smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#CCc1ccc(NC(=O)c2ccoc2)cc1 16235021 AFEAZRLHZUZDRM-UHFFFAOYSA-N 226.235 2.598 30 20 BFED CCN(Cc1ccccc1)C[C@@H](C)C#N 31945877 YSSOSSFVDDNUIZ-LBPRGKRZSA-N 202.301 2.668 30 20 BFED CCCN(C)Cc1ccc(C#N)cc1F 37098401 FRBKUUDVFNVXQS-UHFFFAOYSA-N 206.264 2.539 30 20 BFED Cc1cc(CNc2ccc(C#N)cc2F)no1 44726186 XJVPUDMVGSBJDH-UHFFFAOYSA-N 231.230 2.606 30 20 BFED CC(C)(C)/C(O)=N/S(=O)(=O)C1CCCCC1 49513805 CDLDVRSHDZBNTM-UHFFFAOYSA-N 247.360 2.652 30 20 BFED CCN(C[C@H](C)C#N)C(=O)C1CCCCCC1 53714579 SCPBYJZEAPXNAN-GFCCVEGCSA-N 236.359 2.965 30 20 BFED CC[C@H](C#N)C(=O)Nc1cnc2ccccc2c1 55142438 SZAKOMBRUXJPFN-SNVBAGLBSA-N 239.278 2.723 30 20 BFED C=C(C)CN(CC)C(=O)Nc1cccnc1 57769347 XXVBMAXXKIUQTC-UHFFFAOYSA-N 219.288 2.512 30 20 BFED C=CCNC(=O)c1cc(C)n(C(C)C)c1C 58061549 VXPXPHGRKQHTKA-UHFFFAOYSA-N 220.316 2.602 30 20 BFED C=C(C)COC(=O)c1ccccc1-n1cccn1 61293019 QOBCNIOAKPILCO-UHFFFAOYSA-N 242.278 2.605 30 20 BFED C=CCN(CC=C)Cc1cccc(O)c1 62183937 HDSOOGIAIRRDDS-UHFFFAOYSA-N 203.285 2.566 30 20 BFED CC(C)c1nc(CN[C@@H](C)CC#N)cs1 67407322 JXXMCOHXHDHWHK-VIFPVBQESA-N 223.345 2.658 30 20 BFED C=CCOc1ccc(Cl)cc1[N+](=O)[O-] 71816571 LVSFQMIOJDQHHZ-UHFFFAOYSA-N 213.620 2.813 30 20 BFED C=CCOc1ccc(C(=O)OC)cc1Cl 71816572 MUSKTDHSNAQYFW-UHFFFAOYSA-N 226.659 2.691 30 20 BFED C=C(Cl)CN[C@](C)(CO)C1CCCCC1 77656036 IYFLPNLMTWWSRY-GFCCVEGCSA-N 231.767 2.660 30 20 BFED C=CCOc1ccc(OC(=O)CCC)cc1 79675966 JDLYRYFJZPBLNH-UHFFFAOYSA-N 220.268 2.957 30 20 BFED C#Cc1cccc(NC[C@@H]2CCCOC2)c1 82580264 HBRAMTLLMGCLIO-ZDUSSCGKSA-N 215.296 2.506 30 20 BFED COCCCSCCC(C)(C)C#N 83640642 GCRWRACKEUSVPJ-UHFFFAOYSA-N 201.335 2.696 30 20 BFED C=CCOc1ccccc1CN[C@H](C)CCOC 83941578 KHWCJBOZDMUBPH-CYBMUJFWSA-N 249.354 2.766 30 20 BFED C=CCCOc1cc(F)ccc1[N+](=O)[O-] 84437889 PZZFPZGUYMUAHF-UHFFFAOYSA-N 211.192 2.689 30 20 BFED C[C@H](CC(=O)O)SCCCC(C)(C)C#N 85157875 RRGNIWASYMVIEI-SECBINFHSA-N 229.345 2.913 30 20 BFED N#Cc1ccsc1NC(=O)C=C1CCC1 87034926 LVGGHLXQFCSGIJ-UHFFFAOYSA-N 218.281 2.669 30 20 BFED CCCOc1cccc(CN(CC)CC#N)c1 92399018 PKGNZSVFKVJGQH-UHFFFAOYSA-N 232.327 2.821 30 20 BFED C=CCNc1ccccc1C(=O)NCCCC 95584928 ULZACASVIQQGSW-UHFFFAOYSA-N 232.327 2.814 30 20 BFED C=CCCC(=O)Oc1ccc(NC(=O)OC)cc1 102334136 KDNMYGNFJIOMTE-UHFFFAOYSA-N 249.266 2.737 30 20 BFED CN(Cc1cn2ccccc2c1C#N)CC(F)F 103488520 INBBLRUKJHPJNB-UHFFFAOYSA-N 249.264 2.508 30 20 BFED C[C@@H](C#N)NC(=O)[C@H](C)CC1CCCCC1 114320794 ZROLTKKXDVTSKG-MNOVXSKESA-N 222.332 2.621 30 20 BFED C=CC[C@H](C)NC(=O)[C@H](C)OCCC(C)C 116860849 IJLPFMRZHYDTKE-RYUDHWBXSA-N 227.348 2.518 30 20 BFED CC(=O)c1c(C)cc(C)c(CN(C)CC#N)c1C 120771298 NQVUNUNXLSTDNL-UHFFFAOYSA-N 244.338 2.770 30 20 BFED Cn1cc(C(=O)/C=C/c2cc(F)cc(F)c2)cn1 121121173 GZTNHKQDYIBBGL-NSCUHMNNSA-N 248.232 2.594 30 20 BFED C[C@@H](N[C@H]1CCSC1)c1cccc(C#N)c1 122147319 RNEZKDQRQPHBAO-MFKMUULPSA-N 232.352 2.714 30 20 BFED C[C@@H](c1c(F)cccc1F)N(C)CCC#N 122225935 WVLYDSMREPHPIL-VIFPVBQESA-N 224.254 2.871 30 20 BFED CCC(CC)SCC(=O)N(CC)CCC#N 131730467 RLYHOBUKIWBPNM-UHFFFAOYSA-N 242.388 2.670 30 20 BFED C=C[C@@](C)(CC)C(=O)NOCCC(F)(F)F 135221821 GAWABWLRSVPJIE-VIFPVBQESA-N 239.237 2.589 30 20 BFED CC[C@H]1CCc2nc(NC(=O)CC#N)sc2C1 153621336 NWVJIHHCVMEGKD-QMMMGPOBSA-N 249.339 2.510 30 20 BFED C[C@H]1CCC[C@@H](C(=O)Nc2ccc(C#N)cn2)C1 154305899 HLWXQRIIIAAHCH-CMPLNLGQSA-N 243.310 2.718 30 20 BFED C=CCC[C@H](C)N[C@@H](CCCC)C(=O)OC 154553100 HKYYAOLALHDTOI-RYUDHWBXSA-N 227.348 2.663 30 20 BFED C=C[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 157278839 UMXXTFDZALFXJY-ZJUUUORDSA-N 220.272 2.820 30 20 BFED N#Cc1ccc(CN2CCCCCC2)o1 157374402 DWHKIVLOKYBCSW-UHFFFAOYSA-N 204.273 2.527 30 20 BFED COCc1ccc(CNc2cccc(C#N)c2)o1 161155622 UKTNLGXOEWQZFJ-UHFFFAOYSA-N 242.278 2.910 30 20 BFED C=CCCN[C@H](C)c1ccc(OC)cc1OC 163906878 VCEATJISBBTARN-LLVKDONJSA-N 235.327 2.931 30 20 BFED C=C[C@H](C)N[C@H](C)c1cc(F)ccc1O 164624604 CBNKFNRJFHNUIK-DTWKUNHWSA-N 209.264 2.756 30 20 BFED CC[C@H](CC(=O)OCCCC#N)C(C)C 170924485 SNYNDCZDJILOKF-LLVKDONJSA-N 211.305 2.906 30 20 BFED C#CCCCNC(=O)CCc1ccccc1Cl 172933706 ZMXKNUWMEJPMIM-UHFFFAOYSA-N 249.741 2.802 30 20 BFED C#CCCCOC(=O)[C@@H]1CCC[C@@H](C)C1 174052560 CQZVOXZMSSRTRS-VXGBXAGGSA-N 208.301 2.769 30 20 BFED C#CCCCNCc1ccc(F)cc1C 174613514 UEPGXOQONFCDRS-UHFFFAOYSA-N 205.276 2.637 30 20 BFED C=CCCCOC(=O)CSc1ccncc1 177651796 IQKVWBPBDLKHLN-UHFFFAOYSA-N 237.324 2.683 30 20 BFED CCCCCCCC(=O)NCC(C)(C)CCO 177759241 RWAVIJWLKWEFFM-UHFFFAOYSA-N 243.391 2.872 30 20 BFED C=C(C)CN(C)C(=O)CCO[C@@H](C)CC(C)C 180412949 FYYXSOWVKKXMRW-ZDUSSCGKSA-N 241.375 2.862 30 20 BFED CO[C@H](C)CSc1ccccc1C#N 181008276 SSURJGFPSUILKS-SECBINFHSA-N 207.298 2.685 30 20 BFED CC(C)[C@@H](Cc1ccc(F)cc1)NCC#N 181663789 MTKLGWKBTLQXQP-CYBMUJFWSA-N 220.291 2.506 30 20 BFED CCCCN(CCCO)CCCC(C)(C)C#N 182134641 VEFNVWAXEMENKW-UHFFFAOYSA-N 240.391 2.801 30 20 BFED CC[C@H](CC#N)NCC1=Cc2ccccc2OC1 184085193 MBOUCVFPEJKNBH-CQSZACIVSA-N 242.322 2.744 30 20 BFED CC#CCCCC(=O)N[C@@H](C)[C@H](C)CC 185266166 ZSTKSNXRJMENEG-NEPJUHHUSA-N 209.333 2.731 30 20 BFED C=CCC1(C(=O)N2CCC[C@@H](C)C2)CCC1 190275106 VPJYATZANGOMRZ-GFCCVEGCSA-N 221.344 2.991 30 20 BFED C#CCCCC(=O)N(CC)c1cccc(C#C)c1 192273249 JBDWKTQDRASNBH-UHFFFAOYSA-N 239.318 2.824 30 20 BFED C=CCOC(=O)[C@@H](C)c1cccc(OC)c1 193579662 MSVCRLSRUBHDDE-JTQLQIEISA-N 220.268 2.528 30 20 BFED C[C@H](C#N)CNCc1sccc1Cl 194481778 SWJFTQKATGCBIP-SSDOTTSWSA-N 214.721 2.651 30 20 BFED C=CCN(Cc1ccccc1)C(=O)C[C@H](C)OC 195364490 MLBRMSSZCJOIFD-ZDUSSCGKSA-N 247.338 2.626 30 20 BFED C[C@@H]1CCCCN1c1cc(C#N)cc(Cl)n1 215406565 QSHFPPAOSBUEPT-SECBINFHSA-N 235.718 2.985 30 20 BFED CC(C)(CCCO)CNc1ccc(C#N)cc1 221185890 WLWZWUOGLVDOLB-UHFFFAOYSA-N 232.327 2.769 30 20 BFED C#CCCCCNc1c(F)c(F)nc(F)c1F 229738499 JMYWXLHDLGTHTK-UHFFFAOYSA-N 246.207 2.853 30 20 BFED C[C@@H](CO)CSCc1ccc(F)c(C#N)c1 229754294 LIJPOQXMPVQENI-VIFPVBQESA-N 239.315 2.559 30 20 BFED CC[C@](C)(C#N)C(=O)N1CCc2ccc(F)cc21 234083568 CHGPLUYFHIYIMF-CQSZACIVSA-N 246.285 2.655 30 20 BFED N#C[C@@H]1CCC[C@H](NC[C@@H]2Cc3ccccc32)C1 248876132 JNGZNTCYCRRIHH-SNPRPXQTSA-N 240.350 2.998 30 20 BFED CC[C@](C)(C#N)C(=O)N[C@H]1CCCC[C@H]1C 252502755 IXYFQNCVOIROPP-NTZNESFSSA-N 222.332 2.621 30 20 BFED CC[C@H](C)[C@H](O)CNc1cccc(F)c1C#N 264834565 VFILEIXOZGWNJZ-TVQRCGJNSA-N 236.290 2.516 30 20 BFED CSC[C@H](C)Nc1ncc(C#N)cc1Cl 265508718 OOKKXRBYKIVMPB-ZETCQYMHSA-N 241.747 2.770 30 20 BFED C=C(C)CN(CC)c1cncc(Cl)n1 269375190 QNQIGXDBZVVINF-UHFFFAOYSA-N 211.696 2.532 30 20 BFED C#CC[C@H](NC(=O)N[C@H](C)CC)c1ccccc1 270124273 LFIVPLGOTVSQLP-OCCSQVGLSA-N 244.338 2.849 30 20 BFED CCCCCCCCNC(=O)c1c[nH]c(C#N)c1 272048659 XJZVSDPVBHZNBH-UHFFFAOYSA-N 247.342 2.977 30 20 BFED CS[C@H](C(=O)NCCCC#N)c1ccccc1 273056020 RWAJBJUIUYZIKZ-LBPRGKRZSA-N 248.351 2.511 30 20 BFED COc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 274176043 CZIDUFBUSKPROR-TZMCWYRMSA-N 244.338 2.867 30 20 BFED COc1cc(CN(C)C[C@H](C)C#N)ccc1C 278236190 NHJAHTCYLWPWQZ-LLVKDONJSA-N 232.327 2.595 30 20 BFED C=CCC[C@H](C)NC[C@H](O)c1ccc(F)cc1 278590801 YWRGKEHAQHSIGE-FZMZJTMJSA-N 237.318 2.803 30 20 BFED CC[C@@H]1C[C@H]1Nc1ccc(Cl)c(C#N)n1 280710421 HQEKDWTXZMOJNH-VXNVDRBHSA-N 221.691 2.817 30 20 BFED C=CC[C@@H](CC)NCc1cccc(O)c1OC 281230376 LBNQKRGWSUZHBY-GFCCVEGCSA-N 235.327 2.845 30 20 BFED CC[C@@H](CC#N)Nc1c(F)cccc1[N+](=O)[O-] 286788027 JMAJJEUEHXRLFB-QMMMGPOBSA-N 237.234 2.838 30 20 BFED C#C[C@H](C)N[C@@H](C)Cc1ccccc1C 289397493 OEULBJPHLVGBKB-STQMWFEESA-N 201.313 2.537 30 20 BFED C#Cc1ccc(CNCC2(COC)CCC2)cc1 289627394 KGXLGCXTMWPIDE-UHFFFAOYSA-N 243.350 2.574 30 20 BFED C=CCCCCCCNCc1n[nH]cc1C 289768561 IQAUKZDOZIOADN-UHFFFAOYSA-N 221.348 2.944 30 20 BFED N#Cc1ccc(N2CC(C3CCCCC3)C2)nc1 294111531 PELZWQPAEYVPRM-UHFFFAOYSA-N 241.338 2.970 30 20 BFED N#Cc1cccc(C(=O)NCC2=CCCCC2)c1 295753673 HPHGHXTVUFOGTL-UHFFFAOYSA-N 240.306 2.788 30 20 BFED C=CC(C)(C)c1nc([C@](C)(CC)OC)no1 296292230 DCXUPLRLMSTJKT-LBPRGKRZSA-N 224.304 2.805 30 20 BFED Cc1ccnc(NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1C#N 300417585 HZVQOQLNGGLILG-YRRQLQLVSA-N 239.322 2.718 30 20 BFED CCNC(=NCC1(CC(C)C)CCC1)NCC 305031630 RCRSKVDSVPQMNL-UHFFFAOYSA-N 239.407 2.778 30 20 BFED N#Cc1ncn(CCC2CCCCC2)c1C#N 305594919 FUCMNBVONGQNHA-UHFFFAOYSA-N 228.299 2.597 30 20 BFED CC[C@H]1CCCN(c2cc(C#N)nc(C)n2)CC1 308191767 OMFHITUNJHUVNW-LBPRGKRZSA-N 244.342 2.673 30 20 BFED C=CCCCC(=O)OCCCSC 308192136 OXSMAOBOGGABHD-UHFFFAOYSA-N 202.319 2.639 30 20 BFED N#Cc1cnc(NCCC(F)(F)F)c(Cl)c1 309592428 SPNVXRWWRMSSRG-UHFFFAOYSA-N 249.623 2.971 30 20 BFED Cc1ccc(N[C@H]2CC[C@H](C#N)C2)c(C)n1 309816109 AWARURRGJSJPNB-RYUDHWBXSA-N 215.300 2.803 30 20 BFED CSc1ccc(N[C@H]2CC[C@@H](C#N)C2)cn1 309897603 GLLXWKLYGIHYNX-ZJUUUORDSA-N 233.340 2.908 30 20 BFED Cc1nc(N2C[C@H]3CCCC[C@H]3C2)ccc1C#N 310879696 RGLMDTGYSNEZSH-OKILXGFUSA-N 241.338 2.888 30 20 BFED C[C@]1(/C(O)=N/[C@@H]2C=CCCC2)CCC(O)=NC1 328682006 VKEUOOUBKKAYFD-MFKMUULPSA-N 236.315 2.808 30 20 BFED Cc1noc(C2CC2)c1N/C(O)=N/C1CCC1 329810793 QXJWPZRHNMZOLF-UHFFFAOYSA-N 235.287 2.739 30 20 BFED C[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)C1CCC1 332066370 SGDFVEOHSPNKES-HZMBPMFUSA-N 236.359 2.867 30 20 BFED N#C[C@@H]1CC[C@@H](N2CCC3(CCOCC3)CC2)C1 334181178 DVHCFTBBJDNCEA-ZIAGYGMSSA-N 248.370 2.571 30 20 BFED C=C1CCN(C(=O)c2cccc3cc[nH]c23)CC1 334595883 HNEPWLJPCHFSLY-UHFFFAOYSA-N 240.306 2.960 30 20 BFED CCNC(=O)c1sc2ccc(C#N)cc2c1C 335200345 UYRADPGAWKYTFO-UHFFFAOYSA-N 244.319 2.831 30 20 BFED N#CC1(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)CCC1 336154332 YEQZPHQTHVIKKX-RYUDHWBXSA-N 246.354 2.765 30 20 BFED C[C@@H]1CCC(=O)[C@@H](Oc2ccc(C#N)cc2F)C1 336254287 WIWKPZLWHRZEOC-OTYXRUKQSA-N 247.269 2.834 30 20 BFED C[C@H]1CCC[C@H]1NC(=O)N1CCC(CC#N)CC1 336317764 FNLQDTBQKCUIFX-WCQYABFASA-N 249.358 2.510 30 20 BFED COCC1(C)CCN(c2ccc(C#N)cc2)CC1 336362690 TVOJFLPEWYVGLJ-UHFFFAOYSA-N 244.338 2.811 30 20 BFED CC[C@H]1CCCN1C(=O)c1cccc(CC#N)c1 336469992 FUXLIYWYQYXQDX-AWEZNQCLSA-N 242.322 2.767 30 20 BFED C=CCCSC[C@H]1CCC[C@H](O)C1 336646603 CRGXGFNUBRDKOR-QWRGUYRKSA-N 200.347 2.847 30 20 BFED CS[C@@H]1CCC[C@H](N[C@H]2CC[C@H](C#N)C2)C1 336668947 GLKQXBSDXYPWAF-ZDEQEGDKSA-N 238.400 2.942 30 20 BFED CCCCOC1CCN(CCCCC#N)CC1 336708735 JAVPTMHDJFJEGX-UHFFFAOYSA-N 238.375 2.961 30 20 BFED C=CCCCC[C@@H](C)NC[C@@H]1CCOC1 336762729 OLQKNYZOYACGRO-OLZOCXBDSA-N 211.349 2.747 30 20 BFED C=CCOCCN1CCC[C@H]1CC(C)C 338942997 QWKZKQNXWNGEPV-ZDUSSCGKSA-N 211.349 2.700 30 20 BFED CC#CCN(C)[C@H]1CCc2ccc(F)cc21 339763428 MKYOXDJPDHYYAX-AWEZNQCLSA-N 217.287 2.768 30 20 BFED CC(C)c1nccc(=NCC(C)(C)CCC#N)[nH]1 340937316 KLDSHWGRQYOMJZ-UHFFFAOYSA-N 246.358 2.764 30 20 BFED C[C@H]1CCC[C@H](CC(=O)NCCCC#N)C1 342669978 XVCTXQLLQJRZDO-RYUDHWBXSA-N 222.332 2.623 30 20 BFED CCCCN(CCOC)CCC(C)(C)C#N 345742708 SBCKHWDYBJDJDK-UHFFFAOYSA-N 226.364 2.675 30 20 BFED C=CCCC[C@H](C)N1CCC[C@](F)(CO)C1 347361040 WYLFXZFDWZWOBP-QWHCGFSZSA-N 229.339 2.528 30 20 BFED CCC(CC)(OC)c1noc([C@]2(C#N)C[C@H]2C)n1 351128130 XJALRXIKUQVGGI-SKDRFNHKSA-N 249.314 2.532 30 20 BFED C=CCOCc1nc([C@@H](C)SCC)no1 357325725 MZJGWBMWWAXEBZ-MRVPVSSYSA-N 228.317 2.586 30 20 BFED C[C@@H](Cc1ncc[nH]1)OCCCC(C)(C)C#N 360961414 QLYXOTOKITYVIO-NSHDSACASA-N 235.331 2.687 30 20 BFED CCC[C@@H]1C[C@H]1C(=O)Nc1sccc1C#N 361319172 UAUUKVMMTDWEMY-PSASIEDQSA-N 234.324 2.994 30 20 BFED C=CC[C@@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C2)C1 376369080 VHIWMBAEKSAPLQ-AGIUHOORSA-N 236.359 2.783 30 20 BFED N#Cc1ccccc1CN1CC[C@@H](C2CC2)C1 378321633 UDAFJVOAKDGRAQ-OAHLLOKOSA-N 226.323 2.790 30 20 BFED C=C[C@@H](Sc1nc(CC)cs1)C(=O)OC 382954964 PPZJVMRSBZWGJY-MRVPVSSYSA-N 243.353 2.525 30 20 BFED C#C[C@](C)(CC)NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 384221261 SNQNGYNYSTWXPY-RMRHIDDWSA-N 233.355 2.731 30 20 BFED CO[C@@H](C1CC1)[C@@H](C)Nc1ccc(C#N)cc1F 388353058 PGEJRRSZAUPNSF-YMTOWFKASA-N 248.301 2.923 30 20 BFED C=C[C@H](COC)NC[C@@H]1CCC[C@H](C)C1 389874356 KUQZMXZHVZTRKW-YNEHKIRRSA-N 211.349 2.603 30 20 BFED C=CCCC[C@@H](C)NC(=O)c1cccc(F)n1 398034838 ACUMOUBUEWZXHK-SNVBAGLBSA-N 236.290 2.695 30 20 BFED N#CCC1CCN(CCCC2CC2)CC1 406022256 DYQSBJRDKBKIBZ-UHFFFAOYSA-N 206.333 2.802 30 20 BFED CCC[C@H](C#N)N(C)C(=O)CC1CC(F)(F)C1 410835528 OAIAPKUDFGDHJU-SNVBAGLBSA-N 244.285 2.572 30 20 BFED CC#CCOc1cc(Cl)ccc1C(C)=O 416927590 WJUSRNSFOGMZLG-UHFFFAOYSA-N 222.671 2.945 30 20 BFED N#Cc1cccc(NC[C@H]2CC23CC3)c1[N+](=O)[O-] 418971197 AHDSXTVTTLOJQL-SNVBAGLBSA-N 243.266 2.678 30 20 BFED C[C@H]1CC[C@@H](C)N(C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 425605052 CHOBYNBYKQGXDC-QNWHQSFQSA-N 249.358 2.509 30 20 BFED C=CCN(CCC#N)Cc1c[nH]nc1C(C)(C)C 430096329 PGQMKQKEELYAEE-UHFFFAOYSA-N 246.358 2.609 30 20 BFED CC[C@@H](F)CN(C)Cc1cccc(C#N)c1 440701947 CFJHIWIAZIGDGB-CYBMUJFWSA-N 220.291 2.738 30 20 BFED C[C@@H](CC1CCCCC1)NC(=O)[C@@H](C)C#N 446725500 HKCZQAUCJLKQRK-QWRGUYRKSA-N 222.332 2.621 30 20 BFED C=C(C)CCNC(=O)Cc1cccc(Cl)c1 448550419 AMAOJSQMRFCINN-UHFFFAOYSA-N 237.730 2.965 30 20 BFED C=C[C@@H]1OCCC[C@H]1N[C@H](CC)CCC 449546607 CNYURXGTEHVSQF-UPJWGTAASA-N 211.349 2.888 30 20 BFED C=CCC[C@@H](NC(CC)CC)C(=O)OCC 449652763 BNBBRUHYAGYJGR-GFCCVEGCSA-N 227.348 2.663 30 20 BFED CCO[C@@H]1CCCC[C@H]1Nc1ccc(C#N)nc1 450927923 AONPGSNCUQHJLY-ZIAGYGMSSA-N 245.326 2.713 30 20 BFED N#CCSCCCN[C@H]1CCC12CCCC2 451459982 QUEUBLNHJKHUCA-LBPRGKRZSA-N 238.400 2.946 30 20 BFED C=CC(C)(C)CNC(=O)[C@@H]1CCO[C@H](CC)C1 452776106 QDYPFYYJVDKICQ-VXGBXAGGSA-N 239.359 2.520 30 20 BFED C=CCC[C@@H](CO)N[C@H](C)c1cc(C)c(C)o1 453342021 FHUUAOKQSRGIIT-YPMHNXCESA-N 237.343 2.874 30 20 BFED C=C(C)CNC(=O)NCC(C)(C)C1=CCCC1 454825209 AUWXJBQIXDPAJQ-UHFFFAOYSA-N 236.359 2.998 30 20 BFED C=C(CC)CNC(=O)C(C)(C)C1CCOCC1 456810132 DSLFKYLUZOHRAI-UHFFFAOYSA-N 239.359 2.522 30 20 BFED COc1ccccc1CNCC(C)(C)CC#N 459661251 BEKHXRLVNIQEBR-UHFFFAOYSA-N 232.327 2.725 30 20 BFED C=CCCCCNC(=O)c1cnc(C)s1 471699697 BPZSETFKLYOBMV-UHFFFAOYSA-N 224.329 2.538 30 20 BFED C#CCN(CC)C(=O)[C@H]1CCCC[C@H]1CC 490740604 PSQQHSGHYPDODK-OLZOCXBDSA-N 221.344 2.685 30 20 BFED C#C[C@H](C)N(C)CCCCC1CCOCC1 490819369 GRRYRSGURSAHKF-ZDUSSCGKSA-N 223.360 2.537 30 20 BFED C=CCCC(=O)Nc1cccc(NC(=O)OC)c1 490946580 FIQHWPWNBFIEQV-UHFFFAOYSA-N 248.282 2.770 30 20 BFED C#C[C@H](C)N(C)Cc1cc(-c2ccccc2)on1 491071272 IXWLBTGRWPTVNF-LBPRGKRZSA-N 240.306 2.795 30 20 BFED C#C[C@H](C)N(C)C(=O)CCc1ccc(C)cc1C 491362770 VHWUKEUDKAFUTM-AWEZNQCLSA-N 243.350 2.716 30 20 BFED C#C[C@H](NC(=O)N(C)[C@H](C)CCCC)C(C)C 491374399 RFPJGJQNIYNOID-OLZOCXBDSA-N 238.375 2.864 30 20 BFED C#C[C@H](CCC)NC(=O)C(CC=C)CC=C 491526492 ZQFGFZBTGPEZND-CYBMUJFWSA-N 219.328 2.673 30 20 BFED CCC[C@@H](C#N)NC(=O)/C=C/C1CCCC1 493139286 KGZWNGCOOQJJBA-BCPZQOPPSA-N 220.316 2.541 30 20 BFED C=CCOc1ccc(OCC[C@H]2CCNC2)cc1 519545837 WMGONZACQOLKPP-CYBMUJFWSA-N 247.338 2.630 30 20 BFED Cc1ccc(C#N)c(N[C@@H]2C[C@]2(C)OC(C)C)n1 528203203 NOGVIFLXLFFYHV-OCCSQVGLSA-N 245.326 2.630 30 20 BFED C=CCC(C)(C)CNC(=O)CCc1cccnc1 554424434 FFUKOCXBGJFYSF-UHFFFAOYSA-N 246.354 2.733 30 20 BFED C[C@@H]1CCCC[C@H]1CC(=O)N1CC(C)(C#N)C1 561429948 MXQVWFXNFWYFQZ-NEPJUHHUSA-N 234.343 2.575 30 20 BFED CC(C)(C)CCNC(=O)Nc1cccc(C#N)n1 566198831 WDAMKUMICZIFOB-UHFFFAOYSA-N 246.314 2.511 30 20 BFED CC(C)(C#N)NC(=O)c1cccc(C2CC2)c1 568780216 VUKKQZZPMXTVRC-UHFFFAOYSA-N 228.295 2.596 30 20 BFED Cc1cc(C#N)ccc1OCCCCF 572946322 JLTHBPFYWRDXNF-UHFFFAOYSA-N 207.248 2.995 30 20 BFED C[C@@H](CCC#N)N1CCC=C(c2ccccn2)C1 583880486 ZGKGJWUPONNJAB-ZDUSSCGKSA-N 241.338 2.863 30 20 BFED N#CCCCCN1CCC[C@@H]1[C@@H]1CCCOC1 592134940 VEXPIRZRURULGU-ZIAGYGMSSA-N 236.359 2.571 30 20 BFED CC[C@@H](C#N)C(=O)N(C)Cc1cc(C)ccc1F 593657270 CGSWESBWFLPPRN-NSHDSACASA-N 248.301 2.642 30 20 BFED C[C@H]1CCCC[C@]1(C)n1cc(CCC#N)nn1 594653687 XWTIJSUOHPWGFI-AAEUAGOBSA-N 232.331 2.660 30 20 BFED CC(C)=CCCN1CCC[C@H](CC#N)C1 595613838 BJWSZLVLEOPGRM-CYBMUJFWSA-N 206.333 2.968 30 20 BFED COc1ccc(N(C#N)CC2(CC#N)CC2)cc1 596019873 GWEOKYINIAYZKI-UHFFFAOYSA-N 241.294 2.677 30 20 BFED Cc1cnccc1CN1CCC[C@H](CC#N)C1 597177625 QSOCXJAKQHWYSH-CYBMUJFWSA-N 229.327 2.516 30 20 BFED C[C@H]1CN(C(=O)CC2(C#N)CCCCC2)C[C@@H]1C 597319652 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BFED C=CCC1(NC(=O)N=c2cc[nH]cc2)CCCC1 664403610 PGHRJUHWESCYIH-UHFFFAOYSA-N 245.326 2.514 30 20 BFED C=CCCC[C@@H](C)NC(=O)CCCn1ccnc1 678881214 AEXUYPPWIJVCHD-CYBMUJFWSA-N 249.358 2.524 30 20 BFED C=CCN[C@@H](CN1CCCCC1)c1ccccc1 679937954 LCACPKRSZMQVIY-INIZCTEOSA-N 244.382 2.989 30 20 BFED CCC#C[C@@H](C)N1CCC(F)(F)[C@@H](C)C1 685591047 XTAVHAVLSARWNP-WDEREUQCSA-N 215.287 2.765 30 20 BFED C#CC1CCN(C(=O)c2cccc(C)c2C)CC1 692299436 GAQVVIYCHOLFBP-UHFFFAOYSA-N 241.334 2.789 30 20 BFED C#CCCCOC(=O)c1cc2ccccc2n1C 727039628 XVCMJGANZRLEEY-UHFFFAOYSA-N 241.290 2.749 30 20 BFED c1ccc2c(c1)OCCC2=NNC1CCCC1 727652529 QOPNMJDYZQQXMZ-UHFFFAOYSA-N 230.311 2.705 30 20 BFED C[C@@H](C#N)OC(=O)/C=C/Sc1ccccc1 730037241 PNZNUYQWRMJEGW-JARNTUPDSA-N 233.292 2.748 30 20 BFED C(=NN=c1cc[nH]c2ccccc12)c1ccco1 730148115 OKAJWZANNDXKFD-UHFFFAOYSA-N 237.262 2.696 30 20 BFED C[C@@H](CC1CCCC1)C(=O)O[C@H](C)C#N 734051447 COWBZFOLBDQZED-VHSXEESVSA-N 209.289 2.658 30 20 BFED CC(=NNCc1ccccc1)c1cncs1 734746428 ILAWGPGOYWSYHS-UHFFFAOYSA-N 231.324 2.657 30 20 BFED CCCCNN=C1C[C@@H](OCC)C1(C)C 736430151 PHLKBTLNKDKIMJ-LLVKDONJSA-N 212.337 2.567 30 20 BFED Cc1cc(O)c(C=NNC2CCCC2)cc1C 741764346 GFWSRULVDWDNDN-UHFFFAOYSA-N 232.327 2.875 30 20 BFED CC#CCOC(=O)c1c(F)cccc1Cl 744485576 ZSOOYRDYRFWLIA-UHFFFAOYSA-N 226.634 2.659 30 20 BFED CC[C@@H](SC)C(=O)OCc1cccc(C#N)c1 747234186 VAKCIZAEONNNJJ-GFCCVEGCSA-N 249.335 2.743 30 20 BFED Fc1ccc(/C=C/C=NNc2ncccn2)cc1 747751996 UBHVJSHIVFKAKT-YKHSBKEOSA-N 242.257 2.727 30 20 BFED C=C(C)CNC(=S)N1CCC[C@H]1CC(C)C 748592418 KNEUDSGKABVVBB-LBPRGKRZSA-N 240.416 2.948 30 20 BFED C#CCOCCN[C@H](C)c1cc(C)cc(C)c1 753759280 BPYWITZULLZOAT-CQSZACIVSA-N 231.339 2.604 30 20 BFED CC1(C)CC(=NNc2ccccn2)C(C)(C)O1 755881259 SWKWODCRWTZUIB-UHFFFAOYSA-N 233.315 2.827 30 20 BFED CC(C)N(CCF)Cc1ccc(C#N)cc1 759330348 KNNBRCHKCCJPMV-UHFFFAOYSA-N 220.291 2.738 30 20 BFED CCC/C(C)=C\C(=O)Nc1cc(C#N)ccc1O 762817343 HDLVUOORYFVAIP-YFHOEESVSA-N 244.294 2.949 30 20 BFED C=CCC[C@H](CC)N[C@@H](C)Cc1cnccn1 765444551 XSAOSQPGBZFDNU-STQMWFEESA-N 233.359 2.742 30 20 BFED C=C(C)CNC(=S)Nc1cccc(C#N)c1C 769796294 VYJQUDFSLXRAFS-UHFFFAOYSA-N 245.351 2.729 30 20 BFED N#Cc1ccc(C=NOC2CCCC2)cc1 774603224 PLXMBNPAMVGXFS-UHFFFAOYSA-N 214.268 2.851 30 20 BFED CC[C@](C)(NCC#CCOC)c1ccccc1 775388857 SQVSCXLEXBHMMF-HNNXBMFYSA-N 231.339 2.551 30 20 BFED C#CC[C@H](NCc1ccno1)c1ccccc1 775400876 SSTQIRPUKMOGHA-AWEZNQCLSA-N 226.279 2.529 30 20 BFED CC[C@@H]1CCC[C@@H](C=NNC(=S)N(C)C)C1 783841593 DYTZJFLNSUHOKH-GHMZBOCLSA-N 241.404 2.625 30 20 BFED C=C[C@H]1CCCCN1C(=O)C1=C(C)OCCC1 787680301 DKOBPZOAMJXSRK-LBPRGKRZSA-N 235.327 2.638 30 20 BFED CCO[C@@H]1CC(=NN[C@H](C)CC)C1(C)C 790183741 VKFWAYIURATTKY-MWLCHTKSSA-N 212.337 2.566 30 20 BFED CC(C)Cc1ccccc1C(=O)NCCCC#N 790878597 VLVWYVMZUORWGT-UHFFFAOYSA-N 244.338 2.919 30 20 BFED C=CCOC(=O)c1ccc(OC2CC2)cc1OC 791610627 PNLALINLFIIQGA-UHFFFAOYSA-N 248.278 2.579 30 20 BFED C[C@@H]1CC(=NNCC2(C)CCCC2)CCO1 793084368 NCZLOBKMFMREBX-LLVKDONJSA-N 224.348 2.711 30 20 BFED Clc1cccc(NN=CC[C@H]2CCOC2)n1 793175212 RTBOXCNGEHVTPI-VIFPVBQESA-N 239.706 2.559 30 20 BFED C[C@H]1CCCC[C@H]1C=NNc1ncncc1F 793218646 YEWMFQDGVJPSEV-UWVGGRQHSA-N 236.294 2.840 30 20 BFED C=CCC(C)(C)C(=O)OCC[C@@H]1CCCC1=O 796461196 APJCOZBDJPEQPQ-NSHDSACASA-N 238.327 2.891 30 20 BFED N#Cc1ccc(C(=O)OC2CCCCC2)o1 796714357 MIFIHKJCHKHZET-UHFFFAOYSA-N 219.240 2.641 30 20 BFED C=CC[C@@H](CC)NC(=O)N[C@H](C)CCSC 798419096 ZJOYIXXSNHMWRK-GHMZBOCLSA-N 244.404 2.782 30 20 BFED CC[C@@H]1CCC1=NNc1ncncc1Cl 807983351 IWXWWKZPYMOCDI-SSDOTTSWSA-N 224.695 2.718 30 20 BFED C=C(C)CCN1CCc2cc([N+](=O)[O-])ccc21 809187677 JINOELZTVNYDJE-UHFFFAOYSA-N 232.283 2.924 30 20 BFED C#Cc1ccc(CN2CCO[C@H](CCC)C2)cc1 809579408 CANDXPORCKAMMV-MRXNPFEDSA-N 243.350 2.669 30 20 BFED Fc1ccc2c(c1)OCC2=NNCC1CCCC1 814932725 QANDWYCCEVAKKU-UHFFFAOYSA-N 248.301 2.702 30 20 BFED Cl/C=C/CON=C1COc2ccccc21 814933930 FNAHYWAFXZQGHS-ICLKGUNZSA-N 223.659 2.552 30 20 BFED CCC(=NOCCOC(C)C)c1ccco1 814937033 RPJYCFZNJBRGAO-UHFFFAOYSA-N 225.288 2.835 30 20 BFED CC[C@@H](C)CON=CCC(C)(C)C(=O)OC 814939374 ODRSTTDGLZITQK-SNVBAGLBSA-N 229.320 2.624 30 20 BFED C#Cc1cccc(CNC[C@@H](O)CCC(C)C)c1 819356589 HGKDOAHXEMAPLY-INIZCTEOSA-N 245.366 2.555 30 20 BFED CCn1cccc1C=NN[C@@H](C)c1ccncc1 819817532 AHJSJXURPVCRPS-LBPRGKRZSA-N 242.326 2.588 30 20 BFED C=C(C)C(C)(C)C(=O)OCCCCCCO 821447324 FBKHUPNKVINYIC-UHFFFAOYSA-N 228.332 2.685 30 20 BFED C=CCCC(=O)COC(=O)C(C)(C)C(=C)C 821447361 FIIJJORXCNLMRT-UHFFFAOYSA-N 224.300 2.667 30 20 BFED C=C(CC)CNC(=O)c1ccc(C(C)C)nc1O 822013242 XVRHLXGUHFXVTN-UHFFFAOYSA-N 248.326 2.607 30 20 BFED C=C[C@@H](CC)CC(=O)NCc1cnc(C)cc1C 822013369 ZMZWFMMVQXLJBF-ZDUSSCGKSA-N 246.354 2.917 30 20 BFED C#CCN(CC#CC)C(=O)[C@@H]1CCC[C@@H]1CCC 826562558 OUWOSJJQZKOEPB-LSDHHAIUSA-N 245.366 2.688 30 20 BFED C#Cc1cccc(CN[C@H]2CCC2(C)C)c1 834903970 UKOZHDMYRWTKJF-AWEZNQCLSA-N 213.324 2.946 30 20 BFED C[C@@H]1CCC[C@H](C=NN[C@H]2CCOC2(C)C)C1 835017548 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239.706 2.702 30 20 BFED CC[C@@H]1C[C@H](C)CCC1=NN(C)C(=S)NC 841646235 MELOTEQCNZBKGV-NXEZZACHSA-N 241.404 2.625 30 20 BFED CCCON=C1CC[C@H](C(=O)O)C(C)(C)[C@H]1C 842551165 OYGQCZLGVGXILX-VHSXEESVSA-N 241.331 2.926 30 20 BFED C#C[C@H](NC(=O)[C@@H](C)C(C)C)c1ccccc1 843637309 ATIBSLJLRHEXGR-JSGCOSHPSA-N 229.323 2.769 30 20 BFED C#C[C@@H](NC(=O)/C(C)=C/CC)c1ccccc1 843639802 VJCURTNBTOUKFX-BRADTZPFSA-N 227.307 2.833 30 20 BFED CCCC=NNc1cccc(C(=O)O)c1C 844624635 RWBRCWMFZWINSZ-UHFFFAOYSA-N 220.272 2.891 30 20 BFED C#CCSCCNCc1cccc2c1CCC2 845941233 KJQVRZPVYNXVFI-UHFFFAOYSA-N 245.391 2.631 30 20 BFED C#CCCCOC(=O)[C@@H]1CCc2cc(F)ccc21 850270761 XTGPDVASAOZRMM-CQSZACIVSA-N 246.281 2.812 30 20 BFED C#CCn1ccc(CN(CC)CCC2CCC2)n1 851996400 PFVAOWCOVBRXDI-UHFFFAOYSA-N 245.370 2.528 30 20 BFED C#CC1CCC(=NNc2ccccn2)CC1 853268927 MSMULEGUUPRITA-UHFFFAOYSA-N 213.284 2.673 30 20 BFED CO[C@@H]1CCCCC1=NN1CCCC[C@H]1C 853379808 KIFNYWKUNVEGPO-DGCLKSJQSA-N 224.348 2.806 30 20 BFED 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BFED CC[C@@H](C#N)N(CC)C(=O)c1ncoc1C(C)C 1121161428 SQHWIQLTJOYIRP-JTQLQIEISA-N 249.314 2.562 30 20 BFED CC[C@H](C#N)N(CC)C(=O)/C=C1/CC[C@@H](C)C1 1121253265 OUQASIASUCXVSC-BIIGBYBUSA-N 234.343 2.883 30 20 BFED C#C[C@@H](OC(=O)[C@H](F)CC)c1ccc(F)cc1 1122975076 LTUKWIFSVMBMMR-VXGBXAGGSA-N 238.233 2.791 30 20 BFED C=C(Cl)COc1ccc(C=O)c(OC)c1 1318233701 WTNBGHSHXCDDCB-UHFFFAOYSA-N 226.659 2.639 30 20 BFED CC[C@H](C)c1nnc(C2(C#N)CCCC2)o1 1322499144 UNHPDNFCDHBJGK-VIFPVBQESA-N 219.288 2.918 30 20 BFED C#CC[C@@H](NC(=O)NC1(C)CC1)c1ccccc1 1324467044 MYSBYRCKXDIPLL-CYBMUJFWSA-N 242.322 2.603 30 20 BFED CCCC1CCN(c2ccc(C#N)c(N)n2)CC1 1326836794 KLPNQNBDUWPDJT-UHFFFAOYSA-N 244.342 2.552 30 20 BFED CCN(C(=O)/C=C(/C)C(C)(C)C)[C@H](C)C#N 1328827968 OIBMVRZGEZHUQA-HIJJYWJESA-N 222.332 2.739 30 20 BFED C=CCCCCCN(C)C(=O)[C@H](F)CC 1336975020 XNCHOHZHNPPFKE-LLVKDONJSA-N 215.312 2.939 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)/C(C)=C/C 1337552401 WMYYZPXJHJQPSO-JXDHDYMSSA-N 207.317 2.910 30 20 BFED C#Cc1ccc(N2CCC[C@H](CC=C)C2)nc1 1339769731 MGUMWNLIJFAJDJ-AWEZNQCLSA-N 226.323 2.855 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1ccc(NC)nc1 1341687422 SUWUUDUOWZRRTA-JTQLQIEISA-N 233.315 2.664 30 20 BFED CC#CC(=O)Nc1ccc(C(F)(F)F)cc1 1344650038 FOHZLABIFJJRAU-UHFFFAOYSA-N 227.185 2.667 30 20 BFED CCn1ccnc1[C@@H](C#N)C(=O)C1(CC)CCC1 1344875735 YAKUZKUAENIZCL-NSHDSACASA-N 245.326 2.660 30 20 BFED C=C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 1347822444 SPFPWRDMUCPPFR-UHFFFAOYSA-N 248.282 2.760 30 20 BFED C=C[C@@H](C(=O)N[C@@H]1CC12CC2)c1ccccc1 1349952198 WSLODRNDWYMZBK-CHWSQXEVSA-N 227.307 2.625 30 20 BFED C=C(CC)C(=O)N(C)Cc1ccc(N(C)C)cc1 1350841801 JNCBEYCJMDGNEJ-UHFFFAOYSA-N 246.354 2.677 30 20 BFED Cc1cc(C#N)nc([C@@H](C)c2ccccc2)n1 1898208087 JIEACBNOMABCPG-NSHDSACASA-N 223.279 2.809 30 20 BFED C=CCSCC(=O)N[C@H](C)c1ccccc1 44254677 FECUNINCYJLXDV-LLVKDONJSA-N 235.352 2.783 30 20 BFED C=CCOC(=O)c1ccc(NC(=O)OCC)cc1 48867931 OVXFDWCBOQYUOW-UHFFFAOYSA-N 249.266 2.598 30 20 BFED CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(CC#N)c1 57306650 PNAGPKRWJCENJJ-VXGBXAGGSA-N 244.338 2.917 30 20 BFED C=CCCOc1ccc(C(=O)O)c(Cl)c1 61848471 NBDHFBRJZPLRJA-UHFFFAOYSA-N 226.659 2.993 30 20 BFED CC(C)CCC(=O)N(C)c1ccc(C#N)cc1 61954748 OMAPNHVANHULSI-UHFFFAOYSA-N 230.311 2.957 30 20 BFED C=CCN(CC=C)Cc1nc(CCC(C)C)no1 64508365 YMBFKBQGFIQBKK-UHFFFAOYSA-N 249.358 2.832 30 20 BFED CCCc1ccc(C(=O)N(C)C[C@H](C)C#N)cc1 68081061 WNQHYSLMIMJJJL-GFCCVEGCSA-N 244.338 2.871 30 20 BFED CCC[C@@H](C)N(C)C(=O)Cc1ccc(C#N)cc1 70158830 ANYWPWMJQYAJCX-GFCCVEGCSA-N 244.338 2.748 30 20 BFED C=CCCOc1ccc(NC(=O)C2CC2)cc1 77238948 VSTCXZYNEHOEOD-UHFFFAOYSA-N 231.295 2.990 30 20 BFED C=CCCCN1CCNc2ccccc21 79554016 YDLLQKNTENQOLI-UHFFFAOYSA-N 202.301 2.885 30 20 BFED C[C@H](NCc1cc[nH]c1)c1ccc(C#N)cc1 80773509 CCMZHRSQWOBDHV-NSHDSACASA-N 225.295 2.737 30 20 BFED CC[C@H](C)C[C@H](C)NC(=O)c1ccc(C#N)cn1 88301504 CLOPEALHCPWKLI-QWRGUYRKSA-N 245.326 2.508 30 20 BFED C=CCC[C@H](C)OC(=O)c1cc(C2CC2)[nH]n1 89312303 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BFED Cc1cc(C)cc(CO/N=C(\N)C(C)C)c1 133629574 HOQXXLKVJKBKKN-UHFFFAOYSA-N 220.316 2.748 30 20 BFED CN(CCC#N)CCCCC(F)(F)F 155249150 FTTDODUGQYNLMM-UHFFFAOYSA-N 208.227 2.564 30 20 BFED C#CCCCCNC(=O)c1cscc1C 156563312 KBGHGDVAGOAPAU-UHFFFAOYSA-N 221.325 2.590 30 20 BFED C=C[C@@H](C)N[C@@H](C)c1cccc(OC)c1 157242711 UBDGNBSDWOBGAB-MNOVXSKESA-N 205.301 2.920 30 20 BFED CCCCCCCC(=O)OCCOC 166249902 RPUOMEMGFWBRFO-UHFFFAOYSA-N 202.294 2.537 30 20 BFED CC(C)[C@@H](C)C(=O)OCc1ccc(C#N)cc1 172186198 UMAMVUSDYUUMQA-LLVKDONJSA-N 231.295 2.894 30 20 BFED C#CCCCNC(=O)N(C)C1CCC(C)CC1 173316704 VRUSSNVGHTVCOX-UHFFFAOYSA-N 236.359 2.620 30 20 BFED N#Cc1ccccc1CSCCn1cccn1 176843347 UUZRQSCIKVAHNG-UHFFFAOYSA-N 243.335 2.688 30 20 BFED Cc1c(C(=O)/C=C/c2ccccc2)cnn1C 179859306 ZQORRPNNAHFCFE-CMDGGOBGSA-N 226.279 2.625 30 20 BFED C=CCCOCCN[C@@H](C)c1cccc(C#N)c1 182079492 MZBIRUZAMKSXCN-ZDUSSCGKSA-N 244.338 2.802 30 20 BFED N#C[C@@H]1CCC[C@@H](N[C@@H]2CCC[C@H]3OCC[C@H]23)C1 185715056 DNQFFUWDJQMWKU-KJWHEZOQSA-N 248.370 2.616 30 20 BFED CCN(C[C@H](C)C#N)C(=O)C[C@@H]1CCC[C@@H]1C 185922939 VOSMMISFGRZMRL-AGIUHOORSA-N 236.359 2.821 30 20 BFED N#CCc1ccc(NCc2ccc(F)nc2)cc1 189000384 UXRJJJFDAMRDCW-UHFFFAOYSA-N 241.269 2.899 30 20 BFED C[C@H]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC1 191041614 VCFMSWIQYRBSEL-CMPLNLGQSA-N 245.326 2.585 30 20 BFED C#CCCCC(=O)NCC(C)(C)C(C)C 192179837 XBLRBUIZKCRZFR-UHFFFAOYSA-N 209.333 2.588 30 20 BFED C=CC[C@@H](C)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 194102580 FKXWCBBEOLFTGV-AAVRWANBSA-N 235.371 2.888 30 20 BFED C=CCCC[C@H](C)NCc1cnn(C=C)c1 194410169 BIZDBOCWFFXBHG-LBPRGKRZSA-N 219.332 2.818 30 20 BFED N#Cc1ccc(N[C@@H]2CCN3CCCC[C@@H]23)cc1 217362411 LISRLPZTBWNBLG-CABCVRRESA-N 241.338 2.597 30 20 BFED CO[C@@H](C)CNc1nc2ccccc2cc1C#N 224221134 CESGLCKXVNEPIF-JTQLQIEISA-N 241.294 2.553 30 20 BFED CC(C)(C#N)CCCN1CCC[C@@](C)(O)CC1 230352625 NIYRPFGTEXQHEX-CQSZACIVSA-N 238.375 2.553 30 20 BFED C#CCCCNCc1cc(Cl)ccc1OC 230705751 LVXHHQXDYLEZTH-UHFFFAOYSA-N 237.730 2.852 30 20 BFED CCCCCNCc1ccc(C#N)c(OC)c1 232960344 GNCAHYIYQCALBI-UHFFFAOYSA-N 232.327 2.847 30 20 BFED CCS[C@H]1CCC[C@H]1NCCCC#N 233842177 XRQQRKZBARBPDS-MNOVXSKESA-N 212.362 2.554 30 20 BFED C=CCSc1ncn(-c2ccccc2)n1 249692470 MRBADYSBCINQTQ-UHFFFAOYSA-N 217.297 2.545 30 20 BFED C=CCCCN1CC[C@@H](C)[C@H](n2ccnc2)C1 271293461 NGVDPJHMRQUAFA-ZIAGYGMSSA-N 233.359 2.732 30 20 BFED C#CC[C@@H](NCC(F)(F)F)c1ccccc1 271648307 APYUNZZOWJSYTM-LLVKDONJSA-N 227.229 2.903 30 20 BFED C=C(C)[C@H]1OCC[C@@H]1CNc1cccc(C)n1 280821101 UWFWLBXCWAYWSI-TZMCWYRMSA-N 232.327 2.783 30 20 BFED CC#CC(=O)Nc1ccc(O[C@H](C)CC)cc1 283215653 NVZWDELKWAOECI-LLVKDONJSA-N 231.295 2.826 30 20 BFED CC(C)(C)NC(=O)c1cc(C#N)ccc1Cl 285470242 NTEVCJPMCOEJDT-UHFFFAOYSA-N 236.702 2.740 30 20 BFED CCCCNC(=O)c1cc(C#N)ccc1Cl 286104796 LFDYABRMIWFRBE-UHFFFAOYSA-N 236.702 2.742 30 20 BFED C[C@@H]1CCN(c2cc(C#N)ccn2)CC12CCC2 286650450 XTGBGFGBAQTUHG-GFCCVEGCSA-N 241.338 2.970 30 20 BFED C=C(CNC(=O)CO[C@@H](C)CC)c1ccccc1 286747505 OIRHSVRDKFHCTM-ZDUSSCGKSA-N 247.338 2.631 30 20 BFED C=C(C)CN(CC)C(=O)NCCSC(C)C 287993844 KTFRIPJLOJKLIA-UHFFFAOYSA-N 244.404 2.736 30 20 BFED C[C@H](NCc1ccc(C#N)s1)C(F)(F)F 288539652 WOAHCSQGQOHTTP-LURJTMIESA-N 234.246 2.660 30 20 BFED N#Cc1cc(F)cc(OCC[C@@H]2CCCO2)c1 289799892 YHYKRXOJOFRCCN-LBPRGKRZSA-N 235.258 2.645 30 20 BFED C=C[C@H](CO)N[C@@H](CC)c1ccc(Cl)cc1 289882124 SCTOIFGKPWBITP-OLZOCXBDSA-N 239.746 2.928 30 20 BFED C=CCC(C)(C)CNC(=O)[C@@H]1CCCS1 294299415 QSVSWZJORKLAPW-JTQLQIEISA-N 227.373 2.601 30 20 BFED CC[C@H](N[C@H](C)c1cccc(C#N)c1)C(C)(C)O 295114087 XQVQZYUEMGSLEP-RISCZKNCSA-N 246.354 2.758 30 20 BFED CCN(CC#N)[C@@H](C)c1ccc(F)cc1F 299450180 ZAMPDSGBJYWUIQ-VIFPVBQESA-N 224.254 2.871 30 20 BFED C#C[C@H](Nc1nc(CCC)ns1)C(C)C 300838610 CWRVKPALFOJNQR-VIFPVBQESA-N 223.345 2.560 30 20 BFED CCC(CC)Sc1ccc(C#N)nn1 302007598 UTYKXWJYIXQJOC-UHFFFAOYSA-N 207.302 2.629 30 20 BFED Cc1cc(Cl)ccc1NCCO[C@H](C)C#N 304279939 XCWQFFHZHIQVDF-SNVBAGLBSA-N 238.718 2.989 30 20 BFED CC[C@H](C)CN(C)c1cc(C)nc(C#N)c1 308270549 JNLUKOBXWVJSNA-JTQLQIEISA-N 217.316 2.744 30 20 BFED C=CCCCCNCc1ccc(CO)cc1 309241120 WTYORAJHKHLRGW-UHFFFAOYSA-N 219.328 2.625 30 20 BFED C=C[C@H](COC)N[C@@H]1CCC(C)(C)C[C@H]1C 309626173 GLLRSQMNPHELCW-JHJVBQTASA-N 225.376 2.992 30 20 BFED C=CCCC[C@H](C)NCc1c(C)cnn1C 309806830 XVEDMRGIDGCILF-LBPRGKRZSA-N 221.348 2.563 30 20 BFED C[C@@H]1CC[C@H](Nc2cc(C#N)ncn2)C[C@H]1C 310139395 BXFYSIQEMLQZOG-MXWKQRLJSA-N 230.315 2.585 30 20 BFED CC[C@H](O)[C@@H](CC)Nc1cccc(F)c1C#N 313090923 HRZMMIZKPBOTKW-YPMHNXCESA-N 236.290 2.659 30 20 BFED CC[C@H]1CC[C@H](C(O)=Nc2ncc(C)o2)O1 329784724 WHUYPWDJVIDGAN-DTWKUNHWSA-N 224.260 2.529 30 20 BFED CC1=C(/C(O)=N/Cc2nnc(C3CC3)o2)CCC1 330007391 FUVAKLLFWVGDBU-UHFFFAOYSA-N 247.298 2.904 30 20 BFED Cc1cncc(/C(O)=N/CCOC2CCCC2)c1 330925333 USHSCOBIRHIMEO-UHFFFAOYSA-N 248.326 2.654 30 20 BFED CCC(CC)C/N=C(/O)c1csc(O)n1 330994565 TXQRXWISFSQEJL-UHFFFAOYSA-N 228.317 2.590 30 20 BFED CCC(CC)[C@H](C)C(=O)N[C@@H](C#N)C(C)C 332444661 FHKSYFMMPQMWIL-JQWIXIFHSA-N 224.348 2.723 30 20 BFED N#Cc1ccc(C(=O)N2CCC3(CCC3)C2)s1 334144091 STVKDWCJPKIDTL-UHFFFAOYSA-N 246.335 2.636 30 20 BFED N#CCc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 334666132 OIBLVRUVNMLGMA-GXTWGEPZSA-N 225.295 2.857 30 20 BFED C[C@@H]1CN(C(=O)C2(C#N)CCC2)CC(C)(C)C1 334993954 GNMNDUCCUYQREY-NSHDSACASA-N 234.343 2.575 30 20 BFED N#Cc1cccc(NC(=O)CC2=CCCCC2)n1 335376309 QSWLZHCMYHXQNL-UHFFFAOYSA-N 241.294 2.782 30 20 BFED N#Cc1ccc(C(=O)NC[C@@H]2CC=CCC2)s1 335411494 DOQHBCVATHEYMD-SNVBAGLBSA-N 246.335 2.706 30 20 BFED CC(C)c1occc1C(=O)N[C@@H]1CC[C@H](C#N)C1 335502691 FMMMJCKLQHMPCJ-WDEREUQCSA-N 246.310 2.825 30 20 BFED N#Cc1cnc(N[C@H]2CC[C@@H](F)C2)c(Cl)c1 335620276 FJWKRFGZCNTVGN-BDAKNGLRSA-N 239.681 2.909 30 20 BFED CC1(C)CCCN(C(=O)C2CCCC2)[C@H]1C#N 335744558 VECVZWBIFOFKGP-LBPRGKRZSA-N 234.343 2.717 30 20 BFED C[C@@H](C(=O)N[C@]1(C#N)CC1(C)C)c1ccsc1 335763232 LCWPCBDMTSLMAQ-RNCFNFMXSA-N 248.351 2.660 30 20 BFED Cc1cnccc1CN1CCC(CC#N)CC1 336229010 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246.354 2.921 30 20 BFED CC[C@H](C)[C@@H](C)C(=O)OCC1(CC#N)CC1 780392016 IAHVDMBOQVYIHA-WDEREUQCSA-N 223.316 2.906 30 20 BFED Cc1ccc2cc(C=NNC3CC3)ccc2n1 783523782 KBQYVUYLKUBMLV-UHFFFAOYSA-N 225.295 2.629 30 20 BFED CO[C@@H](C(=O)OCCCC(C)(C)C#N)C(C)C 784783019 LCUWRTQALHUGRR-LLVKDONJSA-N 241.331 2.531 30 20 BFED CC[C@@H](C)NN=C(C)c1ccc(Cl)cn1 790182576 KSUGBQOJSJRJMR-MRVPVSSYSA-N 225.723 2.847 30 20 BFED C#CCN(Cc1ccc(Cl)cc1OC)C1CC1 796457537 XERKCYJFUCGEOV-UHFFFAOYSA-N 249.741 2.946 30 20 BFED CC[C@@](C)(C#N)C(=O)OC[C@H]1C[C@H]2CC[C@H]1C2 796918983 KKABZAWHDCHVEB-FMSGJZPZSA-N 235.327 2.906 30 20 BFED C=CCOCCOC(=O)C1CCC(C)(C)CC1 797296695 LALZGBHZJXUCMK-UHFFFAOYSA-N 240.343 2.949 30 20 BFED C=CCOCCOC(=O)c1ccc(CC)cc1 797311148 FDPYGOHBVNXQGR-UHFFFAOYSA-N 234.295 2.608 30 20 BFED CC[C@@H]1CC[C@H](C)CC1=NN[C@H]1CCOC1 797403610 SBCIKJCZOYHFRB-TUAOUCFPSA-N 224.348 2.567 30 20 BFED C#Cc1ccc(C(=O)O[C@@H]2CCCC2(C)C)cn1 799485214 QBFUOLZQYLQHRX-CYBMUJFWSA-N 243.306 2.798 30 20 BFED 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C=C1CCC(C(=O)N2CCC[C@@](C)(C#N)C2)CC1 897374573 WSOSZUFRZZEGLX-HNNXBMFYSA-N 246.354 2.885 30 20 BFED CC(C)(C)C(=O)N(O)Cc1ccc(F)cc1 901379344 VMGPFRHKDQWHDS-UHFFFAOYSA-N 225.263 2.590 30 20 BFED CC(C)[C@@H](NCC(C)(C)C#N)c1ccccn1 903102383 XNZACIREZQMBNA-CYBMUJFWSA-N 231.343 2.918 30 20 BFED N#Cc1ccc2c(c1)[C@H](NC/C=C\Cl)CC2 903446604 ZMRLKFMWYSIGCP-WVCAGCIPSA-N 232.714 2.888 30 20 BFED C=CC[S@@](=O)CCCCC(C)(C)C#N 905223784 HTEXSADPSRAXFG-CQSZACIVSA-N 213.346 2.641 30 20 BFED CCCn1ccc(CNC(=O)C#CC(C)(C)C)c1 907685046 COQJMNZYRMRZPQ-UHFFFAOYSA-N 246.354 2.564 30 20 BFED Cc1cc(C)cc(COC(=O)CSCC#N)c1 914684746 VCDFQDWSRPNHKK-UHFFFAOYSA-N 249.335 2.603 30 20 BFED CON=Cc1cc(Cl)ccc1OC(F)F 915958293 XFWIJKNGDWIVFC-UHFFFAOYSA-N 235.617 2.922 30 20 BFED CCCNN=Cc1c(C)[nH]c2ccccc12 915965652 MYBGENCFINASPK-UHFFFAOYSA-N 215.300 2.810 30 20 BFED C=C[C@H](CC)CC(=O)N1C2CCC1CC2 929675341 DFYRMQBTZQFCRG-VOMCLLRMSA-N 207.317 2.742 30 20 BFED N#CCC1(CN[C@@H](c2ccccn2)C2CC2)CC1 932386477 RNQNWSUVEZVADE-CQSZACIVSA-N 241.338 2.816 30 20 BFED C=C[C@H](CC)CC(=O)NC[C@H]1CCCS1 934516147 CPGZFOVRYYULMA-GHMZBOCLSA-N 227.373 2.601 30 20 BFED N#Cc1cccnc1N1CC(c2ccccc2)C1 1167060927 BADVPKWNKUQGFU-UHFFFAOYSA-N 235.290 2.557 30 20 BFED N#C[C@H]1CC[C@@H](NCc2nc3ccccc3o2)C1 1254636153 WNZDTDWZAYNXCW-WDEREUQCSA-N 241.294 2.610 30 20 BFED N#C[C@@H](NC(=O)C1CCC=CCC1)C1CCCC1 1262188274 LUTRKGSBFPMDSH-CQSZACIVSA-N 246.354 2.931 30 20 BFED C=C(C)COC(=O)c1cn(C)cc1C(F)(F)F 1320105124 SDDUDYKIHSMWHY-UHFFFAOYSA-N 247.216 2.777 30 20 BFED C=CC[C@@H](N[C@@H](C)CCC=C(C)C)C(=O)O 1331931538 GSLMOKZNUINZBK-NWDGAFQWSA-N 225.332 2.740 30 20 BFED N#C[C@H](NC(=O)C[C@@H]1C=CCCC1)C1CCCC1 1332253555 CLUIXHQDJMBVTE-OCCSQVGLSA-N 246.354 2.931 30 20 BFED CC(C)(C)C#CC(=O)N1CC[C@H]1C(C)(C)C 1336357091 YEBZRYWNUZITPH-NSHDSACASA-N 221.344 2.683 30 20 BFED CC[C@H](F)C(=O)OCc1ccc(CC#N)cc1 1337475340 SRSXFPWMCBVILO-LBPRGKRZSA-N 235.258 2.544 30 20 BFED C=C(CC)C(=O)NCc1cc(C)cc(Cl)n1 1347033131 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236.359 2.869 30 20 BFED CC[C@@H](C)COc1ccc(C#N)cc1OC 50424542 IOFRIBFQHMARCQ-SNVBAGLBSA-N 219.284 2.992 30 20 BFED C#CCOc1ccccc1CNC[C@H](C)CC 54467696 WHNHOLJXKILVOR-CYBMUJFWSA-N 231.339 2.834 30 20 BFED Cc1ccc(F)c(C(=O)N2CCC[C@@H](C#N)C2)c1 79825469 KSTJMZITQAWKNC-NSHDSACASA-N 246.285 2.510 30 20 BFED Cc1cc2c(NC[C@@H](C)C#N)ncnc2s1 90100307 FSRNOOBWWMTVDN-ZETCQYMHSA-N 232.312 2.571 30 20 BFED C=CCCC(=O)Nc1ccnn1C(C)(C)C 102237769 ZEMYRUYTSRNJSM-UHFFFAOYSA-N 221.304 2.543 30 20 BFED CCN(CCC#N)C(=O)/C=C(/C)c1ccccc1 103210189 XGFVRQMMSALHRB-SEYXRHQNSA-N 242.322 2.852 30 20 BFED C=CCCOC(=O)c1cc(F)ccc1C 103649085 MBNJJIYPOKIDGQ-UHFFFAOYSA-N 208.232 2.867 30 20 BFED CC(C)CCc1nc(CN(C)CC#N)cs1 104959453 XYTHAOBIZFQLKK-UHFFFAOYSA-N 237.372 2.687 30 20 BFED N#Cc1cc(F)c(NCc2ccccn2)c(F)c1 111140926 NTMFOWXTQQVPEC-UHFFFAOYSA-N 245.232 2.844 30 20 BFED C/C=C/C=C/C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 116810243 UCHLZDKREVYVPV-UHVBVUEQSA-N 232.327 2.707 30 20 BFED Cc1cncc(NCc2cc(C#N)cs2)c1 119603370 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135165193 QZIUERBAFKBGLX-UHFFFAOYSA-N 248.326 2.590 30 20 BFED C=CCCSCC(=O)Nc1cccc(C#N)c1 151985313 KOAVDZBVZVWGIC-UHFFFAOYSA-N 246.335 2.806 30 20 BFED C=C(C)CNC(=O)c1cccc(Cl)c1 153424929 BNECYWMFAGSTQW-UHFFFAOYSA-N 209.676 2.646 30 20 BFED Oc1ccccc1/C=N/[C@@H]1CCO[C@@H](C2CC2)C1 154227186 JWHRJPMTPMWJAR-VFBOHGMLSA-N 245.322 2.769 30 20 BFED CCO[C@@H](C)c1nccn1CCCCC#N 155466029 KRXOMAXZEXFREE-NSHDSACASA-N 221.304 2.674 30 20 BFED C=CCN(C)C(=O)Nc1cccc(C)c1F 157734026 NHQPGWVQQJPKOD-UHFFFAOYSA-N 222.263 2.784 30 20 BFED C=CCCNCc1ccc(OC)c(OCC)c1 161720847 ISQGPTNHHBZHIM-UHFFFAOYSA-N 235.327 2.760 30 20 BFED C#CCCOC(=O)[C@@H]1CCCC(C)(C)C1 179387667 ZFVZVNLQLFCFPJ-LLVKDONJSA-N 208.301 2.769 30 20 BFED C/C(=N\OCCCO)c1cc2ccccc2o1 182967502 DGYZAJXDAJLDDG-GXDHUFHOSA-N 233.267 2.556 30 20 BFED CCC[C@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 183030274 ZGOKNIQXFDGVKW-ZDUSSCGKSA-N 245.326 2.681 30 20 BFED CC[C@H](CO)/N=C/c1c(O)ccc2ccccc12 183385799 CNMMWOSMQVVAAF-GFQQVXNGSA-N 243.306 2.735 30 20 BFED C=CCN1C[C@H](C)Oc2c(F)cccc21 185976886 LPUBVAYLACLNPZ-VIFPVBQESA-N 207.248 2.599 30 20 BFED C=C[C@](C)(CCOC)C(=O)Nc1ccccc1O 187398036 PQHWIRNYDZOUTE-CQSZACIVSA-N 249.310 2.560 30 20 BFED C=CCNC(=O)c1ccc(C(F)(F)F)c(F)c1 188089999 YXJWNIWGVKJIBI-UHFFFAOYSA-N 247.191 2.760 30 20 BFED C=CCC(CC=C)C(=O)NCC(C)(C)OCC 189664313 ACFSNDYDGXIZRN-UHFFFAOYSA-N 239.359 2.686 30 20 BFED CC(C)CCN(CCC#N)C[C@@H]1CC[C@@H](C)O1 190629043 INCCBFZWXRAWNX-KGLIPLIRSA-N 238.375 2.816 30 20 BFED C=C(C)[C@H](NC[C@H](C)O)c1ccc(F)c(F)c1 192806480 KUEGYXQGKXUNAJ-ZANVPECISA-N 241.281 2.552 30 20 BFED C[C@H](CC(F)(F)F)NCc1ccc(C#N)cc1 222044696 GEMWNKZVHDTHFR-SECBINFHSA-N 242.244 2.989 30 20 BFED CC(C)CN(C)Cc1cccc(C#N)c1F 223526981 PVJWIIOACOFBRS-UHFFFAOYSA-N 220.291 2.785 30 20 BFED CC(C)OCCCCNc1cc(C#N)ccn1 225318791 VKMIIKKMMKPDMI-UHFFFAOYSA-N 233.315 2.570 30 20 BFED C[C@@H](Cc1ccc(Cl)cc1)NCCC#N 225683938 HNYOOHUKFXSQTB-JTQLQIEISA-N 222.719 2.774 30 20 BFED Cc1ccc(C#N)cc1OCc1nccs1 227739565 JFUAXKVCPCRTEU-UHFFFAOYSA-N 230.292 2.902 30 20 BFED N#Cc1ccc(NC[C@@H]2CCC[C@@H](O)C2)cc1 230908407 NKPFAGXTFRTDQB-TZMCWYRMSA-N 230.311 2.521 30 20 BFED CCC[C@@H]1C[C@H]1Nc1nnc(C)c(C)c1C#N 231662105 SNMRAWCWQWUYDK-ZYHUDNBSSA-N 230.315 2.566 30 20 BFED CC[C@@H](C)C[C@H](C)Nc1nccc(C#N)n1 231902930 PZZPKADSEJCOCM-ZJUUUORDSA-N 218.304 2.585 30 20 BFED C#C[C@H](CCC)NC(=O)C(C)(C)c1ccccc1 233356930 IALJRWGETAHGEW-CQSZACIVSA-N 243.350 2.882 30 20 BFED C#C[C@@H](CC)NC(=O)C12CC3CC(CC(C3)C1)C2 233903981 UIRPTAAUPVOYOA-IXUJDMMCSA-N 245.366 2.731 30 20 BFED N#C[C@@H]1CCC[C@H]1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 250672057 VDTVVMHGCCWMOL-QSLWVIQJSA-N 246.354 2.621 30 20 BFED C[C@@H](CC#N)N(C)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 251472691 DTLJXENGSWMAFR-ZDEQEGDKSA-N 234.343 2.573 30 20 BFED C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)cc2)CC1 252960574 NJUQNUKEYGXQNU-YEORSEQZSA-N 242.322 2.867 30 20 BFED C[C@H]1CCCN(Cc2cc(C#N)n(C)c2)[C@H]1C 253351023 ODDQBPBRGDGMOO-RYUDHWBXSA-N 231.343 2.517 30 20 BFED Cc1ccc(CCNC(=O)C(C)(C)C#N)cc1C 258996750 QQNOLFSCYNBJLD-UHFFFAOYSA-N 244.338 2.512 30 20 BFED CCC[C@H]1CCCC[C@H]1C/N=C(\N)N1CCC1 263108571 KWUHHIVFWMEOSL-STQMWFEESA-N 237.391 2.613 30 20 BFED C=CCCC(=O)Nc1ccccc1COC 263716365 XFAJYAZKBHTGRE-UHFFFAOYSA-N 219.284 2.738 30 20 BFED C=C1CCN(C(=O)c2cccc(CC#N)c2)CC1 264457280 GACVJVCRTNDOJV-UHFFFAOYSA-N 240.306 2.545 30 20 BFED C#CCN(CC)C(=O)c1cc(C)c(F)c(C)c1 270678350 RWSQDYWPVSPARI-UHFFFAOYSA-N 233.286 2.538 30 20 BFED Cc1cccnc1CN1CCc2ccc(C#N)cc21 271413931 WTBDWBHESYGZTI-UHFFFAOYSA-N 249.317 2.824 30 20 BFED C=CCN(CCCCOC)CCc1ccco1 272222088 CGJLHNLHEBROCN-UHFFFAOYSA-N 237.343 2.737 30 20 BFED C[C@H](NCCCC#N)c1cccnc1Cl 273186228 FXMPCXQWCCFMGV-VIFPVBQESA-N 223.707 2.689 30 20 BFED CC(C)(C#N)CCSCCn1cccn1 276635939 QZLQZJFISVHZGI-UHFFFAOYSA-N 223.345 2.556 30 20 BFED C=CCN(C(=O)Cc1ccccc1CC)C1CC1 276947555 QFCGOSRJSVXBTK-UHFFFAOYSA-N 243.350 2.969 30 20 BFED CCCc1nnc(S[C@@H]2CC[C@@H](C#N)C2)o1 278586250 PKKQMWPWYJBICZ-RKDXNWHRSA-N 237.328 2.806 30 20 BFED C=CCn1c(C2CC2)nnc1N(C)CCCC 282325430 QLKSASAKNARAKC-UHFFFAOYSA-N 234.347 2.578 30 20 BFED C[C@@H](NCCC1(O)CCC1)c1cccc(C#N)c1 283762896 BCPSURKNQZQXIM-GFCCVEGCSA-N 244.338 2.514 30 20 BFED C[C@@H](NCCCCC#N)c1c(F)cncc1F 285592287 ITLVPBIHFSGKRT-SECBINFHSA-N 239.269 2.704 30 20 BFED CS[C@H]1CCCCN(c2ccnc(C#N)c2)C1 286128397 HEKWBTCUDQVPEK-ZDUSSCGKSA-N 247.367 2.675 30 20 BFED CO[C@H](C)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 290293014 YEIRTMGIXODUIA-GRYCIOLGSA-N 232.327 2.632 30 20 BFED N#Cc1ncccc1NC[C@@H]1CCCSC1 291219128 VWOWEZBJQVSELB-JTQLQIEISA-N 233.340 2.508 30 20 BFED CC#CCN(C)C(=O)c1cccc(OCCC)c1 294623021 RLCVBIZMFMTMJN-UHFFFAOYSA-N 245.322 2.571 30 20 BFED C#CCCCCNCc1ccc(C(C)(C)O)cc1 295434878 OIERXGYRFMYGOW-UHFFFAOYSA-N 245.366 2.807 30 20 BFED C=CC[C@H](C)N[C@H](C)c1nccn1CC 296736266 JEEAXQMBPVSMBE-WDEREUQCSA-N 207.321 2.518 30 20 BFED CC(=O)c1cccc(CN2CCC(C#N)CC2)c1 297190804 QQMNFHSEZQTGGU-UHFFFAOYSA-N 242.322 2.625 30 20 BFED CC[C@H](C)NC(=O)Nc1ccc(CC#N)cc1 298455352 JFHMOIJMOOVHPE-JTQLQIEISA-N 231.299 2.673 30 20 BFED C[C@@H](CCC#N)N1CCC(c2ccncc2)CC1 298587604 RKOXVORAXYTEHM-ZDUSSCGKSA-N 243.354 2.953 30 20 BFED O=C(NO)c1cc2cc(Cl)ccc2s1 299870609 WOXSBFCKYDRLJG-UHFFFAOYSA-N 227.672 2.674 30 20 BFED C#C[C@@H](Nc1ncnc2sccc12)C(C)C 300887204 JLTZNKFLROVYEI-SNVBAGLBSA-N 231.324 2.761 30 20 BFED C=C(C)CN(C)c1ncnc2cccc(C)c12 302033057 KVMIXIUVYGYGGX-UHFFFAOYSA-N 227.311 2.951 30 20 BFED CC[C@H](C)N/C(N)=N/C[C@@H](C)c1ccc(C)cc1 304277015 JMDVXGODSZDHKR-OLZOCXBDSA-N 247.386 2.801 30 20 BFED C=C(Br)CNC(=O)C1(CCC)CC1 308228408 RRDITWXCLMPDSU-UHFFFAOYSA-N 246.148 2.592 30 20 BFED C=CC[C@H](CO)CNCc1cc(Cl)cs1 308924978 KGFHDBLMCDNRTM-VIFPVBQESA-N 245.775 2.676 30 20 BFED CSc1ccc(N[C@H]2CC[C@H](C#N)C2)cn1 309897599 GLLXWKLYGIHYNX-UWVGGRQHSA-N 233.340 2.908 30 20 BFED C=CCC[C@@H](CO)NC[C@@H](C)C(C)(C)C 320589030 YVZXPNYLZWUFNW-NEPJUHHUSA-N 213.365 2.585 30 20 BFED CC1=C(/C(O)=N/[C@H](C#N)C2CC2)CCC1 329017679 RETOYRQIXHLBMR-LLVKDONJSA-N 204.273 2.745 30 20 BFED CCCC1(C(O)=Nc2nnc3n2CCCC3)CC1 329266386 CUKYVMSEVGSBTL-UHFFFAOYSA-N 248.330 2.783 30 20 BFED Cc1cnc(C/N=C(/O)[C@@H]2CCCSC2)o1 329449377 CGRJNSYZVOXGQE-SECBINFHSA-N 240.328 2.583 30 20 BFED CC1(C/N=C(/O)C[C@@H]2CCCC(O)=N2)CC1 329563439 NLWDWAPKCFUTHF-VIFPVBQESA-N 224.304 2.642 30 20 BFED CC1(C)C[C@]1(C#N)/N=C(/O)[C@@H]1CCCSC1 330081248 AEERMQXUDPWPII-BXKDBHETSA-N 238.356 2.778 30 20 BFED CC1(C)CC[C@H]1NC(=O)N[C@H]1CC[C@@H](CC#N)C1 331996615 PGOGFCSNHHICKE-SDDRHHMPSA-N 249.358 2.557 30 20 BFED CC(C)(C#N)CC(=O)N1CCC[C@@H]1C1CCC1 334395615 KCMPJPDVRGLPOH-GFCCVEGCSA-N 234.343 2.717 30 20 BFED C=C(C)C(C)(C)C(=O)N1CCC[C@H](C)C1 335495315 MDDYSYULEDYJRQ-NSHDSACASA-N 209.333 2.847 30 20 BFED N#CCc1ccc(CN2CCC(F)(F)C2)cc1 335989411 HBEZEVLHPDQTNW-UHFFFAOYSA-N 236.265 2.594 30 20 BFED CC1(C)CC[C@H](CN2CCC(CC#N)CC2)O1 336079312 XEFWLAJGIYWHLO-CYBMUJFWSA-N 236.359 2.570 30 20 BFED CC(C)(C)CNC(=O)[C@]1(C#N)CC12CCCC2 336249110 SNOQLNWUDYSCDN-CQSZACIVSA-N 234.343 2.623 30 20 BFED C=C[C@@H](C)NC(=O)c1coc2ccccc12 336509694 KGDOCPZNTRKINM-SECBINFHSA-N 215.252 2.737 30 20 BFED C=C[C@@](C)(CC)C(=O)N1CCCC2(CC2)C1 336598576 WNNVXHQBZMBVDZ-ZDUSSCGKSA-N 221.344 2.991 30 20 BFED C=CCCN1CCC(OCCCC)CC1 338547919 WZWKECQLWFGPHV-UHFFFAOYSA-N 211.349 2.844 30 20 BFED C=C(C)[C@H](CC(=O)NC[C@H]1CC1(C)C)OCC 339372463 UXILIIYFZGGTPL-NEPJUHHUSA-N 239.359 2.520 30 20 BFED CC#CCN(C)CCCCC(F)(F)F 339765083 ZXEXKKLJKZZJGU-UHFFFAOYSA-N 207.239 2.674 30 20 BFED CN(CCC#N)C(=O)C/C=C\c1ccccc1F 340830533 YZZWFGCAHTUDNH-DAXSKMNVSA-N 246.285 2.601 30 20 BFED CO[C@@H]1CCC[C@@H]1CNc1ccc(C#N)cc1F 340946617 HIVOLHSAHWRHCX-BXUZGUMPSA-N 248.301 2.924 30 20 BFED C=C(CC)CS[C@@H](C)c1nc(COC)no1 342564287 XYOIDXDMKPCVRK-VIFPVBQESA-N 242.344 2.976 30 20 BFED CC[C@H](SC)C(=O)NCC(C)(C)CCC#N 345896411 ZRVYKAATYJARIE-JTQLQIEISA-N 242.388 2.574 30 20 BFED C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H]2C[C@H]2C)no1 350142958 MUZAJVXYECDNPG-GWOFURMSSA-N 234.299 2.642 30 20 BFED C=CC[C@H](CC)NC(=O)N[C@@H]1CC[C@@H](C)C1 350461196 MMNOTPGGQQTJFD-GRYCIOLGSA-N 224.348 2.829 30 20 BFED C=CCC(C)(C)CNC(=O)C[C@@H]1CCCCO1 352487525 FVCQEXNRVIEJCI-LBPRGKRZSA-N 239.359 2.664 30 20 BFED CC#CCCNC(=O)[C@H](C)Cc1ccccc1F 353941735 CEQRDRFNGHYTPK-GFCCVEGCSA-N 247.313 2.534 30 20 BFED N#CC1(CSCc2ccc3c(c2)OCO3)CC1 358542569 HAQPSSOEZBEHIH-UHFFFAOYSA-N 247.319 2.952 30 20 BFED C=C[C@H](C)NC(=O)NC[C@@H]1CCc2ccccc21 362371759 UTOBUICTQIBDAQ-AAEUAGOBSA-N 244.338 2.590 30 20 BFED C=C[C@H](C)NC(=O)CCCOc1ccccc1C 362587471 LKGRCJPXUNHVHK-ZDUSSCGKSA-N 247.338 2.845 30 20 BFED N#CCCNc1cc(C#N)ccc1C(F)(F)F 362687895 XLSBUUUJRSPCAI-UHFFFAOYSA-N 239.200 2.903 30 20 BFED CCC(CC)NN=C1CCS[C@@H]1C 378865910 ALBOLDANFSRHBC-MRVPVSSYSA-N 200.351 2.646 30 20 BFED C=C[C@H](COC)N[C@@H](C)CSC(C)(C)C 380212813 ZVPIOYIHMQHKSO-WDEREUQCSA-N 231.405 2.697 30 20 BFED CCCC(C)=NNc1ccc(C(=O)O)cc1 381031071 AJGVQBRIDIIMHZ-UHFFFAOYSA-N 220.272 2.973 30 20 BFED C=C1CCN(Cc2cc(C(=O)O)ccc2F)CC1 382481044 OSXLXFMOTKSNOM-UHFFFAOYSA-N 249.285 2.676 30 20 BFED C=CC(C)(C)CNCc1c(Cl)c(C)nn1C 384828301 DTHSOFFLABTVBO-UHFFFAOYSA-N 241.766 2.684 30 20 BFED C#C[C@](C)(CC)NCCc1ccc(OC)cc1 395130994 FNHKYTFBVGQPEL-OAHLLOKOSA-N 231.339 2.629 30 20 BFED CC(C)Cc1c[nH]c(C(=O)NCCCCC#N)c1 412007704 KGKRJSSZCIPXLH-UHFFFAOYSA-N 247.342 2.637 30 20 BFED CCn1cncc1CN(CCC#N)CCC(C)C 417772083 VUOCBVADILZJDZ-UHFFFAOYSA-N 248.374 2.665 30 20 BFED N#Cc1ccc(NC[C@H]2CC23CC3)c([N+](=O)[O-])c1 418992213 NWARPQYRVAITMH-SNVBAGLBSA-N 243.266 2.678 30 20 BFED C=CC(C)(C)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2 421593615 UNMLZSOVDODTEK-RWMBFGLXSA-N 233.355 2.917 30 20 BFED C=C(C)C(C)(C)C(=O)NCCc1ccco1 424548322 TZXRKQDNNUGHTB-UHFFFAOYSA-N 221.300 2.541 30 20 BFED C=C[C@](C)(CC)C(=O)N1CC[C@@H](OC)C[C@H]1C 441469370 VHHTUSFODWUPJI-YRGRVCCFSA-N 239.359 2.615 30 20 BFED C=C(CC)CSCc1nc(C2CC2)n[nH]1 447033112 DPLZDZVGDPYVBU-UHFFFAOYSA-N 223.345 2.882 30 20 BFED C=C(C)CCNC(=O)CCc1ccc(OC)cc1 448550724 IQHMFVJSSUCKMA-UHFFFAOYSA-N 247.338 2.710 30 20 BFED C=C(C)CN(C)C(=O)[C@H]1CCC[C@H]1CC 450469305 QSGRSEZECLURFJ-NEPJUHHUSA-N 209.333 2.847 30 20 BFED C=C[C@@H]1OCC[C@H]1Nc1ccc(C#N)c(Cl)c1 450751702 BRAGFOWDKMJRQC-OLZOCXBDSA-N 248.713 2.967 30 20 BFED C=C(C)CCNC(=O)[C@@H](OCC)c1ccccc1 452727678 ZGWIKLWSFVGBPC-AWEZNQCLSA-N 247.338 2.847 30 20 BFED C=C(C)CCNC(=O)N[C@H]1CCCC1(C)C 454604549 SLOOGZZORDBBTB-NSHDSACASA-N 224.348 2.831 30 20 BFED C=CCC[C@@H](CO)NC(=O)[C@H](C)C(CC)CC 456769720 QSYJCNFGEUBLKD-YPMHNXCESA-N 241.375 2.502 30 20 BFED C=CC(C)(C)CNC(=O)N(C)[C@H](C)C(C)C 458989305 PGJYRSOBSBOQCL-LLVKDONJSA-N 226.364 2.885 30 20 BFED CC#CCCN(CC)c1ccccc1OC 462320156 WYQQPKCDOXSFCZ-UHFFFAOYSA-N 217.312 2.935 30 20 BFED C#C[C@H](C)N(C)C(=O)/C=C(/C)c1ccc(F)cc1 491691288 DPJPRQWCTMZWOW-WEHUKYGOSA-N 245.297 2.709 30 20 BFED C#C[C@@H](C)N(C)Cc1cc(-c2cccs2)on1 491704875 POXBKTCAGIDUPQ-SNVBAGLBSA-N 246.335 2.857 30 20 BFED CC#CCCNC(=O)CCc1ccc(Cl)cc1 498575604 OIVGZTKBRZQMLR-UHFFFAOYSA-N 249.741 2.802 30 20 BFED C=CC[C@@H](C)NC(=O)Cc1ccc(C)c(C)c1 523960846 KPRGQCLRNRYVKM-CYBMUJFWSA-N 231.339 2.927 30 20 BFED C=C(C)CN(CC)[C@H](CC(C)C)C(=O)OCC 541999973 GDMBLBQECMKRGA-CYBMUJFWSA-N 241.375 2.862 30 20 BFED CCCc1nc(CN[C@H](CC)CC#N)cs1 566428655 JHJPVOCGZZBTHM-SNVBAGLBSA-N 237.372 2.877 30 20 BFED C=CC[C@@H](CC)NC(=O)C(C)(C)C1CC1 568678465 QCQKPWZVJQYVQM-LLVKDONJSA-N 209.333 2.894 30 20 BFED N#Cc1ccc(NC2(CF)CCC2)cc1[N+](=O)[O-] 575984090 LSQQQDGOOTUIOG-UHFFFAOYSA-N 249.245 2.771 30 20 BFED C=CCC[C@H](C)NC[C@H]1CCCCN1C1CC1 578720598 DCIQBJVVEIXNPC-DZGCQCFKSA-N 236.403 2.948 30 20 BFED C=CCC(C)(C)CNS(=O)(=O)[C@H](C)CCC 579722601 MBEWCGDBJHIFML-LLVKDONJSA-N 247.404 2.697 30 20 BFED CC1CCN(C2CCC(NCCC#N)CC2)CC1 581662467 KXVOIJKDBGCMGD-UHFFFAOYSA-N 249.402 2.533 30 20 BFED C=C1CCN(CCc2ccccc2C(=O)O)CC1 583698499 DAYWEVPAUYCFNT-UHFFFAOYSA-N 245.322 2.579 30 20 BFED Cc1oc(C)c(C(=O)N[C@@]2(C#N)CC2(C)C)c1C 589980927 ITRDDJNOMIDMRT-CQSZACIVSA-N 246.310 2.627 30 20 BFED C=C(C)c1ccc2c(c1)[C@H](C(=O)OCC)CO2 592990270 YXTMRPYJMLGNJX-GFCCVEGCSA-N 232.279 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243.350 2.798 30 20 BFED C#CC1CCN(C(=O)C2(CC)CCCC2)CC1 692289846 YZQYYEKFKJXONV-UHFFFAOYSA-N 233.355 2.829 30 20 BFED C#CCCCCNC1CCC(OCC)CC1 701021070 NGDFFSPKAFOEKT-UHFFFAOYSA-N 223.360 2.727 30 20 BFED Cc1cc(C#N)ccc1CN(C)CCCF 716715808 AGYSWFZOFCYKAW-UHFFFAOYSA-N 220.291 2.658 30 20 BFED CCOCC(C)=NNc1ccccc1F 726420382 NZFVHDGYTBABOX-UHFFFAOYSA-N 210.252 2.650 30 20 BFED CC(C)C[C@H](C#N)NC(=O)C=C(C1CC1)C1CC1 726559987 SHVOLHRBOLLPLL-CYBMUJFWSA-N 246.354 2.787 30 20 BFED Clc1cccc(NN=C2CCOC2)c1 731923646 WDUKYOOZQBKXKV-UHFFFAOYSA-N 210.664 2.528 30 20 BFED CCC(CC)NN=Cc1ccc(F)cc1 734365418 ZPRCITSCPFZLMT-UHFFFAOYSA-N 208.280 2.938 30 20 BFED Cc1cccc(COC(=O)C2(C#N)CCC2)c1 736838932 KHAOSMPRRKJNTL-UHFFFAOYSA-N 229.279 2.732 30 20 BFED C=C(C)COC(=O)[C@H](C)c1ccc(C)o1 744040335 HLDGBJSYPGMRAU-SNVBAGLBSA-N 208.257 2.811 30 20 BFED CC[C@](C)(NC(=O)[C@@H](C)C#N)c1ccccc1 746235039 QXKQCKNYGWOMLO-FZMZJTMJSA-N 230.311 2.588 30 20 BFED C=CCCOC(=O)c1ccc(OCCC)c(N)c1 754595837 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FC(F)(F)CNN=Cc1cccc2[nH]ccc12 769822536 PFHGFPDRENQMRS-UHFFFAOYSA-N 241.216 2.654 30 20 BFED N#Cc1cccc(NN=C2CCCOCC2)c1 770597544 XYNAUNYRYTYFFF-UHFFFAOYSA-N 229.283 2.527 30 20 BFED C#C[C@H](C)Nc1nc(C(C)(C)C)ccc1C#N 772275455 GRNAAXZESDCVKM-JTQLQIEISA-N 227.311 2.684 30 20 BFED C#C[C@@H](C)NC(=O)CCCC[C@@H](C)CC 772983102 CKUXCZGFGNKOCW-NWDGAFQWSA-N 209.333 2.731 30 20 BFED C#CCCCCCC(=O)Nc1ncc(C)s1 779726552 XJOUPXYTNKSZEU-UHFFFAOYSA-N 236.340 2.974 30 20 BFED C#CCCCCCC(=O)Nc1c(C)noc1C 779879315 TZPKFISHDHTWST-UHFFFAOYSA-N 234.299 2.814 30 20 BFED C#CCN(CC#CC)Cc1ccccc1SC 781331061 KSSAILGECDGFRV-UHFFFAOYSA-N 243.375 2.867 30 20 BFED C=CCCCCCOC(=O)COC(C)C 783197702 CQIWKPYPOJBWGM-UHFFFAOYSA-N 214.305 2.701 30 20 BFED FC(F)(F)CCON=CCC1CCOCC1 788726908 VXUBRSSYRUXJGF-UHFFFAOYSA-N 239.237 2.758 30 20 BFED CC(C)c1ccc(C(=O)O[C@H](C)C#N)cc1 788985118 VEEPOZWTGLCBND-SNVBAGLBSA-N 217.268 2.879 30 20 BFED C=CCCCC(=O)OCC1(OC)CCCC1 791400538 WISWFYRNMTVQRR-UHFFFAOYSA-N 226.316 2.845 30 20 BFED 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30 20 BFED C=CC[C@H](C(=O)N1C[C@@H]2C[C@H]2C1)c1ccccc1 628514991 AHJDTBPCGNIYSH-KKUMJFAQSA-N 241.334 2.825 30 20 BFED C=C(C)C(C)(C)C(=O)N1Cc2ccc(O)cc2C1 628538230 HKZCJKPFRFPBRT-UHFFFAOYSA-N 245.322 2.837 30 20 BFED C=CCCOc1ccc2c(c1C)OCC2=O 634560737 WKXJKQOMVSIGIP-UHFFFAOYSA-N 218.252 2.525 30 20 BFED C=CC[C@H](C)NC(=O)c1c[nH]cc1C1CC1 639772075 MNZOURYVUIQEGO-VIFPVBQESA-N 218.300 2.587 30 20 BFED C=CCCn1cc(CN2[C@H](C)CC[C@H]2CC)nn1 653596774 LRTWPTPEDFHDAN-TZMCWYRMSA-N 248.374 2.617 30 20 BFED C=CCCNC(=O)NC[C@H](C)c1cccc(C)c1 660728813 VJPJPGCLSCOHJV-ZDUSSCGKSA-N 246.354 2.974 30 20 BFED C=CCCNC(=O)N[C@@H](C)CCC=C(C)C 661262156 KLQTUMHKTDXKIE-LBPRGKRZSA-N 224.348 2.997 30 20 BFED C=CCCCN[C@H](CO)c1ccc(F)cc1F 662164802 HVCVMFBQPVSTAY-CYBMUJFWSA-N 241.281 2.554 30 20 BFED C=C(CC)CNc1cccc(-c2cn(C)nn2)c1 663285862 ZUGPFVVNGFLREV-UHFFFAOYSA-N 242.326 2.860 30 20 BFED COCC#CCSc1ccccc1C 677130449 BZLRDSGINZHCKE-UHFFFAOYSA-N 206.310 2.737 30 20 BFED C=CC[C@H](CC)NC(=O)N[C@@H](C)C1CCC1 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BFED C#C[C@H](CC)Nc1ncnc2cccc(C)c12 752929844 URRFRPVZKPXCAS-LLVKDONJSA-N 225.295 2.762 30 20 BFED C#CC(=O)N[C@H](c1ccccc1F)C1CCCC1 754072084 WSRKTEXIXQQNQR-HNNXBMFYSA-N 245.297 2.806 30 20 BFED CCON=Cc1nc2cc(Cl)ccc2n1C 755627956 MYZWJIBPEASGDC-UHFFFAOYSA-N 237.690 2.597 30 20 BFED COc1ccc(C=NO[C@@H]2CCCCO2)cc1 755822051 KBFUITDEOQKSRH-CYBMUJFWSA-N 235.283 2.572 30 20 BFED CC(=NNC1CC1)c1cc(C)ccc1C 758133128 LOAMRLPFKSLSKN-UHFFFAOYSA-N 202.301 2.779 30 20 BFED C#CCN(C(=O)[C@@H]1CC12CCC2)C1CCCCC1 759759341 LKWVGJFRNNOAPZ-AWEZNQCLSA-N 245.366 2.971 30 20 BFED CC#CCCOC(=O)c1cccc2c1CCC2 760273329 HMHWDOOLLGZIBH-UHFFFAOYSA-N 228.291 2.746 30 20 BFED C=CCCC(=O)COC(=O)C1CCCCC1 761350674 UTOQLBGWTGQAMZ-UHFFFAOYSA-N 224.300 2.645 30 20 BFED Cc1ccc(C=NNc2ccccc2)nc1 761793910 PMDXJWVEUIWOKC-UHFFFAOYSA-N 211.268 2.836 30 20 BFED C#CCCc1noc(-c2sccc2C)n1 762012156 UWILGCZWDZHJPF-UHFFFAOYSA-N 218.281 2.672 30 20 BFED Cc1cc(OC(=O)C2CCC2)ccc1C#N 765095877 ZFTWSQZIHXNOQQ-UHFFFAOYSA-N 215.252 2.572 30 20 BFED CC(C)(C)c1ccc(CC(=O)OCC#N)cc1 767669576 XBKJBHXBRNDWLW-UHFFFAOYSA-N 231.295 2.593 30 20 BFED C#C[C@H](C)N(C)Cc1ccc(F)cc1Cl 769961623 SABAEXWLSRRGHQ-VIFPVBQESA-N 225.694 2.933 30 20 BFED O=C(O)c1cccc(/C=C\C(=O)c2ccco2)c1 774135825 PETCTDWURVOBFI-SREVYHEPSA-N 242.230 2.874 30 20 BFED CC(=O)c1ccc(C(=O)O[C@H](C#N)C(C)(C)C)o1 774201807 IKDZEQSREHEAGG-LLVKDONJSA-N 249.266 2.577 30 20 BFED Clc1ccccc1C=NOC1CCOCC1 774434272 INXHNKVMSFZONG-UHFFFAOYSA-N 239.702 2.870 30 20 BFED C1COC[C@H](NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)C1 780262285 YWPGWIXEGKAERD-KSTCHIGDSA-N 248.370 2.567 30 20 BFED C#CCCCN1CC[C@H](Oc2cccc(F)c2)C1 784495241 IYVMCJMMMFZASB-HNNXBMFYSA-N 247.313 2.692 30 20 BFED C=CCNN=C/C=C\c1ccc(F)c(F)c1 794998976 RACPAOWHXMVUQE-CARDKRKYSA-N 222.238 2.739 30 20 BFED C#CCN(CC#N)CCCCCCCC 799201124 YEIVENQMLLCWBX-UHFFFAOYSA-N 206.333 2.806 30 20 BFED CCc1cccc(C)c1NN=C(C)CCO 799494529 JLGSBHZRKANTEN-UHFFFAOYSA-N 220.316 2.728 30 20 BFED Cc1ccc(C=NN[C@@H]2CCSC2)c(C)c1 807999929 XXSNBAMVLWICHH-CYBMUJFWSA-N 234.368 2.732 30 20 BFED C[C@H]1CCC[C@H](OC(=O)c2cccc(C#N)n2)C1 810547673 FYHSBDMJURMQKA-JQWIXIFHSA-N 244.294 2.689 30 20 BFED C#CCON=C(C)c1ccc(SC)c(OC)c1 812236163 ITMWCOJJNZAMFN-UHFFFAOYSA-N 249.335 2.791 30 20 BFED N#CCCCC(=O)OCc1cc(F)cc(F)c1 812616295 ZQYFBANGSGBOKD-UHFFFAOYSA-N 239.221 2.702 30 20 BFED CC(=NNc1ccc(Cl)nc1)c1c[nH]nc1C 814859339 SMOYRTRCAKAJKP-UHFFFAOYSA-N 249.705 2.603 30 20 BFED C=C(C)C(C)(C)C(=O)NCc1ccccc1O 819398020 OCSMCXGOCASRDS-UHFFFAOYSA-N 233.311 2.611 30 20 BFED CC(C)C#CC(=O)N[C@@H](c1cccs1)C1CC1 820495894 SDZSJQHNIWTXEI-CQSZACIVSA-N 247.363 2.975 30 20 BFED C#C[C@@H](NC(=O)Nc1cc(C)cc(F)c1)C(C)C 821564791 RHXRDKJKZRQQCY-CYBMUJFWSA-N 248.301 2.913 30 20 BFED Cc1ccc(NN=C2C[C@@H](C)n3ccnc32)cc1 834915911 QOLSPIUXKHZAGH-LLVKDONJSA-N 240.310 2.972 30 20 BFED CC(=NN[C@@H]1CCCOC1)c1csc(C)c1 834971529 FAQGWRZJLXSRTK-GFCCVEGCSA-N 238.356 2.549 30 20 BFED CC[C@@H](C)C=NNc1ccc(C(=O)O)c(F)c1 835010118 OZFDEISDKPSTQK-MRVPVSSYSA-N 238.262 2.968 30 20 BFED C=CCON=C(CCOC)c1ccc(F)cc1 835016717 YXKXYLZHIBLMHO-UHFFFAOYSA-N 237.274 2.769 30 20 BFED CC/C(C)=C/C(=O)[C@H](C#N)c1cc(C)nc(C)n1 835059981 NEZDRIOIMMXELX-UVMWJGKXSA-N 243.310 2.626 30 20 BFED C=C(C)[C@H](C)OC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 835299012 VSRFBHLWANGZEP-WHOHXGKFSA-N 208.301 2.930 30 20 BFED C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@H](C)C1 837419850 SXKKTZODBTYSCW-JHJVBQTASA-N 235.371 2.977 30 20 BFED C=C[C@](C)(CC)C(=O)OCCc1cncs1 840478412 VLJYYWKCDZRMAR-GFCCVEGCSA-N 239.340 2.831 30 20 BFED FC(F)CNN=Cc1ccc(C2CC2)cc1 841626524 RSCVLWDQIWIGMF-UHFFFAOYSA-N 224.254 2.753 30 20 BFED C[C@H](CO)N(C)N=C1CCCC12CCCCC2 842539540 ZAQQHOFOXVONMP-GFCCVEGCSA-N 238.375 2.789 30 20 BFED C#C[C@@H](NC(=O)[C@@H]1CC12CCC2)c1ccccc1 843638759 DJZBMLUYKFYQJY-UONOGXRCSA-N 239.318 2.667 30 20 BFED C[C@H](c1cccc(C#N)c1)N1C[C@@H]2[C@@H](C1)C2(F)F 844460555 XWOGYLYOIVQKMW-OASPWFOLSA-N 248.276 2.816 30 20 BFED C=C(C)CON=Cc1nc2c(s1)CCC2 844619958 OGXFHWQIIDYMLI-UHFFFAOYSA-N 222.313 2.558 30 20 BFED CCn1ccc(CNc2ccc(C#N)cc2C)n1 846748656 FDCYUXBKGZSTSC-UHFFFAOYSA-N 240.310 2.695 30 20 BFED C=CC[C@H]1CCCN(C(=O)OCCCF)C1 849431143 TZQYUXUWURANTA-NSHDSACASA-N 229.295 2.771 30 20 BFED C#C[C@@](C)(CC)NCc1cn2cc(C)ccc2n1 852099193 GPRPJEATEWUUIJ-HNNXBMFYSA-N 241.338 2.534 30 20 BFED CCN(CCOc1ccc(C)cc1)[C@@H](C)C#N 852638070 LTTDNWBEGDIZRW-ZDUSSCGKSA-N 232.327 2.608 30 20 BFED C#Cc1cccnc1N1CCC(C)(C)CC1 853258021 IEOQEOVBBQZGCC-UHFFFAOYSA-N 214.312 2.689 30 20 BFED C=CC[C@H]1CCCCC1=NN[C@H](CC)C(=O)O 853348900 PWBCDPHHWJTKDV-WDEREUQCSA-N 238.331 2.562 30 20 BFED COc1ccc(C=NOCC2CCC2)cc1 853439314 DIBDWOOULDPQPP-UHFFFAOYSA-N 219.284 2.846 30 20 BFED CC#CCN(C)C(=O)c1ccccc1C(C)C 854670925 SFCKYBNOQCTHGI-UHFFFAOYSA-N 229.323 2.905 30 20 BFED C=CCCONC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 856035769 IZXLQXNJZGUTJY-QJPTWQEYSA-N 225.332 2.683 30 20 BFED C#CCCOC(=O)N1CCC[C@@H](CCC)C1 859059250 HHOVMPLTDRNDFL-GFCCVEGCSA-N 223.316 2.658 30 20 BFED C=CCCC[C@H](C)OC(=O)C1(F)CCOCC1 869728184 IWKMIDCQBUFFRT-NSHDSACASA-N 244.306 2.793 30 20 BFED C=C(C)CN1CCOC[C@@H]1c1ccc(OC)cc1 879737228 GAYYGSRUHQTWDP-OAHLLOKOSA-N 247.338 2.645 30 20 BFED C#C[C@H](NC(=O)Nc1ccsc1C)C(C)C 880398865 WKQYCPJQXDYQHY-JTQLQIEISA-N 236.340 2.836 30 20 BFED Cc1ccc(N2CCSC(C)(C)C2)c(C#N)n1 882067041 CMCYUAJOCSGULZ-UHFFFAOYSA-N 247.367 2.594 30 20 BFED C=C[C@H](CC)CC(=O)Nc1ccc(OC)c(O)c1 891891747 DDWVKSSTYRXSOM-SNVBAGLBSA-N 249.310 2.942 30 20 BFED C=CC(C)(C)CC(=O)OC1([C@H]2CCOC2)CC1 892708834 YZDVPBJROWDWRN-NSHDSACASA-N 238.327 2.701 30 20 BFED Cc1cc(NCCCC#N)nc(C2CCC2)n1 893128604 OFRIHOKJHHWKLL-UHFFFAOYSA-N 230.315 2.768 30 20 BFED C=CC1(OC(=O)c2ccc(COC)cc2)CC1 893365456 MVMMONPVFCHBFU-UHFFFAOYSA-N 232.279 2.708 30 20 BFED C/C(=C/C(=O)Nc1ncc(C#N)s1)C(C)(C)C 896480763 GZDAXXIDDJHATO-YVMONPNESA-N 249.339 2.946 30 20 BFED Cc1ccsc1CN1CCC[C@@H](C#N)C1 896504047 ATFMEKYNLMCEEX-NSHDSACASA-N 220.341 2.792 30 20 BFED C[C@H](Cc1ccsc1)N1CCC[C@H](C#N)C1 896506534 UJZRGHKADYWPBZ-DGCLKSJQSA-N 234.368 2.915 30 20 BFED Cc1cccc(CN2CCC[C@@H](C#N)C2)c1F 896507161 YSTXHRARBUYSGZ-LBPRGKRZSA-N 232.302 2.870 30 20 BFED CS[C@@H]1CCCC(=NN=c2cc[nH]c(C)c2)C1 901267282 ICCAQQZBGWBXOI-CYBMUJFWSA-N 249.383 2.885 30 20 BFED N#Cc1ccnc(CSCC[C@@H]2CCCO2)c1 901784274 UUKFWZSDGWFVIY-ZDUSSCGKSA-N 248.351 2.756 30 20 BFED CC(=O)C(C)=NOCc1cccc(Cl)c1 902758369 MGYYYDLENKCXTE-UHFFFAOYSA-N 225.675 2.822 30 20 BFED Cc1ccc2c(c1)CC[C@H]2NCC1(C#N)CC1 903102042 QJKAAROKEDXRRX-CQSZACIVSA-N 226.323 2.876 30 20 BFED COC(=O)c1ccc(C(C)=NOC(C)C)c(C)c1 905476683 LDNQJHLBFGAIAU-UHFFFAOYSA-N 249.310 2.931 30 20 BFED CCCNN=Cc1c(F)cccc1Cl 915965285 DWWQIJJSQGBUAL-UHFFFAOYSA-N 214.671 2.813 30 20 BFED Clc1ccc(NN=C[C@@H]2CC=CCC2)nn1 916287863 INYMHQJFIGCUBG-SECBINFHSA-N 236.706 2.884 30 20 BFED C=CC(C)(C)CC(=O)Nc1ccc(O)cc1OC 923629149 XLMWFMWNMQUJMI-UHFFFAOYSA-N 249.310 2.942 30 20 BFED C[C@H]1C[C@@H](N[C@H](C)CC(C)(C)C#N)CN1C1CC1 925242970 IKEJCTFKEHHTIH-FRRDWIJNSA-N 249.402 2.530 30 20 BFED C=C[C@@H](CC)CC(=O)N(CC#N)C1CCCC1 933242058 TUJIVDWMKBFCOX-LBPRGKRZSA-N 234.343 2.883 30 20 BFED C=CCCCCNCc1cccnc1N(C)C 1117576592 JNPBYQHTWMTEMJ-UHFFFAOYSA-N 233.359 2.594 30 20 BFED C#CCSCC(=O)N([C@@H](C)CC)[C@H](C)CC 1119390210 RWNBGOZXCUMNLM-TXEJJXNPSA-N 241.400 2.778 30 20 BFED CC[C@H](F)C(=O)OC[C@H](C#N)Cc1ccccc1 1122697189 NEIAOPPYUKKVJN-STQMWFEESA-N 249.285 2.660 30 20 BFED C=C(CC)C(=O)Nc1cnc(Cl)c(C)c1 1263756967 GCMWNXVKGJCKKZ-UHFFFAOYSA-N 224.691 2.948 30 20 BFED C[C@@H](C#N)OC(=O)[C@@H](C)c1ccc(F)c(F)c1 1318890573 QKEXEUMAOJNELY-YUMQZZPRSA-N 239.221 2.524 30 20 BFED C[C@@H]1CCCCN1C(=O)CC#Cc1ccccc1 1319122067 XAYWJCNCQHCEIB-CQSZACIVSA-N 241.334 2.829 30 20 BFED CC(=NOC(C)(C)C)c1ccc(C(=O)O)cc1 1320326042 WLWHYLFCCQQPJR-UHFFFAOYSA-N 235.283 2.924 30 20 BFED C=C[C@H](COC)N[C@@H](C)c1ccccc1OC 1342732792 MUIZPRVQPKLHBG-NWDGAFQWSA-N 235.327 2.547 30 20 BFED C=CCC[C@H]1CCCN1C(=O)NC1CCC1 1343234169 RBMVRRPDMOKHJK-LBPRGKRZSA-N 222.332 2.679 30 20 BFED N#CC[C@@H](OC(=O)C1CCC1)c1ccco1 1345982607 VSTLQTVHJURTCU-LLVKDONJSA-N 219.240 2.578 30 20 BFED N#CCC1(CSc2ccc(Cl)nn2)CC1 1346803299 FTHGVYBTRUYRJA-UHFFFAOYSA-N 239.731 2.916 30 20 BFED C=C(C)CCC(=O)OC[C@H]1CCN1C(C)(C)C 1348914044 YJEPTJBCCKWEKK-GFCCVEGCSA-N 239.359 2.759 30 20 BFED CCC(C)=NNc1ccc(F)c(C(=O)O)c1 1594864177 CERGZPAJPBMOIV-UHFFFAOYSA-N 224.235 2.722 30 20 BFED C=C(Cl)CNC(=O)Nc1cccc(CC#N)c1 1624877054 ZPEOEJNPEPKVOW-UHFFFAOYSA-N 249.701 2.627 30 20 BFED C=C(Cl)CNC(=O)c1ccsc1Cl 1629551915 DBBWRCKSINEEJE-UHFFFAOYSA-N 236.123 2.884 30 20 BFED C=C(C)CCN1CC2(CCC2)C[C@H]1CC(=O)O 1776139344 UTPKJYJAWIJGAH-GFCCVEGCSA-N 237.343 2.672 30 20 BFED CCCCNc1ccc(OCC#N)cc1 20126547 USEUPEKAMJSYAA-UHFFFAOYSA-N 204.273 2.801 30 20 BFED CC[C@H](C)[C@H](C)Nc1nnc(C)c(C)c1C#N 42417237 SWUNDTPDRASATR-WPRPVWTQSA-N 232.331 2.812 30 20 BFED N/C(=N/OCc1ccccc1F)C1CCCC1 47272656 BNVAYCALDIXQCZ-UHFFFAOYSA-N 236.290 2.805 30 20 BFED Cc1occc1CN(C)CCCCC#N 49579433 IXOJFZOQRRHVQH-UHFFFAOYSA-N 206.289 2.714 30 20 BFED CC[C@@H](C#N)C(=O)N1CC[C@@H](c2ccccc2)C1 50600439 GBMVDMLCJMTPGW-GXTWGEPZSA-N 242.322 2.552 30 20 BFED Cc1cccc(C(=O)Nc2ncc(C#N)s2)c1 56939522 DCROIGIOEISAPM-UHFFFAOYSA-N 243.291 2.576 30 20 BFED C[C@@H]1CCCN(c2ccnc(C#N)c2)[C@@H]1C 61815196 QAEUSOQWCLUWSL-GHMZBOCLSA-N 215.300 2.578 30 20 BFED CC[C@H](C#N)C(=O)NCC[C@@H](C)c1ccccc1 61911203 BFCYSBLCTSGALK-CHWSQXEVSA-N 244.338 2.846 30 20 BFED C[C@@H](CC#N)NCCOc1ccc(Cl)cc1 68608517 OQYQIIHPOPFIBR-JTQLQIEISA-N 238.718 2.611 30 20 BFED C=CCc1ccc(OC(=O)[C@H]2C[C@H]2C)c(OC)c1 70730573 ZQNQDNDLASHPHL-PWSUYJOCSA-N 246.306 2.985 30 20 BFED N#CC1(C(=O)OC2CCCC2)CCCC1 70795314 RODFOXLRPJVUJT-UHFFFAOYSA-N 207.273 2.556 30 20 BFED C#CCN1CCC(c2ccc(OC)cc2)CC1 74992439 VFHIIFIDWBMHFN-UHFFFAOYSA-N 229.323 2.508 30 20 BFED C=CCCC(=O)N(C)c1ccc(Cl)cn1 76345403 LXMILWIJLMTJKF-UHFFFAOYSA-N 224.691 2.664 30 20 BFED Cc1cc(C)c(C#N)c(N2C[C@H]3[C@@H](C2)C3(C)C)n1 78411739 YQFMCNSXXUGCBP-BETUJISGSA-N 241.338 2.662 30 20 BFED CC1(C)CCCN(c2cccc(C#N)n2)C1 80119451 RZTROLZJKGRRBG-UHFFFAOYSA-N 215.300 2.580 30 20 BFED Cc1cc(CNc2c(F)cc(C#N)cc2F)on1 83420504 MARSTRIDKMQPSJ-UHFFFAOYSA-N 249.220 2.745 30 20 BFED C=CCCC(=O)N(CCOC)Cc1ccccc1 102218140 UDQAGGKIQZHFJR-UHFFFAOYSA-N 247.338 2.628 30 20 BFED CCCCCCCCC(=O)N(CC)CCO 103216464 JUIBKJKVSIVHOB-UHFFFAOYSA-N 229.364 2.578 30 20 BFED C=CC[C@H](C)NC(=O)CO[C@@H]1CCCC[C@H]1C 116858802 DVQAOQIADBDANO-FRRDWIJNSA-N 239.359 2.663 30 20 BFED Cc1ccc([C@H]2COCCN2CCCCC#N)o1 116895206 AGUOOVWIQWQZMS-CYBMUJFWSA-N 248.326 2.655 30 20 BFED C[C@H](NCC#N)c1ccc2c(c1)CCCC2 120133347 GIWINHJYQLHKFK-NSHDSACASA-N 214.312 2.740 30 20 BFED C#CCCCCC(=O)N1CCC[C@H](C)[C@H]1C 120203908 UNUUZSIQLMCYQX-QWHCGFSZSA-N 221.344 2.827 30 20 BFED C=CCC[C@@H](C)N[C@@H](C)C(=O)OC(C)(C)C 120207252 QVSDRCUEEXEISF-MNOVXSKESA-N 227.348 2.661 30 20 BFED C=CC[C@H](C)NC(=O)c1cccc(C)c1F 125269098 BJWLZSSNMCBKCF-JTQLQIEISA-N 221.275 2.829 30 20 BFED COC[C@H](Nc1ccc(OCC#N)cc1)C(C)C 126031274 UQHIRRBYNYYKJA-AWEZNQCLSA-N 248.326 2.672 30 20 BFED CCCCN(C)Cc1cc(C#N)ccc1OC 130387003 MSSLZENSTLFQNS-UHFFFAOYSA-N 232.327 2.799 30 20 BFED Cc1cc(F)ccc1/C=C/C(=O)c1cnn(C)c1 131153436 FLILAQJZAVCYPQ-GQCTYLIASA-N 244.269 2.764 30 20 BFED C[C@H]1SCCN(CC2(CC#N)CC2)[C@@H]1C 132672424 ROBDRFUUQHDTOV-GHMZBOCLSA-N 224.373 2.506 30 20 BFED C=C[C@@](C)(CC)C(=O)N[C@H](C)C1CCOCC1 135122353 QTKWMKRHCHFYIV-RISCZKNCSA-N 239.359 2.520 30 20 BFED N#Cc1ccc(CNCc2ccc(F)cc2F)o1 135167538 KJXMRWGIIXRLSP-UHFFFAOYSA-N 248.232 2.719 30 20 BFED C=CCc1cc(OC)cc(CN(C)CC=C)c1O 154978085 NLCRSVKDHRZPIO-UHFFFAOYSA-N 247.338 2.747 30 20 BFED C=C(C)CNC(=O)N1CCC[C@@H]1c1ccncc1 156405241 HQTNDQYBXUDPJW-CYBMUJFWSA-N 245.326 2.504 30 20 BFED C=CCCC[C@H](C)N[C@H](C)CCn1cccn1 159212769 YXGNBDYZPNAAQB-UONOGXRCSA-N 235.375 2.996 30 20 BFED CC[C@H](C#N)NC(=O)c1ccc(F)c(Cl)c1 160361530 PVTGAYRVWHVGCB-MRVPVSSYSA-N 240.665 2.511 30 20 BFED C=CCN(C)c1ncnc2sc(C)cc12 160553936 XVXFCZTZQJCDJB-UHFFFAOYSA-N 219.313 2.622 30 20 BFED CC(C)(C#N)N1CCC(OC2CCCC2)CC1 160769475 LUUWSTIWJWOIES-UHFFFAOYSA-N 236.359 2.712 30 20 BFED Cc1cnn(CCCCCN(C)[C@@H](C)CC#N)c1 161739234 JJKRRMWZTWMUPZ-AWEZNQCLSA-N 248.374 2.596 30 20 BFED C=CC[C@H](C)N[C@H]1C[C@H](OCC)C1(C)C 162583762 OIEALGCZOHPWSJ-SRVKXCTJSA-N 211.349 2.744 30 20 BFED Cn1c(C#C[Si](C)(C)C)nc2ccccc21 169972290 GCLKSMSLSYZOFX-UHFFFAOYSA-N 228.371 2.802 30 20 BFED C#CCCCNC(=O)N[C@H](C)c1ccccc1C 174090740 JOKWYIHZPJQDJR-CYBMUJFWSA-N 244.338 2.769 30 20 BFED C=CCCCC(=O)OCc1ccc(C#N)cc1 174915126 RSIGOSSLROQTOV-UHFFFAOYSA-N 229.279 2.958 30 20 BFED CCCCCC[C@@H](C)C(=O)n1ncc(C#N)c1N 175704978 LTFJGCMSMJJTKC-SNVBAGLBSA-N 248.330 2.584 30 20 BFED C#CCCCCNC(=O)N1CCC[C@@H](C)[C@H]1C 177231998 AZGWCOBFMSGPOF-CHWSQXEVSA-N 236.359 2.620 30 20 BFED C#CCCCCC(=O)N[C@@H](C)c1cccc(O)c1 180418860 PASMOXZCOIPCOF-LBPRGKRZSA-N 245.322 2.763 30 20 BFED CN(CCC1CC1)Cc1ccc(C#N)s1 180787363 WBMFAPIEFJQPJM-UHFFFAOYSA-N 220.341 2.852 30 20 BFED CC#CCNC(C)(C)c1ccc(F)c(F)c1 180868189 DCVPNJDLNWCTOD-UHFFFAOYSA-N 223.266 2.813 30 20 BFED C[C@@H](SCCCCC#N)c1cnccn1 185692980 CMKICNAYADJWHW-SNVBAGLBSA-N 221.329 2.965 30 20 BFED C=CCCOCCNC(=O)C1=CCCCCC1 186849495 PUSBGWBWJCBZRS-UHFFFAOYSA-N 237.343 2.586 30 20 BFED C=C[C@](C)(CC)C(=O)N(C)c1ncccc1OC 188031298 XMKYCSVQFWHOGE-CQSZACIVSA-N 248.326 2.655 30 20 BFED CC1CCC(CNCc2cc(C#N)n(C)c2)CC1 189592639 MLYSUMGINYGCBE-UHFFFAOYSA-N 245.370 2.813 30 20 BFED C=CCNC(=O)CSCc1cccc(CC)c1 190181172 XBQXJWVGRMJJKX-UHFFFAOYSA-N 249.379 2.784 30 20 BFED CO[C@H]1CC[C@H](Nc2nc(C)cc(C)c2C#N)C1 191012184 KABRKKWJFXYNGR-RYUDHWBXSA-N 245.326 2.550 30 20 BFED C[C@@H](NC(=O)Nc1ccc(F)cc1C#N)C1CC1 192472163 FOJAQMUKMKNFNH-MRVPVSSYSA-N 247.273 2.617 30 20 BFED C=CCCOCCN[C@@H]1CC(C)(C)C[C@H]1C 193144661 WSMJQVURSWZALP-CHWSQXEVSA-N 225.376 2.993 30 20 BFED Cc1ccc(C#N)c(SC[C@@H]2CCCO2)n1 235850771 PFVKULSYOJSJLP-NSHDSACASA-N 234.324 2.533 30 20 BFED COC(=O)[C@]1(C(C)C)O[C@@]12CCCC[C@H]2C 252574536 GBCGNDKJFJNHCA-RTXFEEFZSA-N 226.316 2.533 30 20 BFED C=C(C)CN(CC)C(=O)CSC/C=C\C 255548847 HOBQOFMMFFNPHO-ALCCZGGFSA-N 227.373 2.720 30 20 BFED Cc1ccc(C(=O)N2CCC[C@H](CC#N)C2)s1 259969201 SUJOPKQTCGWABU-LLVKDONJSA-N 248.351 2.822 30 20 BFED C=C1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 264166327 LBKRAOYGENBMFA-ZDUSSCGKSA-N 245.322 2.633 30 20 BFED C=CCCCCCN(C)Cc1nonc1C 265856969 ZPZXXQCRJIVRRS-UHFFFAOYSA-N 223.320 2.556 30 20 BFED C=CCNc1cccc(OC[C@@H]2CCCO2)c1 268066884 HXIZLMXXHAUSBA-AWEZNQCLSA-N 233.311 2.842 30 20 BFED C#CCCCCC(=O)N[C@@H]1CCc2ccccc21 271416590 ZZSMOFORYSUORC-OAHLLOKOSA-N 241.334 2.984 30 20 BFED C[C@H](N[C@H]1CCO[C@H](C)C1)c1cccc(C#N)c1 271650588 FXRVROZYQQEUBD-XUJVJEKNSA-N 244.338 2.776 30 20 BFED CC(=O)c1ccc(C#N)c(N2CCC[C@@H]2C)c1 273208876 MYXAIDUMSFJQCV-JTQLQIEISA-N 228.295 2.750 30 20 BFED C=CCC1(C(=O)Nc2nc(C)ns2)CCC1 276813694 NPHDEAIHBRATNX-UHFFFAOYSA-N 237.328 2.531 30 20 BFED CC(=O)c1ccc(C#N)c(N2CCC=C(F)C2)c1 278866340 YWDPXZCFSIJUGI-UHFFFAOYSA-N 244.269 2.824 30 20 BFED C#CCN(C)[C@@H](COC)c1ccc(Cl)cc1 278988237 RTYYHVFOYPCIOE-ZDUSSCGKSA-N 237.730 2.593 30 20 BFED C=CC[C@H](CC)NC(=O)c1cc(Cl)ccn1 281025671 HFVDPJDMDBPPIN-JTQLQIEISA-N 238.718 2.820 30 20 BFED CC[C@](C)(C#N)c1nc(-c2ccco2)no1 285034267 IPNILIRYCZDUDK-LLVKDONJSA-N 217.228 2.521 30 20 BFED C=C[C@@H](CO)NCc1cc(Cl)ccc1Cl 289454254 BXFDFAKIIKAZOI-JTQLQIEISA-N 246.137 2.630 30 20 BFED C=C[C@@H](CO)N[C@H](C)c1cccc(C)c1C 289758825 LMJRIKRAUJCVDE-OLZOCXBDSA-N 219.328 2.501 30 20 BFED CCc1ccc(OC(=O)CCCC#N)cc1 291232095 UFWNCVFUCKGAGN-UHFFFAOYSA-N 217.268 2.848 30 20 BFED C=CC[C@H](CC)NC(=O)CCc1cncc(C)c1 293052475 FWSVPIDMUHJCAS-AWEZNQCLSA-N 246.354 2.794 30 20 BFED CC(C)(C#N)c1nc(-c2ccc(F)cc2F)no1 293423294 VBXRMMSRXZZUSF-UHFFFAOYSA-N 249.220 2.816 30 20 BFED C=CC(C)(C)C(=O)Nc1ccc(F)c(OC)c1 295407630 XCELQMLHBFMSGP-UHFFFAOYSA-N 237.274 2.985 30 20 BFED C[C@@H](CCC#N)Sc1ccc(Cl)nn1 298276636 LSTFQAADOSLFQL-ZETCQYMHSA-N 227.720 2.914 30 20 BFED CCN(CC#N)Cc1csc(-c2ccco2)n1 299620993 JHAGDWLRZBMHMQ-UHFFFAOYSA-N 247.323 2.749 30 20 BFED CC[C@@H]1CCCC[C@H]1N(C)c1ccc(C#N)nn1 301976788 WIESVZCSDPAIBA-DGCLKSJQSA-N 244.342 2.753 30 20 BFED CCCCCCN/C(N)=N/CCc1ccccc1 303701820 IKZPFHYDOUBFAH-UHFFFAOYSA-N 247.386 2.714 30 20 BFED C=C(Br)CNC(=O)C(C)(C)C(C)C 308135794 FFSRYXZAXMYYET-UHFFFAOYSA-N 248.164 2.693 30 20 BFED CCC(CC)=NNC[C@@H]1CCSC1 308190997 NQCKMNIVLOHIFD-VIFPVBQESA-N 200.351 2.505 30 20 BFED C=C[C@H](C)N[C@H]1C[C@H](OC(C)C)C1(C)C 308842671 KQTKFBHQAJLACN-SRVKXCTJSA-N 211.349 2.743 30 20 BFED N#CCCCN[C@@H]1CCC[C@H](C2CC2)C1 308901826 CFPDSDQEIUTUNU-QWHCGFSZSA-N 206.333 2.849 30 20 BFED C#CCCSc1nnc(NCCCC)s1 308917049 GEIPMCWEKAVGQJ-UHFFFAOYSA-N 241.385 2.866 30 20 BFED N#Cc1nccc(SC2CCCCC2)n1 308981951 FGVBEYWEJIXYND-UHFFFAOYSA-N 219.313 2.773 30 20 BFED C=CC[C@H](NCCC(C)(C)C)C(=O)OCC 309612311 BUIWKQQSAZSRAD-NSHDSACASA-N 227.348 2.520 30 20 BFED CCc1ccccc1CNc1cc(C#N)ncn1 310826045 YANNRSRNIOJMEZ-UHFFFAOYSA-N 238.294 2.523 30 20 BFED C[C@@H](NCC(C)(C)C#N)[C@H]1C[C@H]2CC[C@H]1C2 314680155 PZBFUESIUUBRCY-MROQNXINSA-N 220.360 2.950 30 20 BFED CC(C)(C(=O)N[C@H]1CC[C@@H](CC#N)C1)C1CC1 331958437 UTOQDWKZQGDEKB-JQWIXIFHSA-N 234.343 2.621 30 20 BFED C[C@H](C#N)C(=O)N1CCC[C@H]1c1ccc(F)cc1 334192420 IQHHDQXNFZDTPU-MFKMUULPSA-N 246.285 2.649 30 20 BFED C=C[C@@H](C)NC(=O)c1cncc2ccccc12 334494199 QUCVWLHFSZCWLZ-SNVBAGLBSA-N 226.279 2.539 30 20 BFED C[C@H](C(=O)N1CCCC(C)(C)[C@H]1C#N)C1CCC1 334607711 CUMYBNMCXUSWAH-WCQYABFASA-N 248.370 2.963 30 20 BFED Cc1cc(S[C@@H]2CCCOC2)c(C#N)cn1 335096911 YVQFUKWYKGBIFF-LLVKDONJSA-N 234.324 2.533 30 20 BFED N#Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)s1 335567385 HHVUMMNDUWGFLF-MNOVXSKESA-N 245.351 2.792 30 20 BFED CN(Cc1ccc(C#N)cc1)C(C)(C)C 336133607 ZSRIJUYOCHWJOD-UHFFFAOYSA-N 202.301 2.789 30 20 BFED CN(C(=O)[C@H]1C[C@H]1C1CC1)c1ccc(C#N)cc1 336166030 HWLAEVZTMWLIDD-KBPBESRZSA-N 240.306 2.567 30 20 BFED CS[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H](C#N)C2)C1 336668945 GLKQXBSDXYPWAF-YVECIDJPSA-N 238.400 2.942 30 20 BFED C=CCCN(CCOC)[C@@H]1CCC[C@H]1C 338543403 NYRJQJFLYNKFKO-CHWSQXEVSA-N 211.349 2.700 30 20 BFED C=CC[C@H](C)NC(=O)[C@@H]1Cc2ccccc2S1 342364094 WCFOVLYOWKCWFO-GWCFXTLKSA-N 247.363 2.784 30 20 BFED C=CCC(C)(C)C(=O)NC[C@@H](O)C(CC)CC 342948864 AAXWITIAEQOLDW-GFCCVEGCSA-N 241.375 2.502 30 20 BFED C=CCC[C@@H](O)CN1C[C@H](C)CC(C)(C)C1 344043228 WZEACDYYFRUGKQ-CHWSQXEVSA-N 225.376 2.682 30 20 BFED CCCCN(CC)C(=O)CC(C)(C)C#N 345631647 DJZNBRNVGBYTFX-UHFFFAOYSA-N 210.321 2.575 30 20 BFED N#CCN(C(=O)CCC1CCCCC1)C1CC1 346480981 IZGOYUWKLDBQLO-UHFFFAOYSA-N 234.343 2.861 30 20 BFED C=CCOCCCN[C@@H](c1cccnc1)C1CC1 348036699 AUNKHCVOCQENSX-OAHLLOKOSA-N 246.354 2.715 30 20 BFED CC(C)CCN(CCC#N)C(=O)c1ccco1 349400354 MALYXSVORAVPEF-UHFFFAOYSA-N 234.299 2.682 30 20 BFED C=C(C)CCN1CCOC[C@H]1CC(C)C 352002823 IMSOAVRYGWOVMK-CYBMUJFWSA-N 211.349 2.700 30 20 BFED N#CC1(F)CCN(CCCc2ccccc2)CC1 352459069 SPASOOVLASVGCO-UHFFFAOYSA-N 246.329 2.947 30 20 BFED C=CCOc1ccc(OCC2(C)COC2)cc1 360847363 UOMNSCINLHOADI-UHFFFAOYSA-N 234.295 2.667 30 20 BFED CC#CCSCc1ccccc1OC 361368497 QEXYEHHQZKHKOJ-UHFFFAOYSA-N 206.310 2.952 30 20 BFED C=CC(C)(C)CNCc1ccc(COC)o1 384864130 OZZBNNZJYQKKNT-UHFFFAOYSA-N 223.316 2.728 30 20 BFED CC(C)(C)CC(=O)N1CCC[C@H](CC#N)C1 397631198 OEGJVCJDEABJLT-LLVKDONJSA-N 222.332 2.575 30 20 BFED Cc1c(Cl)c[nH]c(=NC[C@@H]2CC23CC3)c1C#N 418978959 MNTJFIGANXZUMC-VIFPVBQESA-N 247.729 2.549 30 20 BFED N#Cc1cccc(C#N)c1NCC1(C#N)CCC1 419025464 SKKUQKLUZRMXOI-UHFFFAOYSA-N 236.278 2.536 30 20 BFED Cc1cc(F)ccc1CCN[C@@H]1CC[C@H](C#N)C1 442789302 YRXRUNZSYQHPDU-SWLSCSKDSA-N 246.329 2.959 30 20 BFED CN(CCCSCC#N)C1CC(C)(C)C1 448556747 RCOUDKYKWDBNDT-UHFFFAOYSA-N 226.389 2.754 30 20 BFED C=CCSCCNC(=O)[C@@]1(C)CC=CCC1 448816867 ATTXFKNLVUXDBU-ZDUSSCGKSA-N 239.384 2.768 30 20 BFED C=CCC1(CN[C@H](C)COC)CCCC1 449606648 RQVRMHLOZVYBKP-GFCCVEGCSA-N 211.349 2.747 30 20 BFED C=CCCN(C)C(=O)[C@@H]1CCC[C@@H]1CC 451062275 MXIKGFFOMZKBEO-NWDGAFQWSA-N 209.333 2.847 30 20 BFED CO[C@@H]1CCN(CCCC(C)(C)C#N)C[C@H]1C 451539174 FENBVZSPFFVYTF-CHWSQXEVSA-N 238.375 2.673 30 20 BFED C=C[C@@](C)(CC)C(=O)Nc1cnc2n1CCCC2 452336125 UBGRZBILMIVGGE-AWEZNQCLSA-N 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2.684 30 20 BFED C=CCC[C@@H](CC)NCc1ccc(C(=O)O)o1 825664482 AWXAPLPWHRZVIZ-SNVBAGLBSA-N 237.299 2.812 30 20 BFED C#C[C@@H](NC(=O)NCCC(=C)C)c1ccccc1 826908138 XKPOANBCMXTRBO-CQSZACIVSA-N 242.322 2.626 30 20 BFED CC(C)C#CC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 829533523 DKSLHQFEIVBYEE-KGLIPLIRSA-N 243.350 2.954 30 20 BFED C[C@H](NN=C1CCC1(C)C)C(F)(F)F 834998558 VIJMPCSKFDLEJM-LURJTMIESA-N 208.227 2.703 30 20 BFED CCC[C@@H](CC)OC(=O)c1cc(C#N)[nH]c1C 835229537 NXZCLEDEHIRRGW-LLVKDONJSA-N 234.299 2.930 30 20 BFED C#CCCCCC(=O)OC[C@@H](OC)[C@H](C)CC 835625118 AIBATMJWEQUGKI-CHWSQXEVSA-N 240.343 2.784 30 20 BFED C#Cc1cccc(CNC(=O)C[C@H](C)CC)c1 837107361 MBPHWVQMRBVMBK-GFCCVEGCSA-N 229.323 2.720 30 20 BFED O=C(C#CC1CC1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 837319694 JUEWZIRPVHIRLZ-QLFBSQMISA-N 245.366 2.875 30 20 BFED C=CCCCOC(=O)c1cc(O)ccc1F 837870065 RXWUMGFZSPCRNS-UHFFFAOYSA-N 224.231 2.654 30 20 BFED C#CCC[C@@H](C)OC(=O)C1(CCC)CC1 839037307 QCBUNRLDNBKTIU-LLVKDONJSA-N 208.301 2.912 30 20 BFED 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20 BFED CC#CCN(C)[C@@H]1C[C@@H]1c1cccc(F)c1 906588482 GKINCYKBLZCCOR-ZIAGYGMSSA-N 217.287 2.637 30 20 BFED C=C[C@@](C)(CC)C(=O)NCCCCCC(C)=O 909102745 VQHIWSFEYFVGJP-AWEZNQCLSA-N 239.359 2.854 30 20 BFED C=CCNC(=S)N(C)C1CCC(CC)CC1 918721496 LKPHEONHBOJVFZ-UHFFFAOYSA-N 240.416 2.948 30 20 BFED N#CCCCCOC(=O)COC1CCCCC1 919372760 NHBGEZMHTODTAG-UHFFFAOYSA-N 239.315 2.573 30 20 BFED C#CCN(C(=O)[C@H](C)C1CCCC1)C(C)C 928626936 GSBHSODCFCEELI-GFCCVEGCSA-N 221.344 2.683 30 20 BFED CCc1cccc(CN2CCC[C@@H](C#N)C2)c1 932149167 XWCLYFUMLJHTNJ-HNNXBMFYSA-N 228.339 2.985 30 20 BFED C#C[C@H](C)NC(=O)Nc1ccc(C(F)F)cc1 933103302 DXEQWRRVDWBMJV-QMMMGPOBSA-N 238.237 2.767 30 20 BFED CC[C@H](NCC[C@H](C)NC)c1ccc(C#N)cc1 1118122196 QSSVZXWWZOYJKM-WFASDCNBSA-N 245.370 2.597 30 20 BFED C#CCCCCCCN[C@@H]1CC[C@@H](OC)C1 1119243970 AGQMYQIFPIJSIK-ZIAGYGMSSA-N 223.360 2.727 30 20 BFED C=C(C)CCC(=O)NCc1oc(CC)nc1C 1120657065 PJJOZGCOLGZREI-UHFFFAOYSA-N 236.315 2.518 30 20 BFED C=C[C@H](CC)OC(=O)[C@H]1CCOC(C)(C)C1 1122783058 VHLVYTPUKOJAJS-WDEREUQCSA-N 226.316 2.699 30 20 BFED CC(C)(C)ON=Cc1ccc2oncc2c1 1261236328 DYIURNTVYMMHIX-UHFFFAOYSA-N 218.256 2.977 30 20 BFED C=CC[C@H](N[C@@H](CC)C[C@@H](C)CC)C(=O)O 1334017160 RQLCOQLFCATLEH-SRVKXCTJSA-N 227.348 2.820 30 20 BFED CC(C)NC(=S)NN=C1CCC2(CC1)CC2 1338972645 IKCHRDSSJVFNCG-UHFFFAOYSA-N 239.388 2.569 30 20 BFED CC(=NOC(C)(C)C)c1ccc2c(c1)OCO2 1341309543 QWYUPJNVPRVRTG-UHFFFAOYSA-N 235.283 2.954 30 20 BFED C#CCCCNc1ccc2c(C(=O)O)c[nH]c2c1 1588447289 VQZBCSIHYQGGNJ-UHFFFAOYSA-N 242.278 2.691 30 20 BFED C=C[C@H]1CCCCN1CCC1(C(=O)O)CCC1 1602717247 FXRSCJZEVNLVOK-LBPRGKRZSA-N 237.343 2.672 30 20 BFED C=CC(=O)N(CC(=C)C)Cc1ccccc1 36420890 PTNWOAJRHBLOGR-UHFFFAOYSA-N 215.296 2.777 30 20 BFED N#CCCSc1ncnc2sccc12 39192704 PYRHEFRMAVWCHP-UHFFFAOYSA-N 221.310 2.697 30 20 BFED CC[C@H](C#N)C(=O)N(Cc1cccs1)C1CC1 44824746 VZSDAQIRRSYDLD-SNVBAGLBSA-N 248.351 2.789 30 20 BFED C[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 48824360 LJYOCYQUPVOLDK-XVKPBYJWSA-N 234.686 2.806 30 20 BFED N#CCCNC(=O)c1c(Cl)cccc1Cl 54156733 RECIODXPPXQUSI-UHFFFAOYSA-N 243.093 2.637 30 20 BFED C=C(C)CN(CC)C(=O)CNc1ccccc1C 70922383 KOUMVEXSZRFKKL-UHFFFAOYSA-N 246.354 2.832 30 20 BFED COc1ccc(CNCC2CCCC2)cc1C#N 87822927 WJEJGIAQWIDZQC-UHFFFAOYSA-N 244.338 2.847 30 20 BFED C[C@H](C#N)Nc1ccc(F)cc1OCC(F)F 90987944 ODRMYRUMAMIGPP-SSDOTTSWSA-N 244.216 2.794 30 20 BFED CCCN/C(N)=N/CC(C)(C)c1ccccc1C 104182059 CFTODCPZVNQPSC-UHFFFAOYSA-N 247.386 2.587 30 20 BFED N#CCCCSc1ccc2c(c1)OCCO2 105660227 LMCVNLXFCUBGKP-UHFFFAOYSA-N 235.308 2.854 30 20 BFED C=CC[C@H](C)NC(=O)c1cccc(F)c1 116852944 WVJGHBFAZSSRAT-VIFPVBQESA-N 207.248 2.520 30 20 BFED C#CCCOC(=O)c1ccccc1OC1CCC1 118599724 GXRLMZVBJRENGX-UHFFFAOYSA-N 244.290 2.798 30 20 BFED C=C[C@@H](C)N[C@@H](C)c1ccc2c(c1)OCO2 119363058 SNKXGISZGTZOMU-ZJUUUORDSA-N 219.284 2.640 30 20 BFED C=C[C@H](CC(=O)Nc1cc[nH]n1)c1ccccc1 119894768 SJCVPMFJHZWLFT-LLVKDONJSA-N 241.294 2.708 30 20 BFED CC#CCNC(=O)CCCc1cc(C)sc1C 120844756 VZSICRINFDGOSA-UHFFFAOYSA-N 249.379 2.827 30 20 BFED C=CCNC(=O)C[C@H](C=C)c1ccccc1 121858687 UWBOZRKXWMGURN-LBPRGKRZSA-N 215.296 2.649 30 20 BFED N#Cc1cc(NC(=O)C2[C@@H]3CCC[C@@H]23)ccc1F 123409514 CYDBNOZTSHNGMG-GHMZBOCLSA-N 244.269 2.682 30 20 BFED CC(C)[C@H](CCO)N[C@H](C)c1ccc(C#N)cc1 125659746 PGRGWJTYDKASCY-DOMZBBRYSA-N 246.354 2.616 30 20 BFED C=C(C)COCCNCc1ccc(OC)c(C)c1 125772113 CEZINMOVGWTERQ-UHFFFAOYSA-N 249.354 2.686 30 20 BFED CC#CCNc1nc(-c2ccccc2)ns1 128667636 GQJOFEMEKDLYGL-UHFFFAOYSA-N 229.308 2.640 30 20 BFED C=CCCCOC(=O)/C=C/c1cccnc1 130836432 ZABKZQNPRFIPNA-BQYQJAHWSA-N 217.268 2.604 30 20 BFED Cc1ccc(F)cc1NC(=O)c1ccc(C#N)[nH]1 131567911 XBTPSFGVZZLJEH-UHFFFAOYSA-N 243.241 2.586 30 20 BFED C=C(Cl)CNCc1cnc(CC)s1 131665393 YCQRKXGLFPKHLI-UHFFFAOYSA-N 216.737 2.548 30 20 BFED CC#CCNC(=O)N(C)[C@H](C)c1ccc(C)cc1 136038328 KBVVGDJDTAHSSS-CYBMUJFWSA-N 244.338 2.721 30 20 BFED CC#CCOc1ccc(F)c(Br)c1 137049490 NTFIGMJEUURQQL-UHFFFAOYSA-N 243.075 2.990 30 20 BFED CC#CCNC(=O)Nc1ccccc1C(C)C 152990261 ZLLMPYICOPUGEO-UHFFFAOYSA-N 230.311 2.955 30 20 BFED C=C(C)CNC(=O)c1cc(C)sc1C 153441253 BQASVKDIFLCVLL-UHFFFAOYSA-N 209.314 2.671 30 20 BFED C#CCCCCNC(=O)CSc1ccccc1 156577080 OONCWJNPEHZQIX-UHFFFAOYSA-N 247.363 2.698 30 20 BFED Cc1cc(C#N)cc(NCC(C)(C)C)n1 157570966 OTKQOBNTDXKDCC-UHFFFAOYSA-N 203.289 2.720 30 20 BFED CCCCCCCCNC(=O)CNC(C)(C)C 160972302 ITLJSWKFYLHDDW-UHFFFAOYSA-N 242.407 2.851 30 20 BFED C=CCN(C)C(=O)[C@@H](C)SCc1ccccc1 161841520 SUQZIVMWKSCHKE-GFCCVEGCSA-N 249.379 2.953 30 20 BFED C=CCC[C@H](NCC(OC)OC)c1ccccc1 162403728 UKWSPYXMVUOUSH-AWEZNQCLSA-N 249.354 2.902 30 20 BFED C=CCCC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 171442488 SGAGRGBKGPREFD-QWHCGFSZSA-N 233.286 2.764 30 20 BFED C=C(C)COC(=O)[C@H](C)Cc1ccc(OC)cc1 179029796 WCSAJSQGQRSQMI-GFCCVEGCSA-N 248.322 2.993 30 20 BFED C=CCNC(=O)N[C@H]1CCCc2ccc(C)cc21 179171982 MVYIYUYNVPGPJI-AWEZNQCLSA-N 244.338 2.858 30 20 BFED CO[C@H](C)CCC(=O)Nc1ccc(CC#N)cc1 180845634 CGCGQFXUTQGHIO-LLVKDONJSA-N 246.310 2.506 30 20 BFED COC[C@@H](C#N)Nc1cccc(Cl)c1C 181320610 CJHAVEQIYAGRQN-SECBINFHSA-N 224.691 2.599 30 20 BFED C=CCOc1cccc(CN(C)CCOCC)c1 181487552 NNCGJHVALFAUAB-UHFFFAOYSA-N 249.354 2.720 30 20 BFED CC#CCCCC(=O)OCCOc1ccccc1 185263957 GPYRFWRGVWIQOE-UHFFFAOYSA-N 246.306 2.802 30 20 BFED N#C[C@H]1CCC[C@H](NCC2(C3CC3)CC2)C1 185866325 SMGMLINXBYWWJK-AAEUAGOBSA-N 218.344 2.849 30 20 BFED C=C(C)CN(C)C(=O)[C@H](C)OCc1ccccc1 185997500 HJXHSYZMNJZUMO-ZDUSSCGKSA-N 247.338 2.626 30 20 BFED C#C[C@H](C)NC(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 186039788 ZRGBANJJZBRCDP-YNEHKIRRSA-N 236.359 2.522 30 20 BFED CCC(C)(C)N(CCC#N)C(=O)CC(C)C 187515534 MDJSXUUWAMRXQF-UHFFFAOYSA-N 224.348 2.963 30 20 BFED N#Cc1cc(N2CCC[C@H]3CCC[C@H]32)ccn1 228015643 WKAKOJUUJQIMFC-BXUZGUMPSA-N 227.311 2.722 30 20 BFED Cc1cc(C#N)nc(NCC2CCC(C)CC2)n1 231901351 LGPZBWPATAMJSD-UHFFFAOYSA-N 244.342 2.895 30 20 BFED C[C@@H](N[C@H]1CC[C@H](O)CC1)c1ccc(C#N)cc1 252737232 BFTWGPLGPBYBQB-KCPJHIHWSA-N 244.338 2.512 30 20 BFED CC(=O)c1ccc(C#N)cc1N1C[C@H]2CC[C@H]1C2 252753037 HTFQZWAVNKYMHX-STQMWFEESA-N 240.306 2.750 30 20 BFED CON=Cc1ccc(C(=O)OCC=C(C)C)cc1 254979917 DEFVKINNVATCHJ-UHFFFAOYSA-N 247.294 2.790 30 20 BFED N/C(=N\[C@@H]1C[C@H]1C1CCCCC1)NCC1CCC1 262706210 BOJZWKLQKWQEFO-UONOGXRCSA-N 249.402 2.660 30 20 BFED CCOCc1cccc(NC(=O)C(C)(C)C#N)c1 263965376 GFJVGGCNBOGUNA-UHFFFAOYSA-N 246.310 2.711 30 20 BFED CC[C@@H](CN=C(N(C)C)N(C)C)c1ccccc1 264150908 ZCHXGCXATVGJCX-ZDUSSCGKSA-N 247.386 2.659 30 20 BFED C[C@H]1CC/C(=C\C(=O)Nc2ccc(C#N)cn2)C1 268011434 UUAXBHWYIDPZCY-VUBLIPMDSA-N 241.294 2.638 30 20 BFED C=CCCC(=O)N[C@@H](C)CC(=O)c1ccccc1 268482215 ZEOQIXWBSDRMJI-LBPRGKRZSA-N 245.322 2.730 30 20 BFED CC(C)[C@@H](C)N(C)C(=O)c1ccc(CC#N)cc1 270292590 VAZHNUGFEFONAY-GFCCVEGCSA-N 244.338 2.869 30 20 BFED CC[C@@H](NCc1ccc(OCC#N)cc1)C1CC1 271464601 KQXQODOKESTIGN-OAHLLOKOSA-N 244.338 2.867 30 20 BFED CC[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1 271979991 JQPSKUGCDSOKQN-ZWNOBZJWSA-N 245.326 2.585 30 20 BFED C=CCN(CCc1ccco1)C(=O)[C@H](C)CC 272550714 SPNWYVOEQVXWEV-GFCCVEGCSA-N 235.327 2.883 30 20 BFED C=CCN(Cc1cccc(OCC)c1O)C1CC1 273485592 MBICKXYMNMBDDI-UHFFFAOYSA-N 247.338 2.941 30 20 BFED C=C[C@](C)(CC)C(=O)NOC1CCCC1 276021728 SFBIYUAIUZSDMP-GFCCVEGCSA-N 211.305 2.579 30 20 BFED Cc1nnc(S[C@@H]2CC[C@H](C#N)C2)s1 278600960 QSOKRJNSKZCOCS-JGVFFNPUSA-N 225.342 2.631 30 20 BFED C=CC[C@@H](CC)NC(=O)c1ccc(C)c(O)c1 281603673 DLTOZKJJUDUOSG-GFCCVEGCSA-N 233.311 2.785 30 20 BFED C=C(C)[C@H]1OCC[C@@H]1C/N=C/c1ccccc1O 281985511 ZLVYNDQUIXPCKU-PBKRQMHWSA-N 245.322 2.792 30 20 BFED C[C@H](NCCCCC#N)c1c(F)cncc1F 285592291 ITLVPBIHFSGKRT-VIFPVBQESA-N 239.269 2.704 30 20 BFED Cc1cc(F)ccc1OC(=O)CCCC#N 291459962 BHROBVQACCURNY-UHFFFAOYSA-N 221.231 2.733 30 20 BFED Cc1ccc(F)c(C(=O)N[C@]2(C#N)CC2(C)C)c1 291808327 XSFCBUPBTHWXFC-AWEZNQCLSA-N 246.285 2.556 30 20 BFED CSC[C@@H]1CCCN(c2cccnc2C#N)C1 292168602 DODUWOACJXVZPN-LLVKDONJSA-N 247.367 2.533 30 20 BFED C=CCCCC(=O)N(C)Cc1conc1CC 293980607 KBVMXPASRWGCMJ-UHFFFAOYSA-N 236.315 2.552 30 20 BFED C=CCCN(C)Cc1ccc(C(C)=O)cc1 295885542 DGSRLWCBEQARBM-UHFFFAOYSA-N 217.312 2.897 30 20 BFED N#C[C@H]1CC[C@H](Sc2ccncc2)C1 296071674 RXSUGKRFAOWXMA-ONGXEEELSA-N 204.298 2.866 30 20 BFED C#CCO[C@@H](C)C(=O)O[C@@H](C)c1ccccc1C 297452178 QQDCDVNSLXMQER-STQMWFEESA-N 246.306 2.638 30 20 BFED Cc1cc(C)cc(CCC(=O)N(C)[C@@H](C)C#N)c1 297886545 PEYUXNMFDAOZTB-ZDUSSCGKSA-N 244.338 2.607 30 20 BFED N#Cc1cccc(Oc2cccc(C=O)c2)n1 301866296 VGTKGKVGKMULPY-UHFFFAOYSA-N 224.219 2.558 30 20 BFED C=CCCCCNc1nc(C)cc(C)n1 302231248 CAWZORYRPWKWGP-UHFFFAOYSA-N 205.305 2.862 30 20 BFED C=C(C)CN(CC)c1cncc(OC(C)C)n1 302247700 UOXONFOUFCIZCS-UHFFFAOYSA-N 235.331 2.666 30 20 BFED C=C(C)CN(C)C[C@@H](O)c1ccc(C)cc1 305807022 KHYAARUHHFENNL-CQSZACIVSA-N 219.328 2.536 30 20 BFED Cc1nc(C#N)cc(N(C)[C@@H]2CCC[C@@H](C)C2)n1 308446619 BNMLDKFFPHUGIY-ZWNOBZJWSA-N 244.342 2.672 30 20 BFED N#Cc1cc(N2C[C@H]3CCCC[C@H]3C2)ccn1 310135578 BXLCVSQHVIPNLH-TXEJJXNPSA-N 227.311 2.580 30 20 BFED CC#CCC/N=C(/O)c1cc(C(C)(C)C)on1 330890835 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30 20 BFED N#CC[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 596329312 CVNAUUJLDBEYBR-NSHDSACASA-N 243.285 2.827 30 20 BFED C[C@@H]1CCC(C)(C)N1C[C@H](O)CC(C)(C)C#N 598621870 XUKWHNHWKGAKJK-VXGBXAGGSA-N 238.375 2.550 30 20 BFED Cc1ncc([C@@H](C)Nc2cc(C#N)ccn2)s1 601227288 DWEBVEFTVLHQFE-MRVPVSSYSA-N 244.323 2.891 30 20 BFED N#Cc1cc(F)cc(NC(=O)[C@@]23CCC[C@H]2C3)c1 601711061 CVTBMLSGPAVOIL-IINYFYTJSA-N 244.269 2.826 30 20 BFED CCN(CCC#N)Cc1c(C)cccc1OC 602437319 HLRPYACIEJRDHB-UHFFFAOYSA-N 232.327 2.739 30 20 BFED N#Cc1cccc(CN2CCC3(CCC3)CC2)n1 602654373 LXORBCRINSGZLR-UHFFFAOYSA-N 241.338 2.719 30 20 BFED CCO[C@@H]1CCN(C[C@@H](C)CCC#N)C[C@@H]1C 602684516 GSCRADDGIJGUPM-MELADBBJSA-N 238.375 2.673 30 20 BFED C[C@H](CCC#N)CNC[C@@H]1CCOC(C)(C)C1 602687732 LZYIWIDUBMKFLW-CHWSQXEVSA-N 238.375 2.721 30 20 BFED C=CCOCc1nc([C@H](C)c2ccco2)no1 621797803 CGIOWUWNCJFXNN-SECBINFHSA-N 234.255 2.517 30 20 BFED C=CCCN(C)C(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 626616156 OTAIYVJOZPZKRN-SOUVJXGZSA-N 241.334 2.607 30 20 BFED 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249.383 2.954 30 20 BFED O=C1c2ccccc2CN1N=Cc1cccs1 781597229 NRMVVZKXTZEWBY-UHFFFAOYSA-N 242.303 2.738 30 20 BFED Cc1ccc(-c2ccc(C(=O)OCC#N)s2)o1 781746181 AMHGLHPILIDXIH-UHFFFAOYSA-N 247.275 2.997 30 20 BFED CC(=NOC[C@H]1CCOC1)c1ccc(C)cc1 788035932 CFMMKRONATVOBV-ZDUSSCGKSA-N 233.311 2.772 30 20 BFED CCCc1ccc(C(C)=NN[C@@H]2CCOC2)cc1 788455175 DQMLUBMLCXRACV-OAHLLOKOSA-N 246.354 2.742 30 20 BFED CC(=NNc1ccccc1F)c1cc(C)nn1C 788976037 SZOBSBHRXCJKQZ-UHFFFAOYSA-N 246.289 2.704 30 20 BFED CC(=NN[C@@H](C)C(C)(C)C)c1cncs1 793110761 BODCJPSMOZTEKN-VIFPVBQESA-N 225.361 2.891 30 20 BFED CC[C@@H](C)CON=C(C)CCCCO 793160939 YHLHTSYKXBSYCP-SNVBAGLBSA-N 201.310 2.588 30 20 BFED CCC(=NN[C@H](C)COC)c1cccc(C)c1 794928536 YVXZUJKLKGXCHY-GFCCVEGCSA-N 234.343 2.734 30 20 BFED COCCCON=C1CCc2cc(F)ccc21 795053255 KYGPKICEPPCFNB-UHFFFAOYSA-N 237.274 2.529 30 20 BFED C#CCCNc1cc(-c2ccnn2C)ccc1C 798392333 UXXWLYRITZRPDU-UHFFFAOYSA-N 239.322 2.831 30 20 BFED C#C[C@H](NC(=O)C(C)(CC)CC)C(C)C 799046931 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2.970 30 20 BFED C(CCc1cnoc1)=NOC1CCCC1 834968654 NJJVKEAWDMWTSP-UHFFFAOYSA-N 208.261 2.552 30 20 BFED N#C[C@H]1CCCC(=NNCc2ccccc2F)C1 835010611 FNIJWYGKJUAPJY-NSHDSACASA-N 245.301 2.985 30 20 BFED N#CCCCOC(=O)c1cc2ccncc2s1 835266201 XPGOSHSCUZHUNY-UHFFFAOYSA-N 246.291 2.757 30 20 BFED C#C[C@@H](CC)OC(=O)[C@H](CC)CC(F)(F)F 835309313 MOSKWNLRZNUQJE-BDAKNGLRSA-N 236.233 2.920 30 20 BFED CCC[C@@H](C)[C@@H](C)OC(=O)c1ccc(C#N)n1C 835325413 VKHAKFZAPJFDKU-GHMZBOCLSA-N 248.326 2.878 30 20 BFED C=CCOCCOC(=O)[C@@H]1CCC[C@@H]1CCC 835454090 DQYNQPZRSVGLNI-QWHCGFSZSA-N 240.343 2.949 30 20 BFED C#CCCCCCCOC(=O)[C@H]1CCCOC1 835710409 GKSDLAGSZLIBCR-ZDUSSCGKSA-N 238.327 2.540 30 20 BFED C=CC(C)(C)COC(=O)/C=C/c1cccnc1 835723849 CMXPCSKWDDRCDN-BQYQJAHWSA-N 231.295 2.850 30 20 BFED CC[C@@](C)(COC(=O)c1ccc(C#N)cc1)OC 835957930 RSVLNIJDOFPUHR-AWEZNQCLSA-N 247.294 2.530 30 20 BFED C#CCCCNC(=O)N[C@H](CC)C1CCCC1 836329892 LDYDSNYGGZJVHN-CYBMUJFWSA-N 236.359 2.668 30 20 BFED CCc1ccc(NC(=O)C#CC2CC2)cc1 837308632 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20 BFED C=C(C)CCC(=O)Oc1ccc2c(c1)OCCO2 1337833158 XOPLFUPDXSQKRI-UHFFFAOYSA-N 248.278 2.720 30 20 BFED N#Cc1ccc(C(=O)NCC2=CCCC2)c(F)c1 1339078416 WHWBPBNNPIMSJY-UHFFFAOYSA-N 244.269 2.537 30 20 BFED C#CCC[C@@H](C)OC(=O)c1csc(C#N)c1 1348231089 VSRBDERCUXWNQI-SECBINFHSA-N 233.292 2.578 30 20 BFED C=CCN(C)Cc1cccc(OC)c1C 1354634575 CNXCMLCXVOPDIJ-UHFFFAOYSA-N 205.301 2.621 30 20 BFED C=C(C)CCC(=O)N1CCc2ccccc2C1 1356548706 SKXNENLZRWZBNM-UHFFFAOYSA-N 229.323 2.928 30 20 BFED CC[C@H]1CCC[C@H](CNc2n[nH]cc2C#N)C1 1461491213 HJKDBPCUMVMKKJ-QWRGUYRKSA-N 232.331 2.910 30 20 BFED C=C(CC)C(=O)Nc1c(C)cnn1CC1CC1 1520942443 ZTKQJZJGUXKXOW-UHFFFAOYSA-N 233.315 2.506 30 20 BFED C=C(CC)C(=O)N1CCC[C@@H]1c1cccnc1 1527410454 RFLQXEJHKUGKMI-CYBMUJFWSA-N 230.311 2.711 30 20 BFED C[C@H](N)CSc1c(Cl)cccc1C#N 1576163565 DLMZGWIPPOTSOH-ZETCQYMHSA-N 226.732 2.651 30 20 BFED C#CCCCCN[C@@H](C)CC(C)(C)CC(=O)O 1588446384 JFMGHFKZMMWPJS-LBPRGKRZSA-N 239.359 2.659 30 20 BFED C=C(C)c1cc(C)c(-c2nn[nH]n2)c(C)c1 1609051655 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30 20 BFED C[C@H](C#N)CNC(=O)c1ccc2ccccc2c1 54157202 BTMZQEFTDBOFDO-LLVKDONJSA-N 238.290 2.729 30 20 BFED CSc1ccc(CN[C@H](C)CC#N)cc1 68613456 XMHWDMVWTVEHMZ-SNVBAGLBSA-N 220.341 2.800 30 20 BFED C#CC(C)(C)NC(=O)/C=C/c1ccc(Cl)cc1 70118100 FDEBMTRTCKETBT-JXMROGBWSA-N 247.725 2.881 30 20 BFED C=CCN(CC=C)C(=O)NCc1ccccc1F 78400153 JBRUQDRRCYWUGR-UHFFFAOYSA-N 248.301 2.709 30 20 BFED CN(CCCC(C)(C)C#N)CC(F)(F)F 87608511 WGQUGFIGBHEXHR-UHFFFAOYSA-N 222.254 2.810 30 20 BFED C=CCCc1csc(CCCOC)n1 90065535 SABLDQOJPQMBRV-UHFFFAOYSA-N 211.330 2.841 30 20 BFED C=CCN(CC=C)c1nc(C2CC2)ns1 92581621 LHXVKRGWLYTUNC-UHFFFAOYSA-N 221.329 2.594 30 20 BFED C=CCN1CCC[C@H]1COc1ccccc1 112985095 KEEVTXFNSCREQU-ZDUSSCGKSA-N 217.312 2.716 30 20 BFED C=C(C)CNC(=O)[C@@H]1CCCc2sccc21 123069726 XJOBBZNPICNFNB-LLVKDONJSA-N 235.352 2.860 30 20 BFED CC[C@@H]1CCN(CCOc2cccc(C#N)c2)C1 125467854 RYTUWYQDRXAPBV-CYBMUJFWSA-N 244.338 2.669 30 20 BFED CS[C@H](C)CNCC(C)(C)CCC#N 128140081 GDDJAPRLDYZSHB-SNVBAGLBSA-N 214.378 2.657 30 20 BFED C=C[C@H](C)NCc1ccc(OC)c(C)c1 130502101 ZOGCWSYATRKKIR-NSHDSACASA-N 205.301 2.668 30 20 BFED N#Cc1cc(F)c(NC2CC=CC2)c(F)c1 131101674 AQVMQJKVCDTSEE-UHFFFAOYSA-N 220.222 2.967 30 20 BFED CC#CCN[C@@H](C)c1cccc(F)c1F 132402063 VJEXSHMDKDQABF-VIFPVBQESA-N 209.239 2.639 30 20 BFED CC(C)(C)c1ccccc1C(=O)NCCC#N 132680502 VLQWEPBAZIYLOO-UHFFFAOYSA-N 230.311 2.628 30 20 BFED CSC[C@H]1CCCN1Cc1cccc(C#N)c1 135430480 SQQNSBCNENFPDJ-CQSZACIVSA-N 246.379 2.886 30 20 BFED CCNC(=S)Nc1ccc(C#N)c(Cl)c1 135470546 PJBKPULIPORRDE-UHFFFAOYSA-N 239.731 2.518 30 20 BFED CC[C@@](C)(C#N)C(=O)NCCCc1ccccc1 136198004 HQTJDTLNMAHUGL-HNNXBMFYSA-N 244.338 2.675 30 20 BFED Cc1ccc(F)cc1CN(CCC#N)CCC#N 152852823 QYHYWMGYHVKEPH-UHFFFAOYSA-N 245.301 2.763 30 20 BFED C=CC[C@H](C)NC(=O)N1CCC2(CCC2)C1 153939026 NHDUWSAGDYHDDL-NSHDSACASA-N 222.332 2.537 30 20 BFED CCCCCCCC(=O)OC[C@H](C)OC 155618481 JUXLQFQHTORLQL-NSHDSACASA-N 216.321 2.925 30 20 BFED CC#CCN(C)[C@@H](C)c1ccc(F)c(F)c1 157550574 PARVBPYDFXPMTM-JTQLQIEISA-N 223.266 2.981 30 20 BFED C=CCCNC(=O)c1cc(C)c(F)cc1F 162230307 KEWKRKSRCFAVLU-UHFFFAOYSA-N 225.238 2.579 30 20 BFED C#CCOC(=O)C1(c2cccc(C)c2)CCCC1 170709994 WGUHZFMLNAGLIT-UHFFFAOYSA-N 242.318 2.983 30 20 BFED CCC(CC)CN(CCC#N)Cc1ccon1 173555534 IXYBFPHAVONOTB-UHFFFAOYSA-N 235.331 2.826 30 20 BFED Cc1cccc(C(=O)OCC2(CC#N)CC2)c1 174743214 LCIDLUPLYMQSJP-UHFFFAOYSA-N 229.279 2.846 30 20 BFED N#C[C@@H](NC(=O)C1CC=CC1)C1CCCCC1 176608619 NEXPIFNVIOEVIJ-CYBMUJFWSA-N 232.327 2.541 30 20 BFED CO[C@H](C)CSCc1cc(C#N)ccc1F 181146178 RWPXSGOINYFGRR-SECBINFHSA-N 239.315 2.965 30 20 BFED C=C(Cl)CN(C)C[C@@H](C)c1nccs1 184014330 AQIVDUORZLEMBE-MRVPVSSYSA-N 230.764 2.931 30 20 BFED CC[C@H](C)N(C(=O)CSCC#N)[C@H](C)CC 184939808 LZXSUKYHXYBZFV-PHIMTYICSA-N 242.388 2.669 30 20 BFED C#CCC(C)(C)C(=O)NCC1(CCC)CC1 185849981 MUDHENKTPLAGLO-UHFFFAOYSA-N 221.344 2.732 30 20 BFED C#Cc1cccc(NCc2ccc(F)nc2)c1 189176484 ATZMXOGHLJSDGB-UHFFFAOYSA-N 226.254 2.814 30 20 BFED C#CCN(C)C(=O)c1cc2cc(C)c(C)cc2o1 191099592 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BFED C=CCN1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 269651941 MNHMOMQAZKQJPX-CABCVRRESA-N 249.329 2.900 30 20 BFED C#CCCN1CCC(n2c(C)ccc2C)CC1 270680510 YNFDVZJPVJFZHP-UHFFFAOYSA-N 230.355 2.765 30 20 BFED CC(C)=CCCNc1ccc(C#N)cn1 276723193 KSFXOHQCDXRRFF-UHFFFAOYSA-N 201.273 2.721 30 20 BFED C=CC[C@@H]1N(Cc2cc[nH]n2)CCCC1(C)C 278623406 HLZXEZWMQIZHOT-ZDUSSCGKSA-N 233.359 2.976 30 20 BFED CC(C)(C)[C@@H]1CCCN(c2nccnc2C#N)C1 280287417 QGFSKRJBCYWTHY-LLVKDONJSA-N 244.342 2.611 30 20 BFED Cc1oc(C#N)cc1C(=O)NC1CCCCCC1 281748961 JTEQJAVNTYMAMI-UHFFFAOYSA-N 246.310 2.912 30 20 BFED CC[C@H]1CCC[C@@H]1Nc1cc(C#N)ccn1 288019940 WKFLDCCSPDCTIM-RYUDHWBXSA-N 215.300 2.944 30 20 BFED Cc1nc(N2CC[C@H](C)[C@H](C)C2)ccc1C#N 292057745 WJZANCKCRUXLOZ-WDEREUQCSA-N 229.327 2.744 30 20 BFED CC#CCN(C)C(=O)c1cc2cccc(C)c2o1 294358563 BICQIVHWTFEIAB-UHFFFAOYSA-N 241.290 2.837 30 20 BFED C[C@@H]1[C@@H](Nc2nccc(C#N)n2)CCC[C@H]1C 296664587 YTTBJFQPYZPFDB-SCVCMEIPSA-N 230.315 2.585 30 20 BFED CC[C@H](NCCC#N)c1cc(F)ccc1F 299179320 YYHUOMAZNFTZRA-LBPRGKRZSA-N 224.254 2.919 30 20 BFED Cc1ccc(OCCO[C@@H](C)C#N)c(C)c1 304244007 OPSMUTBUNQCQFY-LBPRGKRZSA-N 219.284 2.611 30 20 BFED CCn1ccnc1CNc1cc(C)cc(C#N)c1 308112767 QAIHDMGMIJXJCS-UHFFFAOYSA-N 240.310 2.695 30 20 BFED C=CCC(C)(C)C(=O)OC/C=C/Cl 308298619 YTUQCEXGQRURQG-FNORWQNLSA-N 202.681 2.884 30 20 BFED CO[C@H](C)CSCCC(C)(C)C#N 308448537 CGQZRQLMHQEPDY-SECBINFHSA-N 201.335 2.694 30 20 BFED N#C[C@@H]1CC[C@@H](Nc2ccc(Cl)nc2)C1 308871376 JXMKNQKFPVVQNH-RKDXNWHRSA-N 221.691 2.839 30 20 BFED Cc1cc(OCCC#N)c(Cl)cc1[N+](=O)[O-] 309216947 PNMFWPQTWZDCJD-UHFFFAOYSA-N 240.646 2.849 30 20 BFED CC(C)(O)CCOc1cc(Cl)cc(C#N)c1 309477108 YODXGIRFADNTDQ-UHFFFAOYSA-N 239.702 2.751 30 20 BFED C[C@@H](Nc1ccnc(C#N)n1)c1ccccc1 310136602 JEHQHURHAODSBU-SNVBAGLBSA-N 224.267 2.521 30 20 BFED C[C@@H]1C[C@H](Nc2cccc(CC#N)c2)CCN1C 313433271 FLXUQDJARMQZAD-IUODEOHRSA-N 243.354 2.647 30 20 BFED CSCCCSc1ncccc1C#N 320507356 FPNOLJKAHMOZBM-UHFFFAOYSA-N 224.354 2.798 30 20 BFED C[C@H](C#N)CN[C@@H]1CCCC12CCCC2 328174263 LMEYVKVNPWVYQN-VXGBXAGGSA-N 206.333 2.849 30 20 BFED CCCC1(/C(O)=N/[C@@H]2CCc3c[nH]nc3C2)CC1 329894862 BOCKYXBRGLIZBJ-LLVKDONJSA-N 247.342 2.804 30 20 BFED CC1(CNC(=O)[C@@]2(C#N)CC23CCCC3)CCC1 333595179 UEJIMSBDSVNLTA-HNNXBMFYSA-N 246.354 2.767 30 20 BFED Cc1cc(F)ccc1[C@@H]1CCCN1CC#N 334633070 GYJANKPHUVJDFF-ZDUSSCGKSA-N 218.275 2.795 30 20 BFED C=C(C)CCNC(=O)N1CC[C@H](C)C(F)(F)C1 334694719 AJUJXNQAPIWRDX-JTQLQIEISA-N 246.301 2.639 30 20 BFED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C)cn1 336096028 ZUIHAJPEESBTOV-GFCCVEGCSA-N 245.326 2.962 30 20 BFED Cc1ccc2c(c1)CCN(c1cnccc1C#N)C2 336213929 UCPCFVSYKZTJRI-UHFFFAOYSA-N 249.317 2.824 30 20 BFED C=CCCCN=c1[nH]c2cccc(F)c2n1C 336921592 HIORRWVRWZRFSL-UHFFFAOYSA-N 233.290 2.512 30 20 BFED C=CCOCCN(C)[C@H](C)CCSCC 339040405 MSAFSPUNTJJNPF-GFCCVEGCSA-N 231.405 2.653 30 20 BFED C=CCC(C)(C)CN[C@H](C)[C@@H]1CCCOC1 340429340 KCCQLYPXOWEWHQ-CHWSQXEVSA-N 225.376 2.993 30 20 BFED CC[C@H](NCCc1cccc(C#N)c1)C1CC1 343587244 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2.734 30 20 BFED C=CCCONC(=O)[C@]1(C)CCc2ccccc21 856027489 OEMFONRNDBUSNA-OAHLLOKOSA-N 245.322 2.514 30 20 BFED C=CCCONC(=O)CC1CCCCC1 856028092 AYIHURPYYXHWEL-UHFFFAOYSA-N 211.305 2.581 30 20 BFED C#CCN(CC)C(=O)[C@@H](CCCC)C(C)C 857145098 BEFOCUYCJPYDMB-ZDUSSCGKSA-N 223.360 2.931 30 20 BFED CC#CCN(C)C(=O)/C=C(\C)c1cccs1 857273433 OQVMOESXWSKTNF-ZHACJKMWSA-N 233.336 2.633 30 20 BFED Cc1ccc(COC(=O)C#CC2CC2)cc1F 859717542 RZISCAJYSFKNAT-UHFFFAOYSA-N 232.254 2.591 30 20 BFED c1ccc(CON=C2CC[C@@H]3C[C@H]23)cc1 872340864 QQHZSDRTOGMKRP-NEPJUHHUSA-N 201.269 2.989 30 20 BFED N#Cc1ccc(CNN=C2CCC[C@H]2F)cc1 872358719 XDNOMJHSLGFIQI-GFCCVEGCSA-N 231.274 2.526 30 20 BFED C=C(C)COC(=O)C1(C)CC(F)(F)C1 873440449 WRHGSQPSISIYNY-UHFFFAOYSA-N 204.216 2.541 30 20 BFED C=CC1CCN(c2ccc(C)nc2C#N)CC1 881964918 SKMVRPSRTHPTJW-UHFFFAOYSA-N 227.311 2.664 30 20 BFED CCC(CC)Nc1ccc(C#N)cc1CO 891427502 VHGSYAWDRKPZGN-UHFFFAOYSA-N 218.300 2.651 30 20 BFED C=CC1(OC(=O)Cc2c(F)cccc2F)CC1 893362852 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CCC[C@@H](C#N)NC(=O)c1oc(C(C)C)nc1C 572019952 BUZWGPGVMHOBOY-JTQLQIEISA-N 249.314 2.529 30 20 BFED CC1(C)[C@H]2CN(C(=O)CCCCCC#N)C[C@H]21 588159415 VYVZPECFDUNZKX-TXEJJXNPSA-N 234.343 2.575 30 20 BFED C[C@H](CC#N)N(C)Cc1cc2cnccc2o1 593571263 FBTLXUZCMHZDHH-SNVBAGLBSA-N 229.283 2.562 30 20 BFED CC[C@H](CC(F)F)CN(CCC#N)CCOC 595347282 PPYBZQXGORTBJX-LLVKDONJSA-N 248.317 2.530 30 20 BFED CCN(C[C@@H](OC)c1ccccc1)[C@@H](C)C#N 595821046 SNKBMCOCCYBNQA-GXTWGEPZSA-N 232.327 2.608 30 20 BFED CC[C@H](C)CCNC(=O)c1ccc(C#N)s1 597978318 QCSPEMTYQLWACC-VIFPVBQESA-N 236.340 2.786 30 20 BFED Cc1ccccc1[C@H](CO)NC[C@H](C)CCC#N 602563062 DSCQBMPUORTSNJ-DOMZBBRYSA-N 246.354 2.558 30 20 BFED Cc1cc(NC(=O)NCC2(C#N)CCC2)cs1 603150779 ZIFKLTSEKMMUIT-UHFFFAOYSA-N 249.339 2.872 30 20 BFED C=CCCO[C@H](C)C(=O)NCCCC(C)(C)C 606874716 YNOBZQAWULRVKH-GFCCVEGCSA-N 241.375 2.910 30 20 BFED COc1ccc(C)cc1CN[C@H]1CC[C@@H](C#N)C1 613661392 JGDPEFIXCRGSRJ-OCCSQVGLSA-N 244.338 2.786 30 20 BFED C=C(C)CCNC(=O)[C@@H](C)c1nc(C)cs1 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CC(C)N(C)C[C@H](C)N[C@H](C)CC(C)(C)C#N 695844109 UJLRGRZYZVGSRX-OLZOCXBDSA-N 239.407 2.633 30 20 BFED C#CCCCCN[C@H](C)c1nc(C)cs1 701940488 KNLBLXGIRJFAPY-LLVKDONJSA-N 222.357 2.906 30 20 BFED CC(C)(C)n1cc(C=NNC2CCCC2)cn1 727651507 BZZQDRYLOILSLA-UHFFFAOYSA-N 234.347 2.504 30 20 BFED CC(=NNc1ccc(F)cn1)c1cncc(F)c1 737432187 XFXANULWJGFXDD-UHFFFAOYSA-N 248.236 2.591 30 20 BFED c1cnnc(NN=C2CCC[C@H](C3CC3)C2)c1 737435016 YUXLKHRLBMANOT-NSHDSACASA-N 230.315 2.845 30 20 BFED C#CCCCOC(=O)[C@H](C)Cc1ccccc1F 739154506 XZMVVGNOTYXKTQ-GFCCVEGCSA-N 248.297 2.961 30 20 BFED CC(=NNCC(F)F)c1ccc(C)cc1 740617994 IIZIHWIZTYFLAG-UHFFFAOYSA-N 212.243 2.574 30 20 BFED CC#CCOC(=O)c1cc2c(s1)CCCC2 744454933 OXQKACOYALAERV-UHFFFAOYSA-N 234.320 2.807 30 20 BFED CCCCCCCCC(=O)N1CC(N(C)C)C1 765389663 LVOJXLOEBDEDIL-UHFFFAOYSA-N 240.391 2.509 30 20 BFED C#C[C@@H](C)N(C)c1ccnc(-c2ccccc2)n1 767441160 ZCNGPNVIJCVFQK-GFCCVEGCSA-N 237.306 2.602 30 20 BFED CC(CC1CC1)=NNCc1ccc(C#N)cc1 769816536 VCIHBBHNGGYCIC-UHFFFAOYSA-N 227.311 2.824 30 20 BFED Cc1ccc2c(C=NNC[C@@H](C)C#N)c[nH]c2c1 771096316 CNEPYVWZXQQJEL-NSHDSACASA-N 240.310 2.560 30 20 BFED C=C(CC)COC(=O)CCc1nccs1 773498356 JGEUNJUYHOWVFQ-UHFFFAOYSA-N 225.313 2.585 30 20 BFED CCOCCON=C[C@@H]1CCCC[C@@H]1C 774418186 SMJZGMIKCOBKSU-RYUDHWBXSA-N 213.321 2.852 30 20 BFED C[C@H]1CCCC(=NOC2CCOCC2)C1 774444842 PYGDWLJABRCSCG-JTQLQIEISA-N 211.305 2.748 30 20 BFED N#CC1(COC(=O)c2ccc3[nH]ccc3c2)CC1 775856814 KSWDAIXSAFDPGO-UHFFFAOYSA-N 240.262 2.628 30 20 BFED CCCCNN=C(C)c1ccc(C#N)c(F)c1 776766349 FTJUIVAZMOVNID-UHFFFAOYSA-N 233.290 2.811 30 20 BFED Cc1ccoc1C=NNc1ccc2[nH]ncc2c1 779812202 OONQBJXVJDISNY-UHFFFAOYSA-N 240.266 2.910 30 20 BFED COC1CCC(=NN[C@@H]2C[C@H]3CC[C@H]2C3)CC1 783858844 GQLMZUFCUCYCEL-IVDDLPAQSA-N 236.359 2.710 30 20 BFED CC(C)(C#N)CCCOC(=O)[C@@H]1CCCS1 783948810 IZUWZEVNDKVDAQ-JTQLQIEISA-N 241.356 2.755 30 20 BFED CC(C)[C@@H](F)C(=O)Nc1ccc(F)cc1C#N 784126601 AOASSYAIZIEQGZ-LLVKDONJSA-N 238.237 2.630 30 20 BFED COCCON=C(CC(C)(C)C)C1CC1 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BFED CCCCC[C@@H](CC)C(=O)N(C)[C@H](C)C#N 839368170 WWBAQTIWDWKWOD-VXGBXAGGSA-N 224.348 2.963 30 20 BFED C#CCCCCNC(=O)N1CC(C)(C)C[C@H]1C 840324569 UGRAVJSUZQAMBQ-GFCCVEGCSA-N 236.359 2.620 30 20 BFED CCc1noc([C@@H](C#N)CCc2ccccc2)n1 841732915 PROWPSZYWSODLF-GFCCVEGCSA-N 241.294 2.872 30 20 BFED CCN(CCO)N=Cc1ccc(C(C)(C)C)cc1 842534752 XIXMXOLFABTMJD-UHFFFAOYSA-N 248.370 2.632 30 20 BFED C=C[C@@H](C)ON=Cc1ccc(C)cc1OC 844619626 BSGGCDXJQJNEJQ-LLVKDONJSA-N 219.284 2.929 30 20 BFED C=C[C@H](C)ONC(=O)NC[C@H]1CCC[C@H]1CC 845619947 YOWZPNBRWMTJMA-QJPTWQEYSA-N 240.347 2.618 30 20 BFED CC[C@H](C#N)C(=O)N1Cc2cccc(Cl)c2C1 846161227 WSNIQAORXATYBH-SECBINFHSA-N 248.713 2.732 30 20 BFED C/C(=C/c1ccco1)C(=O)N[C@H](C#N)CC(C)C 846945733 PUJHFVIADRXXRG-KGTBHZDVSA-N 246.310 2.737 30 20 BFED N#C[C@@H](C(=O)CCCF)c1nc2ccccc2o1 850782384 LZSWZMXJRHHRRL-VIFPVBQESA-N 246.241 2.754 30 20 BFED C#C[C@](C)(CC)NCc1nnc(C(C)C)s1 852103427 HTHWSBRTHHSISO-GFCCVEGCSA-N 237.372 2.553 30 20 BFED 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240.391 2.939 30 20 BFED C#CCCCCN[C@H](C)c1cc(O)ccc1F 872050199 ZPZWNSULRAEIFR-LLVKDONJSA-N 235.302 2.985 30 20 BFED C=CCCC(=O)O[C@@H]1CCC[C@H](OCC)C1 873594938 GLWYRPGKVRNVQO-NWDGAFQWSA-N 226.316 2.844 30 20 BFED C=CC(C)(C)CC(=O)Nc1c(C)noc1C 878660340 SEUKWBPYPNWQGX-UHFFFAOYSA-N 222.288 2.832 30 20 BFED Cc1cccc(C)c1CN(C)C(=O)C#CC(C)C 887957660 JMPAQDOHPQTGSX-UHFFFAOYSA-N 243.350 2.921 30 20 BFED CS[C@H]1CC[C@@H](Nc2cc(C)cc(C#N)n2)C1 892696758 KZWOTTIPUNSGLL-PWSUYJOCSA-N 247.367 2.958 30 20 BFED C=CC1(OC(=O)Cc2cccc(COC)c2)CC1 893363898 IIMWZHMBNJJPRE-UHFFFAOYSA-N 246.306 2.637 30 20 BFED C=C(C)CCc1noc([C@](C)(O)C2CCC2)n1 896282944 ZUJKJRQPACKPJS-CYBMUJFWSA-N 236.315 2.586 30 20 BFED C=C[C@H](CC)Cc1nc(C2CCOCC2)no1 901939941 HZAQXXPAOZUJDD-SNVBAGLBSA-N 236.315 2.718 30 20 BFED CC[C@H](NC1(COC)CC1)c1cccc(C#N)c1 902919777 PGOWPVASYMHWFG-AWEZNQCLSA-N 244.338 2.778 30 20 BFED CC[C@H](NCCF)c1cccc(C#N)c1 902978579 IEQSEYZJQOUZFA-LBPRGKRZSA-N 206.264 2.568 30 20 BFED COc1ccsc1[C@H](C)NCC(C)(C)C#N 903102405 YFXPMAYSIZZTPK-VIFPVBQESA-N 238.356 2.957 30 20 BFED C=CCCC[C@@H](N)C(=O)NC1CCCCCC1 911941760 CXPCXSMCTGYWSP-CYBMUJFWSA-N 238.375 2.509 30 20 BFED CCC/C(C)=C\C(=O)N(C)C1(C#N)CCC1 921165508 LMDRZNUSFXAITR-LUAWRHEFSA-N 220.316 2.637 30 20 BFED C=CCCNC(=O)Nc1cnn(C2CCCC2)c1 923221879 BAAZGKMHSPAZBF-UHFFFAOYSA-N 248.330 2.696 30 20 BFED C#Cc1ccc(NC(=O)N2CC(C)(CC)C2)cc1 934925015 FBZLOFOMMPFDGL-UHFFFAOYSA-N 242.322 2.932 30 20 BFED C=CCOc1ccc(OC(=O)[C@@H](F)CC)cc1 1121037142 CUSCXFBXFCBLSG-LBPRGKRZSA-N 238.258 2.905 30 20 BFED C#CCCCCC(=O)OC[C@H](OC)C1CCC1 1123094715 QUDJJCKNZAFZQJ-ZDUSSCGKSA-N 238.327 2.538 30 20 BFED C=C(CC(C)C)C(=O)N[C@@H]1C[C@H]1C1CCC1 1142773355 QFIDRHWDPXZDJR-QWHCGFSZSA-N 221.344 2.894 30 20 BFED Cc1ccc(CSCC2(C#N)CC2)nc1 1320670759 WJGAEPWEERURQJ-UHFFFAOYSA-N 218.325 2.927 30 20 BFED CC(C)[C@@H](C#N)C=NNc1cccc(Cl)n1 1324142437 FIRWKYBYYRNRKW-VIFPVBQESA-N 236.706 2.928 30 20 BFED C=CCC1(C(=O)NOC(C)(C)C)CCCC1 1324485920 GYTBJNNKEDXORL-UHFFFAOYSA-N 225.332 2.969 30 20 BFED C=C(C)CCNCc1cccn1C1CC1 1330534359 ZHLGJSDCFQSFOQ-UHFFFAOYSA-N 204.317 2.879 30 20 BFED C=CCN(Cc1cccs1)C(=O)[C@H]1C[C@@H]1F 1337800366 YFSFMMBMXRPUME-QWRGUYRKSA-N 239.315 2.621 30 20 BFED CC(C)C[C@H](C)CC(=O)[C@@H](C#N)c1nccn1C 1342924867 ORSMBYLLTPDACR-NWDGAFQWSA-N 247.342 2.669 30 20 BFED C=C[C@@H](CC(=O)OCC(C)(C)O)c1ccccc1 1345863289 XEYVULHUMFNXNC-LBPRGKRZSA-N 248.322 2.660 30 20 BFED C=C(CC(C)C)C(=O)NCc1nc(C)cs1 1347302634 COQGHADQHMUVOG-UHFFFAOYSA-N 238.356 2.670 30 20 BFED C=C(C)CCOC(=O)[C@H]1CCOC(C)(C)C1 1347323726 KSLXVNPIYFJGMC-NSHDSACASA-N 226.316 2.701 30 20 BFED C=C[C@@H](CC)CC(=O)OCc1cc(C2CC2)n[nH]1 1349036690 ZGVRBYMZHWBTIO-JTQLQIEISA-N 248.326 2.933 30 20 BFED C=C1CCC(C(=O)N(CC)[C@H](C#N)CC)CC1 1349908279 YBCVONREDOKUPD-ZDUSSCGKSA-N 234.343 2.883 30 20 BFED C=C(C)CCC(=O)OC[C@]1(C)C[C@@H]1F 1515395884 YSMDPRRLTLHCHM-ONGXEEELSA-N 200.253 2.634 30 20 BFED CC(C)(CC#N)COC(=O)[C@@]12CCC[C@@H]1C2 1525294417 PBLXWDGVLWJBKD-ZWNOBZJWSA-N 221.300 2.660 30 20 BFED C=CC[C@H](C)OC(=O)c1ccc(C(=O)O)cc1 1588735756 KAWUZMFHTWJJCJ-VIFPVBQESA-N 234.251 2.506 30 20 BFED C=CCCCCN1CC[C@@](CC=C)(C(=O)O)C1 1776207802 QPRMEXHNCGVBPH-CQSZACIVSA-N 237.343 2.696 30 20 BFED C=C(C)COc1cccc(C(=O)N2CCCC2)c1 10372911 VBNYLUYDEMNVFK-UHFFFAOYSA-N 245.322 2.878 30 20 BFED C=C(Br)CN[C@@H](C)C(C)C 37681214 FIJNQDAWCAULSC-QMMMGPOBSA-N 206.127 2.529 30 20 BFED CC(C)CNc1c(C#N)nnc2ccccc12 41529709 IUGHSJIHHYPZRU-UHFFFAOYSA-N 226.283 2.569 30 20 BFED CC[C@H](C#N)C(=O)NC12CC3CC(CC(C3)C1)C2 44809243 XAZVSWQAYNGZRA-OEXLFXSVSA-N 246.354 2.621 30 20 BFED CC(C)CN(CCC#N)C(=O)c1cccc(F)c1 48151232 BXPKCMHRERPYGA-UHFFFAOYSA-N 248.301 2.838 30 20 BFED CN(C(=O)[C@@H]1CC=CCC1)c1cccc(C#N)c1 49121608 HHTVDEBSQWVQQW-CYBMUJFWSA-N 240.306 2.877 30 20 BFED CC(C)(C)C(=O)N[C@@H](C#N)c1ccccc1F 49826415 SKUHUEOUMXOSFU-NSHDSACASA-N 234.274 2.553 30 20 BFED C=CCOc1ccccc1CNC1CCC1 52208109 PFSMDUAMOVVOBG-UHFFFAOYSA-N 217.312 2.894 30 20 BFED CCOc1ccc(CN[C@@H](CC)CC#N)cc1 54182265 MXZSWLKGJBSUSU-ZDUSSCGKSA-N 232.327 2.867 30 20 BFED C=C(C)CN(CC)C[C@H](O)c1ccc(F)cc1 66346051 YHCQXVRPWICGKX-AWEZNQCLSA-N 237.318 2.757 30 20 BFED CC(C)C[C@H]1CCN(C(=O)C2(C#N)CCC2)C1 73189024 JLRRRIKNGONMQK-GFCCVEGCSA-N 234.343 2.575 30 20 BFED N#CCCN(C(=O)C1CCC1)c1ccc(F)cc1 74393536 JBTFWWQZIHZJAZ-UHFFFAOYSA-N 246.285 2.872 30 20 BFED CO[C@@H](CNc1cccc(F)c1C#N)C(C)C 75062588 VHSQEGOTCGMXQV-ZDUSSCGKSA-N 236.290 2.780 30 20 BFED CCCCS(=O)(=O)/N=C(\O)[C@@H](C)CCC 76761950 COOPJLXAVIABEU-VIFPVBQESA-N 235.349 2.509 30 20 BFED N#CCCCN1CC[C@H](Cc2ccc(F)cc2)C1 76806291 WUYUCZHUJCTAGI-CQSZACIVSA-N 246.329 2.994 30 20 BFED Cc1cc(N(C)C)ccc1NC(=O)C(C)(C)C#N 77639709 STVOAHZIZMMJCS-UHFFFAOYSA-N 245.326 2.549 30 20 BFED C=CCOc1ccc(OC(=O)C(C)(C)C#N)cc1 81323830 YCZOQJYVKNJOKH-UHFFFAOYSA-N 245.278 2.707 30 20 BFED C#CCCN(Cc1cccs1)C1CC1 82493878 DQTBOSPOQWFEQU-UHFFFAOYSA-N 205.326 2.736 30 20 BFED N#Cc1ccc(C[S@@](=O)c2cccs2)cc1 84262462 PWFLEMAWVRMGOM-INIZCTEOSA-N 247.344 2.928 30 20 BFED C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2F)CCN1C 90795278 MLVXJQZAFQRGBV-PWSUYJOCSA-N 247.317 2.592 30 20 BFED CC[C@@H](CSC)N(C)c1cccc(C#N)n1 91022803 SLVDCRPCVWJINE-NSHDSACASA-N 235.356 2.531 30 20 BFED N#Cc1sc2ncccc2c1Br 95830970 VSPADNVBMOWRAH-UHFFFAOYSA-N 239.097 2.930 30 20 BFED C=C(CC)CN1Cc2ccccc2[C@H](C(=O)O)C1 97208283 RQWNSHYMHRMMGB-CQSZACIVSA-N 245.322 2.637 30 20 BFED CCCc1nc(C#N)ccc1Br 98177695 JQYRLLCHYJZUQY-UHFFFAOYSA-N 225.089 2.668 30 20 BFED CCCN/C(N)=N/C[C@H](c1ccccc1)C(C)C 104174054 YDNVZTVREQRNKX-AWEZNQCLSA-N 247.386 2.741 30 20 BFED C=CCOC(=O)c1ccccc1OCC=C 113254407 NNVTZCWPUWXWAE-UHFFFAOYSA-N 218.252 2.594 30 20 BFED C=CC[C@H](C)NC(=O)C1(c2cccc(F)c2)CC1 116851579 WOVFFDKUTGWNTJ-NSHDSACASA-N 247.313 2.938 30 20 BFED C=CC[C@@H](C)NC(=O)CCc1ccccc1 116863863 VZBDYHUSIMICPF-GFCCVEGCSA-N 217.312 2.700 30 20 BFED C[C@@H]1CCC[C@@H](Cn2cccc(C#N)c2=O)C1 120063017 UFDDLKLKRIZURU-VXGBXAGGSA-N 230.311 2.546 30 20 BFED C=CCC[C@H](NC[C@H](O)[C@H](C)CC)C1CC1 121144708 YKNXUWSNQJCIOZ-XBFCOCLRSA-N 225.376 2.728 30 20 BFED C=CCN(C)C(=O)Nc1ccc(F)cc1F 122356620 DAZMNEYFRSCMEK-UHFFFAOYSA-N 226.226 2.615 30 20 BFED CC1CC(C#N)(C(=O)N(C)CC2CCCC2)C1 122366586 HDPGFCBUVDHPFO-UHFFFAOYSA-N 234.343 2.575 30 20 BFED C=C(C)CNC(=O)CCSc1ccccc1 123061109 ZEVRSYLAAXXKCK-UHFFFAOYSA-N 235.352 2.861 30 20 BFED CN(CC(C)(C)CCC#N)[C@H]1CCSC1 130645186 JUAACJNDCRNEKI-NSHDSACASA-N 226.389 2.754 30 20 BFED C[C@@H](CNc1nc2c(cc1C#N)CCC2)C1CC1 132810606 VLEWCYYFVKEGPL-JTQLQIEISA-N 241.338 2.900 30 20 BFED C[C@H]1C[C@H](C)N(CCOc2ccc(C#N)cc2)C1 134969498 VSEDYPVFTFQISZ-STQMWFEESA-N 244.338 2.667 30 20 BFED Cc1ccnc(NCc2cccs2)c1C#N 135061829 FPQKFENKWUDVTI-UHFFFAOYSA-N 229.308 2.935 30 20 BFED C=C(Br)CNCCC(C)(C)C 136131160 MUDPZHPFVLNKQU-UHFFFAOYSA-N 220.154 2.921 30 20 BFED C[C@@H](N[C@H](C)c1ncc[nH]1)c1ccc(C#N)cc1 139030147 GRKSZTNMUKLBMC-GHMZBOCLSA-N 240.310 2.693 30 20 BFED C=C[C@H](C)NC1CC(C#N)(c2ccccc2)C1 139193644 KXHVHWIQUUOXIP-GRTSSRMGSA-N 226.323 2.774 30 20 BFED C=CCCOCC(=O)N(C)[C@H](C)c1ccccc1 143250737 YSCBVTHUYBXNRZ-CYBMUJFWSA-N 247.338 2.799 30 20 BFED COc1ccccc1OC[C@H](C#N)CCC#N 152703464 CSKRXVJDLDLLRK-NSHDSACASA-N 230.267 2.518 30 20 BFED C=CCN(C)Cc1c(C)nn(CCC)c1C 154770630 UCGUKHUYQSNEDU-UHFFFAOYSA-N 221.348 2.528 30 20 BFED COc1ccc([C@@H]2CCN(CCCC#N)C2)cc1 155274819 PMOKGNIKQJFQRO-CQSZACIVSA-N 244.338 2.788 30 20 BFED CC#CCCN1CCC[C@H]1C[C@H](O)c1ccco1 156064473 GTOVRHYYECULDL-KBPBESRZSA-N 247.338 2.581 30 20 BFED CC#CCCN1CCc2c(F)cc(F)cc2C1 156484984 WOMNTTGYFWCRIF-UHFFFAOYSA-N 235.277 2.736 30 20 BFED C=CCc1ccc(OC[C@@H](O)CC)c(OC)c1 156982584 SFNNVADYFKIIDX-LBPRGKRZSA-N 236.311 2.573 30 20 BFED CCCCN(CC)c1cc(C#N)cc(C)n1 160946000 VZZGQKHDLPJWMA-UHFFFAOYSA-N 217.316 2.888 30 20 BFED CCCCCCCCNc1nccn2cnnc12 161075865 MCJKNKVIAWTTQZ-UHFFFAOYSA-N 247.346 2.897 30 20 BFED CC1CC(Nc2cccc(C#N)c2[N+](=O)[O-])C1 163746235 JLLSJQNVQFNHNY-UHFFFAOYSA-N 231.255 2.677 30 20 BFED C[C@@H](Nc1ccc(CC#N)cc1)[C@@H]1CCOC1 163924378 RMRSQHNDQYXLFU-DGCLKSJQSA-N 230.311 2.590 30 20 BFED C=C(C)COCCN[C@H](C)c1cccc(C#N)c1 164647187 MBWFOTPDALTPAA-CYBMUJFWSA-N 244.338 2.802 30 20 BFED CC#CCOC(=O)CCc1c[nH]c2ccccc12 174189992 HDEMRUWCELLNSN-UHFFFAOYSA-N 241.290 2.667 30 20 BFED CSCCCCC(=O)OCC1(CC#N)CC1 174747072 SKGKYZHLOOVZNG-UHFFFAOYSA-N 241.356 2.757 30 20 BFED C#CCN[C@@H](C)c1ccc(OCC2CC2)c(F)c1 181587908 WJADDRKMUIXQHT-NSHDSACASA-N 247.313 2.898 30 20 BFED Cc1nc(CN[C@@H]2CCC[C@@H](C#N)C2)sc1C 185844747 YVGPKQUZTBIZSK-VXGBXAGGSA-N 249.383 2.932 30 20 BFED CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc(C#N)cn1 186713631 ZYKAIYGBQNIYEU-SMDDNHRTSA-N 243.310 2.574 30 20 BFED C[C@@H]1CCC[C@H](NC(=O)C(C)(C)C#N)CC1 188924172 ZAIOKZYEOWXDPD-MNOVXSKESA-N 222.332 2.621 30 20 BFED C[C@H]1CCC[C@@H](NC(=O)C(C)(C)C#N)CC1 188924242 ZAIOKZYEOWXDPD-WDEREUQCSA-N 222.332 2.621 30 20 BFED C=CCC1(C(=O)NC[C@@H](C)SC)CCC1 189704279 ZUGYTGMQYMLZKB-SNVBAGLBSA-N 227.373 2.601 30 20 BFED CC#CCNC(=O)c1ccc(C2CCC2)cc1 189869791 AQTISMXPMMXYKA-UHFFFAOYSA-N 227.307 2.707 30 20 BFED CC#CCNC(=O)Nc1ccc(OCCC)cc1 190185351 FVJWRDKSVXDCLW-UHFFFAOYSA-N 246.310 2.620 30 20 BFED C#CCCCC(=O)Nc1ccc(F)cc1OC 192066908 CNLQZKFONLFAMR-UHFFFAOYSA-N 235.258 2.576 30 20 BFED CC(C)(C)c1noc(Cc2ccc(C#N)cc2)n1 225261990 MXXGTMMISQXPLQ-UHFFFAOYSA-N 241.294 2.830 30 20 BFED C=CC[C@H](C)NCc1ncc(Cl)s1 225350031 JCRHYVFSZNETTF-ZETCQYMHSA-N 216.737 2.851 30 20 BFED C#CCN(CC1CC1)C(=O)[C@H]1CCCC1(C)C 228863956 DUZOPMWETNGRIC-CYBMUJFWSA-N 233.355 2.685 30 20 BFED Cc1cc(C#N)nc(N[C@H](C)C2CCCC2)n1 231902093 ZNPUPZOWIPIKHU-SNVBAGLBSA-N 230.315 2.647 30 20 BFED C[C@@H]1CC(N[C@@H]2CCC[C@@H](C#N)C2)C[C@@H](C)O1 248876878 JPRVURXYUJNVRF-FDYHWXHSSA-N 236.359 2.614 30 20 BFED C[C@H](N[C@@H](C)[C@H]1CCOC1)c1ccc(C#N)cc1 253186804 IYPZOQJEQXFCRJ-HUBLWGQQSA-N 244.338 2.634 30 20 BFED O=C1/C(=C\c2cncs2)COc2ccccc21 255335599 RMVOZTFLMLKPET-UITAMQMPSA-N 243.287 2.802 30 20 BFED CCC[C@@]1(C)CCCN(/C(=N\C)NC2CC2)C1 261961077 PFNAPXSBSMEGFY-AWEZNQCLSA-N 237.391 2.626 30 20 BFED C=C(C)CN(CC)Cc1ccc(OCC#N)cc1 265058741 YJQIZBCBFJLKMI-UHFFFAOYSA-N 244.338 2.987 30 20 BFED C=CCC[C@H](O)CN1CC[C@@H](c2ccccc2)C1 268519532 FHSHLLLKTVDCGR-CVEARBPZSA-N 245.366 2.803 30 20 BFED CN(CCC1CC1)c1snc(Cl)c1C#N 269510412 SHQDDLBQDKTQSN-UHFFFAOYSA-N 241.747 2.904 30 20 BFED C=CCCCSCCn1ccnc1C 271058633 ZNGJHTZQEJHXGZ-UHFFFAOYSA-N 210.346 2.891 30 20 BFED C#CC(C)(C)NC(=O)c1ccc2c(c1)N=S=N2 271938591 OCGXFGKUKOGQQW-UHFFFAOYSA-N 245.307 2.555 30 20 BFED C#CCN(CC)[C@@H](C)c1nc2ccccc2o1 272506205 JNBXYJOTZFCXQZ-NSHDSACASA-N 228.295 2.844 30 20 BFED CC[C@H](CC#N)Nc1ncnc2cccc(F)c12 273827362 FDKKDNQBWAGXIK-SECBINFHSA-N 244.273 2.873 30 20 BFED C#CCN(C(=O)N[C@@H](C)c1ccccc1)C1CC1 274094959 IZBLDZWLGTVGKV-LBPRGKRZSA-N 242.322 2.555 30 20 BFED C=CCCN(C)C(=O)NCC(CC)CC 276139107 OBKAHHKABVIEMH-UHFFFAOYSA-N 212.337 2.640 30 20 BFED C=CCCN(C)Cc1cnn(CC(C)C)c1 276168918 SCULERZPWODGLS-UHFFFAOYSA-N 221.348 2.547 30 20 BFED C=CCCN(C)C(=O)NCCc1cccs1 276247900 CYLGRSLKVMAXBK-UHFFFAOYSA-N 238.356 2.508 30 20 BFED C/C=C(\CC)C(=O)N1CCCC(C)(C)[C@@H]1C#N 278078734 XQZQBOUNCFIXKO-JVOXIWMLSA-N 234.343 2.883 30 20 BFED C=CCCC/N=C(\N)Nc1cc(C)cc(C)c1 280753798 XMIOTRVACOPPNJ-UHFFFAOYSA-N 231.343 2.996 30 20 BFED C=CC[C@@H](CC)NC(=O)c1ccc(CC#N)cc1 281250615 GGJPWMIAHNKBFI-CQSZACIVSA-N 242.322 2.837 30 20 BFED Cc1cc(C#N)nc(NCC2(C3CC3)CCC2)n1 286303289 SQDBOSPXALGFMV-UHFFFAOYSA-N 242.326 2.649 30 20 BFED COc1ccc2c(c1F)CC[C@@H]2NCCCC#N 290410823 UFMHLGGSEZHORK-LBPRGKRZSA-N 248.301 2.715 30 20 BFED CC(C)[C@@H](C)C(=O)Nc1ccc(C#N)c(F)c1 291454237 INEWQJDPXCUUBW-SECBINFHSA-N 234.274 2.928 30 20 BFED C=C(CNC(=O)CCCC#N)c1ccccc1 293304926 NCFIGHWXAKCDBW-UHFFFAOYSA-N 228.295 2.510 30 20 BFED Cc1ccoc1CN[C@H]1CCC[C@H](C#N)C1 293883113 YUIVNDAITOTIQH-RYUDHWBXSA-N 218.300 2.760 30 20 BFED CC#CCN(C)C(=O)c1cc(C)cc(Cl)c1 294707104 XTHNILZUSYDALZ-UHFFFAOYSA-N 235.714 2.744 30 20 BFED CC#CC(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 296151826 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CN(C(=O)OC1CCC1)c1cccc(C#N)c1 322666738 JQJLGJQFKMAHPS-UHFFFAOYSA-N 230.267 2.684 30 20 BFED CCc1occc1/C(O)=N/C[C@H]1CCCC1=O 331214049 BCAVKSZUSZPYTO-SECBINFHSA-N 235.283 2.516 30 20 BFED CC1(C)C[C@H]1CNC(=O)[C@]1(C#N)CC12CCCC2 333337135 SAFRFCBLPABWCH-XHDPSFHLSA-N 246.354 2.623 30 20 BFED C=C[C@@H](C)NC(=O)c1c(C)cccc1C 334494675 YORYMIYHBIXOHZ-LLVKDONJSA-N 203.285 2.608 30 20 BFED C=C1CCN(C(=O)[C@H](C)C2CCC2)CC1 334772972 YRHIRJGCKNCLDE-LLVKDONJSA-N 207.317 2.601 30 20 BFED CC[C@H]1[C@@H](C)CCN1C(=O)NCC1(C#N)CCC1 334976245 VDGULVNTZKHBBV-RYUDHWBXSA-N 249.358 2.510 30 20 BFED Cc1ccc(C(=O)NCC2(C#N)CCC2)c(F)c1 335257732 NPSITSXSSPSSMU-UHFFFAOYSA-N 246.285 2.558 30 20 BFED C=C[C@@H]1CCCCN1C(=O)c1[nH]c(C)cc1C 335682939 LEPNVRKKKWZLFJ-GFCCVEGCSA-N 232.327 2.812 30 20 BFED C=C1CCN(Cc2ccc(CC)nc2)CC1 335733500 MWTTWMXQDPDBTN-UHFFFAOYSA-N 216.328 2.796 30 20 BFED CN(C(=O)C(C)(C)C#N)[C@@H]1CCC(C)(C)C1 336040888 IGLWZODXPBNAKR-SNVBAGLBSA-N 222.332 2.573 30 20 BFED 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30 20 BFED C=C(CC)CN1CC[C@H](O)[C@H]2CCCC[C@H]21 640099681 IMMOXLSLVXXUJK-MJBXVCDLSA-N 223.360 2.578 30 20 BFED CCC#C[C@@H](C)N1CCc2cccc(OC)c2C1 650109621 VYLURLCTTIDAJS-CYBMUJFWSA-N 243.350 2.855 30 20 BFED C=CC[C@@H]1CCCC[C@H]1NCC[C@@H](O)CC 657907008 DUQMMCRIVYNKCD-HZSPNIEDSA-N 225.376 2.872 30 20 BFED C=CC[C@@H](CC)N[C@H]1CCCn2nccc21 658002516 VOJJGGPCSZQRCN-NEPJUHHUSA-N 219.332 2.662 30 20 BFED C=CC[C@@H]1CCCN(Cc2ccc(OC)cn2)C1 661381811 PQAIKAJGQFXXRS-CYBMUJFWSA-N 246.354 2.878 30 20 BFED C=CCC1(NC(=O)CCC(C)(C)N)CCCC1 662889310 WOZHYARKWDTOJE-UHFFFAOYSA-N 238.375 2.509 30 20 BFED C=CCC1(N[C@H]2CCC[C@H]2C)CCOCC1 668552802 UDTZPWGHMQBHQL-OLZOCXBDSA-N 223.360 2.890 30 20 BFED C[C@@H](N[C@H]1C=CCC1)c1ccc(C#N)cc1 700503929 AFNQORDJLQNVHU-RISCZKNCSA-N 212.296 2.927 30 20 BFED Cc1ccc(CSC[C@@H](C)C(=O)O)cc1C#N 701834562 RHEBGCISKGGGDC-SNVBAGLBSA-N 249.335 2.821 30 20 BFED CC[C@H]1CCCC(=NNc2cccnn2)C1 735973172 BBAMRNWFWRPACE-JTQLQIEISA-N 218.304 2.845 30 20 BFED 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30 20 BFED C=C[C@H](CC)CC(=O)NCc1cc(C)ccc1O 827166438 ILNHTGVMQAXDGJ-GFCCVEGCSA-N 247.338 2.919 30 20 BFED C#C[C@@H](NCCC1=CCCCC1)[C@@H]1CCCO1 828953855 LTVJMGQRESLGQW-CABCVRRESA-N 233.355 2.647 30 20 BFED C#CCCOC(=O)[C@@H]1C[C@H]1CC(C)(C)C 830252857 RVNPPJWEALZVKF-WDEREUQCSA-N 208.301 2.625 30 20 BFED CC1(C)CC(CNC(=O)C#Cc2cccs2)C1 830589745 QARUFGXALJUEQV-UHFFFAOYSA-N 247.363 2.652 30 20 BFED C#CCCCNC(=O)O[C@H](C)CC(C)C 830720386 RWGRGPGFNBHKMY-LLVKDONJSA-N 211.305 2.561 30 20 BFED C[C@@H]1CCC(=NNc2ncc(F)cc2F)C1 835023500 JGMVKPWZFATJSB-SSDOTTSWSA-N 225.242 2.948 30 20 BFED N#CCCCOC(=O)C1(C(F)(F)F)CCC1 835264477 IVHLYKBKETUWEM-UHFFFAOYSA-N 235.205 2.566 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)O[C@H]1CCCC1(C)C 835393005 SERVFXWHRMBTDS-WOPDTQHZSA-N 238.327 2.699 30 20 BFED N#C[C@H]1CCC[C@H](OC(=O)CSC2CC2)C1 839064226 VOBACFQGIXTRTE-UWVGGRQHSA-N 239.340 2.508 30 20 BFED C=CC(C)(C)C/N=C/c1cc([N+](=O)[O-])ccc1O 840710840 VMQMKEBIBJRPDS-RIYZIHGNSA-N 248.282 2.932 30 20 BFED 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30 20 BFED C=C[C@](C)(O)c1cn([C@@H]2C=CCCCCC2)nn1 881315140 BYMHFVOUPKJFIL-OCCSQVGLSA-N 247.342 2.733 30 20 BFED C=CC(C)(C)CC(=O)OCc1cc(OC)ccn1 884650686 RTRVJRREFZKRGS-UHFFFAOYSA-N 249.310 2.736 30 20 BFED C=C1CCC(C(=O)NC2(C3CC3)CC2)CC1 889516570 XTAJPTBJAHAICN-UHFFFAOYSA-N 219.328 2.792 30 20 BFED C=C1CCN(C(=O)N[C@H]2CCC[C@H]2CC)CC1 893613659 LQGRPONLBKNNND-OLZOCXBDSA-N 236.359 2.927 30 20 BFED C=C1CN(C(=O)C[C@@H](C)CCCCC)C1 898698982 VWNZTZKEHGNODW-NSHDSACASA-N 209.333 2.991 30 20 BFED C=CCC[C@@H](C)N[C@@H]1CCCC[C@@H]1C(=O)O 901886194 DOINBGAXHDCRPA-GRYCIOLGSA-N 225.332 2.574 30 20 BFED C=C[C@H](CC)CC(=O)OCC(=O)C1CCCC1 909525068 LPYBMTXQIRDJHR-LLVKDONJSA-N 238.327 2.891 30 20 BFED C=C[C@@H](CC)CC(=O)OCC(=O)C1CCCC1 909525069 LPYBMTXQIRDJHR-NSHDSACASA-N 238.327 2.891 30 20 BFED C=C(C)COC(=O)Cc1ccc(OC)cc1C 909996875 AMYJQEUMKSAJLZ-UHFFFAOYSA-N 234.295 2.665 30 20 BFED C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](C#N)C1 913856195 BBQHLZHWLCWPRQ-UPJWGTAASA-N 249.358 2.510 30 20 BFED Cc1nc(C=NNc2ccccc2)cs1 916245799 AWVLIHRYTYDNGH-UHFFFAOYSA-N 217.297 2.898 30 20 BFED Cc1ccc(NN=Cc2cccc(O)c2O)cc1 916250652 RXZYKFBRCPJKIU-UHFFFAOYSA-N 242.278 2.852 30 20 BFED C=CCOC(=O)COc1cc(C)ccc1Cl 916592007 FRZDXVHXEVSWSS-UHFFFAOYSA-N 240.686 2.756 30 20 BFED C[C@H](C#N)OC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 919371489 VVZRQGIBCZZPOR-IWSPIJDZSA-N 249.232 2.810 30 20 BFED C#CCN(CC)C(=O)c1ccc(CC(C)C)cc1 919876095 IXAZARFENWFFIM-UHFFFAOYSA-N 243.350 2.980 30 20 BFED CCCCCCCN[C@@H]1C[C@@H](C)n2ncnc21 925701476 AFFNWKSUWMKUAI-VXGBXAGGSA-N 236.363 2.844 30 20 BFED N#C[C@H]1CCCN(C(=O)c2ccoc2C2CC2)C1 928218846 YVTQXBZQDFJUPN-SNVBAGLBSA-N 244.294 2.533 30 20 BFED C[C@H]1CC(C(=O)N2CCC[C@H](C#N)C2)C[C@H](C)C1 928224149 UUVMJAIKRBESQJ-JHJVBQTASA-N 248.370 2.821 30 20 BFED N#Cc1ccsc1NC(=O)NC1(C2CC2)CC1 931842821 NHGVNKKQMIQKDQ-UHFFFAOYSA-N 247.323 2.684 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@@H](C)Cc1ccncc1 934209692 AKAIDPBHYQYMPF-STQMWFEESA-N 246.354 2.731 30 20 BFED C=C[C@H](CC)CC(=O)Nc1n[nH]c(C2CCC2)n1 935381874 YWJQJVBDUOPGST-SECBINFHSA-N 248.330 2.613 30 20 BFED CC(C)(C)[C@H]1CCN1c1cccc(C#N)n1 1120994097 WZYNWEFHKCNDSZ-LLVKDONJSA-N 215.300 2.578 30 20 BFED CCC#CCOC(=O)c1ccc(C(F)F)nc1 1123024366 KLLWQAAHSJRMIY-UHFFFAOYSA-N 239.221 2.589 30 20 BFED CCCCCCCN[C@@H](C)C[C@H](C)NC(C)=O 1133436775 KJCJGTXRPHUGEZ-STQMWFEESA-N 242.407 2.850 30 20 BFED C=CCNC(=O)c1cc(C)nc2cc(F)ccc12 1248605313 UCZCWNTYKDXKSI-UHFFFAOYSA-N 244.269 2.598 30 20 BFED CCN(Cc1ccccc1F)C(=O)CCCC#N 1261213423 KADXOACSDQFIMA-UHFFFAOYSA-N 248.301 2.868 30 20 BFED CCO[C@@H]1CC(=NOC(C)(C)C)[C@]12CCCO2 1261439690 SORPEYCBCUJXQP-DGCLKSJQSA-N 241.331 2.516 30 20 BFED C=CCOc1cccc(CN[C@H](C=C)COC)c1 1320592427 RHDAMUJZXKNPCG-CQSZACIVSA-N 247.338 2.542 30 20 BFED CCCCCCCC(=O)N1CC[C@H](F)C1 1325278007 LDKISPKZGOHASZ-NSHDSACASA-N 215.312 2.917 30 20 BFED C=CC[C@@H](NCC1CCCCC1)C(=O)OCC 1326382291 RZDPKPGJNKTHAP-CYBMUJFWSA-N 239.359 2.664 30 20 BFED CC(C)(C)c1nnc(-c2ccc(C#N)s2)o1 1333078241 QTVZLOZBKSPVCZ-UHFFFAOYSA-N 233.296 2.967 30 20 BFED C=C(C)CCC(=O)NCCc1cccc(OC)c1 1335726344 KGHUCPPJPJRBBG-UHFFFAOYSA-N 247.338 2.710 30 20 BFED Cc1ccc(O)c2c1[C@H](C)CC2=NNC1CC1 1337816361 PWPKQASOJJTCLC-SECBINFHSA-N 230.311 2.664 30 20 BFED CC[C@H](C#N)N(CC)C(=O)[C@@H](C)c1ccc(C)o1 1338330277 XGMMXGLIIFMBNP-NWDGAFQWSA-N 248.326 2.842 30 20 BFED C#CCCNc1ccc(N2CCCC2=O)c(C)c1 1341227919 QQKOLEOGUNOSJV-UHFFFAOYSA-N 242.322 2.557 30 20 BFED C=C(C)CCC(=O)OCc1cccnc1N(C)C 1343582970 FRXYRFSUPZLHJP-UHFFFAOYSA-N 248.326 2.547 30 20 BFED Cc1ccc(C#N)cc1C(=O)OC[C@@]1(C)C[C@@H]1F 1344953592 UTQAPEDHQUJTAR-GXTWGEPZSA-N 247.269 2.772 30 20 BFED C=C(C)CCC(=O)N[C@H](CC)CSC 1346960289 UBWADFGUVSYOJM-SNVBAGLBSA-N 215.362 2.601 30 20 BFED C=C(CC)C(=O)N1C[C@H]2CCCC[C@H]2C1 1352274140 YIUMOYLOVYYNGC-TXEJJXNPSA-N 207.317 2.601 30 20 BFED CCC[C@@H](C)C(=O)Nc1cc(C#N)cc(C)n1 1353425939 MRHQSRSDNMQKMM-SECBINFHSA-N 231.299 2.636 30 20 BFED N#Cc1cc(N2CC[C@@H]2c2ccccc2)ccn1 1458113724 PANPFQMBBZDCKY-OAHLLOKOSA-N 235.290 2.905 30 20 BFED C=C(C)CCNc1cccc(C(=O)O)c1OC 1588561710 ZIKOOUNSLSMBPY-UHFFFAOYSA-N 235.283 2.772 30 20 BFED O=C(O)c1ccsc1C=NOC/C=C\Cl 1776080400 FJVLWHIOXQYMOI-QBIKGENYSA-N 245.687 2.549 30 20 BFED C[C@H]1CCCCN1CCOc1ccc(C#N)cc1 34651753 RTTMHTPUFCMTMY-ZDUSSCGKSA-N 244.338 2.811 30 20 BFED C=CCN[C@@H](c1ccc(OC)cc1)C1CC1 35055296 DJKOXQCAHLZJME-CQSZACIVSA-N 217.312 2.922 30 20 BFED C=C(Cl)CNCc1ccccc1OC 37488796 LUJPOWSHVBZGDO-UHFFFAOYSA-N 211.692 2.537 30 20 BFED C#CCOc1ccc(CNCCC(C)C)cc1 45945985 DDGLCTZLYRMVMG-UHFFFAOYSA-N 231.339 2.834 30 20 BFED C#CCN(C)Cc1cccc(C(F)(F)F)c1 52048007 WZJJHMMFAVLTMN-UHFFFAOYSA-N 227.229 2.770 30 20 BFED N#Cc1cccc(NCc2cncs2)c1 54770011 XFKVULIXPHTDRK-UHFFFAOYSA-N 215.281 2.627 30 20 BFED C[C@@H](CNc1ccc(C#N)c(Cl)c1)N(C)C 61846151 GOTYFNKALDNMKB-VIFPVBQESA-N 237.734 2.574 30 20 BFED CN(Cc1ccc(C#N)cc1F)C1CCC1 75840906 FLGPQYNAQLBBJT-UHFFFAOYSA-N 218.275 2.682 30 20 BFED CC(C)c1ccc(N(C)C(=O)CC#N)cc1 77308310 OPLDCMIAUDPJRD-UHFFFAOYSA-N 216.284 2.686 30 20 BFED COC[C@H]1CCCN(c2ccc(F)cc2C#N)C1 78256213 FOYHUHXXFMOQAQ-NSHDSACASA-N 248.301 2.560 30 20 BFED Cc1nsc(NCC(C)(C)C)c1C#N 86254790 HVRQTPRMWPMSMA-UHFFFAOYSA-N 209.318 2.781 30 20 BFED C#CCCN[C@H]1C[C@@H](OCC)C12CCCCC2 87301367 CCRNSUQIPBMMTG-UONOGXRCSA-N 235.371 2.727 30 20 BFED Cc1cc(N)ccc1C(=O)OCCC(C)(C)C#N 87594287 AHKDGLSNPYQOQT-UHFFFAOYSA-N 246.310 2.674 30 20 BFED C[C@@H](CNC(=O)C1(C#N)CCCC1)C(C)(C)C 96604755 PDPPGMBOMPZGEJ-NSHDSACASA-N 236.359 2.869 30 20 BFED CCC(C)(C)C(=O)Oc1ccc(C#N)cc1 102600509 DEFPNXRLHDHDQM-UHFFFAOYSA-N 217.268 2.900 30 20 BFED CCN(Cc1ccc(F)cc1C#N)C[C@H](C)C#N 103141306 MLSYDHIGAAFSQK-LLVKDONJSA-N 245.301 2.679 30 20 BFED C[C@H](C1CC1)N(C)Cc1ccc(F)cc1C#N 103141517 VACHSQGFFPFYCN-SNVBAGLBSA-N 232.302 2.928 30 20 BFED C#Cc1cccc(N(C)CCCCCOC)c1 103229989 MUIZJXONOCYVMI-UHFFFAOYSA-N 231.339 2.921 30 20 BFED C=CCCCS[C@@H](C)C(=O)NCCCC 117944994 WSPOYHGMOJQYCC-NSHDSACASA-N 229.389 2.991 30 20 BFED C=CCCCOC(=O)c1cccc2c1OCCO2 117994879 DASIPQVCOQGRDF-UHFFFAOYSA-N 248.278 2.581 30 20 BFED C=C(C)CN(CC)C(=O)[C@@H](C)OCCC(C)C 121401153 NKYBRBMOQMXZEM-CYBMUJFWSA-N 241.375 2.862 30 20 BFED C[C@@H](O)C[C@H]1CCCCN1CCC(C)(C)C#N 123877600 WYDKRBYDDRIZGV-CHWSQXEVSA-N 238.375 2.552 30 20 BFED C=CCCO[C@@H](C)C(=O)N(C)C1CCCCC1 125001808 LZOCAEKVRMYSFJ-LBPRGKRZSA-N 239.359 2.759 30 20 BFED C=C(Cl)C[S@@](=O)Cc1ccc(C)cc1 126591858 IKAXZGKZLZSHJW-AWEZNQCLSA-N 228.744 2.996 30 20 BFED CC(C)CCCNCc1ccc(C#N)o1 135481403 LVTXOJSCWBRRJF-UHFFFAOYSA-N 206.289 2.677 30 20 BFED CC(C)(C)CCNCc1ccc(C#N)o1 135481634 AVNRNTLUEQQVJR-UHFFFAOYSA-N 206.289 2.677 30 20 BFED C#CCCCCNC(=O)c1cc(F)ccc1C 156508646 YCUXXRGMIBLYGU-UHFFFAOYSA-N 233.286 2.667 30 20 BFED CC(C)Nc1ccccc1O[C@H](C)C#N 161521965 GNBOEGHDRVBVRP-SNVBAGLBSA-N 204.273 2.798 30 20 BFED C=C(CC)Cn1c(=O)n(CC)c2ccccc21 163647602 CXWNBLHBJYRXHT-UHFFFAOYSA-N 230.311 2.789 30 20 BFED C=C(C)CNCc1cccc([N+](=O)[O-])c1C 167562458 CTFDWJJNGNINAJ-UHFFFAOYSA-N 220.272 2.569 30 20 BFED CC(C)(C#N)CNCc1cccc2cccnc12 168936044 CQVBEKKFTDJVQS-UHFFFAOYSA-N 239.322 2.874 30 20 BFED C#CCCCNC(=O)N[C@H](C)CCCCC 174099352 FQIIBQOWZVEUQV-GFCCVEGCSA-N 224.348 2.668 30 20 BFED C[C@@H]1CCN(Cc2ccc(F)cc2C#N)[C@@H]1C 177867110 ICICCTBUZPLCMO-GHMZBOCLSA-N 232.302 2.928 30 20 BFED CCCN(Cc1ccc(C#N)cc1OC)C1CC1 179658702 ASOFRSNRUNIKFP-UHFFFAOYSA-N 244.338 2.941 30 20 BFED C=CCCCC(=O)OCc1ncccc1C 180343032 PXLIPMDTKILKLF-UHFFFAOYSA-N 219.284 2.790 30 20 BFED Cc1cccc(CN(CC#N)C2CCCC2)c1O 180360954 CSGSUQRRTIZKIO-UHFFFAOYSA-N 244.338 2.969 30 20 BFED Cn1c(SCCCCC#N)nnc1C(F)F 181269816 VEASHEDGYMEQHV-UHFFFAOYSA-N 246.286 2.539 30 20 BFED Cc1c(C#N)cccc1NCC1CCOCC1 181455524 PNHZOLKMYNZWPA-UHFFFAOYSA-N 230.311 2.705 30 20 BFED Cc1ccc(-c2ccc(C(=O)NCC#N)s2)o1 182953995 UFHBOMLOUAUAJH-UHFFFAOYSA-N 246.291 2.570 30 20 BFED C=CCNC(=O)CSC[C@@H](C)c1ccccc1 183341277 ZGISLAWQPRJRMW-GFCCVEGCSA-N 249.379 2.826 30 20 BFED CC[C@H](CC#N)NC(=O)C(C)(C)CC(C)C 183836863 MIGYCEXVGLRNTO-LLVKDONJSA-N 224.348 2.867 30 20 BFED C[C@@H]1CC[C@@H](CN(CCC#N)Cc2ccco2)O1 188559234 PJDHRHTTZSZQQK-OCCSQVGLSA-N 248.326 2.563 30 20 BFED C/C=C(\CC)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 189094907 RAUVPBFPBRWFQN-IDPIYBODSA-N 234.343 2.931 30 20 BFED C=C[C@H](C)Nc1cc(Cl)nc(C2CC2)n1 218066968 WHRBWCDIZDALQY-ZETCQYMHSA-N 223.707 2.994 30 20 BFED C=CCCOCCNc1nccc2occc12 229870361 NVNRVRZFFCKHFJ-UHFFFAOYSA-N 232.283 2.832 30 20 BFED C=C[C@@H](C)N[C@@H]1CCCc2ccc(O)cc21 235206644 QYVJGYOJPCBGOG-QMTHXVAHSA-N 217.312 2.934 30 20 BFED N#Cc1ccc(Cl)cc1NCC1(N)CCC1 236182935 WXGUDFFSWHVAPI-UHFFFAOYSA-N 235.718 2.505 30 20 BFED COc1ccc(O)c(/C=N\Cc2ccco2)c1 255520913 JZYURVUNBLXPLS-ZSOIEALJSA-N 231.251 2.613 30 20 BFED COc1ccc(CNCC2(C#N)CCC2)cc1C 258943414 PXTRORLEMUIGNC-UHFFFAOYSA-N 244.338 2.787 30 20 BFED CC(C)Oc1ccc(CNCC2(C#N)CC2)cc1 258945016 QDUVDVCDDPQQJD-UHFFFAOYSA-N 244.338 2.867 30 20 BFED Cc1nc(C#N)cc(NC2CCCCCC2)n1 259003146 QLASKHXHQBRJQY-UHFFFAOYSA-N 230.315 2.791 30 20 BFED N#CC[C@H]1CCCN(CCc2ccccc2F)C1 260055353 OHCRFJKGXVTWNN-CYBMUJFWSA-N 246.329 2.994 30 20 BFED Cc1ccc(Oc2cc(C#N)ncn2)cc1C 260076581 KQFPIAYLCVETAZ-UHFFFAOYSA-N 225.251 2.757 30 20 BFED C=C(Cl)C/N=C(/N)Nc1ccc2c(c1)CCC2 262511818 DNUCNHSRCPSESB-UHFFFAOYSA-N 249.745 2.654 30 20 BFED C=CCNC(=O)NCC1(c2ccccc2C)CC1 263825827 SGJDRRYAKPCHJG-UHFFFAOYSA-N 244.338 2.512 30 20 BFED C=C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 264532239 YDCBJXDHJDZWST-UHFFFAOYSA-N 240.306 2.960 30 20 BFED C=CCN(CC=C)C(=O)c1cc(C(C)(C)C)on1 265975077 AYGZNOVSKQKTMG-UHFFFAOYSA-N 248.326 2.786 30 20 BFED C[C@@H]1[C@@H](Cc2ccccc2)CCN1CCC#N 266920276 IFHJEPZZSVJLQX-UKRRQHHQSA-N 228.339 2.853 30 20 BFED C#CC[C@H](NC(=O)N(CC)CC)c1ccccc1 270159585 FJBUEQZPUZUVAU-AWEZNQCLSA-N 244.338 2.802 30 20 BFED C=CCN(C(=O)c1cccc(C(C)=O)c1)C1CC1 271457681 WTWPHNDEAPENIH-UHFFFAOYSA-N 243.306 2.680 30 20 BFED N#Cc1cccc(CS[C@H]2CCCOC2)c1 272491301 SFUBLFPGQDMYFD-ZDUSSCGKSA-N 233.336 2.970 30 20 BFED COc1ccccc1CCCN(C)C[C@@H](C)C#N 272594986 NLZIPTNEOGDARR-ZDUSSCGKSA-N 246.354 2.719 30 20 BFED C=CCN(Cc1c(CC)nn(C)c1CC)C1CC1 273510599 QUZSUARBDLWDKI-UHFFFAOYSA-N 247.386 2.695 30 20 BFED CC(C)=CCC/N=C/c1ccc(O)c(O)c1O 276729990 UJCBVJHMRFPIMR-RIYZIHGNSA-N 235.283 2.579 30 20 BFED CC1CCN(c2nc(Cl)c(C#N)s2)CC1 278711459 NXYJQQKRUUTKIR-UHFFFAOYSA-N 241.747 2.904 30 20 BFED CC#CCCOc1ccccc1-c1ccnn1C 279935945 WUVJLGHOTVUBEN-UHFFFAOYSA-N 240.306 2.879 30 20 BFED C=CCNC(=O)Nc1cc(OC)c(C)cc1C 280519039 NWOBFUBIAUMGPA-UHFFFAOYSA-N 234.299 2.620 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccccn1 280956921 YIRACGQTAXNQLE-GUTXKFCHSA-N 246.354 2.713 30 20 BFED CC[C@](C)(OC)C(=O)Oc1ccc(C#N)c(C)c1 281082445 RQPAIXSSADDVHN-AWEZNQCLSA-N 247.294 2.587 30 20 BFED C=CC[C@@H](CC)Nc1ncccc1[N+](=O)[O-] 281559066 CXLVKEJTACWJIB-SECBINFHSA-N 221.260 2.756 30 20 BFED C=CCSCCN[C@H]1CC=C(C)CC1 285341950 UUYTUXXZXMKXBV-LBPRGKRZSA-N 211.374 2.994 30 20 BFED C=C[C@H](CO)N[C@H](C)c1cccc(Cl)c1 289716923 JJBUDFRQAOWZDR-BXKDBHETSA-N 225.719 2.538 30 20 BFED C=C[C@@H](CO)N[C@@H](C)c1ccc(F)cc1Cl 290009857 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C=CCN(C)Cc1ccn(-c2cccc(F)c2)n1 681696609 JFPSNNQEWGVOQT-UHFFFAOYSA-N 245.301 2.629 30 20 BFED C#C[C@H](NC(=O)/C=C/c1ccccc1F)C(C)C 700581176 YPNDXRFCWCDOAL-HBWSCVEGSA-N 245.297 2.613 30 20 BFED CCCCCCCNC(=O)c1ccc(C#N)cn1 703709498 WBZAQVDXTQRXOE-UHFFFAOYSA-N 245.326 2.653 30 20 BFED CCCCCCCC(=O)N1CCC(C)(N)CC1 704556922 KOHCQOPAECCMRL-UHFFFAOYSA-N 240.391 2.687 30 20 BFED CC(C)(C)c1cccc(C(=O)NCCC#N)c1 709447615 IGWPVSFHIAHIBR-UHFFFAOYSA-N 230.311 2.628 30 20 BFED C1CCC(NN=C2CCN(C3CCCC3)CC2)C1 727651876 SCVBXNHQFAZDHE-UHFFFAOYSA-N 249.402 2.913 30 20 BFED Cc1noc([C@@H](C)ON=Cc2cccc(F)c2)n1 736296307 CKWDTHUVKHNXTI-MRVPVSSYSA-N 249.245 2.629 30 20 BFED C#CCCCNC(=O)C[C@H]1CCCC[C@H]1C 742787916 AFLROZBGRQVOEE-CHWSQXEVSA-N 221.344 2.732 30 20 BFED FC(F)CNN=Cc1ccccc1C1CC1 751133519 PHILQBJSSFFRBU-UHFFFAOYSA-N 224.254 2.753 30 20 BFED C#C[C@H](CC)NC(=O)Nc1ccc(CC)cc1 752972451 BQKIKSQUNQLAFO-GFCCVEGCSA-N 230.311 2.782 30 20 BFED Cc1ccc(SCC(=O)O[C@@H](C)C#N)c(C)c1 753574174 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BFED C=CC(C)(C)CC(=O)NCc1cccs1 877954508 VPBIPMBOAGVHTL-UHFFFAOYSA-N 223.341 2.967 30 20 BFED C=CC(C)(C)CC(=O)Nc1cc(C#N)ccc1O 879065535 HQJVCCRNYXFNRB-UHFFFAOYSA-N 244.294 2.805 30 20 BFED CCCC(=O)c1cn(CCCC(C)(C)C#N)nn1 881391353 AUQGKGVBDSLMRY-UHFFFAOYSA-N 248.330 2.591 30 20 BFED C=C1CCC(C(=O)N(C)CC(C)(C)OC)CC1 889493278 NHIJAKDAEXAOER-UHFFFAOYSA-N 239.359 2.616 30 20 BFED C=C[C@H](CC)CC(=O)NC(C)(C)CSC 890871032 ORJWAUBQIVPOQG-SNVBAGLBSA-N 229.389 2.847 30 20 BFED CCN(CCC#N)Cc1cc(O)cc(Cl)c1 891579412 XTRFJNOIYQCPFP-UHFFFAOYSA-N 238.718 2.781 30 20 BFED CCC#CCOC(=O)[C@](C)(F)CCCC 893842911 BAKRBXGGRJURPY-GFCCVEGCSA-N 214.280 2.861 30 20 BFED C=CC(C)(C)Cc1nc(-c2ccsn2)no1 896386828 PCCOVLBVHANKQY-UHFFFAOYSA-N 235.312 2.948 30 20 BFED CCC[C@@H](CC)C(=O)Nc1ncc(C#N)s1 896495831 UOXUZXBUYGEFLO-MRVPVSSYSA-N 237.328 2.780 30 20 BFED C[C@H](CCC#N)CN[C@@H]1CCCc2cccnc21 897070089 BJBOBRDZUYNMGD-TZMCWYRMSA-N 243.354 2.988 30 20 BFED C(=NOCCC1CC1)c1cnn(C2CCC2)c1 901245862 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30 20 BFED C=CCNC(=S)Nc1cccc2c1ccn2C 726909297 HIJMOYHHOTVIGL-UHFFFAOYSA-N 245.351 2.651 30 20 BFED Cc1ccc(C=NNc2cccnn2)cc1C 735976806 MYETVLJGIKGJDT-UHFFFAOYSA-N 226.283 2.539 30 20 BFED Cc1ncsc1C=NNc1ccc(C#N)cc1 743438059 QGRGGXHEHFNNFJ-UHFFFAOYSA-N 242.307 2.769 30 20 BFED CCC/C=C/C(=O)Nc1cc(C#N)ccc1O 759716694 BPMFLAZYXUSGQX-SNAWJCMRSA-N 230.267 2.559 30 20 BFED C=C[C@H](C)NC(=O)Nc1cnc(Cl)c(C)c1 760057044 QEHAUDYYWNNQPU-QMMMGPOBSA-N 239.706 2.739 30 20 BFED C=CCCC(=O)COC(=O)CCc1ccccc1 761350537 SWRUOAVVEURUHT-UHFFFAOYSA-N 246.306 2.698 30 20 BFED Cn1cc(NN=C/C=C\c2ccccc2)cn1 761880409 AZTQVHNFGKRMGT-SWSDBWNPSA-N 226.283 2.531 30 20 BFED C=CC[C@H](N[C@@H](COC)C(C)C)c1ccncc1 766017772 CZFANOZGXWMYEE-GJZGRUSLSA-N 248.370 2.959 30 20 BFED CCON=C(C)c1ccc(N(C)C)cc1 767470243 SQBUHXDIBDBIGH-UHFFFAOYSA-N 206.289 2.513 30 20 BFED C#C[C@@H](C)NC(=O)[C@@H](CC(C)C)c1ccccc1 772968394 FYGQXFRMYZHSCX-HIFRSBDPSA-N 243.350 2.954 30 20 BFED C=C(CC)COC(=O)c1c(CC)noc1C 773475981 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2.613 30 20 BFED N#Cc1ccc(CN[C@@H]2C=CCCC2)cc1 151139311 VUIZEYWSFWQNCB-CQSZACIVSA-N 212.296 2.757 30 20 BFED C=C(C)CNC(=O)[C@H](CC)c1ccc(OC)cc1 153060109 GIAKZBFRURAJKQ-CQSZACIVSA-N 247.338 2.881 30 20 BFED C=C[C@@H](C)NC(=O)c1ccc(CSC)cc1 153993222 VKLHXDIYWSZYPS-SNVBAGLBSA-N 235.352 2.854 30 20 BFED C=CCN(C)Cn1cc(-c2ccc(C)cc2)cn1 154996221 HGWXNXIHGPLWSN-UHFFFAOYSA-N 241.338 2.934 30 20 BFED C[C@H](C(=O)N(C)C1(C#N)CCC1)c1ccsc1 157035401 NBROIZDYUPIKAG-JTQLQIEISA-N 248.351 2.756 30 20 BFED COc1cccc(/C=N/[C@@H]2C=CCCC2)c1O 158177013 OOIKXWBTEPUQOS-JXCQQFQQSA-N 231.295 2.928 30 20 BFED C=C(C)CNC(=O)[C@H](C)c1cccs1 161171553 WGBHXMFUGGUFOT-SECBINFHSA-N 209.314 2.544 30 20 BFED C[C@H]1CC(/N=C/c2ccccc2O)C[C@@H](C)O1 162453299 OPXNPTXVAWQYLX-OFFTWLKISA-N 233.311 2.767 30 20 BFED C=C[C@H](CC(=O)N[C@H](C)CC#N)c1ccccc1 179213180 FMLAKOSZSVJAOZ-CHWSQXEVSA-N 242.322 2.765 30 20 BFED C/C(=C/c1ccc(C#N)cc1)c1cnccn1 180380414 HYAMFKMWAXCSLV-FLIBITNWSA-N 221.263 2.909 30 20 BFED CC(C)N(C(=O)c1c[nH]c(C#N)c1)C1CCCC1 181535637 MKURGQJWWHKGHH-UHFFFAOYSA-N 245.326 2.680 30 20 BFED N#Cc1ccccc1/C=C/C(=O)c1ccncc1 182244620 RMXUZNNCNVTAPW-AATRIKPKSA-N 234.258 2.849 30 20 BFED C=CCCCN(C)Cc1cnn(CC(C)C)c1 183336801 MYTFVBXHRHZUIU-UHFFFAOYSA-N 235.375 2.937 30 20 BFED CC#CCCCC(=O)N[C@@H]1CCC[C@@H](C)C1 185096329 GXUSENYQDUDZQX-CHWSQXEVSA-N 221.344 2.875 30 20 BFED C=C(C)COC(=O)c1cc(NC(C)=O)ccc1C 187203990 AOSYUWRHURENKS-UHFFFAOYSA-N 247.294 2.686 30 20 BFED CC(C)CCN(CCC#N)Cc1ccc(F)nc1 189330275 GNZVSWXEGGHRFD-UHFFFAOYSA-N 249.333 2.982 30 20 BFED C=CCN(CCOC)Cc1cc(C)cc(C)c1 191760123 LXHJEVPAZWJCPF-UHFFFAOYSA-N 233.355 2.938 30 20 BFED C=CCN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 192111165 JTYVWZTYROSSLG-QWHCGFSZSA-N 239.265 2.570 30 20 BFED C[C@H](Nc1cc(C#N)cc(Cl)n1)C1CC1 215369764 VBQLJYQRCDVHFE-ZETCQYMHSA-N 221.691 2.817 30 20 BFED CC1CC(Nc2cc(F)cc(C#N)c2)C1 227629205 UHYFENJQLMSJRM-UHFFFAOYSA-N 204.248 2.908 30 20 BFED C#C[C@@H](C)N[C@@H](C)Cc1ccc(Cl)cc1 235114796 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C=CCCCNc1cccc2c1OCO2 308850860 OGNNMYIGOYZWTP-UHFFFAOYSA-N 205.257 2.793 30 20 BFED N#Cc1ccc(CN[C@@H]2CC[C@@H]2C2CC2)s1 309554637 HCOHXPFSTPZDSM-CHWSQXEVSA-N 232.352 2.898 30 20 BFED C=C[C@H](C)N[C@@H]1CCCc2c(O)cccc21 309562698 LLZKOTKHVBGQNA-GXFFZTMASA-N 217.312 2.934 30 20 BFED CC[C@H](Nc1cnc(C#N)cn1)C(C)(C)C 309715321 SPYGLJKJHFNINO-JTQLQIEISA-N 218.304 2.585 30 20 BFED C[C@@H]1C[C@@H](C)N1c1nccc(C#N)c1Cl 334236674 IFCAXZPWOFXAPU-HTQZYQBOSA-N 221.691 2.594 30 20 BFED C[C@@H]1CN(C(=O)NCC2(CC#N)CC2)C(C)(C)C1 334603461 YYSIHZKJOOXLLQ-NSHDSACASA-N 249.358 2.510 30 20 BFED CC#CCCN1CCC[C@@]2(CCSC2)C1 334656724 YCLHBBCVCSYZFV-CYBMUJFWSA-N 223.385 2.619 30 20 BFED C[C@H]1CC[C@H](N(C)CC2(C#N)CCC2)C1 334794159 IWVMOKBEMURJFR-RYUDHWBXSA-N 206.333 2.801 30 20 BFED Cc1ccc(C#N)cc1NC(=O)NCC1(C)CC1 335809560 MOXXOIPZQDJMSG-UHFFFAOYSA-N 243.310 2.788 30 20 BFED C[C@@H](C#N)C(=O)NC1(c2cccc(Cl)c2)CC1 336017342 OMSQHCYXZVGLMV-VIFPVBQESA-N 248.713 2.605 30 20 BFED CSC1(C(=O)Nc2cccc(C#N)c2)CCC1 336466812 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30 20 BFED N#CC1(CN(CCC(F)(F)F)CC2CC2)CC1 343320300 LPLWNBMXKTUMIM-UHFFFAOYSA-N 246.276 2.955 30 20 BFED C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](C)C1 344112504 QDXQZVBLQAEJFF-NQBHXWOUSA-N 209.333 2.703 30 20 BFED C=C(C)C[C@H](C)C(=O)NC(C)(C)C(C)(C)CO 344259187 CCBAFGLLEILSPZ-NSHDSACASA-N 241.375 2.502 30 20 BFED C[C@H](CCC1CC1)NC(=O)C1(C#N)CCCC1 346540855 ZRPCFMCTRMIXLW-LLVKDONJSA-N 234.343 2.765 30 20 BFED C=CCN1CC[C@@H](SCCCC(C)C)C1=O 347782907 XWJGYHJWZDZYBV-GFCCVEGCSA-N 241.400 2.943 30 20 BFED Cc1cnc([C@H](NCC2(C#N)CC2)C2CC2)s1 347952514 FBRJFEPNRUGJBO-LLVKDONJSA-N 247.367 2.796 30 20 BFED C=CCOCCCN(C)Cc1ccccc1OC 347961229 HHXKAGVRIJYAAR-UHFFFAOYSA-N 249.354 2.720 30 20 BFED C=C(C)CCN1CCC(N2CCCCC2)CC1 351855837 QLBRYJLCMKUWBP-UHFFFAOYSA-N 236.403 2.903 30 20 BFED C[C@H]1CCC[C@H](CNC(=O)CC(C)(C)C#N)C1 352040962 UGMZOFJDCVSKRB-RYUDHWBXSA-N 236.359 2.869 30 20 BFED C=CC[C@H](CC)NC(=O)NCCC=C(C)C 353195156 VCIGVDYXNSJORB-LBPRGKRZSA-N 224.348 2.997 30 20 BFED 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C#C[C@H](C)N[C@@H](C)CCc1ccccc1[N+](=O)[O-] 289641956 XPWIPNASYLNPEJ-RYUDHWBXSA-N 246.310 2.527 30 20 BFED CCC[C@@H](C)C(=O)Nc1[nH]nc(C2CC2)c1C#N 290410318 JCFQYWUPAXQGNR-MRVPVSSYSA-N 246.314 2.533 30 20 BFED Cc1cc2cn[nH]c2cc1NC(=O)CCCC#N 290914163 ALZQNVZOZTYUNF-UHFFFAOYSA-N 242.282 2.504 30 20 BFED C=CCN(C(=O)CCCC#N)c1ccccc1 291907053 RPTMJRYEFYWLDP-UHFFFAOYSA-N 228.295 2.899 30 20 BFED C=CCCN(C)C(=O)c1ccc(C2CC2)nc1C 295275939 ZWCABSHTSSEJRF-UHFFFAOYSA-N 244.338 2.916 30 20 BFED CCCCCCCCn1cncc(F)c1=O 296119310 YIOBLGRUFBKLDN-UHFFFAOYSA-N 226.295 2.743 30 20 BFED C=C(Cl)C[S@](=O)Cc1ccccc1OC 299455839 UZERMESQLBEEFT-HNNXBMFYSA-N 244.743 2.696 30 20 BFED C=C[C@H](C)NC(=O)c1ccc(Cl)s1 306509563 BWAXUYXQPLYLEO-LURJTMIESA-N 215.705 2.706 30 20 BFED CC1(CNc2snc(Cl)c2C#N)CC1 306532553 GSQCYBPJPGYAOP-UHFFFAOYSA-N 227.720 2.880 30 20 BFED N#CCCCNc1ncc(Cl)cc1F 307353748 CXDXPLDXUAABAC-UHFFFAOYSA-N 213.643 2.590 30 20 BFED C=CCCCSCCOCC(F)F 308157208 BNLXWEURRFIMBQ-UHFFFAOYSA-N 210.289 2.968 30 20 BFED CCc1nc(C#N)cc(N(CC)C2CCCC2)n1 308169502 OJCOXOZKIXCTFP-UHFFFAOYSA-N 244.342 2.680 30 20 BFED Cc1cc(N2CCC3(CCC3)C2)cc(C#N)n1 308271763 NOOYBMOHYLFGMW-UHFFFAOYSA-N 227.311 2.642 30 20 BFED Cc1nc(C#N)cc(N[C@@H]2CCC(C)(C)C2)n1 308438119 XRRRKTXECUADDR-SNVBAGLBSA-N 230.315 2.647 30 20 BFED C#CCOc1ccc(F)cc1NCC(=C)C 309717606 ZKBGJXXEFRVGIC-UHFFFAOYSA-N 219.259 2.826 30 20 BFED CC[C@@](C)(C#N)C(=O)N[C@H](C1CCC1)C1CC1 325346983 LUSSVHUJXQIZPY-OCCSQVGLSA-N 234.343 2.621 30 20 BFED C[C@@H]1OCC[C@H]1C(O)=Nc1cc(C2CC2)ccn1 329503601 ASTIEUPOTZSYFS-JOYOIKCWSA-N 246.310 2.972 30 20 BFED CC1(C)C[C@@H]1/N=C(/O)[C@H]1CCC(=O)c2cccn21 329866870 VGRKYMHXUBABOX-PWSUYJOCSA-N 246.310 2.761 30 20 BFED N#CCCCNC(=O)[C@H]1C[C@@H]1C1CCCCC1 331484068 NTNHHKYGODDFBV-OLZOCXBDSA-N 234.343 2.623 30 20 BFED C[C@@H]1C[C@@H]1CC(=O)Nc1ccc(F)cc1C#N 334594478 XYGUMAGJBWLFJD-RKDXNWHRSA-N 232.258 2.682 30 20 BFED Cc1cc(CN[C@@H]2CC[C@@H](F)C2)ccc1C#N 335123633 YVPBPNFCXRUWDO-ZIAGYGMSSA-N 232.302 2.847 30 20 BFED C[C@H]1CN(C(=O)CCCC#N)c2ccccc21 335163906 ONOOOGGTUCWTPZ-NSHDSACASA-N 228.295 2.831 30 20 BFED Cc1nnc(CSc2ccc(C#N)c(C)c2)o1 335469188 HGOYYEWUSHUPIS-UHFFFAOYSA-N 245.307 2.850 30 20 BFED Cc1cc(C(=O)N(C2CC2)C2(C#N)CCC2)co1 335805404 GMTHHFVTILSUAN-UHFFFAOYSA-N 244.294 2.639 30 20 BFED N#Cc1c(F)cccc1CN1CCC[C@@H]1CF 336119876 VCQYQXVJXIJFHS-LLVKDONJSA-N 236.265 2.631 30 20 BFED Cc1ncsc1NC(=O)c1cccc(C#N)c1 336289195 PBNVKRHTOIMZQF-UHFFFAOYSA-N 243.291 2.576 30 20 BFED C[C@H]1C[C@@H](C)N(c2ccc(Cl)c(C#N)n2)C1 336421039 PBJTUPUCWJTSKV-DTWKUNHWSA-N 235.718 2.841 30 20 BFED C[C@@H](Sc1cnn[nH]1)c1cccc(C#N)c1 336561637 KQCPHDMISQNBPD-MRVPVSSYSA-N 230.296 2.530 30 20 BFED Cc1c(C#N)cccc1NC[C@@H]1C[C@@H]1C 336756712 JPNQMRPJTRCUBW-CABZTGNLSA-N 200.285 2.935 30 20 BFED CO[C@@H](CNCC(C)(C)CCC#N)C(C)C 336774967 XQNFSEKBYUCYNN-LBPRGKRZSA-N 226.364 2.577 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CC2CCC1CC2 336795258 IYUZJNKSGPFCHA-GFJIZPEISA-N 248.370 2.821 30 20 BFED C=CCC(C)(C)CN[C@H]1CN(C2CC2)C[C@H]1C 340429687 MDZCVHYMLIVXKI-OCCSQVGLSA-N 236.403 2.661 30 20 BFED C=CCC(C)(C)CN[C@@H](C)c1ncc[nH]1 340430171 PPPIPCQSLPDVOO-JTQLQIEISA-N 207.321 2.663 30 20 BFED C=CCC[C@H](CC)N[C@@H](CC)C(C)(C)O 340500929 SIMOXPMOTRLBII-RYUDHWBXSA-N 213.365 2.870 30 20 BFED C=CCC(C)(C)c1noc(COC(C)C)n1 340764110 ABBZHOOZIPRVEM-UHFFFAOYSA-N 224.304 2.848 30 20 BFED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CC 342480070 GXOIYBURKRIGBE-UHFFFAOYSA-N 249.358 2.779 30 20 BFED C=C[C@H](C)NC(=O)c1cc(Cl)cc(OC)c1 342825816 MFTVCYPTZBPQIO-QMMMGPOBSA-N 239.702 2.653 30 20 BFED CCS[C@H]1CC[C@@H](N(C)CC2(C#N)CC2)C1 343313425 HWGZPBYWRWNMIW-NEPJUHHUSA-N 238.400 2.896 30 20 BFED C=C[C@@](C)(CC)C(=O)N(CCCC)CCOC 344098070 JQEKZOGQCMBPEG-AWEZNQCLSA-N 241.375 2.864 30 20 BFED CC(C)[C@@H](C#N)NC(=O)[C@@H](C)c1ccsc1 347272041 CWTDCTGROCLIKW-GXSJLCMTSA-N 236.340 2.516 30 20 BFED C=CCOCCCN(CC(F)(F)F)C1CC1 348038225 RXDZSZRMXCEWSZ-UHFFFAOYSA-N 237.265 2.606 30 20 BFED C=C(C)CCN1CC[C@H](CN2CCCCC2)C1 352044448 HQKDYKDBTKWANP-OAHLLOKOSA-N 236.403 2.760 30 20 BFED C[C@@H]1CSC[C@@H]1NCC#Cc1ccc(F)cc1 352812890 AKXLPIWERBBEOX-RISCZKNCSA-N 249.354 2.518 30 20 BFED C=CCC[C@@H](O)CNC(C)(C)c1ccc(C)nc1 353582260 PZFFEEICVAOYSQ-CQSZACIVSA-N 248.370 2.542 30 20 BFED C=CCCCN(C)[C@@H]1CCN(CC)[C@@H](C)C1 354226541 WOCMQRKKJRHYHP-UONOGXRCSA-N 224.392 2.757 30 20 BFED C=CCCc1nc(Cc2ccc(F)cc2)no1 355992880 FWGZXCAXISZMGE-UHFFFAOYSA-N 232.258 2.918 30 20 BFED Cc1ccc(Cn2cc(C#N)c(C)n2)cc1C 359398303 XIXYHGDHVLKXTB-UHFFFAOYSA-N 225.295 2.728 30 20 BFED C=CCOCCN[C@@H]1CCCCC[C@@H]1C 378793651 OPWADDDVSMGWEE-QWHCGFSZSA-N 211.349 2.747 30 20 BFED C#CCCCN1CC(C)(C)[C@H]2CCC[C@H]21 378810431 ZXLIDJIWVDXMCZ-QWHCGFSZSA-N 205.345 2.910 30 20 BFED C=CCC[C@H](C)NCc1cccc(F)n1 380141588 VTEYGRPRYNDEAT-JTQLQIEISA-N 208.280 2.665 30 20 BFED Brc1ccc(C=NOCC2CC2)o1 382008902 CGTSBTHHMGZXCV-UHFFFAOYSA-N 244.088 2.803 30 20 BFED N#C[C@@H]1CCCN(C(=O)[C@@H]2CC3CCC2CC3)C1 386610624 KEKCUKJIPZNVEV-GNRIBBGQSA-N 246.354 2.575 30 20 BFED CCC(C[C@H](C)CC)=NN[C@@H](CC)C(=O)O 390285095 WNTARQQBIPDVIU-KOLCDFICSA-N 228.336 2.641 30 20 BFED C=CC[C@H](CC)NC[C@@H](O)c1ccc(C#N)cc1 393868786 UVWHQMMRZJALLO-LSDHHAIUSA-N 244.338 2.536 30 20 BFED COC[C@H](NCc1ccc(CC#N)cc1)C(C)C 399255764 NCUAJVKHGOSIPL-HNNXBMFYSA-N 246.354 2.513 30 20 BFED C[C@@H](NC(=O)CC(C)(C)C#N)[C@@H]1C[C@H]2CC[C@H]1C2 408130072 AQVWPYSOGZULNN-VOAKCMCISA-N 248.370 2.867 30 20 BFED C[C@@H](CCC#N)N1CCC(F)(F)[C@H](C)C1 411751963 OCCYXKMKZRJLQJ-ZJUUUORDSA-N 216.275 2.656 30 20 BFED C=CCCC(=O)N1CCSC[C@@H]1C1CCC1 416116863 SPDHOKHHDWVMQA-GFCCVEGCSA-N 239.384 2.697 30 20 BFED C=CCC1(CN[C@H](CC)C(=O)OC)CCCC1 419261760 UNCGZJPVIAOPIG-GFCCVEGCSA-N 239.359 2.664 30 20 BFED Cc1ccc(CNc2c(C#N)cccc2C#N)cn1 436305376 GHGSJGGIPLVYNE-UHFFFAOYSA-N 248.289 2.745 30 20 BFED C=CCNC(=O)[C@@H]1CCC[C@H]1c1ccccc1 448560991 CYRUTXVRXKNZQB-UONOGXRCSA-N 229.323 2.873 30 20 BFED CC(C)OCCCNC1CCC(C)(C#N)CC1 449062896 KVCYHWRDMDMOEB-UHFFFAOYSA-N 238.375 2.864 30 20 BFED C=CC(C)(C)CNC(=O)c1cc2c([nH]1)CCCC2 452780388 FGROAYLFTNKLRW-UHFFFAOYSA-N 246.354 2.836 30 20 BFED C[C@H](NC(=O)[C@]1(C#N)C[C@H]1C)[C@H]1CCC[C@@H](C)C1 456990873 WGOIHTXSBDUJCF-BIGJJFBESA-N 248.370 2.867 30 20 BFED C=CCCCN(Cc1cnn(C)c1)CC(C)C 459599329 YEKMGANCXXCPLY-UHFFFAOYSA-N 235.375 2.844 30 20 BFED C#CCN(CC)C(=O)c1cc2cc(F)ccc2o1 490652509 YPVBDKTVKISXOS-UHFFFAOYSA-N 245.253 2.667 30 20 BFED C#C[C@H](C)N(C)C(=O)c1cc(C(C)C)oc1C 491095016 JALDWDLNEJFVBM-JTQLQIEISA-N 233.311 2.805 30 20 BFED C=C(C)CCSc1nnc(NC(C)=O)s1 505502521 YKUSQOOXGQAWPW-UHFFFAOYSA-N 243.357 2.555 30 20 BFED C=CCCCCN1CCO[C@H]2CCC[C@@H]21 518689606 BCPZBPXYEONJIG-STQMWFEESA-N 209.333 2.596 30 20 BFED C=CCC1(C(=O)Nc2cc(C)ncn2)CCCC1 519628848 BRNVBNHQQCRXSF-UHFFFAOYSA-N 245.326 2.860 30 20 BFED C[C@H]1CC(NC[C@H](C#N)CCC#N)C[C@H](C)C1 519701989 WWDNLUPCHAOOSU-UPJWGTAASA-N 233.359 2.844 30 20 BFED C=CC[C@H](CC)NC(=O)c1cocc1C 529253182 HYKGGDALPCVYMC-JTQLQIEISA-N 207.273 2.673 30 20 BFED C[C@@H]1CCCC[C@H]1CC(=O)NCCCC#N 542231503 XBQXKXWTGDTRDE-NEPJUHHUSA-N 222.332 2.623 30 20 BFED Cc1ccc2c(C)cc(=NC[C@@H](C)C#N)[nH]c2c1 545891341 FJXQWGOHBCVCRG-NSHDSACASA-N 239.322 2.845 30 20 BFED Cc1cn(CC2CC(F)(F)C2)cc1C#N 561228045 SBJBNSKYMYPMFJ-UHFFFAOYSA-N 210.227 2.714 30 20 BFED CC[C@H]1CCCN(C(=O)NCC2(C#N)CC2)CC1 570625189 ZGLGFVYWWQXPHS-LBPRGKRZSA-N 249.358 2.512 30 20 BFED N#Cc1c(F)cccc1SCCCCO 578906103 KNBSWJMXZISHCY-UHFFFAOYSA-N 225.288 2.562 30 20 BFED C=CCCCS(=O)(=O)NCCCC(C)(C)C 584208174 ZYGWGEZDNIKPLR-UHFFFAOYSA-N 247.404 2.698 30 20 BFED C[C@@H]1CC[C@H](CSc2cccnc2C#N)O1 584420159 ARNBAANCRDVFCQ-NXEZZACHSA-N 234.324 2.613 30 20 BFED C=CCCCCCN1C[C@@H](C)[C@@](C)(C(=O)O)C1 584475581 PLVYKQFPYHLUMS-OCCSQVGLSA-N 239.359 2.775 30 20 BFED CC[C@H](CC(C)C)C(=O)N1CC[C@](F)(C#N)C1 590743724 ZPKXMOMSQFDONI-YPMHNXCESA-N 240.322 2.523 30 20 BFED C=CCC(C)(C)C(=O)N[C@H](C#N)CC(C)C 590987916 UVOQZDCDWADRPH-NSHDSACASA-N 222.332 2.643 30 20 BFED C=C(C)CNC(=O)N[C@@H]1CCCC[C@H]1SC 593439010 UCGREJJJMHFXFG-GHMZBOCLSA-N 242.388 2.536 30 20 BFED CC[C@@H](C#N)C(=O)N1CCC[C@](C)(CC)C1 593493693 ULGINGKBMNNMEK-AAEUAGOBSA-N 222.332 2.575 30 20 BFED CC[C@@H](C#N)N(C)C(=O)C[C@@H](CC)C(C)C 594094975 RTQKICKIAROBGV-NEPJUHHUSA-N 224.348 2.819 30 20 BFED CCN(CCC#N)C(=O)c1c(C)cc(F)cc1C 596891601 WSUUAVKIOINHKY-UHFFFAOYSA-N 248.301 2.818 30 20 BFED CCN(C(=O)[C@@H](C)Cc1ccccc1)[C@H](C)C#N 598362244 BECJUFLRGRSPOH-QWHCGFSZSA-N 244.338 2.626 30 20 BFED CCCC(C#N)(CCC)NC(=O)c1conc1C 602279237 HMSXJQCFGAUIPH-UHFFFAOYSA-N 249.314 2.575 30 20 BFED CC(C)CCOCCNC[C@H](C)CCC#N 602526017 VDGAFCZRWOEAFJ-CYBMUJFWSA-N 226.364 2.579 30 20 BFED CCCN(CCC#N)Cc1ccccc1F 604493317 JQYOCMMSUHIUKK-UHFFFAOYSA-N 220.291 2.951 30 20 BFED CC#CCN(CCC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 607735576 NUNDFPFHYUWFSM-MCIONIFRSA-N 235.371 2.535 30 20 BFED C[C@@]1(C#N)CCCN(Cc2ccccc2C#N)C1 612165085 KHRVDQXLOWJGFT-HNNXBMFYSA-N 239.322 2.684 30 20 BFED C=CCN(C(=O)CCC1CCC1)[C@H](C)COC 617579382 BZQYAZPRJASMIX-GFCCVEGCSA-N 239.359 2.616 30 20 BFED N#CC1(CN=c2ccc3ccc(F)cc3[nH]2)CC1 619528142 UWTBMNOQOVPGGD-UHFFFAOYSA-N 241.269 2.511 30 20 BFED C=C[C@](C)(O)CC(=O)Nc1cscc1Cl 636437967 JWIZVSHHYZDVCW-JTQLQIEISA-N 245.731 2.667 30 20 BFED C=CC[C@H](CC)NC[C@@H](CC(C)C)OC 639132076 DOMAWZKMYIPKFF-QWHCGFSZSA-N 213.365 2.992 30 20 BFED C=CCCNCc1cc(OC)c(O)cc1Cl 639307384 WVRZIJRXXYHMSU-UHFFFAOYSA-N 241.718 2.720 30 20 BFED C=CCCOCCNC1CCC(F)(F)CC1 647196607 GXQXWZBCKKAHSL-UHFFFAOYSA-N 233.302 2.747 30 20 BFED C=CCC1(NCc2ccoc2C)CCOCC1 657634669 NQQYAAKQTCHWSI-UHFFFAOYSA-N 235.327 2.803 30 20 BFED C=CCN(CCC=C(C)C)[C@@H](C)COC 661241054 WBFFKWPHFUUTQG-ZDUSSCGKSA-N 211.349 2.866 30 20 BFED C=CCCNC(=O)N1C[C@H](C(C)C)[C@H]1C(C)C 665940741 KVOJTZKFWSQKMA-CHWSQXEVSA-N 238.375 2.885 30 20 BFED C=CCCNC(=O)N1CCC[C@@H]1c1ccccn1 665947366 JNIOUYSUFCSMIK-CYBMUJFWSA-N 245.326 2.504 30 20 BFED C=CCCCC[C@@H](C)NC1([C@@H](C)O)CC1 668702251 ZITXBAIBHBDHPK-VXGBXAGGSA-N 211.349 2.624 30 20 BFED C=C(C)[C@H](CC(=O)NC[C@@H](C)C1CC1)OCC 677302146 JPVATNOLJJMLOY-YPMHNXCESA-N 239.359 2.520 30 20 BFED Cc1nc(NC[C@@H]2C=CCC2)ccc1C#N 711662520 MLOFLJAJTAJUEI-LLVKDONJSA-N 213.284 2.640 30 20 BFED C=CCOC(=O)c1sc(CC(C)C)nc1C 727916799 MNTSBVGHCDGSKU-UHFFFAOYSA-N 239.340 2.993 30 20 BFED C=CCCNc1cc(C(=O)O)ccc1F 736102490 KZUISXFASNHICU-UHFFFAOYSA-N 209.220 2.512 30 20 BFED CCC(=NNc1ccccc1C(=O)O)C1CC1 741162715 BXWZURYKXFUMDJ-UHFFFAOYSA-N 232.283 2.973 30 20 BFED CCON=C(C)c1nc2ccccc2n1CC 741458869 PUZPAARIXQGAII-UHFFFAOYSA-N 231.299 2.817 30 20 BFED C=CCN(CC=C)C(=O)[C@H](C)c1ccc(C)o1 742466323 WXHLKUSQJKFACC-GFCCVEGCSA-N 233.311 2.892 30 20 BFED C#CCCCNC(=O)c1cc2cccc(C)c2o1 742786153 JMLRGHUDUBKSFH-UHFFFAOYSA-N 241.290 2.884 30 20 BFED C#CCCCNC(=S)N[C@H](C)c1ccccc1 743010545 GNCGAWCATXSUFW-GFCCVEGCSA-N 246.379 2.625 30 20 BFED C#CCN(CCc1ccccc1)C(C)C 746135744 UDRCPIXYZGSZBU-UHFFFAOYSA-N 201.313 2.573 30 20 BFED CCC[C@@H](C)C(CC)=NOCCOC 748792047 VHSCDMLKIUBXJT-SNVBAGLBSA-N 201.310 2.852 30 20 BFED C#C[C@H](CC)NC(=O)C[C@@H]1CCc2ccccc21 754378875 AEIQOYYIQMTIAZ-UONOGXRCSA-N 241.334 2.635 30 20 BFED CC1(C)CC(=NO[C@H]2CCCCO2)C(C)(C)O1 755814498 MIMQVNYEEWQTIZ-NSHDSACASA-N 241.331 2.863 30 20 BFED CC(=NO[C@@H]1CCCCO1)c1cccc(O)c1 755818233 AVGLXTYTEWPHOM-CYBMUJFWSA-N 235.283 2.659 30 20 BFED COc1ccsc1C=NO[C@@H]1CCCCO1 755818451 RKTNWFRXCMEQEA-LLVKDONJSA-N 241.312 2.634 30 20 BFED CCCCC[C@@H](C(=O)OCC#N)C(C)C 756668682 DYIUVPOCLMYPJL-LLVKDONJSA-N 211.305 2.906 30 20 BFED C#CCCN(CC(F)(F)F)C(=O)CC1(C)CC1 759173610 KVSXZIKMMLTDPH-UHFFFAOYSA-N 247.260 2.591 30 20 BFED CC#CCCOC(=O)c1ccc2cc[nH]c2c1 760295196 KIDBPSQOYBOEQG-UHFFFAOYSA-N 227.263 2.738 30 20 BFED C#CCCN(C)[C@@H]1C[C@H](OCCCC)C1(C)C 760860187 LSQHENHLMDCLKW-KGLIPLIRSA-N 237.387 2.925 30 20 BFED Cc1ccc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)cn1 764907251 FVDJZFAAYDKMGA-FPMFFAJLSA-N 229.327 2.502 30 20 BFED C(C[C@@H]1CCOC1)=NNCCCc1ccccc1 765575753 JBDBCQBGFBLBRL-OAHLLOKOSA-N 246.354 2.621 30 20 BFED C#CCCCN1CCO[C@H](c2cccc(F)c2)C1 766896622 VLXUMFAHACLUDG-HNNXBMFYSA-N 247.313 2.612 30 20 BFED C#CCC(C)(C)C(=O)OCc1ccccc1OC 767045372 AMILONVMDGWOGB-UHFFFAOYSA-N 246.306 2.788 30 20 BFED Fc1cccc(C=NOCc2ccccn2)c1 767533263 BWCLDARHXJDMBV-UHFFFAOYSA-N 230.242 2.771 30 20 BFED CCCC1(C(=O)OCC2(C#N)CCC2)CC1 768111132 ZUMOWIJQCIESFI-UHFFFAOYSA-N 221.300 2.804 30 20 BFED CC(=NNCc1ccc(C#N)cc1)C1CCC1 769821221 URQWIJHTDKMOPO-UHFFFAOYSA-N 227.311 2.824 30 20 BFED C=C(C)CON=Cc1ccc([N+](=O)[O-])cc1 771655202 WUBNGMSKOOZVBN-UHFFFAOYSA-N 220.228 2.521 30 20 BFED C=CCN(C[C@@H](O)c1cccc(F)c1)C1CC1 772382552 SLOPVZCSTXVBPI-CQSZACIVSA-N 235.302 2.510 30 20 BFED CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)CC#N 772393054 FNPSZYNJOHRQBM-NEPJUHHUSA-N 236.359 2.869 30 20 BFED C#C[C@@H](C)NC(=O)CCCCCC(C)C 772962647 OZNPMEYYJHCGAM-GFCCVEGCSA-N 209.333 2.731 30 20 BFED C=CCCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773005700 CNRWXKKRZGPDRF-LBPRGKRZSA-N 246.354 2.896 30 20 BFED C#C[C@H](N[C@H](C)c1cccc(F)c1)[C@@H]1CCCO1 775572201 PERSRVJQWJBSHP-UGFHNGPFSA-N 247.313 2.657 30 20 BFED CC(C)(C#N)CCOC(=O)Cc1ccc(F)cc1 776361087 KRQRTPWJHOQLOZ-UHFFFAOYSA-N 249.285 2.851 30 20 BFED N#Cc1ccccc1COC(=O)C1[C@@H]2CCC[C@@H]12 776690318 FNYJXVKBPLQXRW-CHWSQXEVSA-N 241.290 2.648 30 20 BFED COc1cccc(NN=Cc2ccc(F)nc2)c1 777429084 BSFLFYDOBBTEGY-UHFFFAOYSA-N 245.257 2.675 30 20 BFED COC[C@@H](C)NN=C(C)c1cc(C)c(C)cc1C 777893859 WDRQUZHFTCLLCG-CYBMUJFWSA-N 248.370 2.960 30 20 BFED C=C(C)CN(C)C(=O)[C@@H](C)c1ccc(C)o1 778123628 WRNQNHNHPLTRTP-NSHDSACASA-N 221.300 2.726 30 20 BFED Cc1cc(C)c(C=NN=c2cc[nH]cc2)c(C)c1 779808049 BUSLZGZDWJDDTK-UHFFFAOYSA-N 239.322 2.875 30 20 BFED O=C(NO)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 782169051 BZLVBGWKCIAGLJ-IUCAKERBSA-N 246.093 2.602 30 20 BFED C=C(C)CCOC(=O)[C@H]1CCCCS1 783394624 WBSIYBIVZFHTPS-SNVBAGLBSA-N 214.330 2.782 30 20 BFED COc1cccc(O)c1C=NNC1CCCCC1 786041897 FMFFIWNFWFTMBW-UHFFFAOYSA-N 248.326 2.657 30 20 BFED Cc1cc(C)c(C=NOC[C@H]2CCOC2)c(C)c1 788032982 DMLFDZAJDCVAHH-AWEZNQCLSA-N 247.338 2.999 30 20 BFED CC[C@@H]1CC(=NNc2ncccc2C)CCO1 790193742 LCHCFDUDYYVSJB-GFCCVEGCSA-N 233.315 2.747 30 20 BFED C=CCN(C(=O)NCCC1(C)CC1)C(C)C 792195521 HGPLCUZVEBXJOU-UHFFFAOYSA-N 224.348 2.783 30 20 BFED CCCCOC(=O)c1ccc(F)c(C#N)c1 792321880 UEIRGHITOFOEHW-UHFFFAOYSA-N 221.231 2.654 30 20 BFED CC[C@@H](C)CON=C(C)[C@]1(C)CCCO1 793157484 BJNPQRAAFJKBLF-PWSUYJOCSA-N 213.321 2.994 30 20 BFED CC[C@@H](C)CON=Cc1cccc(O)c1 793163282 IEMKQWUXEDZOQL-SNVBAGLBSA-N 207.273 2.789 30 20 BFED CCCC(CC)=NNc1ncncc1F 793210814 DVLGKMJJCDROKA-UHFFFAOYSA-N 210.256 2.594 30 20 BFED CSCCON=Cc1ccc(C)c(F)c1 794572219 LZCWNUDYCKCFTD-UHFFFAOYSA-N 227.304 2.848 30 20 BFED Fc1ccc2c(c1)OCCC2=NNC1CCCC1 794902863 WUKWJHZNFRNNNP-UHFFFAOYSA-N 248.301 2.845 30 20 BFED C[C@H]1CSCC1=NN[C@@H]1CCCC1(C)C 794936845 SZSRMLJOZCEIAT-GXSJLCMTSA-N 226.389 2.894 30 20 BFED C=CCNN=Cc1cc(Cl)cc2cccnc12 794994317 QHOCNVZMDKSKRL-UHFFFAOYSA-N 245.713 2.998 30 20 BFED C#C[C@@H](NC(=O)N1C2CCCC1CCC2)C(C)C 798552339 IMIAUTKSUFUVCF-JXQTWKCFSA-N 248.370 2.761 30 20 BFED N#C[C@H]1CC[C@@H](Nc2ccc3c(c2)OCCO3)C1 799724598 ONSPHADBEFJBOH-WDEREUQCSA-N 244.294 2.562 30 20 BFED C#CCOc1ccc(CN[C@@H]2CCC2(C)C)cc1 808421650 OXDZVPCWTVSHST-OAHLLOKOSA-N 243.350 2.977 30 20 BFED CC[C@H](O)CNN=C1C[C@H](C)CC[C@@H]1C(C)C 811653322 ITGKNHVIQXQNMH-FRRDWIJNSA-N 240.391 2.795 30 20 BFED Cc1ccsc1C=NNC[C@@H]1CCSC1 811662300 HUQSPQZMXHGMHS-JTQLQIEISA-N 240.397 2.733 30 20 BFED COc1ccc2c(c1)C(=NOC1CCC1)CCO2 812236024 ULXDTLHTPYEJBT-UHFFFAOYSA-N 247.294 2.751 30 20 BFED C[C@@H]1C(=NOC2CCCC2)CC[C@H]1CC(=O)O 814894967 SBJLNBCMBCXUAP-UWVGGRQHSA-N 239.315 2.822 30 20 BFED COCCCNN=C1CC[C@@H](c2ccccc2)C1 814920263 HKTYXCLNOBFTRL-CQSZACIVSA-N 246.354 2.936 30 20 BFED C[C@H](O)CNN=C1CCC[C@H](C(C)(C)C)CC1 814966074 HNSFXDOOWIOYAH-RYUDHWBXSA-N 240.391 2.939 30 20 BFED C=CCC(C)(C)C(=O)N(OC)C1CCCC1 816099145 LEZLLDMFVNMJIJ-UHFFFAOYSA-N 225.332 2.921 30 20 BFED C/C=C(\CC)C(=O)N1CCc2c(C#N)cccc21 817471823 ZMUFERIXJOCDFL-QDEBKDIKSA-N 240.306 2.804 30 20 BFED Cc1ccc(C(=O)NC2(C(C)C)CC2)cc1C#N 818354681 FIUUBBMRVUAWJP-UHFFFAOYSA-N 242.322 2.785 30 20 BFED C#CCCCC(=O)NC[C@@H]1CCCC1(C)C 819175213 RXNALIJWZWKVRM-LBPRGKRZSA-N 221.344 2.732 30 20 BFED C[C@H](CC#N)N(C)CC[C@H]1CC1(Cl)Cl 822685548 CZGVNSKWVOGOLC-BDAKNGLRSA-N 235.158 2.804 30 20 BFED C#CCCCNCc1cc2cc(Cl)cnc2o1 823949733 RXQMFFLDQWXTSP-UHFFFAOYSA-N 248.713 2.984 30 20 BFED N#Cc1ccc(CN[C@H]2CCCC23CCC3)nc1 824232000 UXGCRCQGPWQSGH-AWEZNQCLSA-N 241.338 2.766 30 20 BFED Cc1cc(O)nc(NN=C2C[C@@H](C)CC[C@H]2C)n1 834913354 YALDXFXUMXMHGP-DTWKUNHWSA-N 248.330 2.715 30 20 BFED C1CC[C@@H](ON=C2CCOC3(CCC3)C2)OC1 834966181 DPRDKUSGQDNGJQ-GFCCVEGCSA-N 239.315 2.619 30 20 BFED CC(=NOC(C)C)c1ccc2c(c1)OCO2 835004054 KTRSLSIKXGKFIC-UHFFFAOYSA-N 221.256 2.564 30 20 BFED C=C(C)CCNC(=O)Nc1ccc(N(C)C)cc1 836186464 MZWBKPXNLUSLEH-UHFFFAOYSA-N 247.342 2.840 30 20 BFED C#C[C@H](CC)NC(=O)N[C@H](CC)C1CCCC1 836424941 QQSGRQHHSXYAHD-CHWSQXEVSA-N 236.359 2.666 30 20 BFED Cc1ccc(C(=O)N[C@@H]2C[C@H]2C(C)C)cc1C#N 838079188 XAOKDCRLERCYKR-UONOGXRCSA-N 242.322 2.641 30 20 BFED C#Cc1ccc(CNCC(C)(C)CC#N)cc1 839164079 YCQMQKWQUBUSQO-UHFFFAOYSA-N 226.323 2.697 30 20 BFED C=CCCCC(=O)O[C@@H]1CCC(C)(C)C1=O 840251453 NBRDSZBKBCFEIO-SNVBAGLBSA-N 224.300 2.644 30 20 BFED CC#CC(=O)Nc1ccc(C)cc1SC 840500547 FEOXTJPHDRIGKF-UHFFFAOYSA-N 219.309 2.679 30 20 BFED CC[C@H]1CC[C@@H](C)CC1=NN(C)C(=S)NC 841645564 AZSYBJCBHOCMIJ-ZJUUUORDSA-N 241.404 2.625 30 20 BFED CC[C@H](CC#N)NC[C@]1(C)CC1(Cl)Cl 846980312 HJSMWOHTVOXKSC-BDAKNGLRSA-N 235.158 2.852 30 20 BFED C#C[C@H](C)NCc1ccccc1C(C)C 848910558 MHIOQXVKUPEPAQ-LBPRGKRZSA-N 201.313 2.921 30 20 BFED C#C[C@@](C)(CC)NCCCOC(C)(C)C 852100957 BTEZTKGWBAEYRV-ZDUSSCGKSA-N 211.349 2.583 30 20 BFED CO[C@H](C=NNc1ccccn1)C1CCCC1 853269272 SKYAGSUPGJFFKQ-GFCCVEGCSA-N 233.315 2.685 30 20 BFED CC(=NN1CCCC[C@@H]1C)c1cccc(CO)c1 853382280 WTKBBHHUQWKDNN-LBPRGKRZSA-N 246.354 2.777 30 20 BFED C=C(Cl)Cn1nc(C2CC2)nc1C1CC1 853679234 YAZHTYHAOOUESD-UHFFFAOYSA-N 223.707 2.785 30 20 BFED Fc1ccccc1CCON=CC1CC1 853734317 AFOXAOQNRFAFKZ-UHFFFAOYSA-N 207.248 2.781 30 20 BFED C#C[C@@H](CC)NC(=O)N1CCC[C@@H](CC)CC1 854073099 QHYZFDKOGIDQQP-OLZOCXBDSA-N 236.359 2.620 30 20 BFED C=CCCONC(=O)CCc1cccc(C)c1 856029312 IMRPNKAJMGUIRI-UHFFFAOYSA-N 233.311 2.552 30 20 BFED C=C[C@H](CO)NC(=O)[C@H](CCCCC)C(C)C 856276190 WHGQIIVYRJCKBI-CHWSQXEVSA-N 241.375 2.502 30 20 BFED C=CCCCNC(=O)/C(=C/c1ccccc1)OC 857195805 BXTLUQWCHOMASZ-OWBHPGMISA-N 245.322 2.756 30 20 BFED C[C@@H](COC(=O)C(C)(C)C#N)C(C)(C)C 869355079 UVNUYVRJDKUQQF-VIFPVBQESA-N 211.305 2.762 30 20 BFED Cc1cccnc1NN=C1CC[C@@H]2C[C@H]12 872368935 VCENKILTUSTAON-ZJUUUORDSA-N 201.273 2.588 30 20 BFED C=CCC(C)(C)CNC(=O)N[C@@H]1CC12CCC2 873022253 LPGKBPKMJXWSIC-LLVKDONJSA-N 236.359 2.831 30 20 BFED C=C(Br)CNC(=O)[C@H](CC)CCC 874213687 AUFZKXUZKCZJCL-SECBINFHSA-N 248.164 2.838 30 20 BFED Cc1ccc(NCCSC(C)C)c(C#N)n1 882362975 STLFLBVQBLKAQL-UHFFFAOYSA-N 235.356 2.815 30 20 BFED C=CC(C)(C)CC(=O)O[C@@H](C)c1ccnn1C 890326863 PYBFIEMVUAJCEM-JTQLQIEISA-N 236.315 2.627 30 20 BFED C=C1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 895451470 KMFFSPKNBDZREX-GFCCVEGCSA-N 221.344 2.991 30 20 BFED C=C(C)CCc1noc(-c2cc(CC)on2)n1 896284264 CCGAEYSEYRYTDW-UHFFFAOYSA-N 233.271 2.796 30 20 BFED C#Cc1ccc(C(=O)NOC2CCCCC2)cc1 897454755 HAKWPACVRHIRME-UHFFFAOYSA-N 243.306 2.662 30 20 BFED C=CC[C@H](C)[C@@H](C)N[C@@H]1Cc2ccccc2[C@H]1N 902439945 VMGVUBKMSDGVDU-UAXWRAGISA-N 244.382 2.801 30 20 BFED C=CCS(=O)(=O)Cc1cccc(C(F)F)c1 906028044 RAJQNQBWUPNUOO-UHFFFAOYSA-N 246.278 2.725 30 20 BFED CC1(C#N)CN(C(=O)C2(C3CCCCC3)CC2)C1 907931627 UUUIDTIZPBZNBY-UHFFFAOYSA-N 246.354 2.719 30 20 BFED C=CCNC(=S)NN=C(CC)C[C@H](C)CC 915943256 WKVBYWRKZNUHIT-SNVBAGLBSA-N 241.404 2.839 30 20 BFED CCCNN=Cc1ccccc1OC(F)(F)F 915965820 PTMKEZJODAXCND-UHFFFAOYSA-N 246.232 2.919 30 20 BFED Cc1cc(NN=Cc2ccsc2)nc(C)n1 915970798 NGVYURAUVJEHFP-UHFFFAOYSA-N 232.312 2.601 30 20 BFED C#CCN(C)[C@H](C)c1ccc(C)cc1C 918023843 KLFMKDQEPRPBMQ-CYBMUJFWSA-N 201.313 2.929 30 20 BFED C#CC[C@H](OC(=O)c1cc(C)nc(C)c1)C1CC1 1122777833 MZLOKCXYMMODGN-AWEZNQCLSA-N 243.306 2.657 30 20 BFED C=CC[C@H](CC)NC(=O)c1ccc(Cl)[nH]1 1263817797 CXVJEOHOAKWSHT-QMMMGPOBSA-N 226.707 2.753 30 20 BFED CN(Cc1ccccc1)c1cccc(CC#N)n1 1319741955 SVFYRSPTQQNAAR-UHFFFAOYSA-N 237.306 2.784 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1nc(C)ncc1C 1331325276 LKLHMHLUHBWCRF-CYBMUJFWSA-N 233.315 2.634 30 20 BFED C#Cc1ccc(C(=O)NCC2(C3CC3)CC2)cc1 1331914222 CVXKYLUJTMQNHB-UHFFFAOYSA-N 239.318 2.588 30 20 BFED C[C@H](CC#N)N(C)C(=O)C1(C(F)F)CCCC1 1337807484 GKOFKCKYUOFROU-SECBINFHSA-N 244.285 2.572 30 20 BFED C[C@H]1CCCC(=NNc2ccn(C)n2)[C@@H]1C 1338902994 CDNBCAIFDQBMOV-VHSXEESVSA-N 220.320 2.644 30 20 BFED C=C[C@H](COC)NCc1ccccc1C1CC1 1342728790 OZCYEXHKIDOOSG-CQSZACIVSA-N 231.339 2.855 30 20 BFED Cc1cc(C#N)ccc1N1CCC[C@@H]2C[C@@H]21 1355313325 QNUBKMUBSKWNLA-OCCSQVGLSA-N 212.296 2.855 30 20 BFED C=C(C)CCC(=O)NCC(C1CC1)C1CC1 1516722763 ZJVSYYCWQDZTNG-UHFFFAOYSA-N 221.344 2.895 30 20 BFED CCC(C#N)(CC)C(=O)OC[C@@H](C)SC 1518403004 GMAJVWTUPYHWNZ-SECBINFHSA-N 229.345 2.611 30 20 BFED C=C(CC)C(=O)N[C@H](C)c1ccsc1 1521558569 CJYOJGFEKOFREM-SECBINFHSA-N 209.314 2.892 30 20 BFED C=CCCCC[C@H](C)N[C@@H]1C[C@H](N)C12CCC2 1574907304 IECQEALAFSYPNU-MELADBBJSA-N 236.403 2.981 30 20 BFED CC(C)CCN(CCC#N)Cc1ncccc1F 1663717486 NCEXQQLPHKXEAG-UHFFFAOYSA-N 249.333 2.982 30 20 BFED C=C(C)CCCN1CC[C@H](CCC(=O)O)C1 1776138816 USHQQIMEIHZTER-LBPRGKRZSA-N 225.332 2.529 30 20 BFED C=C1CC(CN(CC(=O)O)C2CCCCC2)C1 1776144092 IBBKPOCXRYRCHA-UHFFFAOYSA-N 237.343 2.672 30 20 BFED C/C(O)=N/c1nc(-c2ccccc2Cl)n[nH]1 5458455 NWKSYOLCSIFJCF-UHFFFAOYSA-N 236.662 2.733 30 20 BFED CC#CCCCC(=O)Nc1nc(C)cs1 6262183 FHCZAPALDSTUIY-UHFFFAOYSA-N 222.313 2.584 30 20 BFED C=CCN[C@@H](CC)c1ccc(OC)c(OC)c1 20084889 BGJJYCUZVWAKNY-LBPRGKRZSA-N 235.327 2.931 30 20 BFED C=C(C)CN(CC)C(=O)c1cc(Cl)ccn1 36804904 DYYZRYSDPWDXKE-UHFFFAOYSA-N 238.718 2.773 30 20 BFED C=CCC[C@H](C(=O)OC)c1ccccc1 38996935 UGBODZYETJQNLL-LBPRGKRZSA-N 204.269 2.909 30 20 BFED CCC[C@@H](C#N)NC(=O)c1cc(C)ccc1C 40352806 RSHSPTUWJVWTOC-LBPRGKRZSA-N 230.311 2.726 30 20 BFED C#CCNC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 41637155 CNOUCLZCPFDMET-GXTWGEPZSA-N 229.323 2.566 30 20 BFED C[C@H](CC(=O)N(C)[C@@H](C)C#N)CC(C)(C)C 45142879 ALTROVUORVKIPU-MNOVXSKESA-N 224.348 2.819 30 20 BFED CC[C@H](CC#N)NCc1cc(F)ccc1F 54183376 XLFDNTSVWJEXML-LLVKDONJSA-N 224.254 2.747 30 20 BFED CC1(Nc2ccnc(C#N)c2)CCCC1 61811934 JENFMUJGFPQFHT-UHFFFAOYSA-N 201.273 2.698 30 20 BFED CCc1ccc([C@H](C)C(=O)N[C@H](C#N)CC)cc1 68125169 DFTOSCXMEHQFRF-FZMZJTMJSA-N 244.338 2.771 30 20 BFED Cc1ccc(C(=O)NCCCCC#N)cc1C 70940529 DCFNRZRVVLMOAW-UHFFFAOYSA-N 230.311 2.727 30 20 BFED CC[C@H]1CCCN(c2cc(C#N)ccn2)CC1 79343455 KIIZPHJWPOPJIH-LBPRGKRZSA-N 229.327 2.970 30 20 BFED Cn1c(SCCCC#N)nc2ccccc21 79364786 HEGZSTPZSNQVMA-UHFFFAOYSA-N 231.324 2.969 30 20 BFED C=C(C)COC(=O)c1occc1Br 83686396 ZIYLWICOKXWTIW-UHFFFAOYSA-N 245.072 2.775 30 20 BFED CC(C)(C#N)CC[S@](=O)Cc1ccccc1 87611214 MFDZPTCGVQHGSU-MRXNPFEDSA-N 235.352 2.875 30 20 BFED C[C@@H]1CCCCN1c1ccc(C#N)c([N+](=O)[O-])c1 94592624 BHZDGWHONCARHV-SNVBAGLBSA-N 245.282 2.845 30 20 BFED CC[C@@H](CC#N)NC(=O)C1(CC)CCCC1 94901775 WAFQJUKILMRIMJ-NSHDSACASA-N 222.332 2.765 30 20 BFED CN(CC1CC1)c1c(F)cc(C#N)cc1F 111143464 OJAYVCNLQOFYIN-UHFFFAOYSA-N 222.238 2.683 30 20 BFED CCN(C[C@H](C)C#N)C(=O)c1c(C)oc(C)c1C 112009922 ZZFNRDPFUXQTAI-SECBINFHSA-N 248.326 2.827 30 20 BFED CCOC(=O)CS[C@H](C#N)C1CCCCC1 115184951 RCMCOJDPUQGHRN-LLVKDONJSA-N 241.356 2.755 30 20 BFED N#C[C@H](NC(=O)CCC1CC1)c1ccccc1F 115361163 FOZQZXOYRNYZFR-ZDUSSCGKSA-N 246.285 2.697 30 20 BFED CSC[C@H]1CCCN1CCC(C)(C)C#N 119747222 GVABEVYWMWWXJJ-LLVKDONJSA-N 226.389 2.754 30 20 BFED C=C[C@@H](C)NC(=O)c1ccc(F)c(SC)c1 119781914 CFCUYMFMBDVCCQ-MRVPVSSYSA-N 239.315 2.852 30 20 BFED CC[C@H]1CCC[C@@H]1/N=C/c1ccc(O)c(O)c1O 129370196 VEOBXXQMRKQKCR-XJVLGDCPSA-N 249.310 2.801 30 20 BFED C=C(Cl)CNC(=O)c1cc2ccccc2o1 134812925 AGITXHQTGGCDLI-UHFFFAOYSA-N 235.670 2.915 30 20 BFED C#CCOc1ccccc1CN[C@H]1CC[C@@H](C)C1 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2.755 30 20 BFED CC#CCCCC(=O)N1CCC[C@H](CC)C1 185061345 RLTUYUIFNQWPNY-ZDUSSCGKSA-N 221.344 2.829 30 20 BFED C#C[C@H](C)NC(=O)[C@@H](C)CCc1cccc(F)c1 185983867 QELKSETXUZHUJQ-RYUDHWBXSA-N 247.313 2.532 30 20 BFED C=C(C)CS(=O)(=O)N(CC)C1CCCCC1 188176900 AHQXYKOVZSKFNO-UHFFFAOYSA-N 245.388 2.547 30 20 BFED C=CCN(CC=C)C(=O)c1ccc(CC)cc1O 188441887 IITROEAVAQMZSI-UHFFFAOYSA-N 245.322 2.769 30 20 BFED C=CC1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 193427439 UPFPSMLZOFEQOC-UHFFFAOYSA-N 247.298 2.579 30 20 BFED C=C[C@H](O)COc1cccc(C(F)(F)F)c1 201336274 MFIFIIPOJAFVJN-VIFPVBQESA-N 232.201 2.631 30 20 BFED N#Cc1ccc(NC/C=C/Cl)c(F)c1 227064931 CWLQXOHTKIDNJZ-DAFODLJHSA-N 210.639 2.862 30 20 BFED N#Cc1ccc(-c2nc([C@H]3CCCO3)no2)s1 230998998 WRORQYNICSIIKH-MRVPVSSYSA-N 247.279 2.521 30 20 BFED CCN(Cc1ccc(C#N)c(OC)c1)C1CC1 233463166 IYKIDJVSBHBZCR-UHFFFAOYSA-N 230.311 2.551 30 20 BFED C#C[C@H](CC)Nc1ccc(C(F)(F)F)cn1 234041142 WAMOXBGDMTUTDD-SECBINFHSA-N 228.217 2.924 30 20 BFED C#CCCCN[C@H]1CCC[C@H](SC)C1 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30 20 BFED C=C(CC)COC(=O)/C=C/c1cnccc1C 786921574 FWOOZHJKAHRZAM-AATRIKPKSA-N 231.295 2.913 30 20 BFED COc1cccc(NN=C2CCC2(C)C)n1 789038403 WVQHLMVRKBVUHJ-UHFFFAOYSA-N 219.288 2.678 30 20 BFED CC[C@@H]1CCCC1=NNc1nc2ccccn2n1 790197876 SSNYZTWEIGUOHS-SNVBAGLBSA-N 243.314 2.707 30 20 BFED C#C[C@H](CCC)NC(=O)NCC1CC(C)(C)C1 791041619 UAQYALZOEHZBSQ-GFCCVEGCSA-N 236.359 2.524 30 20 BFED Cc1csc(C(=O)O[C@@H](C)C#N)c1Cl 791595110 KQMFDUDBYPLLJQ-LURJTMIESA-N 229.688 2.779 30 20 BFED CC[C@@H](NN=C[C@@H]1CCCC(C)(C)C1)C(=O)O 793054355 FJBMUCGITNPTHF-GHMZBOCLSA-N 240.347 2.641 30 20 BFED C[C@H]1CC(=NN[C@H](C)C(C)(C)C)CCO1 793115631 OFLKPUCIQMDJRL-VHSXEESVSA-N 212.337 2.566 30 20 BFED CC[C@H](C)CON=C(C)CCCOC 793158442 GLLJATIRHBYUMK-JTQLQIEISA-N 201.310 2.852 30 20 BFED FC(F)(F)CNN=Cc1ccc2occc2c1 794930101 CUZAYZBZCNFLGV-UHFFFAOYSA-N 242.200 2.919 30 20 BFED COCCN(C)N=C[C@@H]1CCCC(C)(C)C1 794964132 XVJFAURDAFBDEH-GFCCVEGCSA-N 226.364 2.767 30 20 BFED C=CCN(CC(=O)OCC)c1ccc(C)cc1 799197707 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C=CCC1(NC(=O)[C@@H](O)CCC)CCCCC1 821797739 YUIFOAXSSIYLFI-LBPRGKRZSA-N 239.359 2.543 30 20 BFED CC[C@@H]1CCCCN1C(=O)C#Cc1cccs1 823514392 ZIIQVBMDKPWOPN-GFCCVEGCSA-N 247.363 2.891 30 20 BFED C[C@H]1C[C@H](C)CN(C(=O)C#Cc2cccs2)C1 823529549 UFYFMFYZZKNAAI-RYUDHWBXSA-N 247.363 2.604 30 20 BFED N#C[C@]1(C(=O)NCCC2CCC2)CC12CCCC2 826817582 AQVQCEPBEYJIDY-HNNXBMFYSA-N 246.354 2.767 30 20 BFED C#CC1CCN(Cc2csc(CC)n2)CC1 830305505 OMBNYKNTLGMDLO-UHFFFAOYSA-N 234.368 2.551 30 20 BFED C#Cc1cccc(CN[C@H](C)[C@]2(C)CCCO2)c1 834902131 FNGZFFQTRQJICT-CJNGLKHVSA-N 243.350 2.715 30 20 BFED C[C@@H]1CC(=NNc2cccc(C#N)c2)[C@@H](C)O1 834937941 VAFRAFLUHDEGTL-NXEZZACHSA-N 229.283 2.523 30 20 BFED CC(C)ON=C1CCc2ccc(C#N)cc21 834999998 GVOFCIVNNQXYCE-UHFFFAOYSA-N 214.268 2.634 30 20 BFED C[C@H]1CCC[C@]1(C)C(=O)OCCCC#N 835265957 VFXSLPKAYLEEIP-JQWIXIFHSA-N 209.289 2.660 30 20 BFED C=CCOCCOC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 835455529 SMNLDINVSWVNBV-YNEHKIRRSA-N 240.343 2.805 30 20 BFED C=CC(C)(C)COC(=O)[C@H](F)C(C)C 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BFED C#C[C@](C)(CC)NCCOc1ccccc1C 852097683 UHEHHPRTKUVELA-OAHLLOKOSA-N 231.339 2.765 30 20 BFED C#C[C@H](NC(=O)N[C@H](CC)C1CC1)C(C)(C)C 852341583 QVIRTHHIRDYHBM-NEPJUHHUSA-N 236.359 2.522 30 20 BFED C=CC[C@@H]1CCCN(CCC(=O)C(C)C)C1 852411882 VZLMXJZSPMMGTC-CYBMUJFWSA-N 223.360 2.890 30 20 BFED CCCCCCCC(=O)NC[C@@H]1CC(C)=NO1 854790770 NSVAXZRKXSVNKX-LBPRGKRZSA-N 240.347 2.628 30 20 BFED C#CCCCCN[C@@H]1CCCc2scnc21 858380315 YATDIYIVTZPIQQ-LLVKDONJSA-N 234.368 2.914 30 20 BFED C=CC(C)(C)C(=O)OCc1ccc2cc[nH]c2n1 861032336 FUWVNFAODUOXQR-UHFFFAOYSA-N 244.294 2.818 30 20 BFED C=CC(C)(C)C(=O)NCc1cc(C)ccc1O 862755492 UBNGZUNBMAQRTC-UHFFFAOYSA-N 233.311 2.529 30 20 BFED CCON(C(=O)c1ccccc1CC#N)C(C)C 869085103 UKYPAQBCLRMEOB-UHFFFAOYSA-N 246.310 2.555 30 20 BFED C(=NOCCC1CC1)c1ccc2nccnc2c1 872378807 QIGVFCYNRJPMEX-UHFFFAOYSA-N 241.294 2.780 30 20 BFED CNc1ccccc1C=NN1CCCC[C@H]1C 872389122 ZHTXOLSVDIPMON-GFCCVEGCSA-N 231.343 2.937 30 20 BFED C#C[C@@](C)(CC)NC(=O)Nc1ccc(C)nc1C 878908544 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C[C@H](C/N=C\c1cccc(O)c1O)C1CC1 920178452 RBCVTCJJWRGXFR-ZJTXEKFPSA-N 219.284 2.563 30 20 BFED C=CCCCNCc1cnn(C2CCC2)c1 922078524 DJCMBUUHENBZPK-UHFFFAOYSA-N 219.332 2.664 30 20 BFED CC#CC(=O)N1CCC[C@@H]1[C@@H](C)c1ccccc1 928384612 LDWMEAYQWTVPBV-DZGCQCFKSA-N 241.334 2.804 30 20 BFED N#CC1(CCCCN2CC[C@@H](F)C2)CCC1 930602531 WAXGUYSLTWQSSJ-GFCCVEGCSA-N 224.323 2.894 30 20 BFED C=CCCN(OC)[C@@H](C)c1csc(C)n1 931540125 HVQLIEBNEZDEAW-VIFPVBQESA-N 226.345 2.952 30 20 BFED C=C(C)CN(C)C(=O)[C@@H](C)c1cccc(O)c1 935275583 ZMKHNBQPROHBNZ-NSHDSACASA-N 233.311 2.530 30 20 BFED FC(F)(F)CON=Cc1cccn1C1CC1 1117783349 YKBOVNKERZNUHQ-UHFFFAOYSA-N 232.205 2.736 30 20 BFED CCCC(C#N)(CCC)NC(=O)[C@@H](F)CC 1121168099 UXQLDPQVEJVTMA-JTQLQIEISA-N 228.311 2.713 30 20 BFED Cc1c(F)cccc1C(=O)O[C@H]1CC[C@H](C#N)C1 1122651178 YZPPAYFLRRBRMU-QWRGUYRKSA-N 247.269 2.983 30 20 BFED C=C(CC)C(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 1123787169 WHILPVNOZGFYQJ-QJPTWQEYSA-N 209.333 2.894 30 20 BFED Cn1cnc(CSc2ccc(C#N)cc2F)c1 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30 20 BFED C=C(C)CN(C)c1ncccc1Br 219340711 LXZGUKYZJZWDSC-UHFFFAOYSA-N 241.132 2.856 30 20 BFED CC[C@H](C)N(C)Cc1ccc(C#N)c(OC)c1 233978045 UHJYYPSMZPDFEC-NSHDSACASA-N 232.327 2.797 30 20 BFED COc1cc(C#N)cc(OCC2(CC#N)CC2)c1 234958884 FCDZDUXNEBGTJF-UHFFFAOYSA-N 242.278 2.640 30 20 BFED N#Cc1ccc(N[C@@H](CN)C2CCCC2)c(F)c1 236213412 ICOXTZVAVQHPFD-AWEZNQCLSA-N 247.317 2.627 30 20 BFED C[C@@H](CC#N)N(C)C[C@H]1CCOc2ccccc21 252742435 ZEJTXUINZNHVRV-QWHCGFSZSA-N 244.338 2.787 30 20 BFED Cc1cc(F)ccc1/C=C\C(=O)c1cnccn1 255770332 JBKGOAIBHLLCAK-HYXAFXHYSA-N 242.253 2.820 30 20 BFED CC[C@H](C#N)C(=O)NCC(C)(C)C1CCCC1 258784193 NJDJQHZAHIQXNT-LLVKDONJSA-N 236.359 2.869 30 20 BFED N#CC1CCN(c2ncc(Cl)cc2F)CC1 267503424 NRINBRMVFVSFGQ-UHFFFAOYSA-N 239.681 2.614 30 20 BFED CC[C@H]1CCC[C@H]1Nc1ncccc1C#N 268250950 PHUYUATWMZQJMU-CMPLNLGQSA-N 215.300 2.944 30 20 BFED C=C(C)CN1CCC(Nc2cc(C)ccn2)CC1 268314226 KZOOONQSICNENH-UHFFFAOYSA-N 245.370 2.842 30 20 BFED C#CCCOc1ccc(C(=O)CC)cc1F 269763000 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C[C@H]1CCC[C@]1(C)C(=O)N[C@@H]1CC[C@H](C#N)C1 424969163 ZPVOWZWBMOBYQK-FMSGJZPZSA-N 234.343 2.621 30 20 BFED C=CCN(CCC#N)Cc1ccc(C#N)cc1F 428830552 BMPLXILDJVYWFR-UHFFFAOYSA-N 243.285 2.599 30 20 BFED CN(CCCCC(C)(C)C#N)CC1(O)CCC1 444669240 DQDOPVLYGJHIQU-UHFFFAOYSA-N 238.375 2.553 30 20 BFED C=CCOCCCN1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 452056199 VUORMCSWGGHJRC-QKPAOTATSA-N 249.398 2.947 30 20 BFED C=C(C)[C@@H](CC(=O)N[C@@H](CC)C(F)F)OCC 452237998 AHQFQJRCTYDUDK-VHSXEESVSA-N 249.301 2.518 30 20 BFED C=C(C)CCNC(=O)[C@H](C)c1ccsc1 452717613 MLXSIHHXGYYRLF-SNVBAGLBSA-N 223.341 2.934 30 20 BFED C=CCCC(=O)NCC(C)(C)C1CCC1 452781616 BOBTXTWXGXKNFJ-UHFFFAOYSA-N 209.333 2.895 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(C)cc1 453340812 CMBFMXYBXNRGPR-YUELXQCFSA-N 231.339 2.989 30 20 BFED C=CCCC[C@H](C)NC(=O)N[C@H]1CCC[C@H]1F 454818814 VMHWKRWXMLZSIK-TUAOUCFPSA-N 242.338 2.921 30 20 BFED C=C(CC)CNC(=O)NCC1=CCCCC1 455149538 WSWODEMSLWWXNS-UHFFFAOYSA-N 222.332 2.752 30 20 BFED CSCCCCC(=O)NCC(C)(C)CC#N 457996391 SATBLWVPHSLJSG-UHFFFAOYSA-N 242.388 2.576 30 20 BFED C=C(CC)CNC(=O)N[C@@]1(C)CC=CCC1 459101650 SWSZMCSWHGRPBF-ZDUSSCGKSA-N 222.332 2.751 30 20 BFED C#C[C@@H](C)N(C)C(=O)C=C1CCC(C)CC1 491404933 FODLGVIPYAYGGC-PIJUOVFKSA-N 219.328 2.603 30 20 BFED C#C[C@H](C)N(C)C(=O)Nc1cc(C)cc(C)c1 491655598 HIBAJRFIIBPDQB-LBPRGKRZSA-N 230.311 2.789 30 20 BFED CC1(C)C[C@]1(C#N)NC(=O)[C@H]1CC12CCCCC2 514703038 ZPVOEKPBRNKOPK-IAQYHMDHSA-N 246.354 2.765 30 20 BFED N#CC1(CN2CCC[C@H]2C(F)(F)F)CCC1 528670452 RKBFNTIRUSDEIY-VIFPVBQESA-N 232.249 2.707 30 20 BFED C=CCN(C)C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 547953158 KFKRNIKKMAMJES-JQWIXIFHSA-N 248.326 2.730 30 20 BFED N#Cc1cnc(NCC(C2CC2)C2CC2)c(F)c1 563689183 JKEJKKRJZUKZJF-UHFFFAOYSA-N 245.301 2.940 30 20 BFED CCC[C@@H](Nc1cc(C#N)ncn1)C(C)(C)C 590715051 NGCOXLVCAJSCGP-LLVKDONJSA-N 232.331 2.975 30 20 BFED CCC(C)(CC)C(=O)N[C@@H]1CC[C@H](C#N)C1 591797981 FRACFLQOMVCMJD-WDEREUQCSA-N 222.332 2.621 30 20 BFED CC[C@@H](C#N)C(=O)N(C)[C@H]1CCc2ccccc21 593397632 NHCLKNNZPCJGCJ-FZMZJTMJSA-N 242.322 2.682 30 20 BFED C=CCCSCCN[C@H](C)C1CCOCC1 595060586 VZVLVDSVFIYWOD-GFCCVEGCSA-N 243.416 2.700 30 20 BFED CC(C)=CCCN(CCC#N)CC1CC1 595335060 URONPDMVXVFPEE-UHFFFAOYSA-N 206.333 2.968 30 20 BFED C[C@H](c1cccc(C#N)c1)N1CC[C@@H]2C[C@H]2C1 595810809 OKKLZTKNKPITFH-DFBGVHRSSA-N 226.323 2.961 30 20 BFED Cc1cc(NC[C@@H](C)C#N)c([N+](=O)[O-])s1 596141773 KGIVJSLRUVPXRE-LURJTMIESA-N 225.273 2.536 30 20 BFED C[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1C 596144111 DKZVLLXYOCXTIY-RNFRBKRXSA-N 241.747 2.760 30 20 BFED N#Cc1ccc(N[C@@]23CCC[C@H]2C3)cc1[N+](=O)[O-] 596317737 UZIUQRATAAEJIN-GXFFZTMASA-N 243.266 2.821 30 20 BFED N#Cc1cc(F)ccc1NC[C@H](CO)CC1CC1 596491989 GTFKDCDSDCXYRG-LLVKDONJSA-N 248.301 2.518 30 20 BFED C=CCCc1nc(CC2(CSC)CC2)no1 596610153 XTGZXMMFJHWUSD-UHFFFAOYSA-N 238.356 2.874 30 20 BFED N#CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 597902396 STKOEMLEIPXZFA-KWCYVHTRSA-N 246.354 2.575 30 20 BFED Cc1ccc(F)c(C(=O)N(C2CC2)[C@@H](C)C#N)c1 598131060 WXNHIPVXTUZRBT-JTQLQIEISA-N 246.285 2.651 30 20 BFED CC1CC(CNC(=O)c2cccc(CC#N)c2)C1 598778001 FTKULULWTMNYLO-UHFFFAOYSA-N 242.322 2.529 30 20 BFED CS[C@@H](C(=O)NC(C)(C)C#N)c1ccccc1 610090426 KLRUUQPBOUSMIB-LLVKDONJSA-N 248.351 2.509 30 20 BFED CC(C)C1CN(C(=O)C2(C#N)CCCCC2)C1 611078262 PVJDFSZFBGBLAL-UHFFFAOYSA-N 234.343 2.575 30 20 BFED N#C[C@@]1(F)CCN(Cc2cscc2Cl)C1 615650048 DIJUWTLIUIDISR-JTQLQIEISA-N 244.722 2.839 30 20 BFED COc1ccccc1N(C)C(=O)CC(C)(C)C#N 618639171 DDAKMMRANIYBGV-UHFFFAOYSA-N 246.310 2.598 30 20 BFED C=CCCC(C)(C)NC(=O)c1scnc1C 620861216 HLRVNHBJVXMXDD-UHFFFAOYSA-N 238.356 2.926 30 20 BFED C=CCN(CC=C)Cc1cncc(OCC)c1 621708877 CUFNEQBHUSJGOL-UHFFFAOYSA-N 232.327 2.654 30 20 BFED C=C(CC)CNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21 627685130 KANXFJPLYLMJOB-RRFJBIMHSA-N 241.334 2.655 30 20 BFED C=CCC(C)(C)CNC(=O)C(C)(C)OCC 633197544 SJSRLCPXKSKYBI-UHFFFAOYSA-N 227.348 2.520 30 20 BFED C=C(C)CCN1C[C@H](C)OC2(CCCC2)C1 646135808 ZIGHAIJVNPEMMI-ZDUSSCGKSA-N 223.360 2.986 30 20 BFED C=CCC1(CNC(=O)[C@H]2C[C@@H]2C)CCCC1 654081858 IETHQFYCAKEKRL-RYUDHWBXSA-N 221.344 2.895 30 20 BFED C=CCCNCc1c(F)cc(C)cc1F 657583517 NFPSKAKDKHNNMP-UHFFFAOYSA-N 211.255 2.939 30 20 BFED C=CC[C@@H]1CCCC[C@@H]1NC[C@](C)(O)C1CC1 657877018 IBZQROZUMWZYJM-SNPRPXQTSA-N 237.387 2.872 30 20 BFED C=CC[C@@H]1CCCN(CCN2CCCCC2)C1 661381308 ZXQXWDUQARJNHD-OAHLLOKOSA-N 236.403 2.760 30 20 BFED C=CCCC(C)(C)NC(=O)Nc1ccnc(C)n1 666707802 HQOYULPNHNIZRM-UHFFFAOYSA-N 248.330 2.651 30 20 BFED C=CC[C@H]1CCCN(Cc2cnc(CC)nc2)C1 668492958 IBQDJBSEDRRUMW-ZDUSSCGKSA-N 245.370 2.827 30 20 BFED C=CCCN(C)C[C@H]1CCC2(CCCC2)O1 669934865 MUSXOTOHTUMPSZ-CYBMUJFWSA-N 223.360 2.986 30 20 BFED C=CCCCCNC(=O)c1nc(C)c(C)s1 683570040 WPQYFORFABGQFB-UHFFFAOYSA-N 238.356 2.846 30 20 BFED CCCCCCCCN[C@H](C)C1CNC1 686245843 LXSLCKDPQKOZFF-GFCCVEGCSA-N 212.381 2.544 30 20 BFED CC(C)(C)c1n[nH]cc1C=NNC1CCCC1 727651634 JGWXKUKYKIWRKA-UHFFFAOYSA-N 234.347 2.573 30 20 BFED CCON=C(C)c1ccc(C)c(C)c1O 728157509 YBCUAOBQSHKTAL-UHFFFAOYSA-N 207.273 2.770 30 20 BFED N#Cc1cc(F)ccc1COC(=O)c1ccoc1 728618999 BAFDXUJNCZCRMS-UHFFFAOYSA-N 245.209 2.647 30 20 BFED CC(=NNC(=S)NC(C)(C)C)C1CCCC1 733076656 QRDIZGSBEDEIPR-UHFFFAOYSA-N 241.404 2.815 30 20 BFED C=CCCCOC(=O)/C=C/c1ccc(O)cc1 735526346 ZPHSSUYAQHUAMQ-JXMROGBWSA-N 232.279 2.915 30 20 BFED CCc1ccccc1NN=C1CCO[C@@H]1C 747753495 PPUMEHHCKKQHRS-SNVBAGLBSA-N 218.300 2.826 30 20 BFED C=C(C)CNC(=S)N(C)[C@@H](C)C1(C)CC1 752249097 XAPWVKPOJFGMCV-JTQLQIEISA-N 226.389 2.557 30 20 BFED CCN(C[C@H](C)C#N)C(=O)/C=C1\CC[C@@H](C)C1 753583018 JLHMJTJCMTXBAW-CDRMENOJSA-N 234.343 2.741 30 20 BFED Clc1ccc(NN=Cc2cnc[nH]2)cc1 755462171 PHPOMEDRYWXOQL-UHFFFAOYSA-N 220.663 2.509 30 20 BFED CC(=NN=c1cc[nH]cc1Cl)c1ccco1 756848698 MBBHHQSMDBSKKZ-UHFFFAOYSA-N 235.674 2.586 30 20 BFED FC(F)SCc1ccc(C=NNC2CC2)o1 758129020 HFJGVDPXZWLFOM-UHFFFAOYSA-N 246.282 2.821 30 20 BFED C#CCCCC(=O)N[C@](C)(CC)C(F)(F)F 758496231 NCBASHFXFVQZBD-SNVBAGLBSA-N 235.249 2.637 30 20 BFED Cc1ccc(NN=Cc2cc(C)sc2C)nn1 760252716 JIHOFYDAXGLJTQ-UHFFFAOYSA-N 246.339 2.909 30 20 BFED CC(C)c1ccc(N(C)C(=O)[C@H](C)C#N)cc1 763744831 XGJUJNGGPVWIRX-LLVKDONJSA-N 230.311 2.932 30 20 BFED C[C@H]1CC(=NNc2cnccn2)CC[C@H]1C 767356090 NJXPMVIUNOKQEV-ZJUUUORDSA-N 218.304 2.701 30 20 BFED CC(C)Oc1cccc(C=NNC[C@@H](C)C#N)c1 771108196 RQPPCENTLQPECK-LBPRGKRZSA-N 245.326 2.557 30 20 BFED CC(C)CNN=Cc1cccc2[nH]ccc12 771561042 HMYXPPMWGFOZLL-UHFFFAOYSA-N 215.300 2.747 30 20 BFED C#CC[C@H](NCCCOCC)c1ccccc1 775398731 APQULSHVEMYNQK-HNNXBMFYSA-N 231.339 2.767 30 20 BFED C=C[C@H](CC)OC(=O)c1cc(C)cc2c[nH]nc12 776101651 RYCRRPATIVAHFG-LLVKDONJSA-N 244.294 2.993 30 20 BFED CC(C)(C#N)CCOC(=O)c1ccc(C=O)cc1 776369063 IDGKDMUCMXKNRW-UHFFFAOYSA-N 245.278 2.596 30 20 BFED C=C(C)CNC(=O)NCc1c(C)cccc1F 777654387 RBYLCWHFIQKPKG-UHFFFAOYSA-N 236.290 2.509 30 20 BFED COC[C@H](C)NN=C(C)c1cc2ccccc2o1 777893826 VWSNATAHHMNUGW-JTQLQIEISA-N 246.310 2.781 30 20 BFED COc1ccc(NN=C(C)[C@@H]2CCCOC2)cc1 779785800 WHDKFFLGSIFTRS-GFCCVEGCSA-N 248.326 2.910 30 20 BFED CC(Cc1ccsc1)=NN=c1cc[nH]cc1 779811694 QUSJYUAFILYOQA-UHFFFAOYSA-N 231.324 2.596 30 20 BFED CC(=NN[C@@H]1CCCOC1)c1cc(C)ccc1C 780261269 RDYSWUVRUZMWSY-CQSZACIVSA-N 246.354 2.796 30 20 BFED CC(=NN[C@H]1CCCC1(C)C)[C@H]1CCCO1 782298495 AQKXBWCJUZYECZ-NEPJUHHUSA-N 224.348 2.710 30 20 BFED C=CCOC(=O)CCc1ncc(C(C)(C)C)o1 786204445 AZPJUBLIKPCJMT-UHFFFAOYSA-N 237.299 2.634 30 20 BFED C=C(Cl)COC(=O)CSCC(F)(F)F 786452234 PPEIRRCZRRQWET-UHFFFAOYSA-N 248.653 2.578 30 20 BFED C/C=C(\CC)C(=O)OCc1cccc(C#N)c1 789223688 CCQFMRCUWAHDTG-QLKAYGNNSA-N 229.279 2.958 30 20 BFED CC[C@H](C)CON=C1CCCN(C)CC1 793147056 YCFFTXXMHINQNJ-NSHDSACASA-N 212.337 2.521 30 20 BFED FC(F)(F)CCNN=C/C=C/c1ccco1 794547245 HJSJZOMEXLXGJR-SVUIXXCFSA-N 232.205 2.821 30 20 BFED C=CCNN=Cc1cccc(Cl)c1OCC 794999575 KVJFGGGBOISYOO-UHFFFAOYSA-N 238.718 2.848 30 20 BFED C=CCN(C(=O)N(C)CC(C)C)C(C)C 797443475 YCQVCLCZUFBFJC-UHFFFAOYSA-N 212.337 2.591 30 20 BFED Cc1oc(C#N)cc1C(=O)NC[C@@H](C)C(C)(C)C 797875576 FPLPXUWJCGEEEE-SECBINFHSA-N 248.326 2.872 30 20 BFED C=CCCC(=O)Nc1ccc(OCOC)cc1 798133056 QHZKOMVOARATJJ-UHFFFAOYSA-N 235.283 2.574 30 20 BFED Cn1c(Cl)cnc1C=NOC1CCCCC1 799485787 VSZODRPEKUCSKK-UHFFFAOYSA-N 241.722 2.757 30 20 BFED COCC[C@@H]1CCCC1=NNc1ccccn1 799869551 WMLGKSWVQDZOAQ-NSHDSACASA-N 233.315 2.686 30 20 BFED Cc1ncccc1C=NNCC1CCCC1 808006423 SZCULJIKLWSUBO-UHFFFAOYSA-N 217.316 2.504 30 20 BFED CO[C@@]1(C)CC(=NOC2CCC2)C1(C)C 812236944 BCVAPNCQTUCPOE-LBPRGKRZSA-N 211.305 2.747 30 20 BFED Oc1c(F)cc(C=NOCCC2CC2)cc1F 814245429 RSOSHYYYPFETKY-UHFFFAOYSA-N 241.237 2.821 30 20 BFED CCOC1CC(=NNc2nc3ccccc3[nH]2)C1 814708805 NBJDPFSICVFVOC-UHFFFAOYSA-N 244.298 2.530 30 20 BFED C#CCN(C)CCCN[C@H](C)[C@H](C)CCCC 815652644 LBSCCBAFDMOTCV-HUUCEWRRSA-N 238.419 2.746 30 20 BFED CC1(COC(=O)c2ccc(C#N)o2)C[C@H]2C[C@@H]2C1 816135646 CKEAQSZLWSQCCH-NXEZZACHSA-N 245.278 2.744 30 20 BFED CC(C)(C#N)CCCOC(=O)[C@@]1(C)CC1(F)F 817252188 ONVJJWWHNWIQJA-LLVKDONJSA-N 245.269 2.905 30 20 BFED CCN(CCC#N)CC[C@H]1CC1(Cl)Cl 822663224 ADBRTSIKTKGMAY-VIFPVBQESA-N 235.158 2.806 30 20 BFED CC(C)C[C@H](C)OC(=O)NCC(C)(C)C#N 831069483 QWPLHEBDNGUQAV-JTQLQIEISA-N 226.320 2.697 30 20 BFED C#CCCCOc1ccc(NC(=O)O)cc1 833362516 WDFXQKSMJLAWPY-UHFFFAOYSA-N 219.240 2.569 30 20 BFED C[C@H]1C[C@H]1c1ccc(C=NNc2ccncn2)o1 835000955 CCMWFISGTSYCDD-GXSJLCMTSA-N 242.282 2.639 30 20 BFED CC[C@@H](C)C(C)=NNc1ccc(C(=O)O)nc1 835006200 BAZQXQOPTYLHAJ-MRVPVSSYSA-N 235.287 2.614 30 20 BFED C=CCONC(=O)[C@H](CCC)c1ccccc1 837043610 CHWZXFHPVPOXSG-CYBMUJFWSA-N 233.311 2.804 30 20 BFED Cc1ccc(C(=O)OCC2(C#N)CCC2)cc1O 837398044 GBVRMVFPBFNZSU-UHFFFAOYSA-N 245.278 2.551 30 20 BFED Cc1cc([C@@H](C)NC(=O)C#CC2CC2)ccc1F 837460558 PWCUSYDNWBDZBV-LLVKDONJSA-N 245.297 2.725 30 20 BFED C#CCN(CC)C(=O)NCC1(CC=C)CCCC1 838699267 ZIIRWLHREUBJLY-UHFFFAOYSA-N 248.370 2.788 30 20 BFED C#CCC(C)(C)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839061326 CISFMNGWNIZWBR-NEPJUHHUSA-N 233.311 2.661 30 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30 20 BFED C=CCCC(=O)O[C@H](CC#N)c1ccco1 1344935520 GNLRNXBQECAKJL-LLVKDONJSA-N 219.240 2.744 30 20 BFED C=CC(C)(C)C(=O)O[C@@H](CC#N)c1ccco1 1345980989 DSPDBCDCYLCQGE-NSHDSACASA-N 233.267 2.990 30 20 BFED C=CC[C@@H](NC(=O)C(=C)CC)c1ccncc1 1346519475 NLBALFYLEOSMHT-CYBMUJFWSA-N 230.311 2.781 30 20 BFED C=C(CC)C(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 1346522894 FSIDYZMBQCJZMF-UONOGXRCSA-N 229.323 2.700 30 20 BFED C#CCCCCNC(=O)N1CCC[C@@H]1CCC 1350785763 PHJPLVTWVYFXJZ-ZDUSSCGKSA-N 236.359 2.764 30 20 BFED CC(C)(C)C#CC(=O)Nc1cc(C(C)(C)C)[nH]n1 1353333864 FEHFTCHUFHOMGQ-UHFFFAOYSA-N 247.342 2.695 30 20 BFED CCc1ccc(N2CCC[C@@](C)(C#N)C2)nc1 1354157267 PXFSUISLJRLAKJ-AWEZNQCLSA-N 229.327 2.774 30 20 BFED C=C(C)CCC(=O)N[C@@H](C#N)C1CCCCC1 1358012017 YGIKYYSWYKNRPJ-ZDUSSCGKSA-N 234.343 2.931 30 20 BFED C=CCCC[C@H](N)C(=O)NC(C)(C)CCC=C 1522085676 VNCWKIFPPNWQGB-LBPRGKRZSA-N 238.375 2.531 30 20 BFED C=C[C@@H](Nc1ccc(C)c(OC(C)C)c1)C(=O)O 1588702355 QYCDDSWRDSLRNA-GFCCVEGCSA-N 249.310 2.833 30 20 BFED C=CC[C@H](CC)N[C@@H](C(=O)O)c1ccsc1 1588735569 FDEDLCYSLGWIDW-WDEREUQCSA-N 239.340 2.818 30 20 BFED CC[C@@H]1CCN(c2cc(C)ncc2C#N)[C@@H]1C 1642596101 DSRAUGXGZBSJJB-VXGBXAGGSA-N 229.327 2.887 30 20 BFED CCCN(CCOc1cccc(C#N)c1)C1CC1 34674566 LWHWDMYHXLUYOQ-UHFFFAOYSA-N 244.338 2.811 30 20 BFED CC[C@H](C)CNc1ccc([N+](=O)[O-])cc1C#N 37131419 QRWIKVCMTPWVKD-VIFPVBQESA-N 233.271 2.924 30 20 BFED Cc1ccoc1C(=O)N[C@H](C#N)C1CCCCC1 40360437 RXEBQUIQQPGAFI-GFCCVEGCSA-N 246.310 2.790 30 20 BFED CCCCC(=O)N[C@@H](C#N)C1CCCCC1 41066715 BYGYYMMDISUESN-LBPRGKRZSA-N 222.332 2.765 30 20 BFED CCC(CC)Nc1nc(C)ccc1C#N 43395388 NGJISJSSKPPIIW-UHFFFAOYSA-N 203.289 2.862 30 20 BFED C=CCN(C(=O)c1cccc(Cl)n1)C(C)C 51073901 DPLGHPQJANWZOH-UHFFFAOYSA-N 238.718 2.772 30 20 BFED C[C@@H]1CCN(c2ccc(C#N)cn2)[C@H](C)C1 51733934 POTIOGACDLQPMQ-GHMZBOCLSA-N 215.300 2.578 30 20 BFED C[C@@H](C#N)NC(=O)c1cc2c(s1)CC[C@@H](C)C2 68925499 KYZMMXQTGUVICF-BDAKNGLRSA-N 248.351 2.515 30 20 BFED C#CCCN1CCc2sccc2[C@H]1C 70159616 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C=CC[C@H](C)NC(=O)c1ccc2cc[nH]c2c1 116861139 QQONNXVCGYNTQO-JTQLQIEISA-N 228.295 2.862 30 20 BFED C=CCCCSc1nc(=O)ccn1C(C)C 117553660 KCKHKQOSHFNKFT-UHFFFAOYSA-N 238.356 2.883 30 20 BFED CCn1nccc1CN(CCC#N)CCC(C)C 119169190 GISUVDSJIFJXBR-UHFFFAOYSA-N 248.374 2.665 30 20 BFED CC#CCNC(=O)[C@@H](C)Cc1ccc(Cl)cc1 121235106 ARFFXUKZVYDNRD-NSHDSACASA-N 249.741 2.658 30 20 BFED CC(C)[C@](C)(C#N)NC(=O)c1ccc(Cl)o1 122286336 JWHPZSHGQZZBHO-NSHDSACASA-N 240.690 2.601 30 20 BFED CC[C@@H](C#N)NC(=O)c1sccc1SC 123496236 ONVXZNIPPWEWKU-ZETCQYMHSA-N 240.353 2.502 30 20 BFED C=C(C)CN(CC)Cc1ccc(C)cn1 127721168 OZJCBOIKJFKTCI-UHFFFAOYSA-N 204.317 2.788 30 20 BFED C#CCNc1ccn(-c2ccccc2Cl)n1 132074933 XZWXNFRGGZKZNO-UHFFFAOYSA-N 231.686 2.571 30 20 BFED N#Cc1cccc(NCCCCCCO)c1 132488087 LTONQROPNLEHCZ-UHFFFAOYSA-N 218.300 2.523 30 20 BFED CC#CCN[C@@H]1C[C@H](OCCCC)C1(C)C 132950407 AUUHDANUPVLZFB-OLZOCXBDSA-N 223.360 2.583 30 20 BFED CCC[C@H](C)N(C)C(=O)[C@@](C)(C#N)CC 136194322 KOEALEGECWIERP-CMPLNLGQSA-N 210.321 2.573 30 20 BFED CC1(C)C[C@@H]1C(=O)Nc1ccc(C#N)cc1 152501838 GKSCDEUAUXKWGY-LLVKDONJSA-N 214.268 2.543 30 20 BFED C#CCCCCNC(=O)C[C@@H](CC)C(C)C 156546789 RCGJEDLMEKAQBL-CYBMUJFWSA-N 223.360 2.978 30 20 BFED C=CCCNc1ccc(Cl)cc1C(=O)NC 157150673 RQRZFICYMZKTJD-UHFFFAOYSA-N 238.718 2.688 30 20 BFED C=CCC(CC=C)C(=O)N(C)c1ccccn1 160109415 QZOSBLGTZSRDPE-UHFFFAOYSA-N 230.311 2.813 30 20 BFED C[C@H](CC#N)N(C)Cc1ccc(C#N)cc1Cl 162852239 CYUHKQAODRXAMJ-SNVBAGLBSA-N 247.729 2.946 30 20 BFED Cc1ccc(/C=C/C(=O)c2cc(C)nn2C)cc1 165173340 WZFPFJMBXDBZMT-CMDGGOBGSA-N 240.306 2.933 30 20 BFED CC(C)[C@H](C)C(=O)NCc1cc(C#N)ccc1F 174412405 ZLMRFMYGYQMNTM-JTQLQIEISA-N 248.301 2.606 30 20 BFED CC#CCN(C)[C@@H]1CCCN(c2ccccc2)C1 174678273 JUUPSTNQSRZDSK-MRXNPFEDSA-N 242.366 2.611 30 20 BFED C=CCCCC(=O)Nc1ccc(F)cn1 175358447 JCMDQEVXOYPPRL-UHFFFAOYSA-N 208.236 2.516 30 20 BFED C=C(C)COC(=O)Cc1ccc(F)cc1F 176735558 KDMINTQGOCNVID-UHFFFAOYSA-N 226.222 2.627 30 20 BFED C=CCSCCNC(=O)C(CC=C)CC=C 177031111 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COc1cc(C#N)cc(OCC(=O)C(C)(C)C)c1 234809178 FCADGXPTDBVCJS-UHFFFAOYSA-N 247.294 2.561 30 20 BFED C=CCCC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C 247102817 VCQKTWMDKXXMKR-GRYCIOLGSA-N 209.333 2.894 30 20 BFED CC[C@@H](C#N)C(=O)NCc1coc2ccccc12 258792274 OBWBGDPZDAMUOI-JTQLQIEISA-N 242.278 2.599 30 20 BFED N#CC1(CNCCc2ccc(Cl)cc2)CC1 258811600 BNXGMQZOVWCAGQ-UHFFFAOYSA-N 234.730 2.776 30 20 BFED C=CC[C@@H](C)Nc1ncc(C#N)cc1Cl 265332039 MRXARVPLRCQQKF-MRVPVSSYSA-N 221.691 2.983 30 20 BFED C[C@H](CCCCO)N[C@H](C)c1ccc(C#N)cc1 272251588 CDZNZYPVMQZHSS-CHWSQXEVSA-N 246.354 2.760 30 20 BFED C=C1CCN(c2nc(C)nc3c2CCCC3)CC1 272938090 WMJWCYHEVBHCTK-UHFFFAOYSA-N 243.354 2.820 30 20 BFED C#CCN(C(=O)CCCc1cccs1)C1CC1 273999249 DONUQOSVHFNFGC-UHFFFAOYSA-N 247.363 2.695 30 20 BFED Cc1cc([C@@H](NC(=O)CC#N)C2CC2)ccc1F 274738864 CNYVOXQPJAEEOT-AWEZNQCLSA-N 246.285 2.615 30 20 BFED C#C[C@H](C)NC(=O)NC[C@H](CC)c1ccccc1 274786032 KJDUHJMPTVOSRA-STQMWFEESA-N 244.338 2.501 30 20 BFED C#CCN(C(=O)C1=CCCCCC1)C1CC1 274857323 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221.281 2.719 30 20 BFED C=CCn1c([C@@H]2C[C@H]2C)nnc1N1CCC[C@H]1C 1355949631 FMDWFORQCZFPBU-IJLUTSLNSA-N 246.358 2.576 30 20 BFED CC(C)[C@H]1CCCCCN1CCO[C@@H](C)C#N 1473319462 UPCCNSKJWOXNFB-UONOGXRCSA-N 238.375 2.816 30 20 BFED CCCC(C)(C)C(=O)[C@H](C#N)c1nccn1CC 1517045152 ARDMOAZLTPYSCQ-NSHDSACASA-N 247.342 2.906 30 20 BFED C#CCCCCCC(=O)OCc1oc(C)nc1C 1520106486 LPDGCYWKRHNWRD-UHFFFAOYSA-N 249.310 2.918 30 20 BFED C=C(CC)C(=O)Nc1nc(C(C)C)ns1 1520502178 WIHMYVIIXKZRHB-UHFFFAOYSA-N 225.317 2.566 30 20 BFED C=C(CC)C(=O)N[C@@H](c1ccccn1)C(C)C 1528572579 KYNRKOGCJXYBNI-CYBMUJFWSA-N 232.327 2.861 30 20 BFED C=CCCC(C)(C)CNC[C@]1(C)CCNC1 1574900325 URSLBKAZXDTCNQ-CQSZACIVSA-N 224.392 2.568 30 20 BFED Cc1cc(C#N)nc(-c2ccc(C)s2)n1 1898208431 YQFRLGMQUPEFBR-UHFFFAOYSA-N 215.281 2.694 30 20 BFED N#CCCNc1ccc([N+](=O)[O-])cc1Cl 33433720 SWOPGDZKNFSGJB-UHFFFAOYSA-N 225.635 2.574 30 20 BFED C[C@@H](CN1CCCCC1)Nc1ccc(C#N)cc1 47873416 AHYRUXAUJNMYJS-ZDUSSCGKSA-N 243.354 2.845 30 20 BFED 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2.908 30 20 BFED C=CCC[C@H](C)NCC1(C)CCN(C)CC1 230672032 HKYPUJRVUXZLNL-ZDUSSCGKSA-N 224.392 2.663 30 20 BFED CC1(C(=O)NCCCCC#N)CCCCC1 232195171 JINLSLLFFLKWIS-UHFFFAOYSA-N 222.332 2.767 30 20 BFED Cc1nc(CON=Cc2cccs2)oc1C 255660937 JDNRQTQVLGFONP-UHFFFAOYSA-N 236.296 2.904 30 20 BFED CN(c1ccc(Cl)c(C#N)n1)C1CCC1 267225919 OWCCDMVGAZJZMA-UHFFFAOYSA-N 221.691 2.595 30 20 BFED C=CCCCC(=O)N1CCCc2ncccc21 267248260 NUYKTFVPWRANFQ-UHFFFAOYSA-N 230.311 2.717 30 20 BFED C#CCCN1CC=C(c2ccc(F)cc2)CC1 268745386 VGPAVXBZQWTPNU-UHFFFAOYSA-N 229.298 2.938 30 20 BFED C[C@H]1C[C@@H](CNc2cccc(F)c2C#N)CCO1 271443950 XUJKLMXJWXKXCH-QWRGUYRKSA-N 248.301 2.924 30 20 BFED C=CCCCCNC(=O)Cc1ccc(C#N)cc1 274599323 HGLHIFGYTMDLIX-UHFFFAOYSA-N 242.322 2.573 30 20 BFED N#Cc1cc(F)ccc1N[C@H]1CCC[C@H]1CCO 275038681 PXHCUIWQEWJIMY-GWCFXTLKSA-N 248.301 2.660 30 20 BFED C=CCC[C@H](CCC)N[C@@H](C)c1ncnn1C 276562715 GMQOYQFKDXWNMJ-RYUDHWBXSA-N 236.363 2.601 30 20 BFED CC(C)=CCCNC(=O)Cc1ccc(C#N)cc1 276722900 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2.913 30 20 BFED C=CCN(CC=C)Cc1nnc(-c2ccco2)o1 52868095 GVCOEQNDFBNRKR-UHFFFAOYSA-N 245.282 2.504 30 20 BFED C=C(Br)CN(C)Cc1ccoc1C 55082488 SXTJWIOHWBLYGD-UHFFFAOYSA-N 244.132 2.928 30 20 BFED N#CCCCCN1CC[C@@H](Nc2ccccc2)C1 76758464 KQYBPCIELOSJOS-OAHLLOKOSA-N 243.354 2.867 30 20 BFED Cc1ccc(N(C)C(=O)CC#N)cc1Cl 77334775 WELUTDHAWHYAHX-UHFFFAOYSA-N 222.675 2.525 30 20 BFED C[C@@H]1C[C@H](Nc2cccc(F)c2C#N)CCN1C 90795298 BHYZNMVMUOLZDT-GHMZBOCLSA-N 247.317 2.592 30 20 BFED CC[C@H](CC(=O)N(C)[C@H](C)CC#N)C(C)C 104414613 IDDUYLGIVZRYDN-VXGBXAGGSA-N 224.348 2.819 30 20 BFED CC1(C/N=C/c2ccc(O)c(O)c2O)CCCC1 108658526 VKQWZDHDOQKGJM-OVCLIPMQSA-N 249.310 2.803 30 20 BFED C=CCCCOC(=O)CN(C)c1ccccc1 117995640 NOCFYPHSNCGJGP-UHFFFAOYSA-N 233.311 2.632 30 20 BFED C=CCCC(=O)N(C)c1nc2ccccc2n1C 120221437 GUPBBJRZFAYEFX-UHFFFAOYSA-N 243.310 2.502 30 20 BFED C[C@H](C#N)Nc1ccccc1OCC1CC1 122770318 ZSPXSDLZBSWWIM-SNVBAGLBSA-N 216.284 2.799 30 20 BFED C=C(Cl)CN1CCC(CCCN(C)C)CC1 123268942 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N#Cc1c(Cl)nsc1N[C@@H]1C=CCC1 853800712 HONOUQUMZDIDRL-ZCFIWIBFSA-N 225.704 2.799 30 20 BFED CC(C)(C)CC=NNc1ncc(Cl)cn1 857220559 JIMSIDBWQZEZPU-UHFFFAOYSA-N 226.711 2.964 30 20 BFED C#CCCCOC(=O)c1coc(SC)c1 869771124 BNAFUJMSZIXIOT-UHFFFAOYSA-N 224.281 2.572 30 20 BFED CCCCNN=Cc1c[nH]c2cccc(C#N)c12 872343249 UIGSLQHUTRSOPO-UHFFFAOYSA-N 240.310 2.763 30 20 BFED CCCCCCCC(=O)NC1CSC1 880738542 KVHWPMYSDSFNOR-UHFFFAOYSA-N 215.362 2.579 30 20 BFED Cc1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c(C#N)n1 882444384 MYQMDYVUDHWJCZ-GRYCIOLGSA-N 227.311 2.862 30 20 BFED C=C[C@@H](CC)CC(=O)N1CC[C@@H](C(F)(F)F)C1 888028576 GXYBQEZWYUEUSO-VHSXEESVSA-N 249.276 3.000 30 20 BFED C=CCN(Cc1cn(C)nc1C1CC1)C(C)C 891675307 RUCBOIHBGBKEMX-UHFFFAOYSA-N 233.359 2.694 30 20 BFED C[C@H](C#N)CNCc1cc2c(O)cccc2s1 894453444 VEJGWBBPDZKQOZ-SECBINFHSA-N 246.335 2.856 30 20 BFED C=C1CN(C(=O)[C@@H](C)c2ccc(Cl)cc2)C1 898703718 WYIBUADMTNCPJC-JTQLQIEISA-N 235.714 2.842 30 20 BFED C=CCC[C@H](CC)N[C@@H](CC(=C)C)C(=O)O 901678443 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BFED Cc1ccc(O)c2c1[C@@H](C)CC2=NNC1CC1 1337816363 PWPKQASOJJTCLC-VIFPVBQESA-N 230.311 2.664 30 20 BFED C=C(CC)C(=O)N1CCC[C@H]1[C@@H]1CCCCC1=O 1347000744 QXIKQNNCXIWSCV-STQMWFEESA-N 249.354 2.703 30 20 BFED C[C@H]1CC[C@H](OC(=O)c2csc(C#N)c2)C1 1348094674 OCBASHFZHAYCGG-WPRPVWTQSA-N 235.308 2.965 30 20 BFED C=C[C@H](CC)CC(=O)OCc1cc(C2CC2)n[nH]1 1349036692 ZGVRBYMZHWBTIO-SNVBAGLBSA-N 248.326 2.933 30 20 BFED N#CC1CCN(Cc2cccn2C(F)F)CC1 1461902365 NCDIUEUUHNJTPE-UHFFFAOYSA-N 239.269 2.619 30 20 BFED CCCCC(=O)Nc1nn(C(C)(C)C)cc1C#N 1539970330 AWGGYSJFEBOWFD-UHFFFAOYSA-N 248.330 2.638 30 20 BFED C=C[C@@H](Nc1ccc(OCCC)cc1C)C(=O)O 1588702714 WLHPRDKSVDZLBP-GFCCVEGCSA-N 249.310 2.835 30 20 BFED C[C@@H](CC#N)NCc1ccc(Cl)cc1 37871319 WFRRCTHHWHUJSQ-VIFPVBQESA-N 208.692 2.732 30 20 BFED CC[C@H](C#N)NC(=O)c1cc2ccccc2s1 42431917 NHQBOWYSVRMMCU-SNVBAGLBSA-N 244.319 2.933 30 20 BFED CCCC(C)(C)NC(=O)c1cccc(C#N)c1 50498803 SQAMMRNMSPYMBO-UHFFFAOYSA-N 230.311 2.867 30 20 BFED Cc1cc(C)c(C#N)c(SC[C@H]2CCCO2)n1 58868461 IFTMJMMYCMVGCN-LLVKDONJSA-N 248.351 2.841 30 20 BFED N#Cc1cccc(N[C@H]2CCCSC2)c1 61571245 FPVNIANIEHDENA-LBPRGKRZSA-N 218.325 2.866 30 20 BFED CCCC/C(N)=N/OCc1ccccc1 63460213 XWESQVOAFQSDCS-UHFFFAOYSA-N 206.289 2.666 30 20 BFED C[C@@H](CN(C)CCC#N)c1ccccc1 66854622 FCRLVHDAEOSGIR-LBPRGKRZSA-N 202.301 2.636 30 20 BFED C=CCc1ccc(OC(=O)[C@H]2C[C@@H]2C)c(OC)c1 70730574 ZQNQDNDLASHPHL-JQWIXIFHSA-N 246.306 2.985 30 20 BFED CCCN(CC1CC1)c1cccc(C#N)n1 81617874 HZECFUUITZTXOT-UHFFFAOYSA-N 215.300 2.580 30 20 BFED Cc1ccc([C@H](C)NC(=O)C2(C#N)CCC2)s1 83795269 RMHPDTZOSFWFNM-JTQLQIEISA-N 248.351 2.928 30 20 BFED CC[C@H](C#N)OC(=O)[C@H](C)Oc1cccc(C)c1 84714361 MGCYKUMTMGMODE-NWDGAFQWSA-N 247.294 2.608 30 20 BFED C#CCNc1ccccc1Oc1ncccc1C#N 85272490 DJYGYORQAKTFCC-UHFFFAOYSA-N 249.273 2.791 30 20 BFED C[C@@H](N[C@@H]1CCCOCC1)c1ccc(C#N)cc1 86871302 QEUKQKRHJQTMHJ-IUODEOHRSA-N 244.338 2.778 30 20 BFED Cn1ccc(CNc2ccc(OCC#N)cc2)c1 91007222 IVNJVUUYMHQRPK-UHFFFAOYSA-N 241.294 2.540 30 20 BFED C[C@@H](C#N)CN(C)Cc1ccnc2ccccc12 92347671 MSGROTNMVNCATC-LBPRGKRZSA-N 239.322 2.826 30 20 BFED CCN(CC#N)Cc1ccc(N(CC)CC)cc1 92399188 YABYIMVWPBGTRP-UHFFFAOYSA-N 245.370 2.878 30 20 BFED CCCC(C#N)(CCC)NC(=O)c1ccncc1 106421840 JRTKYARGNUHEAP-UHFFFAOYSA-N 245.326 2.674 30 20 BFED C=CC1CCN(Cc2nc(C)c(C)o2)CC1 111257986 BWLTVDFDTAYWKX-UHFFFAOYSA-N 220.316 2.689 30 20 BFED C=CCS[C@H](C)C(=O)NC(CC)CC 114757234 QLQUNBLNFCJJFF-SECBINFHSA-N 215.362 2.599 30 20 BFED CC[C@H](C#N)NC(=O)C[C@@H]1CCc2ccccc21 115354231 QDRDDDZEQNZPDA-QWHCGFSZSA-N 242.322 2.525 30 20 BFED C=CC[C@H](C)NC(=O)c1cccc(C)c1 116851087 BGFCNWJJLCZTAL-NSHDSACASA-N 203.285 2.689 30 20 BFED C=CCCCN(CC(N)=O)[C@H](C)c1ccccc1 123751153 MNFZUWSRLFVRRL-CYBMUJFWSA-N 246.354 2.501 30 20 BFED CCCCCCCOC(=O)c1cnn(C)c1 126049748 BHLDMOKYZHCBNO-UHFFFAOYSA-N 224.304 2.547 30 20 BFED N#Cc1ccc(C(=O)OCC2CCCC2)cc1 126819376 GEXFQRYGOMYLRB-UHFFFAOYSA-N 229.279 2.905 30 20 BFED C=C[C@@H](C)NCc1ccc2c(c1)CCC2 130451209 UVYBGSSCIMOUIM-LLVKDONJSA-N 201.313 2.839 30 20 BFED CC(C)(C)[C@@H](NC(=O)CC#N)c1ccc(F)cc1 130948452 OOGZFGYSAFAFQP-ZDUSSCGKSA-N 248.301 2.943 30 20 BFED Cc1cncc(CNc2ccc(C#N)cc2)c1 131600990 BJWGWTDEXMLKDE-UHFFFAOYSA-N 223.279 2.874 30 20 BFED N#CC1(C(=O)Nc2cccc(O)c2)CCCCC1 133629435 CIIKBXORVNUYOO-UHFFFAOYSA-N 244.294 2.805 30 20 BFED N#Cc1ccc(CNc2cccnc2)s1 135506815 IOVSLWJMYNJMQN-UHFFFAOYSA-N 215.281 2.627 30 20 BFED Cc1cc(COc2cccc(F)c2C#N)no1 143539734 LCEVMCGFENADHH-UHFFFAOYSA-N 232.214 2.573 30 20 BFED C=CCC(CC=C)C(=O)N[C@@H](C#N)C(C)(C)C 151455219 GTRZANDDNQHUKL-LBPRGKRZSA-N 234.343 2.809 30 20 BFED CCCN(CC#N)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 151958926 AZZMBGJWZBZCQY-ZIAGYGMSSA-N 248.370 2.965 30 20 BFED CC#CCCN(C)CCCOc1ccc(F)cc1 155091920 MUJBQDLPBZCNJY-UHFFFAOYSA-N 249.329 2.940 30 20 BFED C=CCN(C)C(=O)CCSc1ccccc1 161887429 YARNKZILBOVONW-UHFFFAOYSA-N 235.352 2.813 30 20 BFED C=CCN(CC=C)Cc1ccc(C(=O)O)c(C)c1 168686264 LUYAOTKNIRDVCB-UHFFFAOYSA-N 245.322 2.867 30 20 BFED CC(C)(C#N)CCOc1ccc(F)nc1 169205848 AWFWZFCGDVCPNG-UHFFFAOYSA-N 208.236 2.539 30 20 BFED CC(C)NC1CCN(c2ccc(C#N)cc2)CC1 171216489 QLJNKKDWEJFPSF-UHFFFAOYSA-N 243.354 2.525 30 20 BFED N#Cc1c(Cl)nsc1NCc1ccoc1 171863530 CLBAMGURDNGOFF-UHFFFAOYSA-N 239.687 2.873 30 20 BFED Oc1ccccc1/C=N/[C@@H]1CC=CCC1 172402041 SARTUEBBGDHNMX-HLVNSREUSA-N 201.269 2.920 30 20 BFED C=CCCOC(=O)Cc1ccc(CC)cc1 175479846 COIORJYDLXQLSM-UHFFFAOYSA-N 218.296 2.911 30 20 BFED C#CCCCNC/C=C/c1ccc(F)cc1 178748580 AUZVKOQLJXZBHO-AATRIKPKSA-N 217.287 2.842 30 20 BFED C[C@@H](C#N)Sc1ccc([N+](=O)[O-])cc1F 185157435 CMLLWLMWBTZQJJ-LURJTMIESA-N 226.232 2.738 30 20 BFED CC(C)[C@](C)(C#N)NC(=O)[C@@H]1C[C@]1(C)C(C)C 185802536 XMNWMKHIMHGLOU-YUTCNCBUSA-N 236.359 2.723 30 20 BFED C=CC[C@H](C)[C@@H](C)N[C@@H](CCO)c1ccco1 186539123 HKXPZQSTPJIGKS-XQQFMLRXSA-N 237.343 2.893 30 20 BFED C=CCCC[C@@H](C)NC(=O)c1c[nH]nc1C1CC1 190991473 JUODTMYBQOMSTA-SNVBAGLBSA-N 247.342 2.762 30 20 BFED C=CCC1(C(=O)NOCc2ccccc2)CCC1 191241927 XCYQBHAGBKCVKE-UHFFFAOYSA-N 245.322 2.981 30 20 BFED Cc1nc(CO/N=C(\N)CCC(C)C)oc1C 195478221 NDNLGHGWAWDVPW-UHFFFAOYSA-N 239.319 2.516 30 20 BFED CC(C)(C)[S@](=O)/N=C/c1ncccc1Cl 224193648 BTUUNHWXZRCLLJ-COSNYCCFSA-N 244.747 2.616 30 20 BFED CCCN(CC)Cc1ccc(C#N)c(OC)c1 233017980 WBNOQEWJOHVMMD-UHFFFAOYSA-N 232.327 2.799 30 20 BFED C=C[C@](C)(CC)C(=O)NC1C[C@H](C)O[C@@H](C)C1 248924237 LIPANNDBXLSCCV-COPLHBTASA-N 239.359 2.661 30 20 BFED N#Cc1ccc(NC(=O)/C=C\c2ccccc2)nc1 255731912 AAPDUCWVYOJKON-CLFYSBASSA-N 249.273 2.605 30 20 BFED C=CCCC(=O)Nc1cc(C(=O)O)c(C)cc1C 262513845 MOLSKZYFVHWLQF-UHFFFAOYSA-N 247.294 2.906 30 20 BFED C=CCCC(=O)N(C)C1Cc2ccccc2C1 263989310 NGMGKKIJLNVOLK-UHFFFAOYSA-N 229.323 2.578 30 20 BFED C[C@@H](Nc1ncc(C#N)cc1Cl)C1CC1 265168415 YAWAYZAXOIURJV-SSDOTTSWSA-N 221.691 2.817 30 20 BFED C/C=C(\C=C\C(=O)N(C)[C@H](C)CC#N)CC 268859485 VEKRMSCLRDAICX-PJVJZRJYSA-N 220.316 2.659 30 20 BFED CC(C)CONc1cccc(F)c1C#N 270981249 CIFNUTQUYOREOH-UHFFFAOYSA-N 208.236 2.697 30 20 BFED N#CCCCNc1ccncc1Br 274775167 NRDAVZVDPUEDGM-UHFFFAOYSA-N 240.104 2.560 30 20 BFED C=C(Cl)CSCCOCC(F)F 276142660 CPRYDDFSUSFSLN-UHFFFAOYSA-N 216.680 2.754 30 20 BFED CCCCN(C)C(=O)c1ccc(F)c(C#N)c1 278555403 HIAJYCSAEFYBLZ-UHFFFAOYSA-N 234.274 2.569 30 20 BFED C[C@@H]1CCCN(c2nc(Cl)c(C#N)s2)C1 278797449 XRSHCNWDHMFVQC-SSDOTTSWSA-N 241.747 2.904 30 20 BFED C[C@H](NC(=O)CC(C)(C)C#N)c1cccc(O)c1 278957964 WJBQMNKHJIFZIX-JTQLQIEISA-N 246.310 2.509 30 20 BFED C=C(C)CN(CC)C(=O)c1cncc(CC)c1 279014863 NJVCWGFPLPSDLE-UHFFFAOYSA-N 232.327 2.682 30 20 BFED CC(C)(C)[C@H]1CN(c2ccc(C#N)cc2)CCO1 279472298 NLRZIJAQHIEPRG-CQSZACIVSA-N 244.338 2.810 30 20 BFED C=CCCC(=O)Nc1cnc(C(C)C)nc1 280069481 ZXPJXECOQGYZSW-UHFFFAOYSA-N 219.288 2.505 30 20 BFED C=CCC[C@H](CC)NCC1=CCCOC1 287081910 OTONSYKHEAMSAX-ZDUSSCGKSA-N 209.333 2.668 30 20 BFED C#Cc1ccccc1CC(=O)N(C)[C@H](C)C(C)C 289635525 UNFQTWVHPNTODX-CYBMUJFWSA-N 243.350 2.713 30 20 BFED C#CCN(C)Cc1cc(C)ccc1OC(F)F 292685588 DCSBPKMZJRUSSU-UHFFFAOYSA-N 239.265 2.661 30 20 BFED N#Cc1nc(N2CCC[C@@H]2CF)ccc1Cl 292702291 GDGLXCNCKCNRHT-MRVPVSSYSA-N 239.681 2.545 30 20 BFED CC#CCN(C)C(=O)c1cc(Cl)ccc1F 294607963 QKILFOJOSWVITE-UHFFFAOYSA-N 239.677 2.574 30 20 BFED C[C@@H](CCCCO)Nc1ccc(F)cc1C#N 296302723 MUSRWTCSCQXYRA-JTQLQIEISA-N 236.290 2.660 30 20 BFED CC[C@@H](c1ccccc1)N(CC)CC#N 299393715 KHIYWUIWLYKDCW-ZDUSSCGKSA-N 202.301 2.983 30 20 BFED Cc1cccc2c1CCN2c1cccc(C#N)n1 301812274 BSQRTNBRQPMRMM-UHFFFAOYSA-N 235.290 2.956 30 20 BFED C=C(C)CN(C)c1cccc(C)c1[N+](=O)[O-] 302496605 MOUNUYYPHXLANF-UHFFFAOYSA-N 220.272 2.916 30 20 BFED Cc1cc(NCc2ccc(C#N)cc2)cc(C#N)n1 308274663 DEILMDKYVHJWGC-UHFFFAOYSA-N 248.289 2.745 30 20 BFED C=C[C@H](C)N[C@@H]1C[C@@H](OC(C)C)C1(C)C 308842669 KQTKFBHQAJLACN-QJPTWQEYSA-N 211.349 2.743 30 20 BFED C=CCCCCN[C@H](C)C1CCOCC1 309105591 HSJOTDBCNUGDRP-GFCCVEGCSA-N 211.349 2.747 30 20 BFED N#Cc1c(F)cc([C@H](N)CC2CC2)cc1F 309245161 NIFBAZLEHWUGIH-GFCCVEGCSA-N 222.238 2.636 30 20 BFED C=CCC[C@H](CC)NCC1([S@@](C)=O)CCC1 309723700 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242.315 2.878 30 20 BFED C[C@@H](C#N)CNC(=O)C1(C2CCCCC2)CC1 906637656 QCVZRJHBHJKWGN-NSHDSACASA-N 234.343 2.623 30 20 BFED C=CCCCNC(=O)/C(F)=C(/C)C1CC1 907853175 RBSOLUXUIMIQJI-PKNBQFBNSA-N 211.280 2.722 30 20 BFED C[C@@H]1CCN(C(=O)c2ccsc2C#N)[C@H](C)C1 911300317 KMCYXJTXYROCOK-NXEZZACHSA-N 248.351 2.880 30 20 BFED CCCCCCNC(=O)N1CCC[C@H](C#N)C1 913839580 YHAFRAMVEWHIAJ-GFCCVEGCSA-N 237.347 2.512 30 20 BFED c1ccc(NN=C2CCc3ccccc32)nc1 916276212 PUFXRQGRJNBXDP-UHFFFAOYSA-N 223.279 2.844 30 20 BFED C=C(C)CN(C)Cc1coc(C(C)(C)C)n1 930245570 WCSVASSNYUJOGL-UHFFFAOYSA-N 222.332 2.980 30 20 BFED CCN(CCC#N)C(=O)[C@H](C)c1ccccc1C 930464717 XWXQUPVOXQBAPX-CYBMUJFWSA-N 244.338 2.861 30 20 BFED C[C@@H](CCC#N)N[C@@H](c1ccccn1)C1CC1 932380253 BHSVNEMCNQERLJ-SMDDNHRTSA-N 229.327 2.815 30 20 BFED C#Cc1ccc(NC(=O)N2C[C@H](C)[C@@H](C)C2)cc1 934934794 ILHZQDVQQLVIKA-RYUDHWBXSA-N 242.322 2.788 30 20 BFED C#CCCCc1nnc(C2CCCC2)o1 1118427618 LWUBEGDAZBJMRQ-UHFFFAOYSA-N 204.273 2.683 30 20 BFED C=CCC[C@H]1CCCN1C(=O)c1ccc(OC)o1 1120733248 JKOVFXXEHGDAKA-NSHDSACASA-N 249.310 2.859 30 20 BFED N#C[C@@H](C(=O)C1CCCC1)c1cccc(F)n1 1122712994 YALCJHKAZMDKHU-SNVBAGLBSA-N 232.258 2.587 30 20 BFED C=C(C)CCC(=O)OCc1c[nH]c2ncccc12 1123311502 JZFXRLPWRNYWSI-UHFFFAOYSA-N 244.294 2.962 30 20 BFED Cc1ccc(N(CCC#N)C(=O)[C@H]2C[C@H]2F)cc1 1123534062 ICINRZSBDIOOPN-QWHCGFSZSA-N 246.285 2.600 30 20 BFED Cc1ccncc1NC(=O)c1csc(C#N)c1 1136680099 SLSHYKDRVXQCKK-UHFFFAOYSA-N 243.291 2.576 30 20 BFED C#C[C@H](C)NC(=O)N[C@@H](CC)c1ccc(F)cc1 1325761900 LKLDZBCQDKJWSE-GWCFXTLKSA-N 248.301 2.598 30 20 BFED C#Cc1ccc(NC(=O)[C@@](C)(C#N)CC)cc1 1335377225 WYOBCTKQQFCIIY-CQSZACIVSA-N 226.279 2.546 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@H]1CCOC(C)(C)C1 1335945141 IXUPBVOCFCVKRW-NWDGAFQWSA-N 239.359 2.663 30 20 BFED C=C(C)CCC(=O)N1CCCC[C@H]1C(=O)CC 1338927759 WSMQKUWMMREIOS-LBPRGKRZSA-N 237.343 2.703 30 20 BFED C#CC[C@H](C)OC(=O)/C=C\C1CCCC1 1342633551 SBAHWUYZTSMWBZ-JUDLJHIGSA-N 206.285 2.688 30 20 BFED 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2.559 30 20 BFED C=C1CCN(C(=O)c2ccc(CF)cc2)CC1 826551181 YWSVDZFWONIDII-UHFFFAOYSA-N 233.286 2.948 30 20 BFED C#CC1CCN(c2ccc([N+](=O)[O-])s2)CC1 826721633 ZZAUXFPGQVGLEH-UHFFFAOYSA-N 236.296 2.506 30 20 BFED C#CCCN[C@@H]1C[C@@H](OCCCC)C1(C)C 829677943 SHJUGEHSWBUUGG-CHWSQXEVSA-N 223.360 2.583 30 20 BFED C[C@@H]1O[C@H](C)CC1=NNc1ccc2[nH]ncc2c1 834973912 PRHVRRQWTBQYKX-BDAKNGLRSA-N 244.298 2.528 30 20 BFED CC(C)CC[C@H]1CCC(=NN[C@H]2CCOC2)C1 834977481 MGELIUJPHSDIMW-JSGCOSHPSA-N 238.375 2.957 30 20 BFED CC(C)CC[C@@H]1CCC(=NNc2nc[nH]n2)C1 834980192 UANDUXGFYMSREY-SNVBAGLBSA-N 235.335 2.809 30 20 BFED C[C@@H]1CCC[C@@H](C=NNc2ccncn2)C1 835000730 HISZPNFIVSNRPA-GHMZBOCLSA-N 218.304 2.701 30 20 BFED C#CCCOc1ccc(C=NOC(C)C)cc1 835004662 USZPSLGKRYBDSF-UHFFFAOYSA-N 231.295 2.848 30 20 BFED C=CC(C)(C)C(=O)OCCc1ccccc1 835079657 GAOWZBWNCKNZBZ-UHFFFAOYSA-N 218.296 2.985 30 20 BFED Cc1ccc(C(=O)OC[C@@H](C)C#N)c(C(C)C)n1 835238401 LWURNHAIRUIMSP-JTQLQIEISA-N 246.310 2.830 30 20 BFED 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C[C@@H](CCC#N)CNCC1Cc2ccccc2C1 877035485 HXJNWIUKCGREAY-ZDUSSCGKSA-N 242.366 2.931 30 20 BFED C=C[C@@H]1OCCC[C@H]1NCc1ccc(C)cc1O 877569723 YOUNTNABXYLJHL-HIFRSBDPSA-N 247.338 2.524 30 20 BFED N#Cc1cc(Cl)ccc1CN1C[C@H]2C=C[C@H]1C2 880452084 MOYPESMOQJDSIP-HZMBPMFUSA-N 244.725 2.972 30 20 BFED CCC1CCN(c2ccc(C)nc2C#N)CC1 881830441 CLCWQZCMLVFTKC-UHFFFAOYSA-N 229.327 2.888 30 20 BFED N#C[C@H](NC(=O)CC1CCCC1)C1CCCC1 893702843 ARXNDJRACDPZSI-ZDUSSCGKSA-N 234.343 2.765 30 20 BFED C=C1CC(c2noc(Cc3c(C)noc3C)n2)C1 896890697 URQHLECLJJRGSC-UHFFFAOYSA-N 245.282 2.699 30 20 BFED CC[C@@H](N[C@H](C)COC)c1cccc(C#N)c1 902721444 XATDODHFHBVEEH-BXUZGUMPSA-N 232.327 2.634 30 20 BFED C=C[C@H](CC)CC(=O)Nc1cc(CC)nc(C)n1 903623709 ILGXSAMYVIKSPV-LLVKDONJSA-N 247.342 2.888 30 20 BFED C=CC(C)(C)CC(=O)Nc1nccnc1C1CC1 906425063 UCOYWIGSGQHHHI-UHFFFAOYSA-N 245.326 2.895 30 20 BFED C#CCCCCc1nnc([C@@H]2CCCCO2)o1 1118141688 CSKBYAIJUDYDOR-NSHDSACASA-N 234.299 2.657 30 20 BFED C=C(CC(C)C)C(=O)N1CC[C@@H](C)[C@H]1C 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2.574 30 20 BFED C=CCOC(=O)c1ccc(OC(F)F)cc1 98070001 XUJJRDSIOCBHLA-UHFFFAOYSA-N 228.194 2.631 30 20 BFED C[C@@H](C#N)OC(=O)c1ccc2c(c1)CCCC2 104937457 YPKNHRWVOCBJMA-JTQLQIEISA-N 229.279 2.634 30 20 BFED C#CCN(CC)C(=O)c1cc2ccccc2o1 108912281 ZMJKMLLMOHACKC-UHFFFAOYSA-N 227.263 2.528 30 20 BFED CC#CCNC(=O)Cc1ccc(CCCC)cc1 121473690 ZYOMYTRPFMDFJQ-UHFFFAOYSA-N 243.350 2.711 30 20 BFED N#CCCCN1CC[C@H](Cc2ccccc2)C1 124248389 LYIPUJLOEKCJEL-OAHLLOKOSA-N 228.339 2.855 30 20 BFED C=CCCOc1ccc(C)c([N+](=O)[O-])c1 131617442 WLALZPVQVGPNJZ-UHFFFAOYSA-N 207.229 2.858 30 20 BFED C=CCC[C@@H](C)Nc1cccc(CO)c1 131956838 HGLYFUFGRIGCCF-LLVKDONJSA-N 205.301 2.946 30 20 BFED C=C[C@@H](C)NC(=O)c1cc(C(CC)CC)no1 154261197 RTLMKMCGKVLQIX-SECBINFHSA-N 236.315 2.883 30 20 BFED C[C@@H]1CCN(Cc2cc(F)ccc2C#N)[C@@H]1C 160955211 QSDVCVSNSDGRIP-GHMZBOCLSA-N 232.302 2.928 30 20 BFED CC/N=C(/NCC1(C2CC2)CCC1)NC(C)C 161049570 CHQOCXRMMRMOPT-UHFFFAOYSA-N 237.391 2.530 30 20 BFED C#C[C@H](C)NC1CCC(C(F)(F)F)CC1 166426153 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C#CCC(C)(C)C(=O)N[C@H]1CCCC[C@H]1C 184898155 ZMSKNRXKIBGZOX-NEPJUHHUSA-N 221.344 2.731 30 20 BFED C=C(C)C[C@H](C)C(=O)N[C@@H]1COc2ccccc21 185337308 IVCPYODVXVSMFY-WCQYABFASA-N 245.322 2.839 30 20 BFED CC#CCCCC(=O)N(C)c1nc(C)cs1 185387747 WMLLSBRPXKUSAZ-UHFFFAOYSA-N 236.340 2.608 30 20 BFED C=CCN(C)C(=O)c1coc(-c2ccccc2)n1 186125172 PCLLUHNCCFOSRR-UHFFFAOYSA-N 242.278 2.600 30 20 BFED C=CCC1(C(=O)N2C[C@@H]3CCC[C@H]3C2)CCC1 189252659 XIQPUNLXPQQLHG-STQMWFEESA-N 233.355 2.991 30 20 BFED C=CCC1(C(=O)N(C)Cc2ccco2)CCC1 190605809 FUHDIGHHDGWNNS-UHFFFAOYSA-N 233.311 2.984 30 20 BFED CC1=CCC[C@H](C)[C@@H]1CNC[C@@H](C)C#N 191114576 HBRQSHLWWCKZKK-WCFLWFBJSA-N 206.333 2.728 30 20 BFED C=C(Cl)COc1ccc(C#N)c(OC)c1 195093143 AMANPOCKBQZSOG-UHFFFAOYSA-N 223.659 2.698 30 20 BFED CCCN(c1cc(C#N)cc(Cl)n1)C1CC1 215395608 ULNGVNDBQIOQML-UHFFFAOYSA-N 235.718 2.985 30 20 BFED C#CCCCNC1C2CC3CC(C2)CC1C3 224301872 BRPGCNOYWCIBRW-UHFFFAOYSA-N 217.356 2.814 30 20 BFED C#CCCCCNc1nc(CC)cs1 229738813 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C#CCC1(C(=O)Nc2ccccn2)CCCCC1 276368153 ZXOFHJFOVPNEKW-UHFFFAOYSA-N 242.322 2.994 30 20 BFED CC(C)=CCCNc1nccc(C#N)c1[N+](=O)[O-] 276856410 YLRLDCVKMJLFEH-UHFFFAOYSA-N 246.270 2.630 30 20 BFED C[C@H](CC#N)NC(=O)c1cccc(C2CCC2)c1 281486815 GCWSCPPPDZLNJF-LLVKDONJSA-N 242.322 2.986 30 20 BFED CC#CC(=O)N[C@H]1CC(C)(C)c2ccccc21 283382894 ZZWYXKQLZUDGKW-ZDUSSCGKSA-N 227.307 2.549 30 20 BFED C#CC[C@H](N[C@H](C)c1cn[nH]c1)c1ccccc1 285374746 WCUZFOYVRBCNKK-DOMZBBRYSA-N 239.322 2.825 30 20 BFED CC[C@H](NCCCC#N)c1ccc(F)cc1O 285494338 AMQSQFQLHLZFQC-LBPRGKRZSA-N 236.290 2.876 30 20 BFED Cc1noc(C)c1C(C)(C)NCCCCC#N 285501477 CSBWGMRJCUMWFQ-UHFFFAOYSA-N 235.331 2.810 30 20 BFED Cc1ccc2[nH]c([C@H]3CCCN3CC#N)nc2c1 289444447 WVAVAVOIBIBJBT-CYBMUJFWSA-N 240.310 2.532 30 20 BFED CO[C@]1(C)C[C@@H](Nc2cccnc2C#N)C1(C)C 290522373 COAHINRKQPMBQF-TZMCWYRMSA-N 245.326 2.569 30 20 BFED C=C(Cl)CNC(=O)[C@@H]1CCC[C@@H]1CC 295925925 SBOYBOWQKIKRBU-VHSXEESVSA-N 215.724 2.681 30 20 BFED C=CC[C@H](C(=O)N1CCCOC1)c1ccccc1 297136065 QHMQKHJMXFNYIA-AWEZNQCLSA-N 245.322 2.553 30 20 BFED CCn1ccc(NCCCC(C)(C)C#N)n1 300843977 FVANPBSSAHBRHJ-UHFFFAOYSA-N 220.320 2.645 30 20 BFED C[C@@H](C[C@H]1CCCO1)Nc1ccc(C#N)cc1 301202921 XITWLEMNLNYQFO-SMDDNHRTSA-N 230.311 2.928 30 20 BFED N#Cc1ccc(N2CC[C@H]3OCCC[C@H]3C2)cc1 301721508 MXSPXKLLPRBNES-DZGCQCFKSA-N 242.322 2.564 30 20 BFED CSCCNc1ccc2cc(C#N)ccc2n1 301970203 CZHLOBMHXAULKH-UHFFFAOYSA-N 243.335 2.881 30 20 BFED C#C[C@@H](CC)Nc1c(F)cccc1[N+](=O)[O-] 304626511 YRRRDRBEFFYEJD-QMMMGPOBSA-N 222.219 2.558 30 20 BFED Cc1cc(N2CCCC[C@@H]2C)cc(C#N)n1 308273073 SLKJMMADLTYEHG-NSHDSACASA-N 215.300 2.641 30 20 BFED C=CCSCCN[C@@H]1CCC[C@H]2C[C@H]21 308503874 XXEJMQIUBWHSFH-QJPTWQEYSA-N 211.374 2.684 30 20 BFED N#C[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@H]1C1CC1 309543297 YWPHSSASWYBQOV-XUXIUFHCSA-N 218.344 2.847 30 20 BFED C=C[C@@H](COC)NCc1ccc(Cl)cc1F 309938272 ASNXBHQSAGFNDD-NSHDSACASA-N 243.709 2.770 30 20 BFED CC1CCC(N(C)C(=O)[C@@]2(C#N)C[C@H]2C)CC1 334518263 GJIASKZWDRTISV-YFTKGUKSSA-N 234.343 2.573 30 20 BFED C[C@H]1C[C@]1(C#N)C(=O)N(C)C1CCCCCC1 334542748 YVXFZGQLALWDHH-SMDDNHRTSA-N 234.343 2.717 30 20 BFED C=CC(C)(C)C(=O)N[C@@H]1CC(=O)c2ccccc21 334911143 HHNDAHFJNDFOJI-GFCCVEGCSA-N 243.306 2.643 30 20 BFED C=C1CCN(C(=O)c2cnc(C3CC3)s2)CC1 335903022 YFFYQVJTLCOAEL-UHFFFAOYSA-N 248.351 2.813 30 20 BFED C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(Cl)cc1 336234150 DDMJLSKXXGYRMB-PRHODGIISA-N 234.686 2.828 30 20 BFED N#Cc1ccc(CN2CCC[C@H]2CF)cc1F 336511694 WUCMRMVBQBJIBP-LBPRGKRZSA-N 236.265 2.631 30 20 BFED Cc1nnc(Sc2ccc(C#N)c(C)n2)s1 336675112 VBBBQTQALXZPEV-UHFFFAOYSA-N 248.336 2.573 30 20 BFED CC(C)(C#N)CCCCN1CCC[C@@H]1CCO 336707203 NGMOSTWDIPUVOG-CYBMUJFWSA-N 238.375 2.553 30 20 BFED C[C@H]1CCCN1CCCC1(C#N)CCOCC1 337192408 TYCHTIKUEYXZSR-ZDUSSCGKSA-N 236.359 2.571 30 20 BFED C=C(C)C[C@H](C)c1nc([C@@H]2CCOC2)no1 342396622 BORCUHOJHJJQOA-VHSXEESVSA-N 222.288 2.643 30 20 BFED C=C(C)CN(C)c1c(F)cccc1[N+](=O)[O-] 342938631 NAYHOJVJOLOZEV-UHFFFAOYSA-N 224.235 2.746 30 20 BFED CC#CCNc1cnn(C)c1-c1ccccc1 345329077 RPDJNRJGSIIQOF-UHFFFAOYSA-N 225.295 2.522 30 20 BFED C=CCCN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 352439718 KWWMACPZTAXQER-STQMWFEESA-N 221.344 2.596 30 20 BFED C=CC[C@H](C)NC(=O)[C@@H]1CC12CCCC2 354454879 GGZLVLACAKNMEC-QWRGUYRKSA-N 207.317 2.648 30 20 BFED N#CCCCCN(CC1CC1)C1CCC1 361588208 QTMLQOIPNJDXIR-UHFFFAOYSA-N 206.333 2.945 30 20 BFED C=C[C@@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 362630560 JCUUGHQLLOEJDH-SECBINFHSA-N 249.270 2.599 30 20 BFED CCCC(C#N)(CCC)NC(=O)CC(C)(C)C#N 362747769 MGZLYTJEZVEJBZ-UHFFFAOYSA-N 249.358 2.905 30 20 BFED CCC[C@H](C#N)NC(=O)[C@H]1CCC[C@@H](C)C1 383187522 OGOSUJXSTODOLL-GRYCIOLGSA-N 222.332 2.621 30 20 BFED C#C[C@](C)(CC)NCc1cccc(COC)c1 384189273 UQJBXMAIANKRGY-OAHLLOKOSA-N 231.339 2.725 30 20 BFED C#C[C@](C)(CC)NC(=O)c1cc(C)ccc1F 384193135 ICGXYLUILLYOJQ-CQSZACIVSA-N 233.286 2.666 30 20 BFED C#CCCCNC1(c2ccc(F)cc2)CC1 390815826 KGMQKYYOTLXQPQ-UHFFFAOYSA-N 217.287 2.818 30 20 BFED Cl/C=C\CON=C[C@@H]1CCCSC1 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30 20 BFED CC1(C)C[C@H](/N=C/c2ccccc2O)CCO1 124154147 UKKXGLXWMVYDQY-JXCQQFQQSA-N 233.311 2.769 30 20 BFED C=CCC[C@@H](C)N[C@H](C)CN1CCCCC1 126754190 LBKFXHQIGDVAIB-ZIAGYGMSSA-N 224.392 2.805 30 20 BFED C[C@H]1CCN(C(=O)c2sccc2C#N)C[C@H]1C 132264531 ZRPZKYIKHLAKMX-VHSXEESVSA-N 248.351 2.738 30 20 BFED C=C[C@@H](C)NC(=O)/C=C(/C)c1ccc(F)cc1 154228696 XORIMUXYEJAQLI-DWOQACPDSA-N 233.286 2.920 30 20 BFED C#CCCCCNC(=O)C[C@H](C)CC(C)C 156636685 UKKLOAAOXDFWTC-CYBMUJFWSA-N 223.360 2.978 30 20 BFED C#CCN(CC1CC1)C(=O)C1CCCCCC1 156780791 VNACFFBZLADRMD-UHFFFAOYSA-N 233.355 2.829 30 20 BFED C=CCN(CC=C)Cc1c[nH]nc1C(C)(C)C 158137182 YDARHEAXJZFZCX-UHFFFAOYSA-N 233.359 2.881 30 20 BFED C#CCCCN1CCN(c2cccc(C)c2)CC1 169043458 PSEAUCKLUAIGFS-UHFFFAOYSA-N 242.366 2.530 30 20 BFED C=C(C)CN1CCCN(C)c2ccccc21 172548447 YKSBVHSBBMDIJQ-UHFFFAOYSA-N 216.328 2.909 30 20 BFED C[C@@H]1C[C@@H]1C(=O)OCC#Cc1ccc(Cl)cc1 177891714 WEXOQYOAZXKQJH-MFKMUULPSA-N 248.709 2.891 30 20 BFED C=C(C)CN(C)C(=O)COc1cc(C)ccc1C 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225.295 2.845 30 20 BFED C=CCCCCCN(C)C[C@H]1CCC[C@H]1O 248736575 OIWXLIHPIPKSLG-ZIAGYGMSSA-N 225.376 2.826 30 20 BFED C=C(C)CSCc1nnc(C)s1 271366819 LSMQOWACUCIWSK-UHFFFAOYSA-N 200.332 2.656 30 20 BFED C=C1CCN(Cc2cccc(C)c2O)CC1 271712041 HHOXLMPPULEBBY-UHFFFAOYSA-N 217.312 2.853 30 20 BFED N#Cc1ccc(CS[C@H]2CCCOC2)cc1 272527873 YPVXFLXQVNUJCX-ZDUSSCGKSA-N 233.336 2.970 30 20 BFED C=CCCCCNCc1nc(C)cs1 274584482 LUHFGQVKKIUQLW-UHFFFAOYSA-N 210.346 2.897 30 20 BFED C=CCCN(C)C(=O)C[C@H]1C=CCCC1 276374652 KQQIDFFBCOAQPX-LBPRGKRZSA-N 207.317 2.767 30 20 BFED CC#CC(=O)N[C@H](CC(C)C)c1ccccc1 277544182 VOOKSHZWHSRSSP-CQSZACIVSA-N 229.323 2.913 30 20 BFED CC1(C)CCCN(C/C=C/Cl)[C@H]1C#N 277741193 KUVJFOMWFJYFPW-RWCYGVJQSA-N 212.724 2.753 30 20 BFED Cc1c(Cl)cccc1C(=O)N(CC#N)C1CC1 278179976 CFNGAQQQJMVKFB-UHFFFAOYSA-N 248.713 2.777 30 20 BFED CC1=CCCN(Cc2cc(C#N)ccc2F)C1 280785187 IRWRZBRKXITYAI-UHFFFAOYSA-N 230.286 2.849 30 20 BFED CCCCCCCC(=O)N(C)c1ncccn1 281232989 SFVNQDWHIMJELW-UHFFFAOYSA-N 235.331 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20 BFED C=CCC[C@H](CC)N[C@@H]1CCN(C)[C@H](C)C1 310002310 FHMSEMZZUIKXPX-HZSPNIEDSA-N 224.392 2.804 30 20 BFED C=CCC[C@H](CO)N[C@H](C)CCc1ccco1 320929221 DSDIBRHNYUYXCA-CHWSQXEVSA-N 237.343 2.517 30 20 BFED O/C(CCC1CC1)=N/Cc1noc(C2CC2)n1 328938344 GRGCSRMUIPEOSR-UHFFFAOYSA-N 235.287 2.594 30 20 BFED O=C1CC[C@H](/C(O)=N/C2CCCC2)n2cccc21 329885109 UCDVSTBJHBUCNE-GFCCVEGCSA-N 246.310 2.905 30 20 BFED CC[C@H](C)[C@](C)(O)C/N=C(/O)c1coc(C)c1 331278388 JVJCVFLGPQNUDC-TVQRCGJNSA-N 239.315 2.690 30 20 BFED CCc1cc(C(=O)N(CC#N)C2CC2)oc1CC 331469660 JQYWFLYMDNIYQR-UHFFFAOYSA-N 246.310 2.533 30 20 BFED Cc1cccc(CN(C)[C@@H]2CC[C@H](C#N)C2)n1 334320580 VVQMSEHFTIYOOS-GXTWGEPZSA-N 229.327 2.514 30 20 BFED CC1(C#N)CCN(C(=O)N[C@@H]2CCC2(C)C)CC1 334347695 RSSJRVLWKHLMAT-LLVKDONJSA-N 249.358 2.510 30 20 BFED C[C@@H]1CCC[C@H](CC(=O)NC2(C#N)CCC2)C1 334425829 XVIIHXWJUDAFPG-NEPJUHHUSA-N 234.343 2.765 30 20 BFED CC(C)[C@H](C)N(C)C(=O)[C@]1(C#N)CC12CCCC2 334559178 UKINHRXGMQUZPR-SWLSCSKDSA-N 248.370 2.963 30 20 BFED C=CCC1(C(=O)N2[C@H]3CC[C@H]2COC3)CCCC1 335227217 FRLZBWHAXHWWSJ-STQMWFEESA-N 249.354 2.513 30 20 BFED C[C@H](C#N)C(=O)NC1(c2cccc(Cl)c2)CC1 336017341 OMSQHCYXZVGLMV-SECBINFHSA-N 248.713 2.605 30 20 BFED C[C@H]1CCN(C(=O)CC#N)CC12CCCCC2 336078479 XJEISKJZQCNPIX-LBPRGKRZSA-N 234.343 2.719 30 20 BFED CC(C)[C@@H](C)C(=O)N1CCCC(C)(C)[C@H]1C#N 336143291 XEABEWBRDZIFJV-VXGBXAGGSA-N 236.359 2.819 30 20 BFED CC1(C)CCCCN(C(=O)C(C)(C)C#N)C1 336543575 UNHWMKAJOUJPCE-UHFFFAOYSA-N 222.332 2.575 30 20 BFED C=C[C@@H](C)NC(=O)Nc1cccc(C#N)c1C 336581203 BAJCAMUVWPHJQO-SECBINFHSA-N 229.283 2.563 30 20 BFED CCN(Cc1nc(C)sc1C)C[C@H](C)C#N 336660743 BJFNHEDQPIATFX-SECBINFHSA-N 237.372 2.742 30 20 BFED C=CCC[C@H](O)CN[C@@H]1CCC[C@H]1SCC 336727355 CPMVIHUBGSYTGI-YNEHKIRRSA-N 243.416 2.577 30 20 BFED C=CCN(CCCC1(C#N)CCOCC1)C1CC1 337175579 ICCBDNALADFAPS-UHFFFAOYSA-N 248.370 2.737 30 20 BFED C=CCNC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 337486559 ZUPIVBCFILUJGC-UHIISALHSA-N 236.359 2.686 30 20 BFED C=CCCN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 338562085 ARZLVZZTTCPESX-DZGCQCFKSA-N 234.387 2.511 30 20 BFED CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](C)C#N 340533392 SMOBVFAOPHVVNB-RYUDHWBXSA-N 224.348 2.677 30 20 BFED CO[C@@H]1CCC[C@@H]1CNCC(C)(C)CCC#N 341275455 DHOASXOYZXFCJJ-CHWSQXEVSA-N 238.375 2.721 30 20 BFED C=CC[C@H](C)NC(=O)[C@H]1Cc2ccccc2S1 342364095 WCFOVLYOWKCWFO-GXFFZTMASA-N 247.363 2.784 30 20 BFED C=CCN=c1cc(C)n(-c2cccc(Cl)c2)[nH]1 346532496 XAEMKOYHOWKQEI-UHFFFAOYSA-N 247.729 2.854 30 20 BFED C=CCCC(=O)N1CCN(CC)c2ccccc21 347068354 FFJVZKNJGMPXSQ-UHFFFAOYSA-N 244.338 2.826 30 20 BFED C=CCOCCCN1CC[C@H](C)[C@H]1CC 348055177 OXSVQTIYWIOIQI-QWHCGFSZSA-N 211.349 2.700 30 20 BFED C=CCCCCNCc1cnccc1N(C)C 349564164 KEYMRJUVPPXGLK-UHFFFAOYSA-N 233.359 2.594 30 20 BFED C=CCC(CC=C)C(=O)NC(C)(C)CCOC 352586968 XTXIFVHLLFBEJB-UHFFFAOYSA-N 239.359 2.686 30 20 BFED CO[C@@H](C)CCN[C@@H]1CCc2ccc(C#N)cc21 353427033 ODIQQYPWOUJOQQ-XHDPSFHLSA-N 244.338 2.560 30 20 BFED C=CCCCC(=O)N[C@H]1CCO[C@H](C(C)C)C1 357498672 VHLVBHQMBMAPEY-STQMWFEESA-N 239.359 2.663 30 20 BFED CCC(CC)[C@@H](C)C(=O)N[C@@H](CC)CC#N 358079259 ZALBGZPFFGTYPF-PWSUYJOCSA-N 224.348 2.867 30 20 BFED C=C[C@H](C)NC(=O)c1ccc(COC(C)C)cc1 362588843 REWQCMASUYQLFM-LBPRGKRZSA-N 247.338 2.916 30 20 BFED C=CCCC(=O)N1CC[C@H](Oc2ccccc2)C1 363411452 OPESSIFALWISDY-AWEZNQCLSA-N 245.322 2.633 30 20 BFED CC#CCCCC(=O)N1CCC[C@@H]1C1CC1 364321617 ZBULEYFEMWOJGV-CYBMUJFWSA-N 219.328 2.581 30 20 BFED C#CCC(C)(C)C(=O)N1CC(C)(C)[C@@H]1C1CC1 368215195 OENAOJLDVNHDTN-LBPRGKRZSA-N 233.355 2.683 30 20 BFED N#Cc1ccc(C(=O)NC23CCC(CC2)C3)cc1 371753753 PYQRGIVHNUFOGJ-UHFFFAOYSA-N 240.306 2.621 30 20 BFED C=CCCCCCCNC1CCN(C)CC1 380578919 PNEMAEWBGSSOGX-UHFFFAOYSA-N 224.392 2.807 30 20 BFED C#C[C@H](C)NC/C=C\c1ccc(F)cc1F 381407562 RWVHKTCFGVAVQW-LWTINBJPSA-N 221.250 2.589 30 20 BFED C=CC[C@H](CO)CN[C@@H](CC)[C@@H](C)CCC 381545234 JYOLSUAWEZKOKR-IHRRRGAJSA-N 227.392 2.975 30 20 BFED CC/C=C\CNCc1cc(C#N)cs1 384707305 CMXRXIQAGHVBKI-ARJAWSKDSA-N 206.314 2.676 30 20 BFED C#C[C@H](NCCC(C)(C)SC)C(C)C 385325081 SJDPZFKJVBCIFA-NSHDSACASA-N 213.390 2.766 30 20 BFED C=CC[C@@H](CC)N=c1ccc(Cl)c(C#N)[nH]1 390531541 ITDCPVOWKMDWLH-SECBINFHSA-N 235.718 2.795 30 20 BFED C=CC[C@@H](CC)NCc1cc(C)c(C(=O)O)o1 393796793 KRBFFVUVBJTORL-SNVBAGLBSA-N 237.299 2.731 30 20 BFED CC(C)(C#N)CN[C@@H](C1CCC1)C1CC1 405184491 HKQOGLWNYNZZFN-LBPRGKRZSA-N 206.333 2.704 30 20 BFED CC1(Nc2ncc(C#N)cc2F)CCCC1 413084454 NLNOHALPQBGBIA-UHFFFAOYSA-N 219.263 2.837 30 20 BFED C=CC[C@H](C)[C@@H](C)NC[C@H]1CCCC[C@@H]1O 449578351 KYARQTIJSRXKCE-DGAVXFQQSA-N 225.376 2.728 30 20 BFED CN(CC(C)(C)C)c1cccc(C#N)c1[N+](=O)[O-] 450299999 CDWHVCFAIKPRAG-UHFFFAOYSA-N 247.298 2.949 30 20 BFED C=CC(C)(C)CNC(=O)Nc1cc(C)ccn1 455094615 OVALZZRUJFHAHA-UHFFFAOYSA-N 233.315 2.724 30 20 BFED C=CCCN(C)C(=O)c1cncc(Cl)c1C 457738724 RJIPGKFNKRJSNP-UHFFFAOYSA-N 238.718 2.692 30 20 BFED Cc1ccoc1CNCC(C)(C)CC#N 459727348 GFXPFNFQWKFYEH-UHFFFAOYSA-N 206.289 2.618 30 20 BFED C=CCN(CC=C)C(=O)N[C@@H](C)CCC1CC1 470328290 UUFLMLCLLPYQFD-LBPRGKRZSA-N 236.359 2.949 30 20 BFED CCN(Cc1ccc(C#N)c(C)c1)C[C@H](C)C#N 487892413 UHKMORDLDHBMNS-GFCCVEGCSA-N 241.338 2.848 30 20 BFED C=CCn1cccc1C(=O)Nc1ccc(C)cn1 488583308 YKKJQZBCRWUCMQ-UHFFFAOYSA-N 241.294 2.630 30 20 BFED C=C[C@H]1CCCCN1C(=O)CCc1ccco1 488811991 CRHMZGKPHQCTNO-LBPRGKRZSA-N 233.311 2.779 30 20 BFED C=C[C@H]1CCCCN1C(=O)CCCC#CC 488812514 DYOFLNJBDCYMOL-ZDUSSCGKSA-N 219.328 2.747 30 20 BFED C#CCN(C)C(=O)[C@@H](CC(C)C)c1ccccc1 491439044 HTJITOPDIQZXFN-HNNXBMFYSA-N 243.350 2.908 30 20 BFED C#C[C@@H](C)N(C)C(=O)Nc1cc(C)ccc1C 491629076 MRQUGSXARVVIJX-GFCCVEGCSA-N 230.311 2.789 30 20 BFED CCC1CN(C(=O)Nc2scc(C)c2C#N)C1 522012129 ZGWRDLGTAZZCNQ-UHFFFAOYSA-N 249.339 2.802 30 20 BFED CC(C)N(CCC#N)C[C@H]1C[C@H]2C=C[C@H]1C2 534337997 ZSOMCZJXWNUYPX-MELADBBJSA-N 218.344 2.823 30 20 BFED C=CCCC[C@H](C)NC(=O)Cc1ccc(C)o1 537227856 ABYAXMGFRYEFPM-NSHDSACASA-N 235.327 2.992 30 20 BFED Cc1cc(C#N)ccc1OCC[C@H](C)F 552006341 YEVFRYCKDNBCHR-JTQLQIEISA-N 207.248 2.994 30 20 BFED C=CCC1(C(=O)NCCCF)CCCCC1 560171739 ZDTNWIZNDJUSGY-UHFFFAOYSA-N 227.323 2.989 30 20 BFED N#Cc1c(F)cccc1SCCn1cccn1 562474371 MHUUVCJOLKHVDQ-UHFFFAOYSA-N 247.298 2.686 30 20 BFED C=CCn1c(CC)nnc1N(C)c1ccccc1 567795796 MUUCJIVYRAASOV-UHFFFAOYSA-N 242.326 2.794 30 20 BFED CC1=C(C)C[C@@H](C(=O)NCC2(C#N)CC2)CC1 569849782 DILKODGKGMAEDW-LBPRGKRZSA-N 232.327 2.543 30 20 BFED C=CCCCCN1CCC[C@H]1c1cc[nH]n1 581351337 DBNUBOJAXFFFTD-ZDUSSCGKSA-N 219.332 2.903 30 20 BFED Cc1cccc(C)c1NC(=O)NCC1(C#N)CC1 583180730 VMSSUBZDAGQMBR-UHFFFAOYSA-N 243.310 2.729 30 20 BFED FC(F)(F)c1ccc(C#CC2CC2)nc1 585143842 PTBLFFHVCMERRM-UHFFFAOYSA-N 211.186 2.862 30 20 BFED Cc1cccc(C)c1/C=C\C(=O)c1ccnn1C 588594958 HZUPPNBIFWISIC-FPLPWBNLSA-N 240.306 2.933 30 20 BFED N#CC1CN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1 590487517 LNARKCSJCJUHRG-HZSPNIEDSA-N 246.354 2.575 30 20 BFED CCOC1CC(Oc2ccc(C#N)cc2)C1 591885898 CGTQKPPGNPKFAP-UHFFFAOYSA-N 217.268 2.505 30 20 BFED COc1cc(CN[C@@]23CCC[C@@H]2C3)ccc1C#N 594954328 YLAZEJNQWWXTCS-UKRRQHHQSA-N 242.322 2.599 30 20 BFED C[C@@H]1CC(Nc2c(C#N)cnn2C)C[C@@H](C)C1 596134548 LUVKHJFVFSKBDL-UWVGGRQHSA-N 232.331 2.528 30 20 BFED COc1cc(NCCCC#N)c([N+](=O)[O-])cc1C 596191383 QMSCVUXELTUUQU-UHFFFAOYSA-N 249.270 2.628 30 20 BFED N#Cc1cnc(N[C@]23CCC[C@@H]2C3)c(Cl)c1 596316249 HYWWUOSGAAULAK-SKDRFNHKSA-N 233.702 2.961 30 20 BFED CC(C)(F)CCNc1nc2c(cc1C#N)CCC2 596469344 XMZKKPGZIRYJMS-UHFFFAOYSA-N 247.317 2.992 30 20 BFED CCC(C#N)(CC)C(=O)NCC1=CCCC1 600111215 GVMRLEZLFRUBAU-UHFFFAOYSA-N 220.316 2.543 30 20 BFED CC(C)(C#N)CC(=O)N1CCCC(F)(F)CC1 600254209 MJWMYELJECVNIK-UHFFFAOYSA-N 244.285 2.574 30 20 BFED C[C@H](CCC#N)CNC[C@H]1C[C@H]2CC[C@H]1C2 602529196 FNSHBLXVRXOODJ-ZOBORPQBSA-N 220.360 2.952 30 20 BFED CO[C@]1(C)CCCN(CC2(CC#N)CC2)CC1 602819899 FGDRQXMKACYWBA-CYBMUJFWSA-N 236.359 2.571 30 20 BFED COCc1cc(C#N)ccc1N1CC[C@@H](C)[C@H]1C 603302826 GFEXENINSJWOSR-VXGBXAGGSA-N 244.338 2.939 30 20 BFED CCN(CC#N)Cc1ccccc1C1CC1 611264098 ROWBGKGUPZHHAD-UHFFFAOYSA-N 214.312 2.909 30 20 BFED C[C@@]1(C#N)CCCN(C[C@H]2CC=CCC2)C1 612406869 VWFGCLKZCHYLGQ-KBPBESRZSA-N 218.344 2.968 30 20 BFED C=CC[C@H]1CCCN(C(=O)CCCF)C1 617778320 CYTVVYPTBHRIPP-NSHDSACASA-N 213.296 2.551 30 20 BFED C=CCC1(NC(=O)C2CC=CC2)CCCC1 619108396 UQEIATOVMXLFLQ-UHFFFAOYSA-N 219.328 2.958 30 20 BFED C=CC(C)(C)C(=O)NC[C@@H](OC)C1CCCC1 620162077 FNCILMAXBLKWLN-GFCCVEGCSA-N 239.359 2.520 30 20 BFED C=CCN1CCC[C@@H]1c1ccc(O)cc1 620934553 LBEXKJJKMIHHGH-CYBMUJFWSA-N 203.285 2.715 30 20 BFED C=CCC1(NCc2nc(C)no2)CCCCC1 625934361 LEGRFVKDRGKCSJ-UHFFFAOYSA-N 235.331 2.747 30 20 BFED C=CCCC(C)(C)NCCCc1cnn(C)c1 639334449 CURAQQYTNJCDFU-UHFFFAOYSA-N 235.375 2.687 30 20 BFED C=C(C)CCNC(=O)c1c[nH]cc1C1CC1 640382039 PMOFGZVLRXUBMS-UHFFFAOYSA-N 218.300 2.588 30 20 BFED C=CCN(C[C@@H]1CCCOC1)C(C)(C)C 661756811 VZLMNLKZLSBNFN-LBPRGKRZSA-N 211.349 2.700 30 20 BFED C=CCCC(C)(C)NC(=O)NC1CCCC1 663399051 XXVJMHKQCOHFOU-UHFFFAOYSA-N 224.348 2.973 30 20 BFED C=C(C)CN(CC)C(=O)CCCc1cccnc1 666258940 OIXJAQZAYACSDP-UHFFFAOYSA-N 246.354 2.829 30 20 BFED CC(C)CC[C@@H]1CCCC1=Nn1cnnc1 727252086 PPEJGWTWGGTLMI-NSHDSACASA-N 220.320 2.719 30 20 BFED Cc1ccc(C=NNc2ccc(F)cn2)o1 731319686 XNYSRQQCTXNXKF-UHFFFAOYSA-N 219.219 2.568 30 20 BFED C#CCN(CC)[C@@H](C)c1ccccc1F 746143696 GDEPNDPSTHFHCB-NSHDSACASA-N 205.276 2.842 30 20 BFED C#CCN(CC)CCOc1cc(C)cc(C)c1 746457959 WYNSFIBEYJBIKO-UHFFFAOYSA-N 231.339 2.637 30 20 BFED C#CCNC(=O)Nc1cccc2ccsc12 752359337 HZKFUEAEESPHQA-UHFFFAOYSA-N 230.292 2.656 30 20 BFED C#CC(=O)Nc1cccc(N2CCCCCC2)c1 754055274 NGDPGJJRDNKDAQ-UHFFFAOYSA-N 242.322 2.639 30 20 BFED C[C@H]1CC/C(=C\C(=O)OCCCC#N)C1 754197032 WUKJDOIFWXIJKI-SPQRFVMMSA-N 207.273 2.580 30 20 BFED CN(C)c1ncc(C=NNc2ccccc2)s1 755462136 NXKJVOHQAWYKHZ-UHFFFAOYSA-N 246.339 2.655 30 20 BFED COc1ccccc1C=NNc1cc(C)ccn1 755902391 KUDBZDUBWQUTII-UHFFFAOYSA-N 241.294 2.845 30 20 BFED FC(F)CON=C1CCCOc2ccccc21 758899812 NXANIAGHDPBEAR-UHFFFAOYSA-N 241.237 2.845 30 20 BFED C#CCCCCc1nc(C2CCC2)no1 761642475 LIKWLTRQQSYDRT-UHFFFAOYSA-N 204.273 2.683 30 20 BFED C#CCN(CCOc1cccc(Cl)c1)C1CC1 763951335 WDULBBBDLKKWJE-UHFFFAOYSA-N 249.741 2.816 30 20 BFED CC(=NNc1cc(C)ccn1)c1cscn1 767900911 PAEVYHOFUDIEQE-UHFFFAOYSA-N 232.312 2.683 30 20 BFED CC[C@H](C)C(=O)OCC#Cc1ccc(F)cc1 771310567 DMCHEERABYFRHA-NSHDSACASA-N 234.270 2.767 30 20 BFED C#C[C@H](N[C@H](C)c1ccccc1F)[C@@H]1CCCO1 775572927 DLRFNCFVFHFZDR-UGFHNGPFSA-N 247.313 2.657 30 20 BFED Cc1ccc(F)c(C(=O)OCC2(C#N)CC2)c1 775854920 JGXNBJBEILBTBS-UHFFFAOYSA-N 233.242 2.595 30 20 BFED CCCC(CC)=NNCCN1CCCCC1 776186472 SOIDOXWGDZIOOT-UHFFFAOYSA-N 225.380 2.628 30 20 BFED Clc1ccnc(NN=Cc2ccc[nH]2)c1 777906974 KGALRJXSMAQYSF-UHFFFAOYSA-N 220.663 2.509 30 20 BFED CC[C@@H](C#N)OC(=O)c1cccc(C(C)C)c1N 781168157 WXHSYHGRBNZCTN-JTQLQIEISA-N 246.310 2.851 30 20 BFED CCCC(O)(CCC)CC(=O)O[C@H](C#N)CC 781191928 IFWPLGWWGZVMOX-NSHDSACASA-N 241.331 2.553 30 20 BFED C=CCCCCCOC(=O)[C@]1(C)CCOC1 784694365 FLERBWGPBVEFCK-CYBMUJFWSA-N 226.316 2.703 30 20 BFED COc1ccc(NN=CCC2CCOCC2)cc1 788722346 QGXAKWVDCKGULH-UHFFFAOYSA-N 248.326 2.910 30 20 BFED Cc1cccnc1NN=Cc1ccccc1O 790185628 IEHPFVXLZRXHBM-UHFFFAOYSA-N 227.267 2.542 30 20 BFED C#CCN(C)C(=O)c1ccccc1CC(C)C 790964866 PBOINMCNEIONMM-UHFFFAOYSA-N 229.323 2.590 30 20 BFED C#CCCCNC(=O)[C@@](C)(CC)CCC 793577289 BYFCWXFOPLLTCA-ZDUSSCGKSA-N 209.333 2.732 30 20 BFED CC(=NNCCC(F)(F)F)c1ccoc1 794553233 NSSHWNXGFSIYPK-UHFFFAOYSA-N 220.194 2.546 30 20 BFED CC(C)C[C@H]1CCCCN1CCO[C@@H](C)C#N 801933598 AQCJDFSYLLOVTE-UONOGXRCSA-N 238.375 2.816 30 20 BFED N#CCC1(OC(=O)c2cc(C#N)cs2)CCC1 810856682 BOWKNVZMDFEIQC-UHFFFAOYSA-N 246.291 2.613 30 20 BFED C=CCCCCOC(=O)[C@@H]1Cc2ccccc2O1 811012570 PBLCLGMFXVRJTP-AWEZNQCLSA-N 246.306 2.890 30 20 BFED C#CCON=Cc1cc2ccccc2s1 812232855 JWNVNPBPKWIGMK-UHFFFAOYSA-N 215.277 2.885 30 20 BFED C(=NOC1CCC1)c1ccc(-n2ccnc2)cc1 812237081 JJGDDZXCPMSFOF-UHFFFAOYSA-N 241.294 2.775 30 20 BFED CC(C)C[C@H](C)COC(=O)CCCC#N 812614189 GKGNJGMPCLYOIA-NSHDSACASA-N 211.305 2.906 30 20 BFED 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2.644 30 20 BFED Cc1ccc(C=NOCCC(F)(F)F)nc1 777459332 IHUMTXXOUCIWNY-UHFFFAOYSA-N 232.205 2.693 30 20 BFED COC[C@H](C)NN=C1CC[C@H](C)c2ccccc21 777900709 FTVDCWKRVXVRGQ-RYUDHWBXSA-N 246.354 2.913 30 20 BFED C=C[C@@](C)(CC)C(=O)OCC1CCOCC1 785766881 DRGMCYPWKXWYMT-ZDUSSCGKSA-N 226.316 2.559 30 20 BFED CC(=NN[C@@H]1CCOC1)c1cc(C)c(C)cc1C 788439649 MBJWOEFDEAKTDD-CQSZACIVSA-N 246.354 2.714 30 20 BFED C(=NN[C@@H]1CCOC1)c1cccc2ccccc12 788445864 JXMMZGUHFXZVFW-CQSZACIVSA-N 240.306 2.552 30 20 BFED C[C@H]1C[C@H](C)CCC1=NNc1nccn1C 790305956 RFKSUZQETBGYJB-ZJUUUORDSA-N 220.320 2.644 30 20 BFED C#CCCCCC(=O)OCC1(OC)CCCC1 791438272 CYIJMJDHWFAWKC-UHFFFAOYSA-N 238.327 2.682 30 20 BFED C=C(Cl)COC(=O)C1=C(CC)OCCC1 791532226 RHFQCUZCVZCDJN-UHFFFAOYSA-N 230.691 2.757 30 20 BFED CC(=NNCC1(C)CCCC1)c1cccnc1 793085067 WXYFOZYZQBRZJW-UHFFFAOYSA-N 231.343 2.976 30 20 BFED CC[C@H](C)CON=Cc1cccc(C#N)c1 793158012 DAPVKIOJOZLXSU-NSHDSACASA-N 216.284 2.955 30 20 BFED CC[C@H](C)CON=C(C)C[C@H]1CCOC1 793161063 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2.853 30 20 BFED C=CCON=Cc1cnc(C2CCC2)s1 835013847 ZGLAFSWMZYDTBU-UHFFFAOYSA-N 222.313 2.947 30 20 BFED C=CCON=C(C)c1cccc([N+](=O)[O-])c1C 835015297 HSAIWNBGMDSJFP-UHFFFAOYSA-N 234.255 2.830 30 20 BFED C=CC(C)(C)C(=O)OC[C@@H]1Cc2ccccc2O1 835243113 AKALCWQOKIPCIT-LBPRGKRZSA-N 246.306 2.746 30 20 BFED CC/C(C)=C/C(=O)O[C@H](C#N)C(C)(C)C 835291112 JEKZJSPUNSVLIS-TTZKWOQHSA-N 209.289 2.824 30 20 BFED COc1cccc(C)c1NC(=O)C#CC(C)(C)C 837580990 LVMANLUNYXCRQX-UHFFFAOYSA-N 245.322 2.992 30 20 BFED CC(C)(C)C#CC(=O)N1Cc2ccccc2CO1 837654692 ZSQCQTPDBYXXBH-UHFFFAOYSA-N 243.306 2.510 30 20 BFED C=CCONC(=O)N1CCC[C@H]1[C@@H](C)CCC 838709024 MDEAQRDBZSLUKL-RYUDHWBXSA-N 240.347 2.714 30 20 BFED C#CCC[C@@H](C)OC(=O)c1cc(C)n(C(C)C)n1 839040081 KIXSMMFSNPLTJD-GFCCVEGCSA-N 248.326 2.731 30 20 BFED N#C[C@@H]1CCC[C@H](OC(=O)CSC2CC2)C1 839064230 VOBACFQGIXTRTE-ZJUUUORDSA-N 239.340 2.508 30 20 BFED CCC(=NOC1CCOCC1)[C@H]1CC1(C)C 841634322 PEUPFVGCRRFGFP-LLVKDONJSA-N 225.332 2.994 30 20 BFED 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244.338 2.755 30 20 BFED CC#CCN(C)Cc1ccnc(Cl)c1Cl 897167209 IBNBIFRAOICTML-UHFFFAOYSA-N 243.137 2.844 30 20 BFED Cc1occc1C(=O)N(O)Cc1ccc(F)cc1 899895105 JOVJKVSFKFATHQ-UHFFFAOYSA-N 249.241 2.759 30 20 BFED CSCCON=Cc1cc(O)cc(Cl)c1 901235005 CGVHKINKRZSLMP-UHFFFAOYSA-N 245.731 2.759 30 20 BFED C=CCN(CC(=O)O)C[C@H](C)c1ccc(C)cc1 901586815 STHZWIJBSQDYGL-ZDUSSCGKSA-N 247.338 2.671 30 20 BFED CC1(C#N)CN([C@H]2C[C@@H]2c2cccc(F)c2)C1 906589815 YHEBBHCOSFVMCZ-OLZOCXBDSA-N 230.286 2.527 30 20 BFED C=C[C@@H](C)NCc1ccc(OC)cc1C 921835391 TXVQERXIZKQZIJ-LLVKDONJSA-N 205.301 2.668 30 20 BFED C=CCC[C@H](CO)NC1CC2(CCCC2)C1 926546357 RKVQZXJAGPPAPR-GFCCVEGCSA-N 223.360 2.626 30 20 BFED COc1ccnc([C@H](C)NCC(C)(C)CC#N)c1 926569711 TUZMXJHSKRVKSQ-NSHDSACASA-N 247.342 2.681 30 20 BFED N#C[C@H]1CCCN(C(=O)/C=C\C2CCCCC2)C1 928222074 PYJHMDLAQRDOFX-QIAWRQBBSA-N 246.354 2.885 30 20 BFED C=C(C)COC(=O)c1cc(C)nc2onc(C)c12 928628502 BGAGVBSVBRDFJP-UHFFFAOYSA-N 246.266 2.573 30 20 BFED C=C1CN(C(=O)Nc2cccc(CC)c2)C1 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C=CC[S@@](=O)[C@@H](C)c1cccc(C)c1 905191736 WQQVKJMDEGZRBQ-SMDDNHRTSA-N 208.326 2.991 30 20 BFED C=CCS(=O)(=O)C(CC)(CC)CC 905251294 JRMCJCHQXXOTPU-UHFFFAOYSA-N 204.335 2.556 30 20 BFED C=CCS(=O)(=O)[C@H](C)c1ccc(F)c(F)c1 906023924 RQVNWWYESOZMDH-MRVPVSSYSA-N 246.278 2.627 30 20 BFED C=CC(C)(C)CC(=O)NN1[C@@H](C)CCC[C@@H]1C 907989600 BPJYMKYEYVSNNU-RYUDHWBXSA-N 238.375 2.883 30 20 BFED C=C[C@H](CC)CC(=O)OCC[C@H]1CCCO1 909523816 BLKQKJGSWAIUOZ-VXGBXAGGSA-N 226.316 2.701 30 20 BFED CCC(Cc1ccccc1)=NNc1cnccn1 912961823 HKSBSCLVJAAIDW-UHFFFAOYSA-N 240.310 2.897 30 20 BFED CC(=NNc1ncccn1)c1cc(C)sc1C 912974135 LXAOCYBISFTHCP-UHFFFAOYSA-N 246.339 2.991 30 20 BFED Clc1cncc(NN=Cc2ccsc2)n1 914559513 DJDNJBXKZCTFAR-UHFFFAOYSA-N 238.703 2.638 30 20 BFED C=C(C)CNC(=S)N(C)[C@@H]1CCCC[C@@H]1C 914560524 UDZCLKJXPXTOIE-NWDGAFQWSA-N 240.416 2.948 30 20 BFED C=C(Cl)COC(=O)Cc1cccc(OC)c1 916610072 RURSHWAAAQJMRA-UHFFFAOYSA-N 240.686 2.533 30 20 BFED CCCCCCCOC(=O)COCC 918493433 ULAYSQXRUPDCHD-UHFFFAOYSA-N 202.294 2.537 30 20 BFED C=C(C)COCCN[C@H]1CCC[C@H](SC)C1 921848277 LNYDCXLQWWBDFW-STQMWFEESA-N 243.416 2.843 30 20 BFED C=CCC(C)(C)CNC(=O)N1CCC[C@H](C#N)C1 922605689 NTBRFYJVTHNJGY-GFCCVEGCSA-N 249.358 2.534 30 20 BFED C=C[C@H](CC)CC(=O)N(CCC#N)C(C)C 931327914 XBRHMSNXHHUXIK-GFCCVEGCSA-N 222.332 2.739 30 20 BFED N#CCCCCN[C@@H](c1ccccn1)C1CC1 932377144 GFFRBDHOAANQHE-CQSZACIVSA-N 229.327 2.816 30 20 BFED Cc1ccc(C#N)cc1C(=O)N1C[C@@H](C)[C@H](C)C1 933815520 FDWKGRWPOMKVJZ-VXGBXAGGSA-N 242.322 2.595 30 20 BFED C#CCCCNC(=O)C1(CC=C)CCCC1 1117870539 CTQCTNXRUBPJHA-UHFFFAOYSA-N 219.328 2.653 30 20 BFED CCCCCCCN1CC[C@@](O)(C2CC2)C1 1256095991 KRKNVWLWLDEFPZ-AWEZNQCLSA-N 225.376 2.804 30 20 BFED C=C[C@H](COC)NC(=O)[C@H]1CCCC[C@H]1CC 1321511561 NSBWDAYZQDJXSO-UPJWGTAASA-N 239.359 2.520 30 20 BFED C=C(C)CCC(=O)NCc1ccc(C)cc1OC 1337182037 CKGPUJKUQIYNBA-UHFFFAOYSA-N 247.338 2.976 30 20 BFED C=C(C)c1cccc(N[C@H](C)C(=O)O)c1 1588444644 MGABCSBWIJWROJ-SECBINFHSA-N 205.257 2.605 30 20 BFED C=C[C@H](Sc1ccc(COC)cc1)C(=O)O 1588714922 PSKUAGCYPDCJPJ-NSHDSACASA-N 238.308 2.564 30 20 BFED N#Cc1cccc(SCC2(C(=O)O)CC2)c1 1601121184 GZAJKIMDQKMBEL-UHFFFAOYSA-N 233.292 2.515 30 20 BFED Cc1cccnc1[C@H](C)N[C@H]1CC[C@@H](C#N)C1 1660606776 FEKPIHBVAHDICQ-XQQFMLRXSA-N 229.327 2.733 30 20 BFED C=C1CC(N(C)Cc2ccc(C(=O)O)cc2)C1 1776145219 LSYFGIQTEYBSPD-UHFFFAOYSA-N 231.295 2.535 30 20 BFED C[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 36886433 DMUANMQPRBADFI-SNVBAGLBSA-N 218.275 2.934 30 20 BFED C=C(Br)CNCc1ccccc1C 37871750 LSUOKRPJVXJAFU-UHFFFAOYSA-N 240.144 2.993 30 20 BFED Cc1cc(C)c(C#N)c(N2CCC[C@H]2C)n1 40509008 MTIUQPYICZJHER-LLVKDONJSA-N 215.300 2.559 30 20 BFED O/C(CC(F)(F)F)=N\CCc1ccccn1 44614088 UABXQQBVJPTTBS-UHFFFAOYSA-N 232.205 2.533 30 20 BFED C#CCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 49085428 RCOZTSRCIGTCTA-DHZHZOJOSA-N 241.334 2.747 30 20 BFED Cc1cc(C)cc(OCCN(C)CCC#N)c1 52711148 XJTHYPXWHHKFEI-UHFFFAOYSA-N 232.327 2.528 30 20 BFED C[C@H](Sc1ccc(C#N)cc1Cl)C(=O)O 62790612 QAFZLDOLDCJGTJ-LURJTMIESA-N 241.699 2.777 30 20 BFED CC(C)c1nc(CN(C)C[C@@H](C)C#N)cs1 64798420 YKVINRXNWNQTDK-JTQLQIEISA-N 237.372 2.858 30 20 BFED N#Cc1ccc(CCC(=O)OC2CCCC2)cc1 73070944 BYKOJIIWWVVQBK-UHFFFAOYSA-N 243.306 2.977 30 20 BFED CCCCOCCN(CC#N)C1CCCC1 80215354 BCCWWJCPXNFTAY-UHFFFAOYSA-N 224.348 2.571 30 20 BFED CC[C@@H]1CCCN(C(=O)c2cc(C#N)cs2)C1 84168733 VSJJNONBYMLXMT-SNVBAGLBSA-N 248.351 2.882 30 20 BFED COCCN(CCC#N)C[C@H]1CCC[C@H](C)C1 92799129 YEHQNXJBMPTALV-KBPBESRZSA-N 238.375 2.675 30 20 BFED C=CCOC(=O)CCOc1c(C)cccc1C 97221922 RATAXSAIZOOKLQ-UHFFFAOYSA-N 234.295 2.802 30 20 BFED C#CCCOC(=O)C(C)(C)c1ccc(F)cc1 103333552 IEVUZLCMCDAPBO-UHFFFAOYSA-N 234.270 2.670 30 20 BFED CCCCOCCNc1ccc(F)cc1C#N 107037835 MTFMOGBKMUJPDI-UHFFFAOYSA-N 236.290 2.926 30 20 BFED CC[C@](C)(C#N)NC(=O)c1ccc(SC)cc1 111325417 SERFIFFFEVPHSW-CYBMUJFWSA-N 248.351 2.831 30 20 BFED C[C@@H]1SCCN(Cc2cccc(C#N)c2)[C@@H]1C 118416418 WNBJACWXZSJTNE-NEPJUHHUSA-N 246.379 2.884 30 20 BFED CC#CCNC(=O)C[C@@H](C)Cc1cccc(F)c1 120962438 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CC[C@H](C#N)NC(=O)/C=C/Sc1ccccc1 171004406 LHLMEWWVIUUUGE-ANYFNZRUSA-N 246.335 2.711 30 20 BFED C#Cc1cccc(N(C)CCOC(C)(C)C)c1 171396783 RZOXDMCXBWJNCT-UHFFFAOYSA-N 231.339 2.919 30 20 BFED C=CC[C@@H](C)NC(=O)N(C)C[C@@H](C)CC 172080060 DWSMDSFZMDJYHW-WDEREUQCSA-N 212.337 2.639 30 20 BFED C=C(C)COC(=O)Cc1c[nH]c2ccc(F)cc12 172098164 OEBQRTNLATZZOK-UHFFFAOYSA-N 247.269 2.969 30 20 BFED C=CCN(CC=C)Cc1cn2ccsc2n1 172189381 USTGHEPYQMKBFM-UHFFFAOYSA-N 233.340 2.570 30 20 BFED CCc1nnc(CSc2ccccc2C#N)o1 172681069 XETLQLHWWDKVHJ-UHFFFAOYSA-N 245.307 2.796 30 20 BFED CC#CCN(C)[C@H](C)c1ccc(F)cc1 172717737 XJHUNJHFKJKSNS-LLVKDONJSA-N 205.276 2.842 30 20 BFED C#CCCCNC(=O)N[C@@H](C)C1CCCCC1 174126364 NXXKZYMBIOZOGQ-LBPRGKRZSA-N 236.359 2.668 30 20 BFED C=CCCCC(=O)N[C@@H](C)CCSCC 176105389 APFZHZPDALABPL-NSHDSACASA-N 229.389 2.991 30 20 BFED C[C@H](C#N)NC(=O)[C@H](C)c1cc2ccccc2o1 176192071 FMMWRWCVHKZBML-NXEZZACHSA-N 242.278 2.565 30 20 BFED C#Cc1cccc(N(C)C(=O)C2[C@@H]3CCC[C@@H]23)c1 176469233 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BFED Cc1ccc(F)cc1OC[C@@H](C#N)CCC#N 189468950 CRZCVBKTTZIHEK-LLVKDONJSA-N 232.258 2.956 30 20 BFED C=CCNC(=O)CSC(CC)(CC)CC 191932953 LVUDNPVUCJOILE-UHFFFAOYSA-N 229.389 2.991 30 20 BFED C=CCCCCCN1CC[C@H](CN(C)C)C1 193347550 KZDFZSYTGPPFDT-CQSZACIVSA-N 224.392 2.616 30 20 BFED CN(Cc1cccc(C#N)c1)C[C@H]1CCC=CO1 193687496 RPTNHZHJUNRIIY-OAHLLOKOSA-N 242.322 2.683 30 20 BFED CCN(CC)/C(N)=N\CC(C(C)C)C(C)C 193861761 RKIDLBGCZXPWEN-UHFFFAOYSA-N 227.396 2.571 30 20 BFED Cc1cc(C(=O)/C=C\c2ccccc2C)n(C)n1 210523836 PMCVWBYVDRROHB-HJWRWDBZSA-N 240.306 2.933 30 20 BFED C#C[C@@H](CCC)NC(=O)CCCc1ccccc1 233295041 WEZBYUMSFXAAHU-HNNXBMFYSA-N 243.350 2.927 30 20 BFED C#C[C@@H](CC)Nc1ccc([N+](=O)[O-])cc1F 233891784 WFSFXPRPDXLGIT-QMMMGPOBSA-N 222.219 2.558 30 20 BFED N#Cc1ccnc(NC2CCC2)c1Cl 236056182 OGDFCGFNEXPMAR-UHFFFAOYSA-N 207.664 2.571 30 20 BFED C=CCCC(=O)N(C)Cc1ccc(F)cc1F 263641014 BIHMXBXCBWDCFP-UHFFFAOYSA-N 239.265 2.889 30 20 BFED C[C@H]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C 267700990 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2.931 30 20 BFED C=CC[C@@H](CC)NCc1ccc(Cl)nn1 877497023 BNKNZMBOKSANCO-SECBINFHSA-N 225.723 2.574 30 20 BFED C=C/C=C/CCNC(=O)NCC(C)(C)C=C 883676752 WEKMITGBCSAHRZ-BQYQJAHWSA-N 222.332 2.630 30 20 BFED C[C@@H]1COCC1=NNc1cccc(Cl)c1 884374549 UHCIQYNIYPBZIK-MRVPVSSYSA-N 224.691 2.774 30 20 BFED C=C(CC)COC(=O)Cc1sc(C)nc1C 885693660 UPOMHVPOBHGMPG-UHFFFAOYSA-N 239.340 2.812 30 20 BFED CC(C)CCCNc1ccc(C#N)cc1CO 891729074 PVUXUCCOKLJYQJ-UHFFFAOYSA-N 232.327 2.899 30 20 BFED C=C1CCN(C(=O)NCC2(C3CC3)CCC2)CC1 893794503 NGMQAXOZUSMMMH-UHFFFAOYSA-N 248.370 2.928 30 20 BFED N#Cc1cnc(NC(=O)C23CCC(CC2)C3)s1 896485717 YRJUWWZVCCFUNC-UHFFFAOYSA-N 247.323 2.534 30 20 BFED C=CCC[C@H](N[C@H]1CCC[C@@H](CC)C1)C(=O)O 901689566 CZGQRQXONMCGIX-AGIUHOORSA-N 239.359 2.964 30 20 BFED C[C@@H](CCC1CC1)NC(=O)c1ccsc1C#N 907436963 MBIIFAMNYJVWGS-VIFPVBQESA-N 248.351 2.928 30 20 BFED C=CCCC(=O)Nc1ccc(C(=O)O)cc1CC 910959117 ANCJHQJBHWSAPH-UHFFFAOYSA-N 247.294 2.852 30 20 BFED C=CCCC[C@@H](N)C(=O)N(CC)c1ccccc1 911907365 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240.310 2.744 30 20 BFED CCCc1ccn(CC2(C#N)CCC2)n1 1325392476 JGKZDJWWCBFACN-UHFFFAOYSA-N 203.289 2.529 30 20 BFED C=CCN(C)Cc1coc(C(C)(C)C)n1 1332901580 GHFBAARZXYOKLT-UHFFFAOYSA-N 208.305 2.590 30 20 BFED C#CC[C@@H](C)OC(=O)[C@@]1(C)CCc2ccccc21 1342708856 GHGNFDAWOUYXLN-WBMJQRKESA-N 242.318 2.846 30 20 BFED C=CC[C@@H](CC)NC(=O)NC(C)(C)CSC 1343169821 IDEGLNCMZJQSJD-SNVBAGLBSA-N 244.404 2.782 30 20 BFED C=C(CC)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C 1345953612 SQLLNYIMTSCIOA-MVWJERBFSA-N 209.333 2.894 30 20 BFED N#CCCCCCC(=O)OCCc1ccncc1 1346019123 IHPXMVGAFKATOH-UHFFFAOYSA-N 246.310 2.641 30 20 BFED C=CCC(F)(F)C(=O)OCc1oc(C)nc1C 1346209706 ZHUMIEMBHGSIPZ-UHFFFAOYSA-N 245.225 2.546 30 20 BFED Cc1cc(OCc2nccnc2C)ccc1C#N 1473024175 HMXGCDZMSFGMOT-UHFFFAOYSA-N 239.278 2.544 30 20 BFED C=CC(C)(C)CC(=O)OCCc1ccoc1 1516930006 WMRWCIQJZUATJK-UHFFFAOYSA-N 222.284 2.968 30 20 BFED C=C(CC)C(=O)NC[C@H]1CC12CCSCC2 1548722444 OWLGSCYMDZDSGL-LLVKDONJSA-N 239.384 2.602 30 20 BFED C#CCCCS[C@@H](C)c1nc(C(=O)O)co1 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2.740 30 20 BFED N#Cc1ccc(NC(=O)C2[C@@H]3CCCC[C@@H]23)cc1 118364734 RVGYRUCELGUHID-CHWSQXEVSA-N 240.306 2.933 30 20 BFED C=CCC(CC=C)C(=O)Nc1cccnc1 120921821 KENPQWBKRWDSSH-UHFFFAOYSA-N 216.284 2.789 30 20 BFED CCSCc1cc(C#N)ccc1OC 128471334 YRCXXRUTIIJYOF-UHFFFAOYSA-N 207.298 2.820 30 20 BFED C=CCCOc1ccc(OCC)cc1C=O 128754669 WRMQDLULOXZTNM-UHFFFAOYSA-N 220.268 2.853 30 20 BFED C[C@@H]1CN(C)c2ccccc2N(CCCC#N)C1 128845148 IHSALOPYYINJSK-CYBMUJFWSA-N 243.354 2.883 30 20 BFED CCCCCCCN1CC[C@H](N)C[C@@H]1C 129030814 FWIZURZHNFLWNO-STQMWFEESA-N 212.381 2.768 30 20 BFED CN(Cc1ccccc1F)c1cccnc1C#N 129899807 WIFQLCDRJKGQRC-UHFFFAOYSA-N 241.269 2.729 30 20 BFED CC(C)(C)[C@H](C#N)NC(=O)C1=CCCCCC1 131666387 ULGQNENGAXETOA-LBPRGKRZSA-N 234.343 2.931 30 20 BFED CCOC(=O)C[C@H](C)CNc1ccc(C#N)cc1 132252011 LZEHZVVMKOYQIR-NSHDSACASA-N 246.310 2.559 30 20 BFED C=CCCOCCN[C@@H]1CCC[C@H](C)[C@H]1C 134743206 JAMMUADMKXUMCL-BFHYXJOUSA-N 225.376 2.993 30 20 BFED C#CCN(CC)C(=S)N[C@@H](C)c1ccccc1 138919174 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C1COC2(C1)CCC(=NOCC1CC1)CC2 814243920 TYCNTJAMIIHUQZ-UHFFFAOYSA-N 223.316 2.892 30 20 BFED CCOCSc1nc(C)cc(C)c1C#N 814719076 XVSRTHYWIWHNCV-UHFFFAOYSA-N 222.313 2.656 30 20 BFED Clc1ccc(C=NNC2CCCC2)o1 814833062 WFCVTDANADFVQI-UHFFFAOYSA-N 212.680 2.799 30 20 BFED C#C[C@@H](CCC)NC(=O)N(CC)CC1CCC1 820661823 XGBQAUFBCWMGSV-ZDUSSCGKSA-N 236.359 2.620 30 20 BFED C/C(=C/c1ccc(C#N)cc1)c1ncccn1 821018137 WTZAHKMLUOGLNS-LUAWRHEFSA-N 221.263 2.909 30 20 BFED C=CCCONC(=O)[C@@H](C)c1ccccc1C 825557377 YLEKAYVCEKUXMF-LBPRGKRZSA-N 233.311 2.722 30 20 BFED C=CC[C@H](C)[C@H](C)NCc1ccc(C(=O)O)o1 825660108 SZPQDHKMPXVDFQ-UWVGGRQHSA-N 237.299 2.668 30 20 BFED C#C[C@H](NC(=O)[C@H]1CCC[C@@H]1CC)C(C)(C)C 832093226 BZTHVRFTXZKXHK-AVGNSLFASA-N 235.371 2.977 30 20 BFED C[C@H](C#N)COC(=O)c1cccc2c1CCCC2 835238704 QLAQTWWARGZEMP-LLVKDONJSA-N 243.306 2.882 30 20 BFED C=CCONC(=O)Nc1ccccc1CCC 836256984 AEASVHJOIARKBE-UHFFFAOYSA-N 234.299 2.878 30 20 BFED CC#CCCCC(=O)O[C@@H](C)C(=O)c1ccco1 837641586 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C#C[C@@H](CC)OC(=O)[C@@H]1CCc2ccccc2C1 845517428 SYYHSJOSEKDNII-CABCVRRESA-N 242.318 2.747 30 20 BFED C=C(C)CONC(=O)/C=C(\C)C(C)(C)C 846537011 FNMKRJOVAQBOIA-JXMROGBWSA-N 211.305 2.603 30 20 BFED C#CCCNc1cccc(F)c1SC 849316841 DHZYMEVTBIWEQZ-UHFFFAOYSA-N 209.289 2.983 30 20 BFED C#CCOCCSc1ncc(C(C)(C)C)o1 853018721 QDOQZEMPRMCYBL-UHFFFAOYSA-N 239.340 2.714 30 20 BFED C#Cc1cccc(NC(=O)N2CC[C@@H]3C[C@H]3C2)c1 854263188 YNPDLGHUICRSPL-OLZOCXBDSA-N 240.306 2.542 30 20 BFED C/C(=C\C(C)(C)C)C(=O)N(C1CC1)[C@H](C)C#N 855582504 JAELWCNWDCDJPA-RJCSOLBVSA-N 234.343 2.882 30 20 BFED C=CCCC(C)(C)NC(=O)C#Cc1ccccc1 856374276 UZOWDJJCQTWOLW-UHFFFAOYSA-N 241.334 2.899 30 20 BFED C#CCCOC(=O)N1CCCc2cc(C)ccc21 858888224 IXQUDLMXYGNAGS-UHFFFAOYSA-N 243.306 2.908 30 20 BFED C#CC[C@@H](CCOC)N[C@@H](C)CCC(C)C 862547381 DJRPNUSBAXNNAY-KBPBESRZSA-N 225.376 2.829 30 20 BFED Cc1cccc(NN=C2CSC[C@@H]2C)n1 863160018 NPILLVNPKNZBNV-QMMMGPOBSA-N 221.329 2.541 30 20 BFED C=C[C@H](C)ON=C1CCCc2ncccc21 872387284 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237.343 2.574 30 20 BFED C=C[C@@H](CC)Cc1nc(-c2ncoc2C)no1 904063517 JPPQISYLRLPBFV-VIFPVBQESA-N 233.271 2.788 30 20 BFED C[C@H]1CCC[C@H]1NC(=O)c1ccsc1C#N 906581997 KRHHNXATQCMREI-WCBMZHEXSA-N 234.324 2.538 30 20 BFED CCC[C@@H](C)CC(=O)OCc1cc(C#N)ccn1 908964015 HAOFDJMPAQOTER-LLVKDONJSA-N 246.310 2.823 30 20 BFED CC(CCC(C)C)=NNc1cnccn1 912958796 IKVCOUMIWCWPDK-UHFFFAOYSA-N 206.293 2.701 30 20 BFED CCC(C)=NNc1nc2ccccc2n1C 915968110 SDDTUWDRRWLTOM-UHFFFAOYSA-N 216.288 2.771 30 20 BFED C=C(Cl)COC(=O)c1ccc(C)cc1 916610135 YBDXTXYCNUXCCK-UHFFFAOYSA-N 210.660 2.904 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1ccccc1O 930373929 PUXOZYPRUFVZJD-JTQLQIEISA-N 219.284 2.933 30 20 BFED Cc1cccc2oc(C(=O)N(C)CCC#N)cc12 930594251 JLWHRIURDVLPSB-UHFFFAOYSA-N 242.278 2.727 30 20 BFED C=C1CN(C(=O)Nc2cc(C)n([C@@H](C)CC)n2)C1 930714302 CNPJHYPUPFDJAP-JTQLQIEISA-N 248.330 2.566 30 20 BFED C=C[C@H](CC)CC(=O)N1C[C@H]2[C@@H](C1)C2(C)C 933549437 CAYFPJZFJRQPRA-UTUOFQBUSA-N 221.344 2.703 30 20 BFED Cc1ccccc1[C@@H](C)C(=O)NCCCC#N 935339882 YNBFQUIXANUIKZ-GFCCVEGCSA-N 230.311 2.519 30 20 BFED C=C[C@H](CC)CC(=O)N1Cc2cccnc2C1 935794912 HLOFTFRHFVBSPF-LLVKDONJSA-N 230.311 2.526 30 20 BFED N#CCCCCCC(=O)N1CC2CCC1CC2 1117545878 FUAOKBSRTGCQFQ-UHFFFAOYSA-N 234.343 2.861 30 20 BFED C=CCCCCCN(C)CCCNC(=O)CC 1230978235 YFIAYHWVIPNVCJ-UHFFFAOYSA-N 240.391 2.581 30 20 BFED C=CCC1(NCc2ncccc2C)CCOCC1 1330865415 JJQNZOILHZTVCW-UHFFFAOYSA-N 246.354 2.605 30 20 BFED C=CC[C@H](NC1CCC(CC)CC1)C(=O)O 1334017234 UFYHDMCZGWPMHB-MCIGGMRASA-N 225.332 2.574 30 20 BFED CC(C)(C)[C@H]1CCN1c1ncccc1C#N 1336823980 NSJODOCPQFNXBP-LLVKDONJSA-N 215.300 2.578 30 20 BFED C#Cc1ccc(NCC[C@@H]2CCO[C@H](C)C2)nc1 1337829554 FSPKEHKETUDWPX-TZMCWYRMSA-N 244.338 2.680 30 20 BFED C=CCn1c(CCC)nnc1N1CCCCCC1 1338914055 UPWWEIRSMBRELY-UHFFFAOYSA-N 248.374 2.797 30 20 BFED C=CCn1c([C@H](C)C(C)C)nnc1N1CCCC1 1339910586 HIVPRNSONUXAED-GFCCVEGCSA-N 248.374 2.824 30 20 BFED C=CCCCCOC(=O)c1ocnc1CC 1343652232 ZFWGQCGOVFJJCW-UHFFFAOYSA-N 223.272 2.750 30 20 BFED C=C[C@H](C)OC(=O)[C@@H]1CCO[C@@H](C(C)C)C1 1344389262 YHFVIKKJOXXGIN-QJPTWQEYSA-N 226.316 2.555 30 20 BFED Cc1c(C#N)cccc1C(=O)OC/C=C\Cl 1344668417 HJJAOUSWVROYOP-UTCJRWHESA-N 235.670 2.776 30 20 BFED C=C(C)CCNC(=O)c1cc2c(o1)CCCC2 1346807712 VBMWXAINBWXWQR-UHFFFAOYSA-N 233.311 2.854 30 20 BFED C=C(CC)C(=O)Nc1cc(CC(C)C)[nH]n1 1352424311 UUMRCTMPWLMSFD-UHFFFAOYSA-N 221.304 2.513 30 20 BFED C#CC[C@H](OC(=O)c1cc(C)co1)C1CC1 1357713838 WIJBXCQFJVMJHJ-NSHDSACASA-N 218.252 2.547 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)[C@@H]1CCC(C)(C)C1 1518552436 XLAZLCIIMYUPBD-NEPJUHHUSA-N 236.359 2.963 30 20 BFED C=C(C)C[C@@H](NCCCCC(C)C)C(=O)O 1588552804 AHNVVNYLYFAJOM-GFCCVEGCSA-N 227.348 2.822 30 20 BFED CC#CCSCc1ccccc1C(=O)O 1588932538 XNRLHYCEXCFKED-UHFFFAOYSA-N 220.293 2.641 30 20 BFED Cc1cc(N[C@H]2CC[C@@H](C#N)C2)ccc1C(=O)O 1611158042 YCYYARFPPHGRLW-PWSUYJOCSA-N 244.294 2.797 30 20 BFED N#Cc1c(F)cccc1Nc1cnn(CCF)c1 1642940316 VQXHYNCWGYUHBE-UHFFFAOYSA-N 248.236 2.607 30 20 BFED Cn1ccnc1SCCc1ccc(C#N)cc1 1651624112 KXSJWTHFCLPBBK-UHFFFAOYSA-N 243.335 2.627 30 20 BFED Oc1ccc(C#CC#Cc2ccccc2)cc1 1775937687 YESOAGFMCBAEAM-UHFFFAOYSA-N 218.255 2.795 30 20 BFED C=C[C@H](C)ON=C(C)c1cccc(C(=O)O)c1 1776090647 SDQQTOFPQDTBMW-VIFPVBQESA-N 233.267 2.700 30 20 BFED C=CCSc1ncnc2ccccc12 4268511 GVPYNGMXQRALGU-UHFFFAOYSA-N 202.282 2.908 30 20 BFED CC(C)CC(=O)Nc1ccc(OCC#N)cc1 18829542 OBECZSXCXVDSJE-UHFFFAOYSA-N 232.283 2.574 30 20 BFED C[C@H]1CCC[C@H](N(C)c2ccc(C#N)cn2)C1 42240371 DLVUZLPLNDMFIT-AAEUAGOBSA-N 229.327 2.968 30 20 BFED CCC(C#N)(CC)C(=O)N[C@H](C)c1ccccn1 44765681 VIQWBHNGXBIWIB-LLVKDONJSA-N 245.326 2.589 30 20 BFED N#Cc1ccc(N[C@H]2CCN3CCCC[C@H]23)cc1 48336909 LISRLPZTBWNBLG-LSDHHAIUSA-N 241.338 2.597 30 20 BFED C[C@H](C#N)CNCc1ccc(N2CCCC2)cc1 54181086 KZLBHCNICXCJLH-CYBMUJFWSA-N 243.354 2.536 30 20 BFED CN(CCC#N)Cc1nc2ccccc2s1 61798548 SNXFQJBQIVVPPL-UHFFFAOYSA-N 231.324 2.642 30 20 BFED N#Cc1ccnc(NCc2ccsc2)c1 63146649 STMBYIYZESDBPV-UHFFFAOYSA-N 215.281 2.627 30 20 BFED CCC[C@H](C)C(=O)N(CCC#N)Cc1ccco1 72678990 RJMOGFVVMVQVHX-LBPRGKRZSA-N 248.326 2.958 30 20 BFED Cc1cc(CN(CCC#N)CCC(C)C)no1 72691144 JQXCGMSHEJZXHL-UHFFFAOYSA-N 235.331 2.745 30 20 BFED CO[C@@]1(C)C[C@H](Nc2ccc(C#N)cn2)C1(C)C 75064478 WRARMZWIPSJTOJ-FZMZJTMJSA-N 245.326 2.569 30 20 BFED C[C@H]1C[C@@H](c2cccc(F)c2)N(CC#N)C1 75843023 BFZOMEBILYXSEU-GWCFXTLKSA-N 218.275 2.732 30 20 BFED C#CCOc1ccc(CN2CCC[C@H](C)C2)cc1 77012334 YQVBPWRAMFMCOT-AWEZNQCLSA-N 243.350 2.931 30 20 BFED CCCCC[C@H](C)CC(=O)/N=C1/NCCS1 79336835 HQUFUTMEAUBIBK-JTQLQIEISA-N 242.388 2.812 30 20 BFED C[C@H](C#N)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 79343175 IRCAKRXHKKAJIW-VXGBXAGGSA-N 236.359 2.821 30 20 BFED C[C@H](CC#N)NC(=O)c1cccc(F)c1Cl 79813119 DIPAHZYVTHNIKG-SSDOTTSWSA-N 240.665 2.511 30 20 BFED N#Cc1ccc(NC(=O)C2CCSCC2)cc1 82338712 CWEQGJCWGGVRHZ-UHFFFAOYSA-N 246.335 2.640 30 20 BFED N#Cc1csc(CNCC2CCCC2)c1 86500167 IAYREJIXIBFIBW-UHFFFAOYSA-N 220.341 2.900 30 20 BFED Cc1cccc(C)c1CN(C)C[C@@H](C)C#N 96811131 NJSXNFOWADZVAZ-NSHDSACASA-N 216.328 2.895 30 20 BFED C=CCN1CCC(Nc2ccccc2)CC1 101560696 CFODRBZWOLUXRC-UHFFFAOYSA-N 216.328 2.749 30 20 BFED COCCCSCc1cc(C#N)ccc1F 111659149 PBOXIELETFJLBE-UHFFFAOYSA-N 239.315 2.967 30 20 BFED CC[C@@H](CC1CCCC1)C(=O)N[C@@H](C)C#N 114320765 HKVVKLXUYLEUHO-JQWIXIFHSA-N 222.332 2.621 30 20 BFED C=CC[C@H](C)NC(=O)[C@@H](C)OCc1ccccc1 116850318 WBEYBTIIOCAHNQ-QWHCGFSZSA-N 247.338 2.673 30 20 BFED C=CC[C@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] 116861522 QYGMZRBHJHAORX-JTQLQIEISA-N 248.282 2.598 30 20 BFED CC[C@@H](C)C[C@H](C)NC(=O)C1(C#N)CC(C)C1 122385623 ZXYDWWGVTRZNBA-JJMZSNKZSA-N 236.359 2.867 30 20 BFED N#CC1(C(=O)NCCC2CCC2)CCCCC1 122578189 IXSJNGOQJJRBBU-UHFFFAOYSA-N 234.343 2.767 30 20 BFED CCCCCCCCSc1nnc(C)n1N 125270530 UQAKOWLGEOCOTF-UHFFFAOYSA-N 242.392 2.753 30 20 BFED CCCCCCCC(=O)N1CC[C@@H](N)[C@H](C)C1 125517464 AMNWGUWJKMWTNQ-CHWSQXEVSA-N 240.391 2.543 30 20 BFED C=C(C)COCCNCc1cccc2[nH]ccc12 125777300 RLQQSIQCHUJLAB-UHFFFAOYSA-N 244.338 2.850 30 20 BFED C=C(C)CN1CCOC[C@@H]1c1ccc(CC)o1 126115861 SWIKFWSZDRIFTI-CYBMUJFWSA-N 235.327 2.791 30 20 BFED CCc1ccc(/C=C/C(=O)N[C@@H](CC)CC#N)o1 129760309 WPWNLCWHGGETRA-AEZGRPFRSA-N 246.310 2.664 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@H](CO)Cc1ccccc1 130392737 ZJGAPQFWHFCDSP-DZKIICNBSA-N 247.382 2.780 30 20 BFED N#CCC(=O)Nc1cccc(-c2nccs2)c1 132184557 TUZYFWAUWFXDSO-UHFFFAOYSA-N 243.291 2.662 30 20 BFED C=CCC[C@@H](NC(=O)CCOC)c1ccccc1 133818812 BZSHEGUVQCIFGL-CQSZACIVSA-N 247.338 2.847 30 20 BFED CC(C)[C@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 134966596 IMFZJQRSQZRBNF-ZDUSSCGKSA-N 248.370 2.965 30 20 BFED C=C[C@@](C)(CC)C(=O)N[C@H](C)C1CCC1 135148746 UIJFBVYYFYGXKP-MFKMUULPSA-N 209.333 2.894 30 20 BFED C=C(C)CN1CCC(N[C@@H](C)C(C)C)CC1 152967187 ODYLWMVVCIBTRC-ZDUSSCGKSA-N 224.392 2.661 30 20 BFED C=C(C)CNC(=O)Nc1cccc(F)c1 153442432 JGRRJNUWJLFZPI-UHFFFAOYSA-N 208.236 2.523 30 20 BFED N#CCC(=O)N1CCC[C@H]1c1ccccc1Cl 153622139 BIKANYNLRFXJNR-LBPRGKRZSA-N 248.713 2.917 30 20 BFED C#CCOc1ccccc1OCC(C)C 154554468 DORCBPDBPFSQEO-UHFFFAOYSA-N 204.269 2.733 30 20 BFED C=CCCNC(=O)C12CC3CC(CC(C3)C1)C2 162166523 HHPDYARGVHTVOE-UHFFFAOYSA-N 233.355 2.895 30 20 BFED CCN(Cc1cc(C)cc(C)c1O)C[C@H](C)C#N 164224531 QTPWFFQTKLENPR-GFCCVEGCSA-N 246.354 2.991 30 20 BFED CC#CCOC(=O)CCCC1CCCC1 174041503 DNDMXKPVDLIUGI-UHFFFAOYSA-N 208.301 2.913 30 20 BFED CC[C@H](C)C(=O)N(CC)c1ccc(C#N)cc1 174074370 OGISCNKIZSLIJI-NSHDSACASA-N 230.311 2.957 30 20 BFED CCN(C(=O)c1c[nH]c(C#N)c1)C1CCCCC1 181223247 WEPWJZBQTKCRBC-UHFFFAOYSA-N 245.326 2.681 30 20 BFED CCC1(CNC(=O)c2c[nH]c(C#N)c2)CCCC1 181346235 WCIYTUUIDPZVMI-UHFFFAOYSA-N 245.326 2.587 30 20 BFED C=C(C)CN(C)c1ncc(C#N)cc1Cl 182867428 ZYAKCAUUILMJDR-UHFFFAOYSA-N 221.691 2.619 30 20 BFED C[C@H]1CCC[C@H](NC(=O)C(C)(C)C#N)CC1 188924195 ZAIOKZYEOWXDPD-QWRGUYRKSA-N 222.332 2.621 30 20 BFED C=CCC1(C(=O)Oc2cnn(CC)c2)CCC1 191988330 NYAUKIOJSOHKQT-UHFFFAOYSA-N 234.299 2.555 30 20 BFED C[Si](C)(C)C#Cc1cc([N+](=O)[O-])ccc1F 196163105 SMRCYJAYINPOKU-UHFFFAOYSA-N 237.306 2.963 30 20 BFED Cn1nccc1C(=O)/C=C\c1cccc(Cl)c1 210513257 GWDATXJTZKZYPU-WAYWQWQTSA-N 246.697 2.970 30 20 BFED N#Cc1ccc(OCc2ccno2)cc1Cl 220987191 UVYHXBAQMPGYTK-UHFFFAOYSA-N 234.642 2.779 30 20 BFED CC1(C)CCCC[C@H]1C(=O)N1CCC[C@H](C#N)C1 226583695 GXDNUOYSYWVYQO-OLZOCXBDSA-N 248.370 2.965 30 20 BFED CC[C@](C)(C#N)C(=O)N1CCC[C@@H]2CCC[C@H]21 227483230 IIQNJYTUEGENKV-OUCADQQQSA-N 234.343 2.717 30 20 BFED CC(C)(C#N)CNCc1ccc2cc[nH]c2c1 229672024 KOSIGBXYOJAKIV-UHFFFAOYSA-N 227.311 2.807 30 20 BFED N#Cc1ccsc1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 248387340 OZXJJYLFPUSQKT-QXEWZRGKSA-N 246.335 2.994 30 20 BFED Cc1ccc(O)c(C(=O)/C=C\c2cccnc2)c1 255725468 BKYHOVVEOMGULB-ALCCZGGFSA-N 239.274 2.992 30 20 BFED Cc1cc(C)cc(N/C(N)=N/C2CCC2)c1 262528074 MAJWODOLALWXDD-UHFFFAOYSA-N 217.316 2.583 30 20 BFED C[C@H](C#N)CN(C)[C@H]1CCc2ccc(F)cc21 267141358 IMPPGBXBBMKZGK-YGRLFVJLSA-N 232.302 2.904 30 20 BFED CC(C)(C#N)Cc1nc(-c2ccsc2)no1 278928642 DVHBJRDHPCUEDL-UHFFFAOYSA-N 233.296 2.890 30 20 BFED CC1(CCNCc2ccc(C#N)cc2)CC1 280485944 DZAPEMUNLCNEMA-UHFFFAOYSA-N 214.312 2.838 30 20 BFED C=CCN1CC[C@H](Sc2ccccc2C)C1=O 281063258 ULTOVTNBUJAYNC-ZDUSSCGKSA-N 247.363 2.874 30 20 BFED C=CC[C@@H](CC)NC(=O)/C=C/c1cncc(F)c1 281139018 UZPWNFNFIXMENP-KTRBRXNASA-N 248.301 2.705 30 20 BFED CCN(CC#N)C(=O)c1cccc(C2CCC2)c1 281912119 QIGXNTDDPHFQDD-UHFFFAOYSA-N 242.322 2.940 30 20 BFED CO[C@H]1CCN(Cc2cccc(C#N)c2)[C@@H](C)C1 282497814 WKEFDPCLOYJLGS-WFASDCNBSA-N 244.338 2.558 30 20 BFED C=CCCN(C)C(=O)c1c(C)coc1C 284808863 WSUVBIOHXWIHRV-UHFFFAOYSA-N 207.273 2.545 30 20 BFED Cc1cccc2c1CN(c1ccnc(C#N)c1)CC2 287545696 BUORLTTVPBTATD-UHFFFAOYSA-N 249.317 2.824 30 20 BFED C#C[C@@H](NCc1c(C)nn(CCC)c1C)C(C)C 289370615 LLDVTFQCOQIJMS-OAHLLOKOSA-N 247.386 2.657 30 20 BFED C=CC(C)(C)C(=O)Nc1cc(CCC)nn1C 297469151 KSYVQFDCYGRZDF-UHFFFAOYSA-N 235.331 2.523 30 20 BFED C=C(C)CN(CC)C(=O)CSC(C)C 298408209 QZEJIGRKWBZGHH-UHFFFAOYSA-N 215.362 2.553 30 20 BFED Cc1ocnc1CNc1cccc(F)c1C#N 301851195 FMZPYMCXNZECLD-UHFFFAOYSA-N 231.230 2.606 30 20 BFED C[C@H](C#N)CNc1ccc(Cl)cc1[N+](=O)[O-] 302047897 LWLCUIBYXLZXSG-SSDOTTSWSA-N 239.662 2.820 30 20 BFED C[C@H](C#N)OCCN(C)C1CCC(C)(C)CC1 302335720 GVHNUVSVSIEMBW-GFCCVEGCSA-N 238.375 2.816 30 20 BFED C[C@H]1OCC[C@H]1Sc1c(C#N)cccc1C#N 302763960 LABHFUJQSXVFCQ-BXKDBHETSA-N 244.319 2.699 30 20 BFED CC[C@H](C)CN(C)c1c(C#N)cccc1C#N 302900500 SRIABYTUHZLYED-NSHDSACASA-N 227.311 2.912 30 20 BFED C=C(C)CCNc1ncc(Br)cn1 307150780 UNROFIXPPHNNOT-UHFFFAOYSA-N 242.120 2.617 30 20 BFED Cc1cc(C#N)cc(N[C@@H]2C[C@@H](C)O[C@H]2C)c1 308158856 WCUMNPIKQMSXCF-UHIISALHSA-N 230.311 2.845 30 20 BFED C=C(Cl)CN[C@H]1CCC[C@@H]1CCOC 308529849 RMFJAEAAHAVKQL-MNOVXSKESA-N 217.740 2.534 30 20 BFED Cc1nc([C@@H](C)NCCCC#N)c(C)s1 309097379 DJYKCNYLEOBISQ-MRVPVSSYSA-N 223.345 2.714 30 20 BFED C[C@@H](CCc1ccc(F)cc1)NCCC#N 309810423 YVNIVLIEWIKOTF-NSHDSACASA-N 220.291 2.650 30 20 BFED C=CCC[C@H](CC)N[C@@H](CCC)C(=O)OC 310017923 LRHVNFYKJSCPGC-RYUDHWBXSA-N 227.348 2.663 30 20 BFED CC[C@@](C)(CNc1ccc(OCC#N)cc1)OC 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MZYKNTLIJYFDJF-UHFFFAOYSA-N 238.290 2.558 30 20 BFED CC1(C#N)CCC(N[C@H]2CCO[C@H]2C2CC2)CC1 336206762 JNHAMNAMMOGVCT-GQKFXUNGSA-N 248.370 2.616 30 20 BFED C[C@@H](C#N)N(C)C(=O)c1ccc(C2CCC2)cc1 336283264 QOESXVTWPXKGPE-NSHDSACASA-N 242.322 2.938 30 20 BFED Cc1nnc(SCCC2CC2)c(C#N)c1C 340670602 TZMRCPOCVVZALP-UHFFFAOYSA-N 233.340 2.857 30 20 BFED C[C@H](NCC1(C#N)CC1)c1ccc(F)c(F)c1 343589330 VLBRKAPMJCZSAB-VIFPVBQESA-N 236.265 2.919 30 20 BFED C=CCN(CCc1ccccc1)[C@@H](C)COC 345392641 NYNNMROTWOCOSB-AWEZNQCLSA-N 233.355 2.752 30 20 BFED C=CCCCC(=O)NCC(CC)(CC)OC 346954495 GMBADJBJFYKQFA-UHFFFAOYSA-N 227.348 2.664 30 20 BFED C[C@@H]1C[C@@]1(C#N)c1nc(CC2=CCCCC2)no1 351149036 IZDOBIUXNDKILK-YGRLFVJLSA-N 243.310 2.914 30 20 BFED C[C@@H]1C[C@H]1CC(=O)N(CCC#N)CC(C)(C)C 355388888 URTIQRDLGDQHQT-NEPJUHHUSA-N 236.359 2.821 30 20 BFED C=C1CCN(C(=O)CCCC(F)(F)F)CC1 356023726 WCEAUJOTBHFQOL-UHFFFAOYSA-N 235.249 2.898 30 20 BFED N#C[C@@H]1CCC[C@H](N[C@H]2CCOC3(CCC3)C2)C1 361432256 KUUYPOQMHYDWEU-RDBSUJKOSA-N 248.370 2.760 30 20 BFED C[C@H](NCC(C)(F)F)c1ccc(C#N)cc1 378775776 FDCMCFKCFPLWEU-VIFPVBQESA-N 224.254 2.864 30 20 BFED N#CC1(CN[C@H]2CCC[C@H](C3CC3)C2)CC1 381848514 SATLCEXAXNXEEZ-STQMWFEESA-N 218.344 2.849 30 20 BFED C#C[C@@](C)(CC)NC(=O)c1sccc1CC 384229738 WQWHYLYTQQBHPX-ZDUSSCGKSA-N 235.352 2.842 30 20 BFED C[C@H]1CC(NCC2(C#N)CC2)C[C@H](C)C1 389747867 YBDRJGGKRNJMAO-GHMZBOCLSA-N 206.333 2.704 30 20 BFED CC[C@H](C#N)C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 394270495 LZCVPNSPJYRDPD-JMSVASOKSA-N 248.370 2.963 30 20 BFED N#C[C@@H]1CCCN(CC=C(Cl)Cl)C1 403441536 CXJVNIVQPONKNS-QMMMGPOBSA-N 219.115 2.541 30 20 BFED CS[C@H]1CCC[C@@H](NCC(C)(C)C#N)C1 405143214 ULZQLEZHBBAEDC-MNOVXSKESA-N 226.389 2.800 30 20 BFED CCc1cnccc1[C@H](C)N[C@H](C)CCC#N 411508086 SYKCVBHHPFVWMB-NEPJUHHUSA-N 231.343 2.987 30 20 BFED Cn1c(CCSCCC#N)nc2ccccc21 413016872 XKQOGZISJXHNDE-UHFFFAOYSA-N 245.351 2.763 30 20 BFED CC[C@]1(C(C)C)C[C@H]1Nc1cnc(C#N)cn1 413374679 IVLLXECFVQDVGR-DGCLKSJQSA-N 230.315 2.585 30 20 BFED CC[C@@H](C)CNC(=O)c1cccc(CC#N)c1 421581079 PAGUSKVABAPGHK-LLVKDONJSA-N 230.311 2.529 30 20 BFED CCCCC[C@@H]1CCCN1C(=O)NCCC#N 426415901 FOVHBMHYTNSSIQ-GFCCVEGCSA-N 237.347 2.654 30 20 BFED C=CCn1cccc1C(=O)N(C)[C@@H]1CC1(C)C 428097446 POERMTDYNHTKFE-GFCCVEGCSA-N 232.327 2.545 30 20 BFED C=CCN(C)Cc1oc(C(C)C)nc1C 428436208 DYRMTZJHBHYRQP-UHFFFAOYSA-N 208.305 2.724 30 20 BFED N#CCC1(CNCc2csc(C3CC3)n2)CC1 430023945 PTZFXWLQVLYMEP-UHFFFAOYSA-N 247.367 2.804 30 20 BFED CCCCNC(=O)C1(c2cccc(C#N)c2)CC1 435114030 PUIXBNOVDHWDMR-UHFFFAOYSA-N 242.322 2.506 30 20 BFED COCCC(C)(C)NCc1ccc(C#N)c(C)c1 443997520 MGRCAVAOALIWHM-UHFFFAOYSA-N 246.354 2.771 30 20 BFED C=C[C@@H]1OCCC[C@H]1NCCc1cccc(C)c1 449549313 WPWOFFNIJLYAGO-CVEARBPZSA-N 245.366 2.861 30 20 BFED C[C@@H]1C[C@H]1CNc1cccc(CC#N)c1 449702987 SXEWMDTZDNMXQR-PWSUYJOCSA-N 200.285 2.821 30 20 BFED C=C(CC)CNCc1cn2cc(C)ccc2n1 449735190 QDVMZHQJYFUGLE-UHFFFAOYSA-N 229.327 2.699 30 20 BFED CC[C@H]1CCC[C@H]1NCC1(C#N)CCC1 450847681 SBHCVKOLAURRFB-NWDGAFQWSA-N 206.333 2.849 30 20 BFED N#CCCNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 451247694 XJZORGQIAWALQP-ZIAGYGMSSA-N 242.322 2.600 30 20 BFED CC[C@H]1CCC[C@H]1CNC(=O)CC(C)(C)C#N 452529820 PBIMPZSGQVNKAF-RYUDHWBXSA-N 236.359 2.869 30 20 BFED C=C(C)CCNC(=O)CO[C@@H]1CCCC[C@@H]1C 452719986 VEIFXNLAEAFPEK-QWHCGFSZSA-N 239.359 2.664 30 20 BFED C=C(C)CCNC(=O)[C@@H]1CCCc2cccnc21 452720923 YIFQPUNFGQSLFV-CYBMUJFWSA-N 244.338 2.584 30 20 BFED C#C[C@@H](CC)/N=C/c1cc(Cl)ccc1O 491696291 IYXVJAYPUNDIHQ-KYJZABPNSA-N 221.687 2.876 30 20 BFED CC[C@@H](C)[C@@H]1CCCCN1c1cc(C#N)ncn1 516703897 GOYPTGSLKAAECW-YPMHNXCESA-N 244.342 2.753 30 20 BFED CC(C)(C)CC(=O)Nc1cc(CC#N)ccn1 531924763 XPVWTCHGTQZWDU-UHFFFAOYSA-N 231.299 2.522 30 20 BFED C=C(CC)COc1cccc(C(=O)OC)c1 536880817 GMFGNECKPVSJSI-UHFFFAOYSA-N 220.268 2.818 30 20 BFED C=C(CC)CSc1nc(C)c(C)c(O)n1 538517999 GPADYVPLYKESAB-UHFFFAOYSA-N 224.329 2.857 30 20 BFED C[C@@H](C#N)CNc1cccc(-c2ccccn2)n1 545885272 JHNRUJJVLQFHGB-NSHDSACASA-N 238.294 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BFED C=C1CC(c2noc([C@H](OC)C3CC3)n2)C1 896876984 DVNBFZMHCZVIAF-SNVBAGLBSA-N 220.272 2.601 30 20 BFED C=C1CN(C(=O)CCc2ccc([C@H]3C[C@H]3C)o2)C1 898691364 SIPCNWPYVDRVGF-YPMHNXCESA-N 245.322 2.734 30 20 BFED C=C[C@@H](C)ON=Cc1cnn(CC2CCC2)c1 901262523 ZZAXYUOKEGHMME-LLVKDONJSA-N 233.315 2.608 30 20 BFED COc1ccc(CON=CC2CC2)cc1C 902532653 OYTJIEFXJKUPIR-UHFFFAOYSA-N 219.284 2.916 30 20 BFED CC[C@H](CON=C(C)C(C)=O)CC(F)F 902758680 VOWUYQXWGABTAJ-VIFPVBQESA-N 221.247 2.649 30 20 BFED OCc1cccc(N=Cc2ccccc2O)c1 920944359 CCPFPLNUIGMFLY-UHFFFAOYSA-N 227.263 2.635 30 20 BFED CC1(C)CC[C@@H](NC(=O)N2CCC[C@H](C#N)C2)C1 921752080 ZUKKGPAHPBJHBR-VXGBXAGGSA-N 249.358 2.510 30 20 BFED CCN(CCCO)CCCCC1(C#N)CCC1 929752644 OGMVAMSGYCASHP-UHFFFAOYSA-N 238.375 2.555 30 20 BFED C=C(C)CN(CC)C(=O)c1cc(C#N)ccc1C 930117444 LYQXMAYNKJSDIP-UHFFFAOYSA-N 242.322 2.905 30 20 BFED C[C@@H]1CN(C(=O)Nc2sccc2C#N)C[C@H]1C 931842742 NIVYHIVXBQAAME-RKDXNWHRSA-N 249.339 2.739 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1cccc(C)n1 1119816920 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20 BFED C=C[C@H](C)ON=C(C)c1ccc(C(=O)O)cc1 1588688024 WIGJRSSWJHPSEC-VIFPVBQESA-N 233.267 2.700 30 20 BFED C[C@@H](CC(=O)O)S[C@@H](C#N)C1CCCC1 1592420762 IIUKELLZLRILMO-WPRPVWTQSA-N 227.329 2.665 30 20 BFED N#Cc1ccc(CNc2cc(F)ccn2)c(F)c1 1621063614 QBKUKKUZIYMGRG-UHFFFAOYSA-N 245.232 2.844 30 20 BFED C=CC[C@@]1(C(=O)O)CCN(CCC=C(C)C)C1 1776160639 ODIGGGWEUSFWOK-CQSZACIVSA-N 237.343 2.696 30 20 BFED O/N=C/c1cc(Br)c(F)cc1F 1975391788 DJAJXNDTZMMOAJ-QDEBKDIKSA-N 236.015 2.535 30 20 BFED C=CCN(C(C)=O)c1nc2c(s1)CCCC2 6304714 SCAGRQTZYRKOFB-UHFFFAOYSA-N 236.340 2.561 30 20 BFED Cc1nnc(N[C@H]2CCC[C@H](C)C2)c(C#N)c1C 25571447 MROUQWDWQXAPIG-CABZTGNLSA-N 244.342 2.956 30 20 BFED C=CCNC(=O)N[C@H](CC)c1ccccc1OC 31101226 LRMFNPFBMRUSDF-GFCCVEGCSA-N 248.326 2.632 30 20 BFED Cc1ccc(C(=O)/C=C/c2ccnn2C)cc1C 31823903 RDMOPGYFXYDXAL-VOTSOKGWSA-N 240.306 2.933 30 20 BFED O=C(O)c1ccccc1C#Cc1ccccc1 34504768 IJPBPBZPJIUTFD-UHFFFAOYSA-N 222.243 2.785 30 20 BFED CN(Cc1ccco1)Cc1ccc(C#N)cc1F 35126428 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C=CCOC(=O)C1(c2cccc(F)c2)CCC1 121757661 TXNVNVJZJOGDKP-UHFFFAOYSA-N 234.270 2.977 30 20 BFED C=C(C)CN(Cc1ccncc1)C1CC1 122324385 MJRZGOZPHHFNFC-UHFFFAOYSA-N 202.301 2.622 30 20 BFED O=C1/C(=C/c2cncs2)Cc2c(O)cccc21 129992122 IDHIRFOVQKAUFL-XBXARRHUSA-N 243.287 2.671 30 20 BFED C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)C1CC1 131743506 DRSGRGFIBVYPNM-MRVPVSSYSA-N 231.255 2.677 30 20 BFED CC[C@](C)(C#N)C(=O)N[C@@H]1CCC(C)(C)C1 132719270 MRCKOLZENMBEDM-ZWNOBZJWSA-N 222.332 2.621 30 20 BFED CC(C)N(CCCCC#N)CC(F)F 135378764 YCCSQMHZGFEYGH-UHFFFAOYSA-N 204.264 2.656 30 20 BFED Cc1ccc(NC(=O)N[C@H](C)CC#N)cc1C 153143446 VHOPBPSXASNZEN-LLVKDONJSA-N 231.299 2.727 30 20 BFED COc1ccc(CN[C@H](C)CC#N)cc1Cl 166514350 YHXFBXMKURAWLJ-SECBINFHSA-N 238.718 2.740 30 20 BFED C=CCCNCc1ccc(Br)o1 168517435 QNLADVZHMHYZOC-UHFFFAOYSA-N 230.105 2.708 30 20 BFED Cc1ccccc1NC(=O)NCCCCC#N 170902371 NIUNHXNFKGJRTC-UHFFFAOYSA-N 231.299 2.810 30 20 BFED CCCCn1cc(C#N)c(=O)c2ccccc21 171555173 PJDMEPNRMJTGJK-UHFFFAOYSA-N 226.279 2.673 30 20 BFED N#CCCCC[S@@](=O)Cc1ccc(F)cc1 172828105 QTUIZCZIISBXQM-MRXNPFEDSA-N 239.315 2.768 30 20 BFED C=CCCCC(=O)NCc1ccc([C@H](C)O)cc1 175406966 VKWFWTNJZHEYGB-LBPRGKRZSA-N 247.338 2.712 30 20 BFED Cc1cc(F)cc(NC(=O)NCCCCC#N)c1 178259832 GYHDYGSCLUNZDB-UHFFFAOYSA-N 249.289 2.950 30 20 BFED CC#CCNc1cc(NC(C)=O)ccc1Cl 182305467 AHGGRDRMXWXDBH-UHFFFAOYSA-N 236.702 2.734 30 20 BFED C=CCCOc1ccccc1-c1nnco1 183015186 VKWLGPAVMDUUTH-UHFFFAOYSA-N 216.240 2.692 30 20 BFED CC#CCCCC(=O)Nc1ccc(N(C)C)cc1 184862041 UGLSUSYESGLEHT-UHFFFAOYSA-N 244.338 2.885 30 20 BFED CC#CCCCC(=O)N[C@H](C)CCSCC 185727140 BTFIIDABCLYHGF-GFCCVEGCSA-N 241.400 2.828 30 20 BFED N#Cc1c(F)cccc1C(=O)N[C@H]1CC=CCC1 188134381 LXUQEIWOIBZREI-JTQLQIEISA-N 244.269 2.536 30 20 BFED C=CCN(CCOC)C(=O)c1ccc(C)c(C)c1 190464500 ZIRFXQUCCFNOFJ-UHFFFAOYSA-N 247.338 2.578 30 20 BFED C#CCCCC(=O)N1CCCC(C)(C)CC1 192138111 HBUSIMCYHCFWPO-UHFFFAOYSA-N 221.344 2.829 30 20 BFED N#CCC1CCN(CCC(F)(F)F)CC1 215778810 NHKYTDBFDPDNGV-UHFFFAOYSA-N 220.238 2.564 30 20 BFED CC1(C)C[C@@H]1CNCc1ccc(C#N)cc1F 227597333 QSLIKNYRUAGQJT-GFCCVEGCSA-N 232.302 2.833 30 20 BFED C=CCCNc1cc(Cl)nc(C2CC2)n1 229330265 BGJPXUDKSPIKRL-UHFFFAOYSA-N 223.707 2.995 30 20 BFED CC(C)CS(=O)(=O)CCCCC(C)(C)C#N 232613280 KNGDREJACWTQCN-UHFFFAOYSA-N 245.388 2.777 30 20 BFED Cc1ccc2c(c1)C(=O)/C(=C/c1ccnn1C)C2 255618933 XWWWWUBELWBYKL-FMIVXFBMSA-N 238.290 2.551 30 20 BFED Cc1ccc(/C=C\C(=O)c2cnccn2)cc1 255696330 CWAJGMQKZGBTKY-SREVYHEPSA-N 224.263 2.681 30 20 BFED CC[C@@H](C)N/C(N)=N/[C@@H]1C[C@H]1C1CCCCC1 262733289 IFFHYJFIBOLROW-KGYLQXTDSA-N 237.391 2.658 30 20 BFED CCC1(CC)CCN(C(=O)c2cc(C#N)c[nH]2)C1 268090207 TUOXJHRYFDVFQW-UHFFFAOYSA-N 245.326 2.539 30 20 BFED C#CC[C@@H](N[C@@H](CC)COC)c1ccccc1 271601929 ZPWGQBUISLGXFK-LSDHHAIUSA-N 231.339 2.766 30 20 BFED C=CCCCN[C@H](CCOC)c1ccco1 273214345 CAUAHZRVMKRJPQ-GFCCVEGCSA-N 223.316 2.913 30 20 BFED N#Cc1cccnc1NCCC[C@H]1CCCCO1 273698451 CJTLCMGRIZNNJR-CYBMUJFWSA-N 245.326 2.714 30 20 BFED C=C(Cl)CN[C@H](C)c1cncc(C)c1 274591850 KCKHMKDVLGUPCE-SNVBAGLBSA-N 210.708 2.793 30 20 BFED C#C[C@@H](C)NC(=O)Nc1ccccc1CCC 276607210 ZJXTWOBSEAAMBT-LLVKDONJSA-N 230.311 2.782 30 20 BFED CC#CC(=O)N[C@H](C)c1cc(C)sc1C 277572000 YBLJLDBWISEMJG-SECBINFHSA-N 221.325 2.565 30 20 BFED C=CCn1c(C)nnc1S[C@@H]1CC[C@@H](C#N)C1 278512987 FIAAYMPXKYOZPM-GHMZBOCLSA-N 248.355 2.557 30 20 BFED C=CC[C@@H](CC)NC(=O)COCc1ccccc1 281188502 ZMHIOYFUMXYIOT-CQSZACIVSA-N 247.338 2.674 30 20 BFED CC[C@@H](CC#N)NC(=O)c1occc1C(C)C 284539189 CXPSJGWXIFDMTJ-JTQLQIEISA-N 234.299 2.825 30 20 BFED N#Cc1ccncc1NC[C@@H]1CCCSC1 288641395 XLSMMVILFRUEAC-JTQLQIEISA-N 233.340 2.508 30 20 BFED N#CCCCCNc1ccc(C#N)c([N+](=O)[O-])c1 290538115 IAYHFYOICOHGDH-UHFFFAOYSA-N 244.254 2.572 30 20 BFED C=CC[C@H](C)NC(=O)c1cc(C)cs1 293700990 NHVJMVZZYVFSBU-VIFPVBQESA-N 209.314 2.751 30 20 BFED C=CCC(C)(C)C(=O)Nc1nc(C2CC2)c[nH]1 296355756 WKOPMXBCONLRFA-UHFFFAOYSA-N 233.315 2.828 30 20 BFED C=CC(C)(C)C(=O)OCc1cccc(OC)c1 296560959 NSEWIARNUVDNCJ-UHFFFAOYSA-N 234.295 2.951 30 20 BFED C=C[C@@](C)(CC)C(=O)Nc1ccn2ccnc2c1 297700095 IHJVWPWFJJNIAS-AWEZNQCLSA-N 243.310 2.875 30 20 BFED N#Cc1ccc(NC2CCCCCCC2)nn1 301872649 DKRGWABEGCFYAJ-UHFFFAOYSA-N 230.315 2.873 30 20 BFED CCC[C@H]1[C@@H](C)CCCN1c1ccc(C#N)nn1 301981861 YAVVVOCMNHZFFI-AAEUAGOBSA-N 244.342 2.753 30 20 BFED C#C[C@H](N[C@H]1C[C@H](OCC)C12CCC2)C(C)C 305906619 DAGXFKPODXLAEP-IHRRRGAJSA-N 235.371 2.582 30 20 BFED C#CCCCNc1ncc(Cl)s1 306482944 JOSBSNMHRRIQKH-UHFFFAOYSA-N 200.694 2.622 30 20 BFED C[C@H]1[C@H](S)CCN1Cc1ccccc1 307446300 CXVYRAXVUKPVNF-CMPLNLGQSA-N 207.342 2.579 30 20 BFED CC[C@H](C)C(=O)Nc1cc(C)cc(C#N)c1 308211944 LMOQRRXNBHETJH-JTQLQIEISA-N 216.284 2.851 30 20 BFED Cc1cc(NCc2ccccc2O)cc(C#N)n1 308276333 NRNCEPWJVLCNML-UHFFFAOYSA-N 239.278 2.579 30 20 BFED C#C[C@@H](C)N[C@@H](C)Cc1ccc(C)cc1 309008977 RAAAFMJYUSKMIC-OLZOCXBDSA-N 201.313 2.537 30 20 BFED C=CCC[C@@H](NC[C@H](CC)OC)C1CC1 309094875 DNCJFAFJKSTELE-QWHCGFSZSA-N 211.349 2.746 30 20 BFED C=C[C@@H](COC)N[C@H](C)CCc1ccsc1 309492653 XPUOOYSUVNUFBZ-YPMHNXCESA-N 239.384 2.860 30 20 BFED C=C(CC)CNCc1cnc(C(C)(C)C)nc1 313492758 ODHNOQJAHDMCCO-UHFFFAOYSA-N 233.359 2.830 30 20 BFED C=CCC[C@H](CO)N[C@@H]1CCc2ccccc21 320668401 RUOIWDJYSRTIQX-UKRRQHHQSA-N 231.339 2.591 30 20 BFED Cn1c(N=C(O)C2CCCC2)nc2cccnc21 329925505 VLSCFPFOIHIEHX-UHFFFAOYSA-N 244.298 2.747 30 20 BFED N#CC1(CN2CCC3(CCCCC3)C2)CC1 334149937 IFOBRDMAKYHBBO-UHFFFAOYSA-N 218.344 2.946 30 20 BFED C[C@H]1C[C@@H](C)CN1C(=O)c1ccc(CC#N)cc1 334439692 LCSIKYDGSZLRHJ-NEPJUHHUSA-N 242.322 2.623 30 20 BFED CC(C)(C#N)CC(=O)N1C[C@H]2CCC[C@@H](C2)C1 335103513 ONHRNXNGSCMCLO-RYUDHWBXSA-N 234.343 2.575 30 20 BFED C[C@H]1CCC[C@H](C)C1NCC1(C#N)CC1 335606813 PTORQCCDFIJGII-QWRGUYRKSA-N 206.333 2.704 30 20 BFED CC[C@H]1c2ccsc2CCN1C(=O)[C@H](C)C#N 335670909 DZXNVKAZKUGZLA-KOLCDFICSA-N 248.351 2.744 30 20 BFED CC#CCCNC(=O)N1c2ccccc2C[C@H]1C 335854272 DAFDPJILEDNUID-GFCCVEGCSA-N 242.322 2.561 30 20 BFED N#CCc1ccc(CN2C[C@@H]3CCC[C@H]3C2)cc1 335990221 WGFFODVEGUNFFS-HOTGVXAUSA-N 240.350 2.985 30 20 BFED C=C(C)CN1CCC(OCCCC)CC1 336648139 NMAHYLSZYUQKQF-UHFFFAOYSA-N 211.349 2.844 30 20 BFED C=C(C)[C@H](CC(=O)N1CCC[C@@H]1CC)OCC 339201188 PVBDLYKDPMOUNW-STQMWFEESA-N 239.359 2.759 30 20 BFED C=CCCC1(C(=O)N[C@@H]2CCC[C@H]2F)CC1 340781140 OSYDHPCNNIWLBP-GHMZBOCLSA-N 225.307 2.740 30 20 BFED CC[C@@H]1C[C@H](C)CN1C(=O)NCCCCC#N 341112920 ABSRDUAWWGAWFA-NWDGAFQWSA-N 237.347 2.510 30 20 BFED CC#CCCCC(=O)N[C@H](C)CC(F)(F)F 341364461 GMCMIPYFPCFKIM-SECBINFHSA-N 235.249 2.637 30 20 BFED C=CCC(C)(C)C(=O)N1CCS[C@@H](CC)C1 341374019 MNUCDSUCGAOUPH-NSHDSACASA-N 241.400 2.943 30 20 BFED C=CCCCC(=O)N1CC(C2CCC2)C1 341400757 LXVQOTATVWEYOU-UHFFFAOYSA-N 207.317 2.601 30 20 BFED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1CC 342528598 OPOVSDGKRRWAHJ-GHMZBOCLSA-N 210.321 2.535 30 20 BFED C=C(C)C[C@H](C)C(=O)N[C@H]1CC[C@@H](F)C1 345646802 UMIAHABXJOQLNV-AXFHLTTASA-N 213.296 2.596 30 20 BFED Cc1cc(C)cc(C[C@@H](C)NC(=O)[C@H](C)C#N)c1 346278770 GDIYFEKIXOMJLP-CHWSQXEVSA-N 244.338 2.510 30 20 BFED C=C[C@](C)(CC)c1nc([C@@H]2CCCOC2)no1 347137184 LGGNJARXKMEBAM-ZWNOBZJWSA-N 236.315 2.817 30 20 BFED C=C(C)CCc1noc([C@@H]2[C@H](C)C2(F)F)n1 347244221 MNEOYBABFKBJOX-CBAPKCEASA-N 228.242 2.947 30 20 BFED C[C@H](N[C@@H]1C[C@@H]1C(F)F)c1cccc(C#N)c1 348351772 YFVOMRQCSJOFOR-KPXOXKRLSA-N 236.265 2.862 30 20 BFED C=CCCc1noc(C2C[C@H](C)O[C@@H](C)C2)n1 351129013 BRYIYZKFNDGLFN-UWVGGRQHSA-N 236.315 2.859 30 20 BFED C=CCN(CCc1ccco1)C[C@@H]1CCCOC1 352720983 PKIGEQXVDIVWPI-AWEZNQCLSA-N 249.354 2.737 30 20 BFED C=CCCC[C@H](C)N(C)CCc1noc(C)n1 353184304 APAKKMZOTLHTFH-NSHDSACASA-N 237.347 2.597 30 20 BFED C[C@H]1C[C@H](C)CC[C@@H]1NC[C@H](C#N)CCC#N 360328326 FNIMFDBONKYLSI-RFGFWPKPSA-N 233.359 2.844 30 20 BFED C=C(Cl)COC(=O)[C@@H]1C[C@H]1CCC 378670120 CPTMTWROMGXRCC-RKDXNWHRSA-N 202.681 2.718 30 20 BFED C#C[C@@H](CC)NCCSCc1ccccc1 381466343 MSMREACMRJDFTA-AWEZNQCLSA-N 233.380 2.921 30 20 BFED C=CCCC[C@@H](C)NCc1cnn(C)c1Cl 393519032 NDEYSOTYZJZQGN-SNVBAGLBSA-N 241.766 2.908 30 20 BFED C=CC[C@@H](C)[C@H](C)NCC1(C#N)CCC1 418135973 BOEKMEQOTGNEIS-NEPJUHHUSA-N 206.333 2.871 30 20 BFED N#Cc1ccnc(N2CC[C@@H](C3CCCC3)C2)c1 420621720 SCNKDRXNWAYOEK-CQSZACIVSA-N 241.338 2.970 30 20 BFED C=CCCCCNC(=O)[C@]12CCC[C@H]1C2 421514608 LGYKYQXAIQPHNX-AAEUAGOBSA-N 207.317 2.649 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@H](CN)C1CCCC1 423530085 PFOGBLYSWRPVRZ-SGMGOOAPSA-N 224.392 2.694 30 20 BFED C=C(C)C(C)(C)C(=O)NCc1cc(C)nc(C)c1 424895838 SKAKNXRUPHNRQU-UHFFFAOYSA-N 246.354 2.917 30 20 BFED CCc1nc(C)c(CN(CCC#N)CC2CC2)o1 428243059 GQLXHWXXQACNFI-UHFFFAOYSA-N 247.342 2.671 30 20 BFED C=CC(C)(C)CN[C@H](C)CC1CCOCC1 449487143 XEKSIZLMDXHSQK-GFCCVEGCSA-N 225.376 2.993 30 20 BFED C=CCC[C@@H](CC)N[C@@H](CO)CCC=C 449694513 BWFXISFTLLMDHN-CHWSQXEVSA-N 211.349 2.648 30 20 BFED C=CCC[C@H](CO)NC[C@H]1C[C@H]1c1ccccc1 449694965 DAHQTVAJESRGJA-OAGGEKHMSA-N 245.366 2.707 30 20 BFED C=CC[C@H](C)NC(=O)N1CC[C@H](CC2CC2)C1 454516539 FIAPSCOPQQAUGU-WCQYABFASA-N 236.359 2.783 30 20 BFED C=C[C@@H](C)NC(=O)NC[C@@H]1CCCC1(C)C 454661771 HUOLSLWSBRBPOY-MNOVXSKESA-N 224.348 2.686 30 20 BFED C=C(C)CCNC(=O)[C@@]1(C)CC=CCC1 456125176 UPJQVMJEICBKES-ZDUSSCGKSA-N 207.317 2.815 30 20 BFED C[C@@H](CC(C)(C)C)NC(=O)NCC(C)(C)C#N 458648757 LDELHHWWLYAHBI-JTQLQIEISA-N 239.363 2.660 30 20 BFED C=CC[C@H](C)[C@H](C)NCC[C@H]1CCCN(C)C1 459727047 HBMMQCUBPSFTCG-SOUVJXGZSA-N 238.419 2.909 30 20 BFED C=CCCCCNC(=O)N1C[C@@H](C)[C@@H](C)C1 472867228 DNRGRWIIFCLJTA-TXEJJXNPSA-N 224.348 2.640 30 20 BFED CC#CCCNC(=O)N1CC=C(C(C)(C)C)CC1 483426831 HBPAWKRYXAWIBZ-UHFFFAOYSA-N 248.370 2.788 30 20 BFED C=CCn1cccc1C(=O)N(CC)CC1CC1 488901283 LZHVKNAFBYIIND-UHFFFAOYSA-N 232.327 2.546 30 20 BFED C#C[C@@H](C)N(C)C(=O)[C@@H](C)CC1CCCC1 491415164 GZJYRQLFECYRPI-NWDGAFQWSA-N 221.344 2.683 30 20 BFED C#C[C@@H](CC)NC(=O)Cc1ccc(C)cc1Cl 491690976 CUKZZQCKNKQKCY-LBPRGKRZSA-N 249.741 2.719 30 20 BFED C#C[C@@H](C)N(C)C(=O)/C=C(\C)c1ccccc1 491704890 IHXMQYKLFZAJSO-XZHRJIJLSA-N 227.307 2.570 30 20 BFED C=CCCCCN1C(=O)C[C@](C)(CC)C1=O 516433248 FQYJFGWIGVWLFA-ZDUSSCGKSA-N 223.316 2.518 30 20 BFED CCN(CCC#N)Cc1ccc2cc[nH]c2c1 529520001 IXELSGPMOLLWSV-UHFFFAOYSA-N 227.311 2.903 30 20 BFED Cc1ccc(CCNc2cnccc2C#N)o1 539844341 RTBJWUUDGGOANG-UHFFFAOYSA-N 227.267 2.509 30 20 BFED CC#CCCNC(=O)[C@H](C)CC1CCCC1 544579195 NASROLYEKFZLOJ-GFCCVEGCSA-N 221.344 2.732 30 20 BFED C=CCN(C)C(=O)N[C@@H](C)Cc1ccsc1 548281050 CFXGYEMJECBQDT-JTQLQIEISA-N 238.356 2.507 30 20 BFED C=C(CC)CN(C)[C@H](Cc1ccccc1)C(=O)O 566567441 PSNKFZYSSKRUPX-CQSZACIVSA-N 247.338 2.580 30 20 BFED N#Cc1c(N2C3CCC2CC3)ncc2c1CCC2 571433701 OBYYFGCLUKDMQU-UHFFFAOYSA-N 239.322 2.573 30 20 BFED C=CCCCCCN1CCC[C@H]([C@H](C)O)C1 573776931 DCWZOBSHAJNTOB-KBPBESRZSA-N 225.376 2.826 30 20 BFED C[C@H]1CCC[C@H](N(C)Cc2ccc(C#N)cn2)C1 578079833 DSNZUAPCLAJAQI-WFASDCNBSA-N 243.354 2.964 30 20 BFED CC(C)=CCNC(=O)CCCCCC#N 588165291 UEUMPPYJIJWAAY-UHFFFAOYSA-N 208.305 2.543 30 20 BFED C[C@H]1CCCN(c2cccc(C#N)c2[N+](=O)[O-])C1 590684061 YTYJLJGCZPBTRP-JTQLQIEISA-N 245.282 2.703 30 20 BFED CCC#C[C@@H](C)Sc1ccc(C#N)cn1 591125158 JKLWEODHIDLNDF-SNVBAGLBSA-N 216.309 2.847 30 20 BFED Cc1cc(CN[C@@H]2CCS[C@@H]2C)ccc1C#N 592380811 RECOJKNPIINFNB-BXUZGUMPSA-N 246.379 2.850 30 20 BFED CC[C@H](C#N)C(=O)N[C@@H]1CCc2c(C)cccc21 593450455 KXNHVTBIRCGOPP-BXUZGUMPSA-N 242.322 2.648 30 20 BFED CC[C@H](F)CSc1cccnc1C#N 594451268 HCNJSWSFXADXRB-QMMMGPOBSA-N 210.277 2.793 30 20 BFED Cc1ccc(C#N)nc1NC[C@@]1(C)CCCS1 596164994 ZUKRIDGOQNULAE-CYBMUJFWSA-N 247.367 2.959 30 20 BFED C=CCC1(NC(=O)c2ccc(C#N)[nH]2)CCCC1 598295962 KPTRDPOQOSMSBW-UHFFFAOYSA-N 243.310 2.505 30 20 BFED CCC[C@@H](CNCc1cccc(C#N)c1)OCC 598989950 XERGPKOUOFBIDM-HNNXBMFYSA-N 246.354 2.853 30 20 BFED C[C@H](C1CC1)N(C)C(=O)[C@]1(C#N)CC12CCCC2 600983527 LSNBMTCZNLRYAF-IAQYHMDHSA-N 246.354 2.717 30 20 BFED N#Cc1cc(F)cc(NC(=O)C2[C@@H]3CCC[C@@H]23)c1 601713561 FNNPCVLXGPMZRH-VXGBXAGGSA-N 244.269 2.682 30 20 BFED C[C@@H]1CCCN(Cc2cccc(C#N)n2)CC1 602452854 WADLNJNOEJPAIX-GFCCVEGCSA-N 229.327 2.575 30 20 BFED CC[C@@H](C)[C@H](CN(CC#N)C1CCCC1)OC 602477763 LVPLYMQMKYXQJO-OCCSQVGLSA-N 238.375 2.816 30 20 BFED Cc1ccoc1CNC[C@@H](C)CCC#N 602674483 YJQRMKCFTBMLBC-JTQLQIEISA-N 206.289 2.618 30 20 BFED CCCCc1nc(CN[C@@H](C)CC#N)cs1 602863259 OHZGTUOJGMXVRZ-JTQLQIEISA-N 237.372 2.877 30 20 BFED COCc1cc(C#N)ccc1NC[C@@H]1C[C@@H]1C 603282066 CCDFUHPLUMSEQD-JQWIXIFHSA-N 230.311 2.773 30 20 BFED CCN(CCSC)Cc1ccc(C#N)cc1 604501420 MIUOSJTWICOTTF-UHFFFAOYSA-N 234.368 2.743 30 20 BFED Cc1ccoc1CN1CCC[C@@](C)(C#N)C1 612406643 QUDSSFPXGUDMKA-ZDUSSCGKSA-N 218.300 2.714 30 20 BFED C[C@@H](C#N)CNc1nc(C(C)(C)C)ccc1C#N 613426605 XCBHSWSAPMHLTO-JTQLQIEISA-N 242.326 2.822 30 20 BFED COc1ccc(C)cc1CN[C@@H]1CC[C@@H](C#N)C1 613661393 JGDPEFIXCRGSRJ-TZMCWYRMSA-N 244.338 2.786 30 20 BFED C=CCCC(C)(C)NC(=O)[C@H]1CCCSC1 620856999 IRVPFXASDFHWDE-NSHDSACASA-N 241.400 2.991 30 20 BFED C=CCN(CC=C)C(=O)CCCC1CC1 643225528 QURINADAIKGXDP-UHFFFAOYSA-N 207.317 2.767 30 20 BFED C=CCC1(CN[C@H]2CO[C@@H](C)C2)CCCC1 647216062 SHJGJYZQKFGZPR-QWHCGFSZSA-N 223.360 2.890 30 20 BFED C=CCCCC[C@H](C)N[C@@H](CC)C(=O)O 647467432 DDPOYBPWSUUWCQ-QWRGUYRKSA-N 213.321 2.574 30 20 BFED C=C[C@](C)(CC)C(=O)N1C[C@@H](CC)OC[C@@H]1C 650475948 VHUPCKOACAZCQB-OUCADQQQSA-N 239.359 2.615 30 20 BFED C=CCCNC(=O)NCCc1ccc(C)cc1C 660480916 ZHDZKTQJNRTIQX-UHFFFAOYSA-N 246.354 2.721 30 20 BFED C=CCCCCNC(=O)N[C@H](C)C1CCC1 681164573 OZTXXPDLSORGGT-LLVKDONJSA-N 224.348 2.831 30 20 BFED CCCCCCCN[C@H]1CCOC[C@@H]1OCC 686585415 JRKMEYJWTFRHMF-KBPBESRZSA-N 243.391 2.740 30 20 BFED CC(C)CN(CCC#N)C(=O)[C@@H]1CC=CCC1 701297553 GIJHAORFWRPVNT-CYBMUJFWSA-N 234.343 2.741 30 20 BFED C#C[C@H](NC(=O)c1ccc(C)cc1F)C(C)(C)C 702250900 OHKNRZCJEMWOLA-ZDUSSCGKSA-N 247.313 2.912 30 20 BFED C#C[C@@H](CC)NCCc1cccc(Cl)c1 702934307 VRQPBCBDKIQHBF-ZDUSSCGKSA-N 221.731 2.884 30 20 BFED N#Cc1cc(F)ccc1N1CCC[C@@H](CF)C1 711519961 SPHKSFNDJSBPNH-JTQLQIEISA-N 236.265 2.883 30 20 BFED C#CCCOC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 727041886 NKZIIFLIUVHDAV-VHSXEESVSA-N 248.244 2.922 30 20 BFED C=CCN(CC=C)C(=O)c1ncoc1C(C)C 731967168 WQDSDOSPFZENRB-UHFFFAOYSA-N 234.299 2.612 30 20 BFED C=CC[C@H](NC(=O)N(C)CCC)c1ccncc1 734681323 ZFVHAWLIHZMLFV-ZDUSSCGKSA-N 247.342 2.750 30 20 BFED CCC/C=C/C(=O)[C@@H](C#N)c1nc(C)cs1 735204241 SVQPSCOAKZTEDP-BRAIEQGRSA-N 234.324 2.984 30 20 BFED c1cnnc(NN=C2CCC[C@@H](C3CC3)C2)c1 737435014 YUXLKHRLBMANOT-LLVKDONJSA-N 230.315 2.845 30 20 BFED C=C(C)COC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1 748487262 NQEMXBXWCOUFDZ-WFASDCNBSA-N 248.322 2.660 30 20 BFED CCON=C1CCC2(CCOCC2)CC1 751521331 NYQSIUUTVONYSV-UHFFFAOYSA-N 211.305 2.750 30 20 BFED C=CCC[C@@H](CCC)NC1COC(C)(C)OC1 757697269 ICTWQMPGIRHGOO-GFCCVEGCSA-N 241.375 2.862 30 20 BFED C#CCCCC(=O)Nc1ccc(SC)nc1 757916824 ZFQKIVJCOCVPKK-UHFFFAOYSA-N 234.324 2.546 30 20 BFED CCC(=NNC1CC1)c1ccccc1F 758132477 HDZYVEPIOPIHFN-UHFFFAOYSA-N 206.264 2.692 30 20 BFED C=C(C)COC(=O)c1nc(Cl)ccc1F 758884041 ZMDVIPPWMONSNK-UHFFFAOYSA-N 229.638 2.607 30 20 BFED C=CCCC(=O)COC(=O)C=C1CCCC1 761385101 FWWQHJATBOLREJ-UHFFFAOYSA-N 222.284 2.565 30 20 BFED C#CCCc1noc(-c2ccc(C)c(C)c2O)n1 762012123 UJAXBSNVCUMSEF-UHFFFAOYSA-N 242.278 2.625 30 20 BFED C#CC(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 763225797 UNDXQRGASNVPJB-OAHLLOKOSA-N 241.334 2.937 30 20 BFED C#CCN(c1ccnc(-c2ccccc2)n1)C1CC1 763560701 AKGSRJOVCWBNDF-UHFFFAOYSA-N 249.317 2.746 30 20 BFED C#Cc1cccc(NC(=O)c2cc(C)sn2)c1 766389788 SZOVEJTXJCFDQE-UHFFFAOYSA-N 242.303 2.685 30 20 BFED C#C[C@@H](C)N(C)c1ccc(Cl)cc1[N+](=O)[O-] 767441884 QWIHWPRHDHGPKG-MRVPVSSYSA-N 238.674 2.706 30 20 BFED C#CCN(CC#CC)Cc1cc2ccccc2o1 767898467 GTBJOQNGGPPKCY-UHFFFAOYSA-N 237.302 2.891 30 20 BFED COC1(C(=O)OCCCCC#N)CCCCC1 772446043 IJFLYPXLOSMBFF-UHFFFAOYSA-N 239.315 2.573 30 20 BFED C=Cn1cc(C=NNc2cc(F)cc(F)c2)cn1 773055653 SAHCNGPKWUCHSU-UHFFFAOYSA-N 248.236 2.708 30 20 BFED CCOCCON=C[C@H]1CCC[C@H](C)C1 774431815 FPFYEJNASXDGLP-RYUDHWBXSA-N 213.321 2.852 30 20 BFED C#C[C@@H](C)N(C)Cc1ccc(C)cc1C 775183510 NNNHZONDFPLCSE-CYBMUJFWSA-N 201.313 2.757 30 20 BFED N#CC1(COC(=O)c2coc3ccccc23)CC1 775855813 BWUDJNGRUMNUPW-UHFFFAOYSA-N 241.246 2.893 30 20 BFED Cc1cc(C(=O)OCCC(C)(C)C#N)oc1C 776396988 ZPNBNBJNQMNCJI-UHFFFAOYSA-N 235.283 2.993 30 20 BFED CNC(=S)NN=C1CC(C)(C)CC(C)(C)C1 779751209 BPCJVVHUWDSEMG-UHFFFAOYSA-N 241.404 2.673 30 20 BFED N#CCC1CCN(c2ccnc(Cl)c2)CC1 781679018 WHJSUAFDNUFQTK-UHFFFAOYSA-N 235.718 2.865 30 20 BFED CC(C)(C#N)CCCOC(=O)COC(C)(C)C 784583223 PRBSIJPRCJCZLA-UHFFFAOYSA-N 241.331 2.675 30 20 BFED CCCNN=C(C)c1cnn(C(C)(C)C)c1C 787153891 QQAVOZSMCXMDGC-UHFFFAOYSA-N 236.363 2.670 30 20 BFED CCCC(CCC)=NOC[C@H]1CCOC1 788037856 ZKYOFFXIFVOASU-NSHDSACASA-N 213.321 2.996 30 20 BFED C[C@H](C=NN[C@H]1CCOC1)CCc1ccccc1 788439886 OJLFKTGEPGUPHJ-ZFWWWQNUSA-N 246.354 2.620 30 20 BFED CCCC(CCC)=NNc1nccn1C 790303220 RHEUQFNZYIOBRK-UHFFFAOYSA-N 208.309 2.788 30 20 BFED 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2.515 30 20 BFED C#CCC[C@@H](C)OC(=O)COCc1ccccc1 839035499 XUCTWYHNVYDNFJ-CYBMUJFWSA-N 246.306 2.548 30 20 BFED Cc1nc(C)c(C(=O)O[C@H]2CCC[C@@H](C#N)C2)o1 839055240 XKJASYIOBCJTNG-MNOVXSKESA-N 248.282 2.531 30 20 BFED C1CC[C@@H]2CC(=NN3CCOCC3)CC[C@@H]2C1 839385084 NCSTZKJAMZENST-QWHCGFSZSA-N 236.359 2.665 30 20 BFED C#CCCCCC(=O)N1CC[C@H](C2CCC2)C1 839949634 UADIMXBUKQQMJG-AWEZNQCLSA-N 233.355 2.829 30 20 BFED C=CCCCC(=O)Oc1cccc(OCC#N)c1 841345810 OZGHYLJFZKVWSP-UHFFFAOYSA-N 245.278 2.851 30 20 BFED CCC(=NN(C)C(=S)NC)C1CCCCC1 841647621 WXJJWIJHGMSCOF-UHFFFAOYSA-N 241.404 2.769 30 20 BFED CCN(CCO)N=C1CCC[C@H]1CCC(C)C 842535983 ZPUPDURXJYJHNJ-ZDUSSCGKSA-N 240.391 2.893 30 20 BFED C#CCCCCC(=O)OCC1(OCC)CCC1 851553890 DFXLFQRMZFECRL-UHFFFAOYSA-N 238.327 2.682 30 20 BFED C[C@H]1C[C@@H]1C=NNc1ccnc(Cl)c1 853394994 HEYCPXLCXPPWAQ-JGVFFNPUSA-N 209.680 2.789 30 20 BFED CC(=NOCC1CCC1)c1cc(N)ccc1F 853440314 CYVYZROFOFOHBG-UHFFFAOYSA-N 236.290 2.949 30 20 BFED C#Cc1cccnc1N1CC[C@@H](C)[C@H](C)C1 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2.931 30 20 BFED CN(CCC#N)CCCSC(C)(C)C 878174867 ILKDLSQCAFUWNF-UHFFFAOYSA-N 214.378 2.754 30 20 BFED C=CCCCNC(=O)c1cnc(C(C)C)nc1C 879820137 YSGNLAYSJNRZIH-UHFFFAOYSA-N 247.342 2.604 30 20 BFED C=CC(C)(C)CC(=O)N1CC[C@H]1C(C)C 880221250 MGJKJSYPEWWWJZ-NSHDSACASA-N 209.333 2.846 30 20 BFED C=CCCCN1CCN(c2ccncc2)C[C@@H]1C 887133266 XUGQZHMQYPRCEK-AWEZNQCLSA-N 245.370 2.558 30 20 BFED C=CC(C)(C)CC(=O)Oc1ccc2c(c1)OCO2 887595021 JBPNHIKONOPYOM-UHFFFAOYSA-N 248.278 2.923 30 20 BFED CCc1ccc(NC(=O)C(C#N)(CC)CC)nc1 893961848 WBGQWTBLDNPSHY-UHFFFAOYSA-N 245.326 2.912 30 20 BFED C=CCC[C@H](C)NCc1ccc2nonc2c1 897990963 HYJUDEAZRKEVJS-JTQLQIEISA-N 231.299 2.667 30 20 BFED C=C1CCN(C(=O)/C(F)=C(/C)C2CC2)CC1 900585276 LLQZTEYRUJYIGG-ZRDIBKRKSA-N 223.291 2.819 30 20 BFED CC(C)n1nccc1/C=C\c1nc(C#N)cs1 901544367 PLZZUCQODIGYEJ-ARJAWSKDSA-N 244.323 2.963 30 20 BFED CC(C)[C@@H](NCC1(C#N)CCC1)C1CC1 903030430 BCTGSHIVGPPIOI-GFCCVEGCSA-N 206.333 2.704 30 20 BFED CCCCN(O)C(=O)[C@@H]1C[C@H]1c1cccc(O)c1 904214794 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239.359 2.918 30 20 BFED CN(Cc1cccs1)c1ncccc1C#N 12811133 PCNXDRVYSYINSN-UHFFFAOYSA-N 229.308 2.651 30 20 BFED CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(C#N)c1 42414942 IDWTUIQZBXXQMP-GHMZBOCLSA-N 230.311 2.723 30 20 BFED C=CCN(Cc1cccs1)C[C@@H]1CCOC1 47699114 UISCOXSLHQFDET-LBPRGKRZSA-N 237.368 2.773 30 20 BFED N#CCCCNCc1ccc(F)c(Cl)c1 53156904 RHARAHXSJUQYNH-UHFFFAOYSA-N 226.682 2.872 30 20 BFED C[C@@H](C#N)CN(C)Cc1ccc(F)cc1F 54918213 MOJYCWMDSWLJMC-VIFPVBQESA-N 224.254 2.556 30 20 BFED CCOC(=O)CCSCc1ccccc1C#N 58239549 KRQGVCBYCUNSQI-UHFFFAOYSA-N 249.335 2.745 30 20 BFED Cc1noc(C)c1CSCCCC#N 58263115 MYYCMTPTIYNLPK-UHFFFAOYSA-N 210.302 2.828 30 20 BFED CCc1nc(CN(CC)C[C@@H](C)C#N)cs1 64248627 UWLOZVROGIQPFV-JTQLQIEISA-N 237.372 2.687 30 20 BFED C=C(C)CN1CCN(C)c2ccccc2C1 69089514 XIMRVZIACRLEOL-UHFFFAOYSA-N 216.328 2.515 30 20 BFED C=CCSCC(=O)N1[C@H](C)CCC[C@H]1C 71552802 MRTFVLYMJMHTIX-GHMZBOCLSA-N 227.373 2.695 30 20 BFED C#CCN1C[C@H](C)C[C@@H]1c1ccccc1F 75900763 IJYKETGQHFQNOI-BXUZGUMPSA-N 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223.703 2.808 30 20 BFED CC(C)CC1CCN(C(=O)C(C)(C)C#N)CC1 760935249 MKDCEPSQVXFROB-UHFFFAOYSA-N 236.359 2.821 30 20 BFED CCC[C@@H](C)c1noc(-c2cc(C#N)c[nH]2)n1 761846128 SFQPTEOJSKNLFZ-MRVPVSSYSA-N 230.271 2.840 30 20 BFED CCCCCCCOC(=O)[C@H]1C[C@@]12CCOC2 764644564 DPEWTCIUXNGQAK-TZMCWYRMSA-N 240.343 2.927 30 20 BFED C=CCCCC(=O)OCCc1csc(C)n1 767650862 KTSHNLYDXYNHFG-UHFFFAOYSA-N 239.340 2.894 30 20 BFED C#CCOC(=O)c1ccccc1C(C)(C)C 771432794 QVKUHTBSHDTSIV-UHFFFAOYSA-N 216.280 2.774 30 20 BFED C#CC[C@@H](N[C@H](C)COCC)c1ccccc1 773116044 PHMXBGYYWVKUHP-UKRRQHHQSA-N 231.339 2.766 30 20 BFED C=CCOC(=O)c1cc(C)c(OC)c(C)c1 773650336 WBXDBYQGRUEASL-UHFFFAOYSA-N 220.268 2.655 30 20 BFED C(=NOC1CCOCC1)[C@H]1C[C@@H]1c1ccccc1 774431213 JRLIYEWGKWOJGF-UKRRQHHQSA-N 245.322 2.972 30 20 BFED CC(=NOC1CCOCC1)c1cccc(C)c1 774444795 OUESWOYERQZJMH-UHFFFAOYSA-N 233.311 2.915 30 20 BFED CCC[C@H](C)CC(=O)OCC1(C#N)CC1 775854224 NNQUMKRLFJLDMA-JTQLQIEISA-N 209.289 2.660 30 20 BFED CC(C[C@@H]1CCOC1)=NOCCC(F)(F)F 777459029 GDHMZKQCOLNNCG-VIFPVBQESA-N 239.237 2.758 30 20 BFED COc1ccc(C=NNc2ccccc2)cn1 780186925 QFAHDFFUOCVMLE-UHFFFAOYSA-N 227.267 2.536 30 20 BFED C#CCCCCCC(=O)Nc1nocc1C 780656542 DAEGUYGOSUMKCB-UHFFFAOYSA-N 220.272 2.505 30 20 BFED C=C[C@@](C)(CC)C(=O)OCCCC(=O)CC 785752724 FUWICILVRAXQLA-ZDUSSCGKSA-N 226.316 2.891 30 20 BFED CCOCCC=NNc1ccc(F)cc1F 788409115 PISMZCRYURWJFF-UHFFFAOYSA-N 228.242 2.789 30 20 BFED CC(=NN[C@H]1CCOC1)c1csc(Cl)c1 788448731 UXGGGCZJJLDBJX-VIFPVBQESA-N 244.747 2.504 30 20 BFED Cc1ncc(C=NNc2ncccc2C)s1 790187583 XXILZPKKXXKSFL-UHFFFAOYSA-N 232.312 2.601 30 20 BFED C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1ccnn1C 791919110 AGCFDIMGWVXEAC-GWCFXTLKSA-N 236.315 2.627 30 20 BFED N#Cc1ccc(C(=O)OCCCCCF)s1 791990891 LSMVEVFFWIOVIK-UHFFFAOYSA-N 241.287 2.916 30 20 BFED CCOc1cccc(C=NOC[C@@H](C)CC)n1 793160702 WXYVCUIBYFIKAC-NSHDSACASA-N 236.315 2.877 30 20 BFED CCc1ccc(C=NNCCC(F)(F)F)o1 794551803 SWXVFLAMBGFTAM-UHFFFAOYSA-N 234.221 2.718 30 20 BFED C=CC[C@@H](NC1CCC(O)CC1)c1ccncc1 796773021 WDKMAWDFGPTNKL-YMAMQOFZSA-N 246.354 2.592 30 20 BFED C=CCOCCOC(=O)C1=CCCCCC1 797309843 MPHSGRNIYMHYRO-UHFFFAOYSA-N 224.300 2.623 30 20 BFED CC(C)C[C@@H](C)COC(=O)C1(C#N)CCC1 798624638 ZXGLGHNIJZTDKG-LLVKDONJSA-N 223.316 2.906 30 20 BFED C=CC[C@@H](CC)NC(=O)Nc1cc(C)ns1 799219042 KNYQELBNVAYSIR-SECBINFHSA-N 239.344 2.928 30 20 BFED Cc1ccc(C(=O)N(C)[C@@H](C)C2CC2)cc1C#N 799302317 GXZWJIVMRBOKDV-NSHDSACASA-N 242.322 2.737 30 20 BFED COc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1OC 799720469 INAXTGALUMITNZ-WDEREUQCSA-N 246.310 2.808 30 20 BFED C#Cc1cc(F)c(NCCC(C)(C)O)c(F)c1 802745892 SFXXAGJNXNWAGP-UHFFFAOYSA-N 239.265 2.519 30 20 BFED C(=NN[C@@H]1CCSC1)c1cccc2[nH]ccc12 808002699 CHYKROAHTABAPX-LLVKDONJSA-N 245.351 2.597 30 20 BFED C#C[C@H](NC(=O)N[C@@H](C)[C@@H](C)CC)C(C)(C)C 808243964 LVFRSOJKNPMFJL-SRVKXCTJSA-N 238.375 2.768 30 20 BFED C#Cc1ccc(CN[C@H](C)c2cccnc2)cc1 809424024 CRRWFTIXYYSIQE-CYBMUJFWSA-N 236.318 2.914 30 20 BFED C#Cc1ccc(CN[C@@H]2C[C@@H](OC)C2(C)C)cc1 809624024 DNSVDNXQZPZGBT-HUUCEWRRSA-N 243.350 2.571 30 20 BFED C=CCCCOC(=O)[C@@H]1CCCSC1 810604476 TWKVFWXNRWTJOL-SNVBAGLBSA-N 214.330 2.639 30 20 BFED CC(C)CON=C1CCc2ccc(C#N)cc21 811645784 XIHLZIJRILEBBU-UHFFFAOYSA-N 228.295 2.881 30 20 BFED CC[C@H](O)CNN=C1CCC[C@@H](CC(C)C)C1 811656771 VUNJQKRQZRFSRH-JSGCOSHPSA-N 240.391 2.939 30 20 BFED CON=C1CC(c2cc(F)cc(F)c2)C1 814795749 MBCLQMNKZCSTFB-UHFFFAOYSA-N 211.211 2.845 30 20 BFED Cc1cccnc1NN=C1CC(OC(C)C)C1 814911974 XYVIBJWGMRLOCX-UHFFFAOYSA-N 233.315 2.745 30 20 BFED C=CCC(F)(F)C(=O)O[C@H]1CC[C@@H](C)C1 815314205 JVVDXEKXHPAJIV-BDAKNGLRSA-N 218.243 2.930 30 20 BFED C[C@H](C(=O)OCCCCC#N)C(C)(F)F 815487743 MOONXLMDFPUQDD-MRVPVSSYSA-N 219.231 2.515 30 20 BFED C=C(Br)CNc1nnc(C(C)C)o1 827467809 FERFUFNABOJNCP-UHFFFAOYSA-N 246.108 2.514 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@@H](C#N)C1CCCC1 829371377 VVQULUFAVZAOGW-AAEUAGOBSA-N 234.343 2.787 30 20 BFED CCCn1cccc1C=NN[C@H](C)C(F)(F)F 834997072 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C[C@@H]1C[C@H]1C=NNc1ccc([N+](=O)[O-])cc1F 853396271 CUQZIFJMPIMBTQ-SFYZADRCSA-N 237.234 2.788 30 20 BFED C=CCCCCCCNc1c(C#N)cnn1C 853621912 NBUOFDZSMFTXII-UHFFFAOYSA-N 232.331 2.840 30 20 BFED C#C[C@](C)(CC)NC(=O)C[C@H](C)CCC 854696924 QHAKRRRWKGYIIT-DGCLKSJQSA-N 209.333 2.731 30 20 BFED CCN(C(=O)OCCc1ccccc1)[C@H](C)C#N 859227462 GDRZPSZLICOTFI-GFCCVEGCSA-N 246.310 2.600 30 20 BFED C=CCCCCCOC(=O)c1cn(C2CC2)nn1 860030158 KJMKUXOMXSTJRQ-UHFFFAOYSA-N 249.314 2.516 30 20 BFED CC(CC(C)(C)C#N)=NN=c1cc[nH]c(C)c1 863161034 VXENUERIZNNHJZ-UHFFFAOYSA-N 230.315 2.540 30 20 BFED CCCCNN=Cc1cccc2ncccc12 872343024 KKHZJYFLUFIJOV-UHFFFAOYSA-N 227.311 2.958 30 20 BFED C=CC1CCN(C(=O)N[C@@H]2CC23CCC3)CC1 873258546 RUNKBAYYUVCRPP-GFCCVEGCSA-N 234.343 2.537 30 20 BFED C=CC(C)(C)CC(=O)N1CC[C@H](C)[C@H]1C 879082075 WIKJWJTVLPDLIC-WDEREUQCSA-N 209.333 2.846 30 20 BFED C=CC(C)(C)CC(=O)N[C@H](C)c1nccn1CC 880191822 QXYGFPLUQJCBMF-LLVKDONJSA-N 249.358 2.683 30 20 BFED C=CC(C)(C)CC(=O)N[C@H]1CCC[C@@H]2C[C@H]12 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245.370 2.551 30 20 BFED CC1(C)[C@@H](NCCCCC2(C#N)CCC2)C[C@H]1N 903782981 UZJVKCOPVBLQSP-OLZOCXBDSA-N 249.402 2.566 30 20 BFED C=C(Cl)CN(C)c1cccc(CC(=O)O)c1 903952055 JOPXAXWGWVVIEA-UHFFFAOYSA-N 239.702 2.502 30 20 BFED N#Cc1ccc(OC(=O)[C@@]23CCC[C@@H]2C3)c(F)c1 903990344 LIFKTIRKQUYKOR-QMTHXVAHSA-N 245.253 2.793 30 20 BFED C#CCN(C(=O)C1(F)CCCCC1)C(C)C 928624522 CNXFBLWCUIGFSS-UHFFFAOYSA-N 225.307 2.529 30 20 BFED CCC#C[C@H](C)N1CCC(c2ncco2)CC1 931445713 CDZXBSXYKVNOOE-LBPRGKRZSA-N 232.327 2.656 30 20 BFED C=CCCCCNC(=O)[C@@H](C)c1cccc(O)c1 935438177 MHWQETSDRZXJEU-LBPRGKRZSA-N 247.338 2.968 30 20 BFED C=C(C)[C@H](Cc1nnc(C2CCC2)o1)OCC 1261569238 YQLYJMPHSRVQAS-NSHDSACASA-N 236.315 2.861 30 20 BFED CC(C)N1CC(=NOC(C)(C)C)[C@H](C)C1 1319803870 JEZPCCBQSSQTCS-SNVBAGLBSA-N 212.337 2.518 30 20 BFED C=C[C@H](COC)N[C@H](C)c1cccc(OC)c1 1321240377 FBLXILCBOFGJMI-DGCLKSJQSA-N 235.327 2.547 30 20 BFED C=C[C@@H](COC)NC(=O)CCCCCC(C)C 1321254844 FMHYXFFOCOJXQM-ZDUSSCGKSA-N 241.375 2.910 30 20 BFED C=CCC[C@H](CO)Nc1nc2cccc(C)c2o1 1324721309 PKEWJIIVHHETQJ-LLVKDONJSA-N 246.310 2.875 30 20 BFED C=C1CCN(C(=O)c2ncc(Cl)s2)CC1 1326819445 PBQARPNOJFEZBT-UHFFFAOYSA-N 242.731 2.589 30 20 BFED C[C@H](CC#N)Nc1cc(C2CC2)nc(C2CC2)n1 1336698488 SPMLOWNPWLHKSA-SECBINFHSA-N 242.326 2.945 30 20 BFED CCn1ccnc1[C@H](C#N)C(=O)CCC(C)C 1345647430 YFKGZKRBBJARQO-LLVKDONJSA-N 233.315 2.515 30 20 BFED C=C(CC)C(=O)N[C@H]1C[C@H]1Cc1ccccc1 1346522893 FSIDYZMBQCJZMF-KGLIPLIRSA-N 229.323 2.700 30 20 BFED CCCCC(=O)OCc1ccc(C#N)s1 1346541453 QNRBUAJDILKKNJ-UHFFFAOYSA-N 223.297 2.853 30 20 BFED C=C(CC)C(=O)N[C@@H]1CCC[C@H]1SCC 1521177988 SBVIGWHEUKHXQM-GHMZBOCLSA-N 227.373 2.743 30 20 BFED Cc1ccc(N2CCC[C@H]2C2CC2)nc1C#N 1548510093 OOLOIKKJMLTMRB-ZDUSSCGKSA-N 227.311 2.641 30 20 BFED CC(C)(C#N)CCCCNC(C)(C)CC(=O)O 1589553507 BYUUXHSFJGSHPC-UHFFFAOYSA-N 240.347 2.549 30 20 BFED Cc1cc(N2Cc3ccccc3C2)ncc1C#N 1655101013 FOSFRTAYISKBLQ-UHFFFAOYSA-N 235.290 2.782 30 20 BFED C=CCNC(=O)N[C@@H](CC)c1ccc(OC)cc1 22382770 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C[C@@H](CC#N)NC(=O)c1cccc(F)c1Cl 79813116 DIPAHZYVTHNIKG-ZETCQYMHSA-N 240.665 2.511 30 20 BFED N#Cc1ccc(C[S@@](=O)C2CCCC2)cc1 84266842 XLLRYWJDVGFRFC-INIZCTEOSA-N 233.336 2.750 30 20 BFED C=CCOC(=O)c1cc(Cl)c(Cl)[nH]1 97150371 VVGASLNILSFHOH-UHFFFAOYSA-N 220.055 2.664 30 20 BFED CCc1cc(C(=O)N[C@@H](C#N)C2CC2)sc1C 108843139 IBSWMCSIFVCLIT-NSHDSACASA-N 248.351 2.651 30 20 BFED C=CC1CCN(Cc2cn3ccccc3n2)CC1 111256485 XRJGRRDBCBRNCD-UHFFFAOYSA-N 241.338 2.732 30 20 BFED CCCCCCCCOC(=O)c1ncccn1 114453496 PEFXVDXSKGTUNI-UHFFFAOYSA-N 236.315 2.994 30 20 BFED CC[C@@H](C#N)NC(=O)C[C@H](C)c1ccccc1C 116185902 JEBMRXKACQSCGJ-STQMWFEESA-N 244.338 2.907 30 20 BFED CCN(CCCSCC#N)Cc1ccccn1 119834284 BQFWEFXFEGUBMW-UHFFFAOYSA-N 249.383 2.550 30 20 BFED Cc1cccc(C(=O)N[C@](C)(C#N)C(C)C)c1C 120664656 LSHIVFAVAOYCFS-OAHLLOKOSA-N 244.338 2.972 30 20 BFED C=CC[C@H](C)N[C@@H]1CCOC2(CCC2)C1 122272623 PCHDOCJBHCZXCL-NWDGAFQWSA-N 209.333 2.642 30 20 BFED CC1CC(C#N)(C(=O)Nc2ccc(F)cc2)C1 122304968 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C#CCCCOc1cc(C)ccc1C(C)=O 161032434 KUTSUJUECHSRRH-UHFFFAOYSA-N 216.280 2.990 30 20 BFED C=C(Cl)CN[C@@H]1C[C@@H](OCC)C1(C)C 162587342 DYUFOUCAAXUIQH-NXEZZACHSA-N 217.740 2.532 30 20 BFED Cc1cc(C)cc(N/C(N)=N/Cc2ccoc2)c1 170904450 LAHPRIYBEFEYMM-UHFFFAOYSA-N 243.310 2.823 30 20 BFED C#CCCCNC(=O)[C@@H](c1ccccc1)C(C)C 172940498 SQJSRFAPRGBCPM-OAHLLOKOSA-N 243.350 2.956 30 20 BFED C=CCCCC(=O)N[C@@H]1C[C@](C)(OC)C1(C)C 176275848 MHEVDBCMIATOQR-RISCZKNCSA-N 239.359 2.663 30 20 BFED C=C(C)CN(C)Cc1nnc(-c2ccccc2)o1 181288821 HIBZYZCHNAEBPC-UHFFFAOYSA-N 243.310 2.745 30 20 BFED Cc1cc(CNC[C@H](C)C#N)ccc1Cl 183818642 VMYWSVLHJSZERD-SECBINFHSA-N 222.719 2.898 30 20 BFED CC[C@@H](C#N)Sc1ccccc1C#N 187891600 XWRMDNUTSJKOGU-JTQLQIEISA-N 202.282 2.953 30 20 BFED C#CCCCC(=O)NCC1(CCC)CCC1 192152066 BHSZJGGFMVXJMN-UHFFFAOYSA-N 221.344 2.877 30 20 BFED C=CCCCCCN[C@@H](COC)C1CC1 193537757 OBEPORMTOAXORF-ZDUSSCGKSA-N 211.349 2.747 30 20 BFED C=CCSCCNC(=O)c1ccc(C)s1 194502618 KTZQOCOIOFCGDA-UHFFFAOYSA-N 241.381 2.706 30 20 BFED CC1CC(C#N)(C(=O)NC[C@H]2CCC[C@H](C)C2)C1 229610720 KJZRWUAZMMQDRP-SDFYHXNISA-N 248.370 2.869 30 20 BFED C=CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] 236142495 MESWEEQDJZTZCF-UHFFFAOYSA-N 247.176 2.607 30 20 BFED N#C[C@@]1(c2cccc(Cl)c2)CCOC1 238549206 VVWWSGYRRIJOKS-NSHDSACASA-N 207.660 2.522 30 20 BFED C[C@H](C#N)CN[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 251101190 NAQGMWDPXIRRLB-IZMFDJJNSA-N 218.344 2.560 30 20 BFED CC[C@H](C#N)C(=O)NCC(C)(C)c1ccccc1 258650190 AQNZSUMAXKPVMC-GFCCVEGCSA-N 244.338 2.630 30 20 BFED CC[C@@H](C#N)C(=O)NCCc1ccc(C)cc1C 258732459 IYGXTRFDVGHBNB-ZDUSSCGKSA-N 244.338 2.512 30 20 BFED N#C[C@H](NC(=O)c1ccccc1F)C1CCCC1 260164201 VSRUCGNHCATWGF-ZDUSSCGKSA-N 246.285 2.638 30 20 BFED CC(C)[C@]1(C)C[C@@H]1/N=C(\N)N1CCCCCC1 263089254 IRFTWEILCNYYEJ-JSGCOSHPSA-N 237.391 2.612 30 20 BFED C=CCOc1cccc(CNC2CCC2)c1 264508681 JQJZVMBQDLBPDQ-UHFFFAOYSA-N 217.312 2.894 30 20 BFED CC1(C)CCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 274226569 CVPFCIQDQKOMLC-UHFFFAOYSA-N 245.282 2.703 30 20 BFED N#Cc1nc(N2CCC=C(F)C2)ccc1Cl 274337033 XSTJAFIPQQCNOK-UHFFFAOYSA-N 237.665 2.670 30 20 BFED C=C[C@@](C)(CC)C(=O)N(C)CC(F)(F)F 276154600 PLTLCIARSNILIK-VIFPVBQESA-N 223.238 2.609 30 20 BFED C=CCCN(C)C(=O)c1cc(Cl)c(Cl)[nH]1 276334823 FEMACFJKMUKKRP-UHFFFAOYSA-N 247.125 2.970 30 20 BFED C=CCCN(C)CCC(=O)c1ccccc1 276460182 QNBTYSYSCDGBQZ-UHFFFAOYSA-N 217.312 2.767 30 20 BFED C=CCC1(C(=O)Nc2c(C)noc2C)CCC1 276740924 KOKAIBAZNLNMRD-UHFFFAOYSA-N 234.299 2.976 30 20 BFED C=CCCCCCSCC(=O)N(C)CC 278275191 FMEJATXANWGCFY-UHFFFAOYSA-N 229.389 2.944 30 20 BFED Cc1ccc([C@@H]2C[C@H](C)N(C(=O)CC#N)C2)cc1 279084354 SXENGHIYPADPTI-GXTWGEPZSA-N 242.322 2.613 30 20 BFED C=CC[C@H](CC)NC(=O)Nc1ccc(F)cn1 281938331 LCQURUDERYIZDU-JTQLQIEISA-N 237.278 2.697 30 20 BFED C=C(C)CCc1noc(-c2cccnc2C)n1 285181733 RBHVMVQWVGHGEM-UHFFFAOYSA-N 229.283 2.949 30 20 BFED C#Cc1ccc(CNCC2(SC)CC2)cc1 289521492 DRQIPVIORBVPBZ-UHFFFAOYSA-N 231.364 2.653 30 20 BFED Cc1cccc(C)c1NC(=O)CCCC#N 291276570 YJFPUDRVXMAGES-UHFFFAOYSA-N 216.284 2.936 30 20 BFED CCC(CC)(CNc1nc(C)ccc1C#N)OC 292313605 OLLGQUZMUVFGPC-UHFFFAOYSA-N 247.342 2.879 30 20 BFED N#Cc1cnc(N2CCC[C@H]2CF)c(Cl)c1 292644884 BGSNEBMDKBMBLG-VIFPVBQESA-N 239.681 2.545 30 20 BFED CC(C)(C#N)CCN1C[C@H](CO)c2ccccc21 292827271 YNNAZNQYBHXOLB-GFCCVEGCSA-N 244.338 2.522 30 20 BFED Cc1nc(C(C)C)ccc1C(=O)NCCCC#N 293409720 HIOLGRDJYJUWJC-UHFFFAOYSA-N 245.326 2.547 30 20 BFED N#Cc1ccc(NCC2=CCCCC2)nc1 294942998 LSVKRRNUYXTDHS-UHFFFAOYSA-N 213.284 2.866 30 20 BFED C=CCCc1noc(-c2scnc2CC)n1 297315095 NBLHCXUJQMNMCI-UHFFFAOYSA-N 235.312 2.874 30 20 BFED C#C[C@@H](C)Nc1nc(-c2ccccc2)ns1 302415548 NENJKECSBDLRIF-SECBINFHSA-N 229.308 2.639 30 20 BFED C[C@@H](C#N)OCCOc1ccc(F)cc1Cl 304198579 BTINNIRFPPBPJF-QMMMGPOBSA-N 243.665 2.787 30 20 BFED C[C@@H]1CCCN(/C(N)=N/CC2(C)CCCC2)C1 304740961 BYORQYDUKUDIPR-GFCCVEGCSA-N 237.391 2.613 30 20 BFED C=C(Br)CN1C[C@H]2CC=CC[C@H]2C1 306594321 FOLPBJNYLPMXGH-PHIMTYICSA-N 242.160 2.793 30 20 BFED CON=Cc1ccc(F)cc1Br 307964741 BGUZNPGXBAJBGY-UHFFFAOYSA-N 232.052 2.569 30 20 BFED CCc1nc(C#N)cc(NC[C@@H]2CCC[C@H]2C)n1 308171128 RHCOKXVAXCYDNQ-MNOVXSKESA-N 244.342 2.759 30 20 BFED C=CCN(C[C@@H]1CC1(Cl)Cl)C1CC1 308197570 UMERXPVXOGFXBO-QMMMGPOBSA-N 220.143 2.831 30 20 BFED CSCCON=CC1(SC)CCC1 308301375 KRMVKLCKVCWNOF-UHFFFAOYSA-N 219.375 2.638 30 20 BFED CC[C@@H](CC#N)NC(=O)CCC(C)(C)C 308742199 WTNAMNASQGGPKJ-JTQLQIEISA-N 210.321 2.621 30 20 BFED C=CCCCCN[C@@H](C)[C@@H]1CCCOC1 309160237 YQXSQQDPOGMJOY-QWHCGFSZSA-N 211.349 2.747 30 20 BFED N#Cc1ncccc1N1C[C@H]2CCCC[C@@H]2C1 310376324 ZZUJPOYSBXVMST-VXGBXAGGSA-N 227.311 2.580 30 20 BFED C=CCC[C@H](CO)NC1CCCCCC1 320113039 HEMSLSZVZWTQPV-CYBMUJFWSA-N 211.349 2.626 30 20 BFED C=CCC[C@@H](CO)NCc1cccc(C2CC2)c1 320304204 UBGFXVOWCARPLL-INIZCTEOSA-N 245.366 2.981 30 20 BFED CC[C@H](CCC#N)c1cccc(C(=O)OC)n1 328578638 REGVZYDQTNYDSR-SNVBAGLBSA-N 232.283 2.666 30 20 BFED C[C@H]1OCC[C@@H]1C(O)=Nc1cccc(C2CC2)n1 329278876 LJHVTWVCXNLARY-KOLCDFICSA-N 246.310 2.972 30 20 BFED CC[C@H]1OCCC[C@@H]1C(O)=Nc1ccnnc1C 330232325 FKILAZOENFHLPX-CMPLNLGQSA-N 249.314 2.578 30 20 BFED N#C[C@@H]1CCC[C@@H]1NC(=O)CCCC(F)(F)F 330636986 NPXUHZXTNBAUIB-IUCAKERBSA-N 248.248 2.527 30 20 BFED C[C@@H](C#N)C(=O)N1CCC[C@H]1c1cccs1 334323310 JNBAZEZHCWUBJP-UWVGGRQHSA-N 234.324 2.571 30 20 BFED Cc1ccc(C#N)c(N[C@@H]2CCC[C@@H]2F)n1 334407742 RLMGLNJHOFXBSU-WDEREUQCSA-N 219.263 2.564 30 20 BFED C[C@H]1CCCN1Cc1ccc(CC#N)cc1 335110777 PWTINPNKFYRYNI-LBPRGKRZSA-N 214.312 2.737 30 20 BFED C[C@]1(Cc2cccc(F)c2)CCCN1CC#N 335397445 XODYNHFBYMHVBV-CQSZACIVSA-N 232.302 2.746 30 20 BFED CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC(C)(C)C1 336076761 YJYYKHYCKGETQZ-GFCCVEGCSA-N 245.326 2.537 30 20 BFED CC[C@H]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 336201273 FZCDANUXSQFQIM-WFASDCNBSA-N 246.354 2.719 30 20 BFED C=C1CCN(C(=O)[C@@H]2CCC[C@@H]2CC)CC1 336246935 JEEWJBDXLDRQEO-QWHCGFSZSA-N 221.344 2.991 30 20 BFED C=C[C@@H](C)Nc1ncc(Cl)c(C)c1C#N 336766017 RTRDLOYBOBPCMZ-SSDOTTSWSA-N 221.691 2.902 30 20 BFED C=CCOCCN(CC=C)Cc1cccs1 338882605 CFGSSVCXPOOWDO-UHFFFAOYSA-N 237.368 2.939 30 20 BFED CC#CCN(C)C(=O)C[C@@H]1CCC[C@H](C)C1 341059925 YKWYPJFNUPTDIS-QWHCGFSZSA-N 221.344 2.685 30 20 BFED C[C@H](CC1CC1)NC(=O)c1ccc(F)c(C#N)c1 341149908 OPRTUBLBLYAQCB-SECBINFHSA-N 246.285 2.616 30 20 BFED CC#CCCCC(=O)Nc1cnc(C)s1 341472427 ARIHGXHTYKBIIL-UHFFFAOYSA-N 222.313 2.584 30 20 BFED CSCCN(C)Cc1ccc(CC#N)cc1 343529704 CBLKIDWDUGJRHE-UHFFFAOYSA-N 234.368 2.547 30 20 BFED C=CCOCc1nc(-c2ccccc2C)no1 349861483 FFXRQZFQRISNPW-UHFFFAOYSA-N 230.267 2.748 30 20 BFED C=CCC(C)(C)C(=O)N(C)[C@@H]1CC1(C)C 351660246 BIWBKACTHGJDFT-SNVBAGLBSA-N 209.333 2.846 30 20 BFED CCCN(CC#N)C(=O)c1cccc2c1CCC2 353009948 SIHMDBRNYNVICR-UHFFFAOYSA-N 242.322 2.551 30 20 BFED Cc1ccc(C(C)(C)NCC2(C#N)CC2)cn1 353578867 FLBIHBWHDJRYLI-UHFFFAOYSA-N 229.327 2.519 30 20 BFED C=CCOCC(=O)N(CC)c1cc(C)ccc1C 354580700 OKGAUVVKSUOMPR-UHFFFAOYSA-N 247.338 2.859 30 20 BFED C=CCOCC(=O)N(C)CCC1CCCCC1 354825756 HCSCUXQOTTUHJC-UHFFFAOYSA-N 239.359 2.618 30 20 BFED C=CCCCN(C)C(=O)CC1CCC(=O)CC1 356034807 DQESNOKHBHTSBH-UHFFFAOYSA-N 237.343 2.560 30 20 BFED C=C(CC)CS[C@@H](C)C(=O)NCC(C)C 358632657 ATWYUSOWUUBWLP-NSHDSACASA-N 229.389 2.847 30 20 BFED CCCN(CC#N)C(=O)[C@@H]1CCC(C)(C)C1 358874411 LRJCUTGYGMHEFC-LLVKDONJSA-N 222.332 2.575 30 20 BFED CC[C@H]1CCCC[C@@H]1NC(=O)CCCC#N 360007123 OSNVYXRDJNWYQO-RYUDHWBXSA-N 222.332 2.765 30 20 BFED C#CCCCNC(=O)N1CC[C@H](C)C2(CCC2)C1 378419046 GKTGDLVGNNMTTM-ZDUSSCGKSA-N 248.370 2.622 30 20 BFED C=CCC(C)(C)CN[C@H](CC)[C@H]1CCOC1 379959608 BVURKTMHLNKHAY-QWHCGFSZSA-N 225.376 2.993 30 20 BFED C=CCN(Cc1cc(C(=O)O)oc1C)C(C)C 383653691 QPQHWSORDHTOOA-UHFFFAOYSA-N 237.299 2.683 30 20 BFED CC(C)(CN=c1ccc(C#N)c[nH]1)C1CCC1 384831522 FMMRWSYGWTZITP-UHFFFAOYSA-N 229.327 2.613 30 20 BFED CSCCC=NOCCC(F)(F)F 388264293 CELRTMBORLPFLX-UHFFFAOYSA-N 215.240 2.694 30 20 BFED C#C[C@H](NCc1ncc(CC)s1)C(C)(C)C 393743226 JKCOCWOMKBTBOF-NSHDSACASA-N 236.384 2.843 30 20 BFED CC[C@H](NCC(C)(C)C#N)[C@H]1CC1(C)C 397748192 BKIOKQUYWKKRSS-MNOVXSKESA-N 208.349 2.950 30 20 BFED C#C[C@H](NC(=O)CC(C)(C)C1CC1)C(C)C 405801779 KHMSTRBJYUCZRR-LBPRGKRZSA-N 221.344 2.587 30 20 BFED Cc1ccc(-c2cc(C#N)ncn2)cc1C 409436526 FFNBDRQDYVXZDC-UHFFFAOYSA-N 209.252 2.632 30 20 BFED C=CCCCCNC(=O)[C@@H](C)CC(F)F 412250865 FHCZLLTUSDQJRS-VIFPVBQESA-N 219.275 2.750 30 20 BFED C=CC[C@@H](C)NC(=O)c1cccc(F)c1C 421768974 GKVXTBJMEQPFJJ-SECBINFHSA-N 221.275 2.829 30 20 BFED C[C@@H](C[C@H]1CCCCCN1)NCC1(CC#N)CC1 423094359 KABMAMYNLDBLDE-UONOGXRCSA-N 249.402 2.581 30 20 BFED C=CCC[C@@H](CCC)NC1CCC(N)CC1 423213648 KHNOBPOYVROVRK-ROKHWSDSSA-N 224.392 2.981 30 20 BFED C=CCCCC[C@@H](C)NCC[C@H]1CCNC1 423254050 WWEPVGDHENRHES-ZIAGYGMSSA-N 224.392 2.711 30 20 BFED C=CCC[C@H](CCC)NCC1=CCNCC1 423343663 METVZVRWVAZPAE-AWEZNQCLSA-N 222.376 2.631 30 20 BFED C=CCN(CC=C)C(=O)C1=C(C)CCC1 437365763 PHONCFKOPOOPBS-UHFFFAOYSA-N 205.301 2.687 30 20 BFED C=C[C@](C)(CC)C(=O)N1CC[C@H](OC)C[C@@H]1C 441469369 VHHTUSFODWUPJI-SGMGOOAPSA-N 239.359 2.615 30 20 BFED 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302710914 LHMWDUGSCOUEHJ-GFCCVEGCSA-N 248.301 2.703 30 20 BFED Cc1cc(C#N)cc(NCc2cnn(C)c2C)c1 308111510 OGZDUDZIDKRUED-UHFFFAOYSA-N 240.310 2.521 30 20 BFED CCc1nc(C#N)cc(NC(C2CC2)C2CC2)n1 308167224 KVMOZICTJGRERP-UHFFFAOYSA-N 242.326 2.511 30 20 BFED CC[C@@](C)(OC)C(=O)Nc1cc(C)cc(C#N)c1 308200074 PENKQSCLKUAYAT-CQSZACIVSA-N 246.310 2.620 30 20 BFED C=CCCCCNc1ccncc1C(=O)O 309268444 FRESSKYIAXVCJU-UHFFFAOYSA-N 220.272 2.548 30 20 BFED Cc1cc(N[C@@H](C)c2cccc(C#N)c2)nn1C 310698817 DYMLIAJKEIEHDK-NSHDSACASA-N 240.310 2.773 30 20 BFED Cc1cc(C)cc(C(=O)NCC(C)(C)CC#N)c1 315791442 OFMUPXRTIWVQHY-UHFFFAOYSA-N 244.338 2.973 30 20 BFED N#CCCCC(=O)N[C@@H]1C[C@H]1C1CCCCC1 331430868 GIJRAFSMYXXZFH-QWHCGFSZSA-N 234.343 2.765 30 20 BFED C=CC1CCN(Cc2cscn2)CC1 334445017 NTELPUIBBMWFST-UHFFFAOYSA-N 208.330 2.541 30 20 BFED Cc1c(Cl)cnn1CC1(C#N)CCC1 334941542 YKNBMXHGPMSUQA-UHFFFAOYSA-N 209.680 2.539 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)C1 335116950 SUBIUSOYDDIVQO-GHMZBOCLSA-N 209.333 2.894 30 20 BFED CC1(CNC(=O)Nc2ccc(C#N)c(F)c2)CC1 335184890 WYYMUHLQXGNCSM-UHFFFAOYSA-N 247.273 2.619 30 20 BFED N#Cc1cccc(CN2CC[C@@H](C3CC3)C2)c1 335899619 NWYCZXLFXCQFEO-OAHLLOKOSA-N 226.323 2.790 30 20 BFED Cc1cccnc1NC(=O)c1ccc(C#N)s1 336307672 XWWOZKKTFXKNCE-UHFFFAOYSA-N 243.291 2.576 30 20 BFED Cc1nsc(N[C@@H]2CC[C@@H](F)C2)c1C#N 336517149 ZVLITJXJYPDAGF-HTQZYQBOSA-N 225.292 2.626 30 20 BFED Cc1ccnc(CNc2c(C#N)cccc2C#N)c1 338763066 QTRUXAGZLNPQFU-UHFFFAOYSA-N 248.289 2.745 30 20 BFED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1CC 342528600 OPOVSDGKRRWAHJ-MNOVXSKESA-N 210.321 2.535 30 20 BFED CC(=O)[C@@H](C)SCc1ccc(CC#N)cc1 342541054 FEDZZOBNLADEEO-LLVKDONJSA-N 233.336 2.963 30 20 BFED CC[C@H](Nc1nccc(C)c1C#N)[C@@H]1CCCO1 343524881 ZSGIFONSHPNRHU-STQMWFEESA-N 245.326 2.631 30 20 BFED CC(C)[C@H](C#N)NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 343635749 AEUCCVCBRSLPIW-LOWDOPEQSA-N 236.359 2.723 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@H](C)[C@H]1CCCCO1 344014459 LQAAQYJQOHFVGE-YRGRVCCFSA-N 239.359 2.663 30 20 BFED CC(C)c1cnc(CN(C)C[C@H](C)C#N)s1 346227939 YTMRDEDDKIDNNP-SNVBAGLBSA-N 237.372 2.858 30 20 BFED CC(C)c1cnc(N(C)C[C@H](C)C#N)s1 347437273 VGEQQTKIXCTULL-SECBINFHSA-N 223.345 2.862 30 20 BFED C=CCN(C)[C@H]1CCCN(Cc2ccccc2)C1 350749791 VYTUHEOIEHGAHF-INIZCTEOSA-N 244.382 2.769 30 20 BFED C=C(CC)CN(C)[C@H](CO)c1ccccc1 358510718 PKQHZONOSSJBOP-CQSZACIVSA-N 219.328 2.618 30 20 BFED C[C@H](CC(=O)NCC(C)(C)C#N)c1ccccc1 359630023 BZPRGCXCTONYBM-GFCCVEGCSA-N 244.338 2.846 30 20 BFED C=C[C@@H](C)NC(=O)C(C)(C)c1ccccc1 362603062 WJRDDCSPZNUXQW-LLVKDONJSA-N 217.312 2.655 30 20 BFED C=CC[C@H](C)[C@H](C)NCc1cnc2n1CCCC2 367439362 TYWBRNJOZMQNGZ-STQMWFEESA-N 247.386 2.910 30 20 BFED CC/C=C/CNc1nc(C)ccc1C#N 384965050 HSWZUSCAHKOYQX-SNAWJCMRSA-N 201.273 2.640 30 20 BFED CCCOc1ccccc1OCCO[C@H](C)C#N 385448521 IBEAXJQFTBDQHU-GFCCVEGCSA-N 249.310 2.783 30 20 BFED C=C(C)CCN[C@@H]1C[C@H](N)c2ccccc21 386677385 HLSBSMSDNUXYAB-UONOGXRCSA-N 216.328 2.687 30 20 BFED CCCCCCCC(=O)NCC1(NC)CCC1 386888672 NFDDRRHWJOKBAH-UHFFFAOYSA-N 240.391 2.605 30 20 BFED CCC1(C(=O)N2CCC(CCC#N)CC2)CC1 399297872 SCUAVYKFDIJILN-UHFFFAOYSA-N 234.343 2.719 30 20 BFED COC(C)(C)CN(C)c1ccc(C#N)cc1F 404252815 NAHICLQAAHEKDD-UHFFFAOYSA-N 236.290 2.559 30 20 BFED CCN(CCC1(C#N)CCCCC1)[C@H](C)CO 411762452 TXKSHUAKLOLYQS-CYBMUJFWSA-N 238.375 2.553 30 20 BFED C[C@@H](NCC(C)(C)CC#N)c1nccs1 414174975 YQIOSIHLPAENER-SECBINFHSA-N 223.345 2.734 30 20 BFED CC[C@@H]1CCC[C@@H]1CNc1cncc(C#N)n1 420635792 LXCFWMMRZRAXSK-GHMZBOCLSA-N 230.315 2.586 30 20 BFED CC(C)(C)OC(=O)CCSCCCC#N 440594596 IVLUEOQCPJUAKQ-UHFFFAOYSA-N 229.345 2.755 30 20 BFED CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)CC#N 447862068 SJSYDZMSGKMDSV-CQSZACIVSA-N 248.301 2.895 30 20 BFED C=C[C@H](C)NC(=O)[C@H](CC)CC(F)(F)F 450096439 IHTRWRSPWQDRRV-JGVFFNPUSA-N 223.238 2.656 30 20 BFED C=C(C)CCNC(=O)C[C@@H]1CCO[C@H](CC)C1 452718464 PORPEHRLXIEGFE-CHWSQXEVSA-N 239.359 2.664 30 20 BFED C=CC(C)(C)CNC(=O)Cc1ccc(F)cc1 452779797 VIXIBCYYQKMOIQ-UHFFFAOYSA-N 235.302 2.697 30 20 BFED C=CCCCNC(=O)N1CC[C@@H](CC2CC2)C1 454900433 TZBGNCTZQVDTMN-ZDUSSCGKSA-N 236.359 2.784 30 20 BFED CC(C)(CC#N)CNC(=O)CC1=CCCCC1 457995467 PTXUQEZYAHLOMX-UHFFFAOYSA-N 234.343 2.933 30 20 BFED C=CCCCCCN1[C@H]2CC[C@H]1COC2 459743548 GXNXNQHJIMRTCD-STQMWFEESA-N 209.333 2.596 30 20 BFED C=CCCCS(=O)(=O)N(CC)C(CC)CC 489858529 YNCXIJGZWVFWTG-UHFFFAOYSA-N 247.404 2.793 30 20 BFED C#C[C@H](CC)NC(=O)c1cc(C(C)C)oc1C 491127475 WYOBHEGXKPEARC-LLVKDONJSA-N 233.311 2.853 30 20 BFED C#CCNN=C1CC[C@](C)(c2ccccc2)C1 491396416 YBRHWLMESNWUMO-HNNXBMFYSA-N 226.323 2.707 30 20 BFED C#C[C@@H](CC)NC(=O)[C@H](CC)c1ccc(F)cc1 491669378 UIGZNNSFSSBLDN-UONOGXRCSA-N 247.313 2.847 30 20 BFED C=CC(C)(C)CCN[C@@H]1CCN(C)C[C@@H]1C 527927057 QYVMUGHDMGGTQL-QWHCGFSZSA-N 224.392 2.519 30 20 BFED CC[C@](C)(C#N)c1nc([C@@H]2CC[C@H](C)O2)no1 528247907 ZHSAXUYXCVHMDQ-HOTUBEGUSA-N 235.287 2.501 30 20 BFED C=C(CC)CN1CCN(c2ccccc2F)CC1 537993145 IEZYFAJLZZNDKJ-UHFFFAOYSA-N 248.345 2.914 30 20 BFED C=CCN(c1nnc(CC)n1CC(=C)C)C1CC1 555197125 OFBLZUDDGRWXKF-UHFFFAOYSA-N 246.358 2.571 30 20 BFED C=CCCCCS[C@H](C)C(=O)OC 565932974 XDHZPOCZOJGDEM-SECBINFHSA-N 202.319 2.637 30 20 BFED Cc1cc(CN2CCC[C@H](F)C2)ccc1C#N 567508930 UELIPSWAIVXHFX-AWEZNQCLSA-N 232.302 2.801 30 20 BFED COc1cc(F)ccc1NC[C@H](C#N)CCC#N 572595709 WYGQNEISHHVBLL-JTQLQIEISA-N 247.273 2.690 30 20 BFED CC1(CNC(=O)NCC2(C#N)CC2)CCCCC1 575052414 FVXZNXBOEMINFJ-UHFFFAOYSA-N 249.358 2.560 30 20 BFED C[C@@H]1CN(c2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1C 576393346 NIIAHPFIFZWBDH-AOOOYVTPSA-N 245.282 2.559 30 20 BFED N#CCCN[C@@H]1C[C@H]1c1ccc(Cl)cc1 581998764 WCACHPWCTNYTGC-NWDGAFQWSA-N 220.703 2.699 30 20 BFED N#CCCCCCC(=O)N[C@@H]1CC=CCC1 588158840 SZWLOGCCJOMFHZ-GFCCVEGCSA-N 220.316 2.685 30 20 BFED C[C@@]1(C(=O)N2CCC[C@@](C)(C#N)C2)CC=CCC1 590723271 HPEWFYWECZXRTR-LSDHHAIUSA-N 246.354 2.885 30 20 BFED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1cncc(C#N)n1 591459795 MOGXSKXILRNTGV-MDZLAQPJSA-N 242.326 2.506 30 20 BFED CC[C@@H](F)CSc1cccnc1C#N 594451267 HCNJSWSFXADXRB-MRVPVSSYSA-N 210.277 2.793 30 20 BFED C[C@@H](NCCCC#N)c1ccc(C(F)F)nc1 595031423 GNPDAOWVTHGKNC-SECBINFHSA-N 239.269 2.974 30 20 BFED CC[C@@H]1CC[C@@H]1NCCc1ccc(C#N)cc1 595056302 URYBLORQXJXFPX-CABCVRRESA-N 228.339 2.879 30 20 BFED CCC[C@@H]1CN([C@H](C#N)c2ccccc2)CCO1 595397854 YEWGEJKWIXMIFY-HUUCEWRRSA-N 244.338 2.752 30 20 BFED C=CCCNC(=O)N[C@@H]1CCCC[C@H]1SC 595652599 WGQZLNZGQPEKHO-GHMZBOCLSA-N 242.388 2.536 30 20 BFED C[C@@H](C#N)N(Cc1ncc(Cl)s1)C1CC1 595709953 KXTLXTGPIYKHPH-ZETCQYMHSA-N 241.747 2.673 30 20 BFED CC[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)C1CC1 595791145 ZUGSOMVPQOADGJ-JSGCOSHPSA-N 249.358 2.510 30 20 BFED Cc1ccc(C#N)nc1N[C@@H]1CCCSC1 596150811 LQRWTBVLSBLVFJ-LLVKDONJSA-N 233.340 2.569 30 20 BFED N#CC[C@H]1CCCN(c2ncccc2Cl)C1 596327738 ASVFIVXXGUYPRV-SNVBAGLBSA-N 235.718 2.865 30 20 BFED CC[C@@H](C)N(CC)C(=O)CC(C)(C)C#N 597859423 YDPHZLKOSDZOAT-SNVBAGLBSA-N 210.321 2.573 30 20 BFED N#CCCCCCC(=O)N[C@]12CCC[C@@H]1C2 597887403 GFIACZOYTXXXJQ-YPMHNXCESA-N 220.316 2.519 30 20 BFED CC[C@H](C)CCC(=O)N(C1CC1)[C@H](C)C#N 598134431 IKQQTOORCTWJSZ-WDEREUQCSA-N 222.332 2.716 30 20 BFED N#CCSCCCN1CCCC(F)(F)CC1 599551014 DZTXSMCFPDHJSZ-UHFFFAOYSA-N 248.342 2.754 30 20 BFED N#C[C@H](Sc1ccc(O)cc1)C1CC1 601077296 ZQNMRELPWBOTKY-NSHDSACASA-N 205.282 2.786 30 20 BFED N#Cc1cc(F)cc(NC(=O)C2[C@H]3CCC[C@H]23)c1 601713560 FNNPCVLXGPMZRH-RYUDHWBXSA-N 244.269 2.682 30 20 BFED Cc1cc(NC(=O)C2(C#N)CCC2)cs1 601877334 OAZHLTOLUXPCTJ-UHFFFAOYSA-N 220.297 2.689 30 20 BFED N#CCC[C@H](C#N)CN1CC(c2ccccc2)C1 601963570 JZLKYDAGHVTVDK-CYBMUJFWSA-N 239.322 2.529 30 20 BFED C[C@@H](C#N)N(C)C(=O)CC(C1CCC1)C1CCC1 602338824 FNXIYESLSFHULA-NSHDSACASA-N 248.370 2.963 30 20 BFED N#CC1(NC(=O)[C@H]2CC23CCC3)CCCCC1 610738329 VORCIWUBCAXBTL-LLVKDONJSA-N 232.327 2.519 30 20 BFED N#CC1(CN2CC[C@@H]2c2cccc(F)c2)CC1 611430042 ROHZRYATAFCDKC-CYBMUJFWSA-N 230.286 2.876 30 20 BFED C[C@@]1(C#N)CCCN(c2ccc(Cl)cn2)C1 612108923 WBQGXPXBSFJRHH-LBPRGKRZSA-N 235.718 2.865 30 20 BFED C[C@]1(C#N)CCCN(C(=O)[C@H]2CC23CCCC3)C1 612233283 OKVSREXYLGKZOI-TZMCWYRMSA-N 246.354 2.719 30 20 BFED C=CCC1(C(=O)NCCC2CSC2)CCC1 616397764 WZMBHFMMNZHSLZ-UHFFFAOYSA-N 239.384 2.602 30 20 BFED C=CCC(CC=C)C(=O)Nc1cc(C)nc(C)n1 637736405 XXYFNRIRFABPPG-UHFFFAOYSA-N 245.326 2.800 30 20 BFED C=CCN(C1CC1)[C@@H](C)c1cnc(C)nc1C 639062613 RJRXPAYWSCIPFW-NSHDSACASA-N 231.343 2.805 30 20 BFED C=CC[C@@H](C)[C@@H](C)NCCCNC(C)C 643508152 PDKZKKPXKBVJFL-CHWSQXEVSA-N 212.381 2.565 30 20 BFED C=CCCCCN[C@@](C)(CO)c1ccccc1 649303442 UFKYMHJZYCHDSX-HNNXBMFYSA-N 233.355 2.840 30 20 BFED C=C[C@@H](C)NC(=O)N1CCc2ccc(C)cc2C1 660881964 RGALZAMNZNCUHR-GFCCVEGCSA-N 244.338 2.637 30 20 BFED C=CCC1(NCc2ccno2)CCCC1 661848130 BCRBCWLYYXRTMQ-UHFFFAOYSA-N 206.289 2.653 30 20 BFED C=C(C)CN1CCC([C@@H]2CCCCO2)CC1 661868302 LXCJPIDLFSBMLY-AWEZNQCLSA-N 223.360 2.844 30 20 BFED C=CC[C@@H](CC)NC(=O)CCC(C)(F)F 684939850 WXPHZIAHPVBQAY-SECBINFHSA-N 219.275 2.893 30 20 BFED C[C@@H](CC(C)(C)C#N)NCC1SCCS1 692813496 YJJFDNPZCPHGKT-VIFPVBQESA-N 244.429 2.710 30 20 BFED C#C[C@@H](CC)NC(=O)c1cc(C)c(CC)s1 700580134 OPQYAFLEKIVPJT-JTQLQIEISA-N 235.352 2.761 30 20 BFED C#Cc1cccc(NCc2cnn(C)c2Cl)c1 712422929 QLBFPXLKTHLGAJ-UHFFFAOYSA-N 245.713 2.667 30 20 BFED CCn1cncc1CNc1cc(F)cc(C#N)c1 718564398 LHISLYCSEMNDQC-UHFFFAOYSA-N 244.273 2.526 30 20 BFED CC(C)CC(=O)OCc1ccc(F)cc1C#N 729695188 CYCGDEBRXKQKRS-UHFFFAOYSA-N 235.258 2.787 30 20 BFED Cc1cccc(C=NNc2ncccn2)c1C 731150731 DZBIJVGWXKTPGB-UHFFFAOYSA-N 226.283 2.539 30 20 BFED Cc1ccc(C=NOCCC(F)(F)F)o1 740872679 LDIVJDYCXAIOPQ-UHFFFAOYSA-N 221.178 2.891 30 20 BFED CCCCCCCN1CC[C@H](COC)C1 740878645 QQNBBJVYONZRCE-ZDUSSCGKSA-N 213.365 2.925 30 20 BFED N#Cc1ccc(C=NNc2ccc(F)cc2)o1 743420931 TVVRPDHEKRZYDZ-UHFFFAOYSA-N 229.214 2.736 30 20 BFED C=CCN(C(=O)CC[C@H]1CC[C@H](C)O1)C(C)C 743753020 GSHBFYQWMNMRPR-QWHCGFSZSA-N 239.359 2.757 30 20 BFED C#CCN(CC#CC)Cc1ccc(F)cc1Cl 743852194 CUTHCHZEFUTHPT-UHFFFAOYSA-N 249.716 2.938 30 20 BFED C=CCCOC(=O)C(C)(C)N(C)C1CCCC1 754874465 YYVPORQQVNPLFS-UHFFFAOYSA-N 239.359 2.759 30 20 BFED Cc1cc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)c(C)n1C 754961402 MYXMTXDCJADZTF-KCQAQPDRSA-N 245.370 2.754 30 20 BFED C=CCCO[C@H](C)C(=O)O[C@H](C)c1ccncc1 757699335 UZBWDGLQVIZRBR-VXGBXAGGSA-N 249.310 2.667 30 20 BFED C[C@H]1C[C@H]1C=NNc1nc2ccccc2[nH]1 758363962 ZINRZXFFENKYKT-IUCAKERBSA-N 214.272 2.617 30 20 BFED CON=Cc1ccc(Cl)c2cccnc12 760241663 FYGDTOBZYBBHOZ-UHFFFAOYSA-N 220.659 2.869 30 20 BFED CCCNN=Cc1cnc(C2CCC2)s1 760244431 XQCQDINNARYTGK-UHFFFAOYSA-N 223.345 2.744 30 20 BFED COCC#CCSC1=Nc2ccccc2C1 762498944 DGXPZNCRWGXNRZ-UHFFFAOYSA-N 231.320 2.656 30 20 BFED N#Cc1cc(Cl)nc(NN=C2CCCC2)c1 768382711 XPYMEMZKHKJCCY-UHFFFAOYSA-N 234.690 2.949 30 20 BFED CC1CC(Nc2ccc(F)cc2OCC#N)C1 768519776 XBEGRRKDDLWCII-UHFFFAOYSA-N 234.274 2.938 30 20 BFED CCON=C(Cc1ccccc1)C(F)F 769570725 VRAYODNXTZFUOL-UHFFFAOYSA-N 213.227 2.887 30 20 BFED C#C[C@H](C)NC(=O)C=C(CCC)CCC 772973282 SXNBZMIXAMXGSL-NSHDSACASA-N 207.317 2.651 30 20 BFED CC1=CCC[C@H](C)[C@@H]1C=NNC1CCOCC1 773202883 DWXDPWATRCMWFX-GXTWGEPZSA-N 236.359 2.733 30 20 BFED C#CCCCCCC(=O)OCc1ncc(C)o1 780026684 LNUQIPLMDVZVOW-UHFFFAOYSA-N 235.283 2.610 30 20 BFED CC(=NNc1ccnc(F)c1)c1ccccc1O 781131674 AXERNCYZSCXHAH-UHFFFAOYSA-N 245.257 2.762 30 20 BFED CCCCC[C@@H](C)CC(=O)O[C@@H](C#N)COC 785351318 YJAVIVZUQYLACX-NEPJUHHUSA-N 241.331 2.675 30 20 BFED N#Cc1ccc(/C=C\C(=O)c2cncs2)s1 787171821 DNSQXLDYIXDMIT-ARJAWSKDSA-N 246.316 2.972 30 20 BFED Cn1ccnc1NN=Cc1ccc(Cl)cc1 790301126 CEVGSRUBXLIVGS-UHFFFAOYSA-N 234.690 2.520 30 20 BFED CC[C@H]1CCCC1=NNc1ncncc1F 793211049 GUIUBCVJZITQCL-QMMMGPOBSA-N 222.267 2.594 30 20 BFED COCCN(C)N=C(C)c1ccccc1Cl 794962990 GCZKMHHUOIBUOF-UHFFFAOYSA-N 240.734 2.642 30 20 BFED CC(C)(C#N)CCCOC(=O)c1ccc[nH]1 797857308 HQANEBQUMPJFRW-UHFFFAOYSA-N 220.272 2.501 30 20 BFED COC[C@H](C)NN=C1CCC[C@H]1CCCF 800815306 SRBFAWVMUBEZTC-QWRGUYRKSA-N 230.327 2.517 30 20 BFED C#C[C@@H](C)NC(=O)Nc1ccc2occ(C)c2c1 806436370 PYEZWJQVBJJEEK-SNVBAGLBSA-N 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30 20 BFED CN(Cc1cscn1)c1cccc(F)c1C#N 49056355 POOGULVNZASQRF-UHFFFAOYSA-N 247.298 2.790 30 20 BFED CC(=O)[C@H](C)SCc1ccccc1C#N 58239643 LNWDXBMXHMZPDU-JTQLQIEISA-N 219.309 2.769 30 20 BFED N#Cc1ccc(N[C@@H](CO)c2ccccc2)cc1 63001535 HMWGNMQSUHHRIH-HNNXBMFYSA-N 238.290 2.704 30 20 BFED CCCCCC[C@H](C)CC(=O)NCC#N 67922889 FULFCJGRVHIZNY-NSHDSACASA-N 210.321 2.623 30 20 BFED CC1(NC(=O)c2cccc(C#N)c2)CCCC1 70266070 UYNUKJCVODRDTI-UHFFFAOYSA-N 228.295 2.621 30 20 BFED CC1(C(=O)[C@@H](C#N)c2ccccn2)CCCC1 72590948 KFPWTXQIYQZBTC-NSHDSACASA-N 228.295 2.838 30 20 BFED C[C@@H]1CN(CCOc2ccc(C#N)cc2)C[C@@H]1C 76111274 OJPXRWDXRWJMAA-BETUJISGSA-N 244.338 2.525 30 20 BFED C#CCCCOC(=O)[C@@H]1CCOc2ccccc21 77559513 FDIUOVBMILRWCB-CYBMUJFWSA-N 244.290 2.509 30 20 BFED CC[C@H](CC#N)NC(=O)c1c(C)oc(C)c1C 87198991 NFMOYLUTIYIDIW-LLVKDONJSA-N 234.299 2.627 30 20 BFED C=CC1CCN(C(=O)C(CC)CC)CC1 110367514 DDVZFRYBULXDNC-UHFFFAOYSA-N 209.333 2.847 30 20 BFED N#CC1(C(=O)Nc2cccnc2Cl)CCCC1 120506460 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229.323 2.799 30 20 BFED C=CC[C@H](C)NC(=O)N1CCC[C@H]1CCC 1357269643 TVAQWAWREVYPEB-NWDGAFQWSA-N 224.348 2.925 30 20 BFED CCC[C@H]1CCCN1C(=O)CC(C)(C)C#N 1514708077 BUBZMNJTCPYCTE-NSHDSACASA-N 222.332 2.717 30 20 BFED C=C[C@@H](N[C@@H](CC)CCc1ccccc1)C(=O)O 1588692345 ABERLOFJHDJIKZ-UONOGXRCSA-N 247.338 2.627 30 20 BFED N#CC1(CCSCC(=O)O)CCCCC1 1594603831 JMFRAECPDWVECK-UHFFFAOYSA-N 227.329 2.668 30 20 BFED CCC#C[C@H](C)N1Cc2ccc(C(=O)O)cc2C1 1604851022 NRUAYIKESUXVSW-NSHDSACASA-N 243.306 2.502 30 20 BFED C=CCC[C@H](CCC)N[C@@H]1CCC[C@H]1C(=O)O 1609324823 RAMJRCIHJFQGGK-YNEHKIRRSA-N 239.359 2.964 30 20 BFED CC1(C)CCN1C(=O)[C@H](CC#N)c1ccccc1 1628457955 WABAZIUGOFOINU-CYBMUJFWSA-N 242.322 2.695 30 20 BFED CC[C@H]1CCN(C(=O)C2(C#N)CC(C)C2)[C@H]1C 1634529488 CGTQRDUFLNEKOS-ATJQQHLPSA-N 234.343 2.573 30 20 BFED C=C/C=C\CCN1CCC[C@@](CC=C)(C(=O)O)C1 1776151164 FIBASNAMEGBMAB-IYKSTZQJSA-N 249.354 2.862 30 20 BFED C=CCC1(C(=O)O)CCN(CCC2CC2)CC1 1776160635 NQHSGFFTPAQSQG-UHFFFAOYSA-N 237.343 2.529 30 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C#CCN(CC)C(=O)Nc1nc(C2CC2)cs1 139177093 PNMJUQLJTMYCBV-UHFFFAOYSA-N 249.339 2.508 30 20 BFED C#Cc1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1 140676696 ARXGMZQCFIWLCP-HNNXBMFYSA-N 248.285 2.522 30 20 BFED CCn1cc(C(=O)/C=C/c2ccc(F)cc2)cn1 149620733 CKPULJADEQHGOS-VMPITWQZSA-N 244.269 2.938 30 20 BFED C#Cc1cccc(NC(=O)NC2(C)CCC2)c1 153247405 RKWAKQLIOOGEFS-UHFFFAOYSA-N 228.295 2.732 30 20 BFED C=C(C)CNC(=O)N[C@H](C)c1cc(C)oc1C 156265082 ZFBKXAJXVNIIQZ-SNVBAGLBSA-N 236.315 2.833 30 20 BFED CC#CCN(CC)Cc1ccc(OC)cc1 159351149 SJUHENYARDAKTE-UHFFFAOYSA-N 217.312 2.540 30 20 BFED C#CCCCN(C)Cc1ccccc1C 161074850 FWOTTZSCDGRDAI-UHFFFAOYSA-N 201.313 2.840 30 20 BFED C[C@H](Nc1ccc(F)cc1C#N)[C@@H]1CCOC1 164136188 OVVFLGDWTSUREA-VHSXEESVSA-N 234.274 2.534 30 20 BFED Cc1cnccc1CCNc1ccc(C#N)cc1 166707588 YFWIZFLIJYPLQF-UHFFFAOYSA-N 237.306 2.916 30 20 BFED C=C(Cl)CNC(=O)c1cc(C)nc(Cl)c1 167815738 YSCFQCKNFOAWJK-UHFFFAOYSA-N 245.109 2.526 30 20 BFED C[C@@H](CO)S[C@H](C)c1ccc(C#N)cc1 172977887 IFWPYYBTBHVZRR-VHSXEESVSA-N 221.325 2.733 30 20 BFED CCCCCCCCCNS(=O)(=O)C1CC1 173008710 ONBAEPWYQNJJMG-UHFFFAOYSA-N 247.404 2.819 30 20 BFED C=CCOCCCC(=O)N[C@H](C)C[C@@H](C)CC 174132081 BRDBMMMNVSVQAG-QWHCGFSZSA-N 241.375 2.910 30 20 BFED CCc1ccc(C(C)(C)C(=O)N[C@@H](C)C#N)cc1 175875073 RELOYERISKVHNY-NSHDSACASA-N 244.338 2.555 30 20 BFED C=CCCCC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 177865385 FOASMJYYLBDYNP-TZMCWYRMSA-N 234.343 2.931 30 20 BFED C=C(C)CS[C@@H](C)C(=O)NC(C)(C)C 177869902 HWKDYISLIQMJGY-VIFPVBQESA-N 215.362 2.599 30 20 BFED Cc1c(C#N)cccc1NC(=O)[C@@H]1C[C@@H]1C1CC1 178372174 CCPUSLDQPNFJOL-CHWSQXEVSA-N 240.306 2.851 30 20 BFED COCC[C@@H](C)Nc1ccccc1O[C@H](C)C#N 182250424 OVWHHEKANKLJEV-VXGBXAGGSA-N 248.326 2.814 30 20 BFED C[C@@H](CC#N)N(C)C(=O)C[C@@H]1CCC[C@H]1C 185951557 CDMQEHIDZZJSQE-WOPDTQHZSA-N 222.332 2.573 30 20 BFED CC[C@H](C)CC(=O)Oc1ccc(C#N)cc1OC 191347600 MVISZQHKXPNPOD-JTQLQIEISA-N 247.294 2.908 30 20 BFED N#C[C@H]1CCC[C@@H](Nc2cccc(CO)c2)C1 194824935 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246.329 2.994 30 20 BFED C=CC(C)(C)CNC(=O)CCCc1ccccn1 1330696838 UUJHIFHIKQGBSO-UHFFFAOYSA-N 246.354 2.733 30 20 BFED CC(=O)c1ccc(N(C)CC2(C#N)CC2)cc1 1331172136 GNCHUIJMYYJVPP-UHFFFAOYSA-N 228.295 2.629 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1336760946 UUBWGUOJTBJBGI-SYQHCUMBSA-N 249.354 2.511 30 20 BFED CCCCCCCCCC(=O)NCC1(N)CC1 1341302972 LSIMLDSHISUUJH-UHFFFAOYSA-N 240.391 2.735 30 20 BFED C#CCCCCC(=O)O[C@@H](C)CCCOC 1346047222 BDUNFQVXFOEDDM-LBPRGKRZSA-N 226.316 2.538 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1ccc(F)cn1 1351365303 YWCHJVWUCPFKOO-VIFPVBQESA-N 222.263 2.762 30 20 BFED C=C(C)CCC(=O)NCC1(OC)CCCCC1 1358129153 ZHDRAGBNBDGUCC-UHFFFAOYSA-N 239.359 2.808 30 20 BFED CCC(CC)C(=O)Nc1ccc(C#N)cc1 6309452 ANYANOVHDRMFFK-UHFFFAOYSA-N 216.284 2.933 30 20 BFED CCCN(C(=O)c1cccc(C#N)c1)C1CC1 37097489 SUNDHEVTOTYNNC-UHFFFAOYSA-N 228.295 2.573 30 20 BFED C=CCN[C@@H](CC)c1ccccc1OC 37184966 KIZRTCHJHKGQHI-LBPRGKRZSA-N 205.301 2.922 30 20 BFED C=CCCOC(=O)c1ccccc1C(C)=O 38812754 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C=CCCC(=O)N1CCC[C@@H]1C1CCC1 102878897 KEKDSLULIRUNEB-GFCCVEGCSA-N 207.317 2.744 30 20 BFED CCCCCCCCCC(=O)NOC 106167426 ZIUVWNWZGCGREB-UHFFFAOYSA-N 201.310 2.805 30 20 BFED CN(CC1CCCC1)C[C@@H](C#N)CCC#N 112560007 BERICVUHTIIMJH-CYBMUJFWSA-N 219.332 2.552 30 20 BFED C=CC[C@H](C)NC(=O)Nc1ccccc1N(C)C 116999724 NEFNKNXRUPNUJB-NSHDSACASA-N 247.342 2.839 30 20 BFED Cc1ccc(CCOC(=O)C(C)(C)C#N)cc1 117535179 CVJFRBBMTSYKMF-UHFFFAOYSA-N 231.295 2.631 30 20 BFED C[C@@H](c1ccc(C#N)cc1)N1CCSCC1 118393425 QRUHCCFRHDHCAV-NSHDSACASA-N 232.352 2.668 30 20 BFED C=CC1CCN(c2nc(C(C)C)no2)CC1 119895817 WMKQQFKHYBRDRB-UHFFFAOYSA-N 221.304 2.595 30 20 BFED CCO[C@H]1C[C@@H](N(C)CCCCC#N)C1(C)C 120629339 YSGUKFSWMGDIEU-OLZOCXBDSA-N 238.375 2.816 30 20 BFED CC[C@@H]1CCN(Cc2ccc(C#N)cc2OC)C1 121191929 LRAMLQPLXRGRPP-GFCCVEGCSA-N 244.338 2.799 30 20 BFED Cc1ccoc1C(=O)/C=C/c1cn(C)nc1C 121357485 XHZJVNSHJZVUIN-SNAWJCMRSA-N 230.267 2.526 30 20 BFED C=C(C)CN(CC)[C@H](C)C(=O)NC(CC)CC 125943854 OPENYRYMBHHYHP-GFCCVEGCSA-N 240.391 2.578 30 20 BFED CCSCCN(CCC#N)CC(C)C 126264335 VXJJRXUGOSVHPH-UHFFFAOYSA-N 214.378 2.611 30 20 BFED C=C[C@@H](C)NC(=O)N1CCC[C@H]1C1CCC1 128401957 HDHKYNINVKWHJU-PWSUYJOCSA-N 222.332 2.535 30 20 BFED C=CCSCCN[C@@H]1CC(C)(C)OC1(C)C 129349657 ISHMQLDKENZPPN-LLVKDONJSA-N 243.416 2.841 30 20 BFED C=C[C@@H](C)Nc1ncc(Cl)cc1F 130660283 CNGWEXIMUGJYGN-ZCFIWIBFSA-N 200.644 2.861 30 20 BFED CC1(C)CCCN(C[C@@H](C#N)CCC#N)CC1 131480989 FMLAAUIKBVEDOV-CYBMUJFWSA-N 233.359 2.942 30 20 BFED Cc1ccnc(N[C@H]2CC=CCC2)c1C#N 135083069 NHRGDAJZUYDMNC-NSHDSACASA-N 213.284 2.782 30 20 BFED CC[C@@](C)(C#N)C(=O)N1CCCCC[C@@H]1C 136256823 QNILMCMPMPUBMX-AAEUAGOBSA-N 222.332 2.717 30 20 BFED C=CCCCCCN(C)C[C@@H]1CCCO1 150901653 PVGBMYKNKBXTLY-ZDUSSCGKSA-N 211.349 2.844 30 20 BFED C=C(C)CNC(=O)Nc1ccc(C)c(F)c1 156116442 IFKONESYOIBKON-UHFFFAOYSA-N 222.263 2.832 30 20 BFED C=CC[C@H](C)NC(=O)N[C@@H](C)CC(C)C 156880040 WUWWUODDCXIBJR-QWRGUYRKSA-N 212.337 2.685 30 20 BFED CCOCCN(C)c1ccc(Cl)cc1C#N 157908388 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C=CC[C@H](C)NCc1ccc(N(C)CC)nc1 191104682 SJWDQVHBETUWSA-LBPRGKRZSA-N 233.359 2.592 30 20 BFED C=C(C)COc1cc(C(=O)OC)ccc1C 192510879 GRKWUOIVGJMZBH-UHFFFAOYSA-N 220.268 2.737 30 20 BFED O=C(/C=C\c1csnn1)c1cccc(F)c1 209181325 IMMZZNKXZBZGBA-PLNGDYQASA-N 234.255 2.573 30 20 BFED C/C=C/C=C\C(=O)OCc1cccc(C#N)c1 209383188 BZZOQGAWIHRGFB-HOJFPOIOSA-N 227.263 2.734 30 20 BFED N#Cc1cncnc1Nc1cccc(Cl)c1 222634170 KIFFXGOBAFYSBB-UHFFFAOYSA-N 230.658 2.745 30 20 BFED C#CCCCNCc1ccc2cnccc2c1 226383486 XTLIBUKQZHCDDY-UHFFFAOYSA-N 224.307 2.738 30 20 BFED C[C@H]1CCN(CCOc2ccc(C#N)cc2)[C@H]1C 248338966 IAFHNYFSMXRAOY-STQMWFEESA-N 244.338 2.667 30 20 BFED Cc1ccc(C)c(Oc2cncc(C#N)n2)c1 260375530 ZXJWZKZENCCFNU-UHFFFAOYSA-N 225.251 2.757 30 20 BFED C=C(C)CN1CCC(NCc2occc2C)CC1 266172282 CXERKTVFFDLPDC-UHFFFAOYSA-N 248.370 2.718 30 20 BFED CO[C@]1(C)C[C@H](Nc2cccc(C#N)n2)C1(C)C 266733314 OIVJCIRBTKNPQX-SMDDNHRTSA-N 245.326 2.569 30 20 BFED Cc1ccc(F)cc1C(=O)N[C@@H](C#N)C(C)(C)C 267271032 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2.740 30 20 BFED C=CCN[C@@H](COC)c1cccc(Cl)c1 288979626 ZGIRFWKHEWJYBI-LBPRGKRZSA-N 225.719 2.803 30 20 BFED C=C[C@@](C)(CC)c1nc(-c2ccn(C)c2)no1 289340533 GCLXDASFNGWPLC-ZDUSSCGKSA-N 231.299 2.929 30 20 BFED CC[C@@](C)(C#N)C(=O)Nc1ccc(C#N)c(F)c1 291615057 MTHQWUWKSIPAMX-ZDUSSCGKSA-N 245.257 2.576 30 20 BFED C=CCCC(=O)N(C)Cc1occc1C 292481043 DJTGWABCDFYQJJ-UHFFFAOYSA-N 207.273 2.513 30 20 BFED C=CCC(C)(C)C(=O)NCc1ncccc1C 292646613 DLNKOACZVFOMKX-UHFFFAOYSA-N 232.327 2.609 30 20 BFED C=CCC(C)(C)C(=O)N1CCS[C@H](C)C1 292735509 JJWFAEDSTAPMME-SNVBAGLBSA-N 227.373 2.553 30 20 BFED C=C(C)Cn1c(CC2CC2)nnc1N(CC)CC 292871320 HKGATCSTXMKABE-UHFFFAOYSA-N 248.374 2.653 30 20 BFED C=CCC(C)(C)C(=O)Nc1ccc(OC)c(O)c1 295861038 WVGHMVLZMSZIDM-UHFFFAOYSA-N 249.310 2.942 30 20 BFED C#C[C@@H](NC(=O)c1ccc(C)c(F)c1)C(C)C 304197458 XXCATZYDQKKABG-CYBMUJFWSA-N 233.286 2.522 30 20 BFED N#CC1(CNC2CCC3(CC2)CC3)CC1 308888933 VNPQYBKQSKPAPP-UHFFFAOYSA-N 204.317 2.603 30 20 BFED CC1(CN[C@H]2CC[C@H](C#N)C2)CCCC1 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233.290 2.717 30 20 BFED C[C@@H]1CCCCN1C(=O)NCC(C)(C)CC#N 334710402 RWECCZKMHCYOSM-LLVKDONJSA-N 237.347 2.510 30 20 BFED N#Cc1ccc(CN[C@@H]2CCC[C@@H](F)C2)cc1 335374024 VTBYGYBPCVRFKA-ZIAGYGMSSA-N 232.302 2.929 30 20 BFED CCN(C(=O)[C@H](C)C#N)c1cccc(C)c1C 336050034 UQXPSJISDWKZDF-LLVKDONJSA-N 230.311 2.816 30 20 BFED Cc1c(C#N)cccc1NC(=O)CC1CC1 336141808 UNWYNAIXWHTRJM-UHFFFAOYSA-N 214.268 2.605 30 20 BFED Cc1cc(CNC2CC(F)(F)C2)ccc1C#N 336173304 LQXOVEMYBJFWFI-UHFFFAOYSA-N 236.265 2.754 30 20 BFED Cn1cnc2cc(N[C@@H]3CC[C@H](C#N)C3)ccc21 336342648 GWCJVWBMWNNRQC-WDEREUQCSA-N 240.310 2.677 30 20 BFED C[C@H](NCCC(C)(C)C#N)c1ccncc1F 338345968 TWMQRFBINDXYTH-JTQLQIEISA-N 235.306 2.811 30 20 BFED C=CCCN(CCOC)CCc1ccccc1 338547320 SBMVWIIDDIZBCL-UHFFFAOYSA-N 233.355 2.754 30 20 BFED C=CCCC(=O)Nc1ccc(CC#N)cc1 338618650 YQALKHGXZBWTAV-UHFFFAOYSA-N 214.268 2.657 30 20 BFED CC(C)[C@@H](C(=O)N[C@@H](C)C#N)c1ccc(F)cc1 339377594 BYAFIUPUPYBYFH-GXFFZTMASA-N 248.301 2.594 30 20 BFED 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XZVATKOTENVNCD-STQMWFEESA-N 239.359 2.664 30 20 BFED CCCC[C@H](SCC1(C#N)CC1)C(=O)OC 355972572 SHKBTQAZQFANFC-JTQLQIEISA-N 241.356 2.755 30 20 BFED C=CCOCCCOc1ccc(F)cc1F 356046315 ZHKLUPBZFHBHJS-UHFFFAOYSA-N 228.238 2.936 30 20 BFED C=C(CC)CSc1nncn1C(C)C 358562237 OMYRJUOQGXABMN-UHFFFAOYSA-N 211.334 2.917 30 20 BFED CCc1ccc(Cn2cc(C#N)c(C)n2)cc1 359373789 WCCORQIMROHMPH-UHFFFAOYSA-N 225.295 2.674 30 20 BFED CCc1ccc([C@@H](CO)NCCCCC#N)cc1 359623765 FOZHXQFKCVVGJR-OAHLLOKOSA-N 246.354 2.566 30 20 BFED CN(C(=O)CCCC#N)[C@H]1CCC(C)(C)C1 360472198 FHVAZBGGIYENAQ-NSHDSACASA-N 222.332 2.717 30 20 BFED CC[C@H](CC1CCCC1)C(=O)N1CC(C)(C#N)C1 361207260 SWYAAYWNWAAVRN-CYBMUJFWSA-N 248.370 2.965 30 20 BFED N#Cc1ccc(C(=O)N2CCC[C@H]2C2CC2)cc1 363385448 ZDHZUFREUZFCID-AWEZNQCLSA-N 240.306 2.573 30 20 BFED N#CCN1CCC[C@H]1c1ccc(F)c(F)c1 365235899 SDYCBBXHOXGTDX-LBPRGKRZSA-N 222.238 2.625 30 20 BFED C=CCCCC(=O)N1CC(C)(C)[C@H]1C1CC1 365756422 CRDGSXROFUTEJF-CYBMUJFWSA-N 221.344 2.990 30 20 BFED CC(C)(C)[C@H]1C[C@H](NCC2(C#N)CC2)CS1 381187347 XWTHHZHLJVSXFC-WDEREUQCSA-N 238.400 2.800 30 20 BFED C=C(C)COCCNc1ccc(C#N)cc1C 383367087 XKLIVDXQUAJMTE-UHFFFAOYSA-N 230.311 2.871 30 20 BFED C#C[C@](C)(CC)NCCCOc1ccccc1 384131100 CGJMZFFMZQURTA-OAHLLOKOSA-N 231.339 2.847 30 20 BFED Cc1cc(C)nc(SCCOCCC#N)c1 385180482 CSHKPTPYNVQGIQ-UHFFFAOYSA-N 236.340 2.721 30 20 BFED C=CC(C)(C)CN[C@@H](CC)[C@@H]1CCOC1 385434396 FUZXMNMPCQCXOW-NEPJUHHUSA-N 211.349 2.603 30 20 BFED C[C@H](C#N)CN[C@@H](C)CCc1ccsc1 389841545 JTONMKQETKOKOY-MNOVXSKESA-N 222.357 2.818 30 20 BFED COCCCCN(C)c1ccc(C#N)cc1F 397231500 VPSBKRXKZHHEEQ-UHFFFAOYSA-N 236.290 2.560 30 20 BFED C=CCCO[C@@H](C)C(=O)N1[C@H](C)CCC1(C)C 411085986 MALCRBQALVMKBG-NEPJUHHUSA-N 239.359 2.757 30 20 BFED C=CCN[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 412070200 JPSMMGWYNXAYDU-WDEREUQCSA-N 211.349 2.744 30 20 BFED C=CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1 412140757 XKDMLYICKWZTGV-LEWSCRJBSA-N 245.322 2.577 30 20 BFED C=CCn1cccc1C(=O)N(C)[C@H]1CC1(C)C 428097447 POERMTDYNHTKFE-LBPRGKRZSA-N 232.327 2.545 30 20 BFED CCN(CC#N)Cc1cccc2ccoc12 449015147 JYEGIWWDYASWDZ-UHFFFAOYSA-N 214.268 2.778 30 20 BFED C=CCCCC[C@H](C)NCc1cnc(C)nc1O 449234968 SEFNOZJWWRRZGM-NSHDSACASA-N 249.358 2.715 30 20 BFED C=CCCCC[C@H](C)NCc1nc(C2CC2)n[nH]1 449408551 ONFPTHDTRKTKSJ-NSHDSACASA-N 248.374 2.907 30 20 BFED C=CCC[C@H](CC)NC1C[C@@H]2CC[C@H](C1)N2C 449560718 OUBLEXBRGXLJAF-AVOUXACISA-N 236.403 2.946 30 20 BFED C[C@H](c1ccccn1)N(C)CC1(C#N)CCC1 450626176 GBMIMBGQDDYHKL-GFCCVEGCSA-N 229.327 2.768 30 20 BFED C=CCN(C)C(=O)c1ccc(C)nc1C(C)C 451028087 CAKICQNEXFFVMT-UHFFFAOYSA-N 232.327 2.771 30 20 BFED C=C(C)CCNC(=O)c1ccc(OC(C)C)nc1 452727108 XCIBWPCHMAGIKI-UHFFFAOYSA-N 248.326 2.565 30 20 BFED C=C(C)CNC(=O)NC[C@H]1CCC[C@H]1CC 454826213 BQNAMYKYIRJDRK-VXGBXAGGSA-N 224.348 2.688 30 20 BFED C[C@@H]1CC[C@H](CN=c2ccc(Cl)c(C#N)[nH]2)C1 480840270 PUWWRTPZUSIBHW-ZJUUUORDSA-N 249.745 2.877 30 20 BFED C=CCCCCCN1CCN(C)[C@@H](C)[C@H]1C 488155613 ARVAZGVBHICIOM-UONOGXRCSA-N 224.392 2.757 30 20 BFED C=CCn1cccc1C(=O)N1CC[C@@H](C)[C@@H]1CC 488930504 MAGHRKZXBUXCIX-OLZOCXBDSA-N 246.354 2.935 30 20 BFED C#C[C@@H](C)N(C)Cc1cccc(OC(F)F)c1 491819168 MWRDDCYVFWEEHL-SNVBAGLBSA-N 239.265 2.742 30 20 BFED N#CCCCNC(=O)/C=C\c1ccc(Cl)cc1 492417755 PIPSYDVRCSSSCH-YVMONPNESA-N 248.713 2.773 30 20 BFED C[C@@H](CC#N)N(C)C(=O)C[C@@H]1CCCC[C@H]1C 521228890 OLPQFJXKABCYIG-AGIUHOORSA-N 236.359 2.963 30 20 BFED C/C(=C\c1ccc(C#N)s1)c1cnccn1 548139438 DUPYDLXXABSGGE-RMKNXTFCSA-N 227.292 2.970 30 20 BFED N#CCc1ccccc1NC(=O)C1[C@H]2CCC[C@H]12 550099854 ANNCGRWHNWIMSK-RYUDHWBXSA-N 240.306 2.737 30 20 BFED C=C(CC)CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 550307113 PAHMIMLGSSTGEN-XDQVBPFNSA-N 205.345 2.931 30 20 BFED Cc1cc(C#N)c(=O)n(C[C@H]2CCCC[C@H]2C)c1 566499097 MOAOPOKXXJNIQS-CHWSQXEVSA-N 244.338 2.855 30 20 BFED N#CCC[C@@H](C#N)CNC[C@H]1C[C@H]2C=C[C@H]1CC2 575241835 VBTSHNBZHPZEMR-ZQDZILKHSA-N 243.354 2.622 30 20 BFED Cc1cc(C(=O)NCC2(C#N)CC2)ccc1Cl 578710248 ZHJQTZDTCDDMAE-UHFFFAOYSA-N 248.713 2.682 30 20 BFED CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@](C)(C#N)C1 589709336 LDUAEUFTMJQFEO-YRGRVCCFSA-N 234.343 2.575 30 20 BFED N#Cc1cnc(N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c(F)c1 591151101 NKCMBENTODXWCR-XZPDDHLCSA-N 243.285 2.549 30 20 BFED CC[C@H](C#N)C(=O)N1CCC[C@H](C(C)(C)C)C1 593677969 GXTVKGTXVYBJNV-NEPJUHHUSA-N 236.359 2.821 30 20 BFED CC[C@H](CC#N)NC[C@H](OC)c1ccccc1 594006603 JNFGVLKJGVIXGT-KGLIPLIRSA-N 232.327 2.656 30 20 BFED CC(C)(F)CCNCc1cc(C#N)cs1 594974130 ZIBNMSFDSKPXSJ-UHFFFAOYSA-N 226.320 2.848 30 20 BFED CCN(CCc1c(F)cccc1F)[C@@H](C)C#N 595819634 TVFGXKOQSRZWMY-JTQLQIEISA-N 238.281 2.741 30 20 BFED N#CC1(CC(=O)NCc2ccco2)CCCCC1 596620475 ZPAHYMRDEOIGIZ-UHFFFAOYSA-N 246.310 2.760 30 20 BFED CCC(CC)CC(=O)N(CC)[C@H](C)C#N 598358612 JIGFEEFNIIJITE-SNVBAGLBSA-N 210.321 2.573 30 20 BFED COCc1cc(C#N)ccc1N1CCC[C@H](F)C1 603373861 WBZKAAQOZXWTBJ-ZDUSSCGKSA-N 248.301 2.643 30 20 BFED C[C@]1(C#N)CCCN(c2ccc(F)cc2C#N)C1 612108142 ZNBKHLGXGSNTCN-CQSZACIVSA-N 243.285 2.827 30 20 BFED C=CCCN(C)C(=O)[C@@H]1CCc2cc(F)ccc21 613842843 XWESZBMSEBMRCC-CQSZACIVSA-N 247.313 2.890 30 20 BFED C=CC[C@H](CC)NC(=O)Cc1ccc(CC)cn1 614396239 JGAVIQFEJMFVLL-ZDUSSCGKSA-N 246.354 2.657 30 20 BFED C=CCN(C(=O)CC1(C)CC1)C(C)(C)C 622945015 OXEINPVFEJWXPJ-UHFFFAOYSA-N 209.333 2.990 30 20 BFED C=CCC1(CNC(=O)C2CSC2)CCCC1 633338727 TUBZNHDSDVJQQJ-UHFFFAOYSA-N 239.384 2.602 30 20 BFED C=CCN1CCO[C@H](c2cccc(F)c2)[C@H]1C 646064141 GUOBOPUJGHOQRQ-RISCZKNCSA-N 235.302 2.774 30 20 BFED C=C(CC)CNCc1cc2cnccc2o1 651825278 KFLMUPCBFHBFSA-UHFFFAOYSA-N 216.284 2.884 30 20 BFED C=CC[C@@H](CC)NC(=O)NC1(C)CC=CC1 654554652 NNDMLQFTPNITKX-LLVKDONJSA-N 222.332 2.749 30 20 BFED C=CCCNC(=O)N[C@@H]1CCCc2occc21 660316345 ZNQZEFRWQGJMIJ-LLVKDONJSA-N 234.299 2.532 30 20 BFED CCCC(=O)c1ncccc1NC[C@H](C)C#N 663674404 RCZTYCSIPXDLEN-SNVBAGLBSA-N 231.299 2.636 30 20 BFED C=CCC[C@@H](CCC)NC1([C@@H](C)O)CC1 668700423 UHSSVQUFSDOIKQ-VXGBXAGGSA-N 211.349 2.624 30 20 BFED O=C(NO)c1cscc1-c1ccccc1 671995926 LKVNSQVLNILSND-UHFFFAOYSA-N 219.265 2.534 30 20 BFED CC#CCCCC(=O)NCc1cc(C(C)C)no1 680998598 RRTKLXYLMISEKV-UHFFFAOYSA-N 248.326 2.608 30 20 BFED C=CCCCCNC(=O)N[C@@H](C)C1CCC1 681164574 OZTXXPDLSORGGT-NSHDSACASA-N 224.348 2.831 30 20 BFED Fc1ccc(NN=C/C=C/c2ccco2)nc1 731322089 XPCOYZUDBJCHSB-KJYHGJOXSA-N 231.230 2.925 30 20 BFED Cc1ccc(/C=C/C(=O)c2cnn(C)c2)cc1F 731489817 NIRGJNUGYJOHJU-AATRIKPKSA-N 244.269 2.764 30 20 BFED Oc1ccccc1/C=N\C[C@H](O)c1ccsc1 739426938 OPYWLERQGQUIMV-GRFABLRMSA-N 247.319 2.606 30 20 BFED CCC(Cc1cccs1)=NNCC(F)F 740617251 UZNLTSSSNVRQLH-UHFFFAOYSA-N 232.299 2.911 30 20 BFED CC(C)CO[C@@H]1CC(=NNCC(F)F)C1(C)C 740617610 CANZNBVPEJRYDM-SNVBAGLBSA-N 248.317 2.668 30 20 BFED C/C(=C/C(=O)N1CCC(C#N)CC1)C(C)(C)C 742598721 MZKATJRESBNIDK-LUAWRHEFSA-N 234.343 2.741 30 20 BFED C#CCCCOC(=O)C1C(C)(C)C1(C)C 747107041 MTHNATXYEBTLQZ-UHFFFAOYSA-N 208.301 2.625 30 20 BFED CCCCCCCCNC(=O)NOCC 754837738 BTNMYLOHJXWDDZ-UHFFFAOYSA-N 216.325 2.598 30 20 BFED CSCCC=NNc1ccc(C#N)cc1 755644102 GFXYRLUIEQDBDC-UHFFFAOYSA-N 219.313 2.709 30 20 BFED CCC(Cc1ccccc1)=NNC1CCOCC1 757591245 DOLHFTLJNNIGJM-UHFFFAOYSA-N 246.354 2.764 30 20 BFED Fc1ccc2oc(C=NNC3CC3)cc2c1 758130089 TUOZFFNJQIVNDB-UHFFFAOYSA-N 218.231 2.658 30 20 BFED CC(C)(C=NOCC(F)F)CCC#N 758902221 FQLZYQSYWBUVTH-UHFFFAOYSA-N 204.220 2.584 30 20 BFED C=CCCC(=O)COC(=O)[C@@H](C)CCC 761385589 RTEMVFNQOFBKNX-JTQLQIEISA-N 212.289 2.501 30 20 BFED CC#CC(=O)N1CCC[C@H]1c1cccc(C)c1 764419810 WKJNAVOZYQWNOL-AWEZNQCLSA-N 227.307 2.682 30 20 BFED C=CCOCC(=O)O[C@@H]1CCC[C@@H](C)[C@H]1C 779275275 OGXAUQDGYRCKJD-IJLUTSLNSA-N 226.316 2.557 30 20 BFED C=C(Cl)COC(=O)[C@@H]1CCO[C@H](CCC)C1 780163433 MCGGFGOZEKBRJI-GHMZBOCLSA-N 246.734 2.877 30 20 BFED C#CCN1CCC[C@H]1/C=C/c1ccccc1 780400374 HYSAXNRBHQGTMV-NKSUMMKUSA-N 211.308 2.797 30 20 BFED C#CCCCCCC(=O)N(CC)C[C@H](C)C#N 780401714 GXPSBCUSKFWXCO-CYBMUJFWSA-N 234.343 2.578 30 20 BFED Clc1ccsc1C=NOC[C@@H]1CCOC1 782283380 OXSMKBHYLCWLPZ-MRVPVSSYSA-N 245.731 2.789 30 20 BFED N#CCC1(COC(=O)[C@H]2CCCCS2)CC1 783389878 IIBMVSRKRXBIOG-SNVBAGLBSA-N 239.340 2.509 30 20 BFED C[C@H]1CCC(=NNc2cnccn2)[C@H](C)C1 783824688 SXSUECKCFLHJJV-VHSXEESVSA-N 218.304 2.701 30 20 BFED CC#CCCCC(=O)OCc1cncc(C)c1 785693871 AHBIJAZPHGEYLL-UHFFFAOYSA-N 231.295 2.627 30 20 BFED C=C[C@H]1CCCCN1Cc1ccccc1O 787311587 WEQFLCURVUCYQW-ZDUSSCGKSA-N 217.312 2.933 30 20 BFED CCc1ccc(C=NOC[C@H]2CCOC2)s1 788032738 XAPDGSSIFHHIAV-JTQLQIEISA-N 239.340 2.698 30 20 BFED CC1(C)CC(=NN[C@H]2CCOC2)CC(C)(C)C1 788441553 LTIKAXVAJSCEDL-NSHDSACASA-N 238.375 2.957 30 20 BFED C=CCC1(C(=O)NCc2cccc(F)n2)CCC1 790808750 RUGAGWMETOROPB-UHFFFAOYSA-N 248.301 2.583 30 20 BFED CC#CCN1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 792906044 NUBMFWJXKSKEBR-UWVGGRQHSA-N 232.154 2.525 30 20 BFED COc1cccc(O)c1/C=N\Cc1occc1C 793657843 YIHAORNLUWVUPP-NVNXTCNLSA-N 245.278 2.921 30 20 BFED CCOc1cccc(C=NOCCSC)c1 794572043 JTPZSGGXAAFAEN-UHFFFAOYSA-N 239.340 2.799 30 20 BFED COCCN(C)N=C1CC(c2ccccc2C)C1 794968586 SCBZTGJOMDZULZ-UHFFFAOYSA-N 246.354 2.807 30 20 BFED Cc1cc(C=NNc2cncnc2)c(C)s1 794977229 YJFRECSGFNNIOG-UHFFFAOYSA-N 232.312 2.601 30 20 BFED C=CCC(C)(C)C(=O)O[C@@H]1CC[C@@H](OC)C1 797243296 KQGVSEATTOJOJO-GHMZBOCLSA-N 226.316 2.699 30 20 BFED CC[C@@H]1C[C@@H](C)CCC1=NNCC(C)(C)CO 799115063 QCMIEMKNXDGOIW-NWDGAFQWSA-N 240.391 2.797 30 20 BFED Cn1cc(NN=C2CCC(C(F)F)CC2)cn1 799485320 JJGACHPDRNCVLE-UHFFFAOYSA-N 242.273 2.643 30 20 BFED CC#CC(=O)N1CCc2ccccc2[C@@H]1CC 801157447 YCOXZFVZYTVUTH-AWEZNQCLSA-N 227.307 2.546 30 20 BFED C#CC(=O)N1C[C@@H](C)CC[C@@H]1c1ccccc1 804528799 NQTCCIVDCUHYCG-GXTWGEPZSA-N 227.307 2.619 30 20 BFED CC(=NOCC1CC1)c1csc(C)n1 814242116 UCACZKNZAJCUGB-UHFFFAOYSA-N 210.302 2.602 30 20 BFED OCCC[C@@H]1CCCCC1=NNC1CCCC1 814832274 BCHWSOFXUGJSTN-LBPRGKRZSA-N 238.375 2.837 30 20 BFED C=CCC(F)(F)C(=O)Nc1ccc(Cl)nc1 814884822 ZVFNWGKAUNHBLT-UHFFFAOYSA-N 246.644 2.885 30 20 BFED COCCC(C)=NNc1ccc(F)cc1C 814885139 OMCGMYGHWQHKPC-UHFFFAOYSA-N 224.279 2.958 30 20 BFED Fc1cccc(NN=Cc2ccc(Cl)o2)n1 814927766 FLWXKELFUVNZIN-UHFFFAOYSA-N 239.637 2.913 30 20 BFED C=CCC(F)(F)C(=O)NC[C@H]1CCCCS1 816057671 KFMHTTCPSFBTEQ-SECBINFHSA-N 249.326 2.600 30 20 BFED C=CCCCCCCN[C@H](C)C[C@H](C)N 817932982 YSVMNHGZNILGOX-QWHCGFSZSA-N 212.381 2.838 30 20 BFED Cc1cccnc1NN=Cc1cncn1C(C)C 819809505 IDVYOUFKKDEZDJ-UHFFFAOYSA-N 243.314 2.613 30 20 BFED C#C[C@H](CCC)NC(=O)N1CC(C)(C)[C@H]1C1CC1 820661944 YZNLAOFNEDIYKR-CHWSQXEVSA-N 248.370 2.618 30 20 BFED C=C[C@H](CC)CC(=O)N[C@@H](C)c1nccn1CC 821309322 RKFWFZLMPBEDCU-NWDGAFQWSA-N 249.358 2.683 30 20 BFED C#CC1CCN(c2nnc(C(C)(C)C)s2)CC1 826714583 DZDBSGLMJIGSNW-UHFFFAOYSA-N 249.383 2.685 30 20 BFED C=CCCCCN1CCCC[C@@H]1C1OCCO1 827667845 MHJHGVWEQPEBOA-CYBMUJFWSA-N 239.359 2.570 30 20 BFED COC[C@@H](N[C@@H](C)CC(C)(C)C#N)C(C)C 829180430 UNJKQGSPZJIFLN-NWDGAFQWSA-N 226.364 2.575 30 20 BFED CC[C@H](C#N)OC(=O)[C@@H]1C[C@H]1CC(C)(C)C 830252349 HFDVMFMUEUHRLT-HBNTYKKESA-N 223.316 2.904 30 20 BFED C=CCONC(=O)NC[C@H](CC)CCCC 834914671 AZCDHLVHVYTMFC-LLVKDONJSA-N 228.336 2.620 30 20 BFED CC[C@H](C)[C@@H](C=NNc1ncccc1F)OC 834977472 LHJAXDUTCJSZBN-GXSJLCMTSA-N 239.294 2.680 30 20 BFED C[C@@H]1CC[C@H](C=NNc2ccc(C(=O)O)nc2)C1 835010289 WJKFRABKAHPBNQ-ZJUUUORDSA-N 247.298 2.614 30 20 BFED C=C[C@H](C)OC(=O)[C@@H]1CC12CCSCC2 835328893 TUCVLUOWCDWBJS-UWVGGRQHSA-N 226.341 2.637 30 20 BFED C=CCC1(C(=O)O[C@@H](C)C(C)=O)CCCC1 838280493 OWTIQQWZIIXUBH-NSHDSACASA-N 224.300 2.644 30 20 BFED C#CCC[C@H](C)OC(=O)C1(CCOC)CCC1 839037306 QCAFRRKPGARTNA-LBPRGKRZSA-N 238.327 2.538 30 20 BFED CON(CCC#N)C[C@H]1CCC[C@H](C)C1 839606179 OAIPEGHKYAUASW-RYUDHWBXSA-N 210.321 2.590 30 20 BFED CC[C@@H](C#N)OC(=O)[C@@H]1CCc2ccccc2C1 845217444 XBMHTQIVRWGNBZ-KGLIPLIRSA-N 243.306 2.637 30 20 BFED C=C[C@H](C)OC(=O)COC[C@H](C)c1ccccc1 845522121 JUPIGMCINLQVAB-STQMWFEESA-N 248.322 2.924 30 20 BFED C=C(C)CONC(=O)[C@H]1CCC[C@H]1CCC 846533566 BKDJMKCJXPQLMN-NEPJUHHUSA-N 225.332 2.827 30 20 BFED C=C[C@H](C)OC(=O)[C@H](C)Cc1ccc(C#N)cc1 847687971 YICVVVQWADEZFR-NEPJUHHUSA-N 243.306 2.855 30 20 BFED C[C@@H](C#N)OC(=O)CCCc1ccc(F)cc1 848843627 SLENRAKDEDAMBF-JTQLQIEISA-N 235.258 2.604 30 20 BFED C=CCCN[C@@H]1CC[C@H]2SCCS[C@H]12 850502266 MZKAYMIZWWQMTO-GMTAPVOTSA-N 229.414 2.532 30 20 BFED CC(=NOCC1CCC1)c1cc(O)ccc1O 853439933 PYQTYMLEJQEFBL-UHFFFAOYSA-N 235.283 2.639 30 20 BFED C[C@@H](C#N)N(C(=O)/C=C\C1CCCC1)C1CC1 855586613 SKIMXWXHFLKRHI-WDDYJBPVSA-N 232.327 2.636 30 20 BFED CCCCCCCNC(=O)[C@@H](C)SC 862360625 UUTSHYQDCNFPEM-SNVBAGLBSA-N 217.378 2.825 30 20 BFED CCOC1CC(ON=Cc2cccs2)C1 863452629 PEBDXIXDRBSWQG-UHFFFAOYSA-N 225.313 2.666 30 20 BFED C=C1CCN(C(=O)Nc2ccc(C)cn2)CC1 865932582 XOXSBGOCEFWNNY-UHFFFAOYSA-N 231.299 2.574 30 20 BFED Cc1[nH]c(C#N)cc1C(=O)OCCCC1CC1 869532926 YPLGJGOLXLGDQW-UHFFFAOYSA-N 232.283 2.542 30 20 BFED C#CCc1c(C)nn(C2CCCC2)c1C 871943212 BZUFBBZWKFCRCO-UHFFFAOYSA-N 202.301 2.791 30 20 BFED Fc1ccccc1CCNN=C1CCC[C@@H]1F 872358480 FKZOQEAGPAJPCU-LBPRGKRZSA-N 238.281 2.836 30 20 BFED C[C@@H](CCC#N)CNC12CCC(CC1)C2 877310103 ZHCAIJBAAOFNLH-HIFPTAJRSA-N 206.333 2.849 30 20 BFED C=CC(C)(C)CC(=O)NCC1CC=CC1 880829950 QEHMXXYQBPVIKQ-UHFFFAOYSA-N 207.317 2.671 30 20 BFED Cc1ccc(NC[C@H]2CCCSC2)c(C#N)n1 882374619 HOGWBUBNSZWERV-LLVKDONJSA-N 247.367 2.817 30 20 BFED C=CC1(OC(=O)CCCc2cccnc2)CC1 893359542 UTENQHRPDGMSCA-UHFFFAOYSA-N 231.295 2.666 30 20 BFED CC#CCN(C)Cc1c(C)nn(C(C)C)c1C 897170151 YGQPXOCWKFNVFR-UHFFFAOYSA-N 233.359 2.536 30 20 BFED C#Cc1ccc(N[C@@H](C)CCn2cccn2)cc1 898500133 WWWXBDWOEQURSX-ZDUSSCGKSA-N 239.322 2.755 30 20 BFED C=CCCCC(=O)NN1[C@@H](C)CCC[C@@H]1C 907987405 CIAVUJWRZYMLSF-RYUDHWBXSA-N 224.348 2.637 30 20 BFED C=CCCCCCCNC(=O)O[C@@H]1CCOC1 915632352 OIRCGCNTMCCZCJ-GFCCVEGCSA-N 241.331 2.638 30 20 BFED Cc1nc(C#N)c(NN=Cc2ccc(C)s2)o1 917555373 PAYHHUQCTUQKRH-UHFFFAOYSA-N 246.295 2.671 30 20 BFED C=CCOC(=O)c1cnn(C(C)(C)C)c1CC 919387135 KUOAECYAOGDHSP-UHFFFAOYSA-N 236.315 2.543 30 20 BFED N#Cc1ccc(COC(=O)[C@@]23CCC[C@@H]2C3)cc1 924429857 YCBMUKZYFXNKHF-UKRRQHHQSA-N 241.290 2.792 30 20 BFED C=CCN1CCC(N[C@H](C)CC(C)(C)C#N)CC1 924984984 ZJGKOUUPTHARAY-CYBMUJFWSA-N 249.402 2.555 30 20 BFED C=CCC1(c2nnc(-c3ccnnc3)o2)CCC1 1118082065 LRMHJIOXTHQAEU-UHFFFAOYSA-N 242.282 2.524 30 20 BFED Cc1cc(C#N)cc(NC(=O)C[C@H](C)C2CC2)n1 1119457929 CUZUGOQKKKELSQ-VIFPVBQESA-N 243.310 2.636 30 20 BFED C#CCCCCCC(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 1120283499 RVQNWASFYXTIAD-SOUVJXGZSA-N 245.366 2.899 30 20 BFED C=C(C)CCC(=O)N(CC)Cc1ccoc1 1121035336 LLVPUWCYWDGUBN-UHFFFAOYSA-N 221.300 2.984 30 20 BFED C=CCn1c(CCC)nnc1N1CC[C@@H](CC)C1 1121617489 NDHUUCGVGJLGNE-GFCCVEGCSA-N 248.374 2.653 30 20 BFED C=C[C@@H](CC)CC(=O)OCCc1nccs1 1122993950 WUNBUVADLIAWLQ-JTQLQIEISA-N 239.340 2.831 30 20 BFED CSCCCOC(=O)CC#Cc1ccccc1 1323903287 BESXLTJSJFBYTE-UHFFFAOYSA-N 248.347 2.725 30 20 BFED C#CCN(CC1CC1)C(=O)N[C@H]1CCC[C@@H](C)C1 1327598937 HWPQVWILWHUHHG-OCCSQVGLSA-N 248.370 2.620 30 20 BFED C#Cc1ccc(NCCOCC2CCCC2)nc1 1336652032 ZUYMHEMJYAWBNN-UHFFFAOYSA-N 244.338 2.682 30 20 BFED C=C[C@@H](CC)CC(=O)OCC(F)(F)F 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C=CCN(CC=C)CCOc1ccc(OC)cc1 52868137 KMRBIWLUDSLTGU-UHFFFAOYSA-N 247.338 2.748 30 20 BFED C[C@@H]1CCCN(C(=O)C2(C#N)CCCC2)CC1 68778185 KOQLTTBIVHMCPZ-GFCCVEGCSA-N 234.343 2.719 30 20 BFED N#CCSCCCSc1nccs1 75076422 RPSHQXLYFOBDGE-UHFFFAOYSA-N 230.383 2.882 30 20 BFED N#C[C@H]1CCCN(C(=O)CC2CCCCC2)C1 79826815 IUCGFDOZCCYWRS-CYBMUJFWSA-N 234.343 2.719 30 20 BFED N#Cc1ccccc1NC(=O)C1CCSCC1 82338409 LFENSIVAXSIHQY-UHFFFAOYSA-N 246.335 2.640 30 20 BFED Cc1coc(C(=O)Nc2ccc(C#N)cc2)c1 82338707 ZXODSHGMOWJXAH-UHFFFAOYSA-N 226.235 2.712 30 20 BFED CSc1cccc(NC(=O)NC[C@H](C)C#N)c1 84907423 JBZVWPWBYITSMF-SECBINFHSA-N 249.339 2.690 30 20 BFED CCC(CC)n1ccc(CN(C)[C@H](C)CC#N)n1 85175157 ZDEQRFOGKXSXEP-GFCCVEGCSA-N 248.374 2.978 30 20 BFED CC1(C)CCC[C@@H]1Nc1ccnc(C#N)c1 86876044 SERDQPMPKFXRCX-LBPRGKRZSA-N 215.300 2.944 30 20 BFED C=CCCCCCN(C)C(=O)[C@@H]1CCO[C@H]1C 92412812 CTOHMHFZOHEZBR-QWHCGFSZSA-N 239.359 2.616 30 20 BFED Cc1cc(CN(C)[C@H](C)CC#N)ccc1F 93090707 YCMYQUBMFLIEMA-LLVKDONJSA-N 220.291 2.868 30 20 BFED CC(C)CC1(CNC(=O)CC#N)CCCC1 94877695 HOIYUNZDGMUEHZ-UHFFFAOYSA-N 222.332 2.623 30 20 BFED C=C(C)COC(=O)[C@@H](C)Oc1ccc(C)cc1 98069958 LXDZRCBVGCXAOV-GFCCVEGCSA-N 234.295 2.882 30 20 BFED C=CCc1cc(CN2CCCC2)cc(OC)c1O 113316785 QDTHNEODEZXWOO-UHFFFAOYSA-N 247.338 2.725 30 20 BFED Cc1ccccc1[C@@H](C)CC(=O)N(C)CCC#N 116179852 PHCNHXYTZIYGHZ-ZDUSSCGKSA-N 244.338 2.861 30 20 BFED C=CCCCn1cnc2sc(CC)cc2c1=O 117549402 ULPKLMYYNJKSBD-UHFFFAOYSA-N 248.351 2.987 30 20 BFED CCN(CC#N)C(=O)CC1(C)CCCCC1 121019159 BEEOEHBHGPLGOQ-UHFFFAOYSA-N 222.332 2.719 30 20 BFED C[C@H]1C[C@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 122503495 WKSHMCLAFRXOSQ-GXSJLCMTSA-N 245.326 2.709 30 20 BFED C=C(C)CNC(=O)c1cccc(-n2cccc2)c1 122954629 YGBDHPOYIMPLOC-UHFFFAOYSA-N 240.306 2.783 30 20 BFED CCOc1cccc(CN(CC)CCC#N)c1O 127622008 FFXZCYCJQNXBPZ-UHFFFAOYSA-N 248.326 2.526 30 20 BFED C=C(Cl)CNCc1ccc(COC)cc1 128952935 MTUNBKASSPCGRH-UHFFFAOYSA-N 225.719 2.675 30 20 BFED C[C@@H](NCc1ccc(C#N)cc1)c1cncs1 129098440 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C[C@@H](CC#N)NC(=O)[C@H](c1ccccc1)C1CC1 179688914 YZWWICVTRGNKEN-SMDDNHRTSA-N 242.322 2.599 30 20 BFED C#CCSCCN[C@H]1c2ccccc2C[C@H]1C 181093015 LDOCQKBSKZOWGX-IUODEOHRSA-N 245.391 2.876 30 20 BFED C=CCCC[C@H](C)NC(=O)CC[C@@H](C)OC 181944024 RYVHLTLZHXTPNO-NWDGAFQWSA-N 227.348 2.663 30 20 BFED C#CCC(C)(C)C(=O)N(C)Cc1ccccc1 184857130 DTCLKVPLHAVURS-UHFFFAOYSA-N 229.323 2.695 30 20 BFED Cc1cnc(CN[C@H]2CCC[C@@H](C#N)C2)s1 185834785 GZXRZNADCWDXLO-MNOVXSKESA-N 235.356 2.624 30 20 BFED C#CCCCC(=O)N[C@H](C)Cc1ccc(C)s1 192131056 NZISBSXCXJSTIL-LLVKDONJSA-N 249.379 2.907 30 20 BFED C=C(Br)CNC(=O)C[C@@H](C)CCC 195358655 XPUMVLVVEGELRI-QMMMGPOBSA-N 248.164 2.838 30 20 BFED CC(C)(C)[S@@](=O)/N=C/c1ncccc1Cl 224193592 BTUUNHWXZRCLLJ-MYWXAZLQSA-N 244.747 2.616 30 20 BFED C=C(Cl)CN(CCCN)Cc1ccccc1 230026195 GSZWJADBFMGHHV-UHFFFAOYSA-N 238.762 2.590 30 20 BFED C#C[C@H](CC)Nc1cc(C)ccc1[N+](=O)[O-] 234063074 TZOABLWAPFIOHU-SNVBAGLBSA-N 218.256 2.727 30 20 BFED CC[C@](C)(C#N)C(=O)N1CCC[C@H](C)[C@H]1C 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C=C(C)Cn1c(C)nnc1N1CCC[C@@H]1C(C)C 290890316 BOZURKMFDFTUNS-CYBMUJFWSA-N 248.374 2.787 30 20 BFED C#Cc1ccccc1CC(=O)NCCCCC=C 291245608 JPDGOZABHWQBPO-UHFFFAOYSA-N 241.334 2.683 30 20 BFED Cc1nc(N[C@@H]2CCCSC2)ccc1C#N 292027974 UCKGNNFWXCKGFS-LLVKDONJSA-N 233.340 2.569 30 20 BFED C#CCCCn1cnc2c1C[C@H](C)[C@H](C)C2 296030541 RXLILEZIPHJTLH-NEPJUHHUSA-N 216.328 2.667 30 20 BFED CSC1CCN(c2cc(C)nc(C#N)c2)CC1 308282764 YFKQRSZVQDSJCB-UHFFFAOYSA-N 247.367 2.594 30 20 BFED Cc1nc(C#N)cc(N[C@@H]2CCC[C@H](C)[C@@H]2C)n1 308326551 GRERJMHMYKNNPH-OUJBWJOFSA-N 244.342 2.893 30 20 BFED Cc1nc(C#N)cc(N[C@@H]2CCC[C@H](C)C2)n1 308396620 DOZNBTRYSIVKAE-GXSJLCMTSA-N 230.315 2.647 30 20 BFED Cc1cscc1CN[C@@H]1CC[C@@H](C#N)C1 309176672 MYGARWFCSDAWCB-ZYHUDNBSSA-N 220.341 2.838 30 20 BFED C=CCC[C@@H](CC)NC[C@](C)(O)CCC 309191100 PQKHOXMGXXSLHB-CHWSQXEVSA-N 213.365 2.872 30 20 BFED N#C[C@@H]1CCC[C@H]1NC1CCC2(CC1)CC2 309543903 YZTUKCAFAVXMRM-WCQYABFASA-N 218.344 2.991 30 20 BFED CN(CCC1CC1)c1cc(C#N)cc(Cl)n1 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20 BFED COc1ccc(NN=C(C)C[C@@H]2CCOC2)cc1 750926386 WMLGFQMJHRJMMD-LBPRGKRZSA-N 248.326 2.910 30 20 BFED CC(C)=C(C)C(=O)Nc1ccc(F)c(C#N)c1 751373306 OOOLPAFFTLJCAH-UHFFFAOYSA-N 232.258 2.992 30 20 BFED Cc1cc(C)c(C=NO[C@H]2CCCCO2)[nH]1 755813436 GNELAJKAGQZVMW-LBPRGKRZSA-N 222.288 2.509 30 20 BFED COc1ccc(C=NO[C@H]2CCCCO2)cc1 755822055 KBFUITDEOQKSRH-ZDUSSCGKSA-N 235.283 2.572 30 20 BFED C#CCN(c1nc2cc(C)ccc2o1)C1CC1 763562433 RBQPLXKFYQZCJB-UHFFFAOYSA-N 226.279 2.738 30 20 BFED C[C@@H](C=NNc1cccc([N+](=O)[O-])c1)CCC#N 765992484 LCMWQUXFKQSKCT-SNVBAGLBSA-N 246.270 2.932 30 20 BFED C[C@@H]1C[C@@H]1c1ccc(C=NNCC(F)(F)F)o1 769822131 QUCYUWRMEBLLPB-APPZFPTMSA-N 246.232 2.889 30 20 BFED CC1(C(=O)OCC#Cc2ccc(F)cc2)CCC1 771368254 IMUMMMFROUMKHG-UHFFFAOYSA-N 246.281 2.911 30 20 BFED C[C@H]1C[C@H]1C(=O)OCC#Cc1cccc(Cl)c1 773105377 NJKQXROMJGVESC-GXFFZTMASA-N 248.709 2.891 30 20 BFED C#C[C@H](N[C@@H]1CCCC(C)(C)C1)[C@@H]1CCCO1 775573292 GONJPSBSCQZJAF-RDBSUJKOSA-N 235.371 2.726 30 20 BFED CCCC(CC)=NNc1ccc(C(=O)O)cn1 776187017 CPRVEVLKCPCSAS-UHFFFAOYSA-N 235.287 2.758 30 20 BFED CCCCCNC(=O)Cc1ccccc1CC#N 776725978 QXZFOFXBXYLPIC-UHFFFAOYSA-N 244.338 2.602 30 20 BFED COC[C@@H](C)NN=C(C)[C@@H](C)c1ccccc1 777901411 KXFOYLZRUOWGAP-VXGBXAGGSA-N 234.343 2.791 30 20 BFED C[C@H]1C[C@@H]1C=NNc1cc(Cl)ccn1 777905381 JAVCWSUXVDOAKB-JGVFFNPUSA-N 209.680 2.789 30 20 BFED C[C@@H]1C[C@H]1C=NNc1cc(Cl)ccn1 777905382 JAVCWSUXVDOAKB-SFYZADRCSA-N 209.680 2.789 30 20 BFED CC(C)(C#N)CCCOC(=O)c1ccc(O)cc1 782005740 COCPSEQWSNJJBV-UHFFFAOYSA-N 247.294 2.879 30 20 BFED CCOc1c(Cl)cccc1C=NNC1CC1 782267023 AIKATIXRPOZUPT-UHFFFAOYSA-N 238.718 2.825 30 20 BFED CC1(C)CCC[C@H]1NN=C1CCn2cccc21 782289704 XAMWTQSZNNQSFO-CYBMUJFWSA-N 231.343 2.764 30 20 BFED Cc1cccc(C(=O)OCCCC(C)(C)C#N)n1 782301868 CWZNVTXYLQIHRG-UHFFFAOYSA-N 246.310 2.877 30 20 BFED CC[C@@H]1CC(=NNCCC(C)(C)C)CCO1 782903043 NHLJKKNSVHWGSH-GFCCVEGCSA-N 226.364 2.957 30 20 BFED C#CCCCCNC(=O)CCCc1ccsc1 783054680 BOZOFUDPRBQZLM-UHFFFAOYSA-N 249.379 2.991 30 20 BFED COc1ccnc(NN=C2CC[C@@H](C)C[C@@H]2C)n1 783828730 RHAICAJPHJLQKV-ZJUUUORDSA-N 248.330 2.709 30 20 BFED CC(C)ON=C1CCOc2c(F)cccc21 788509723 YPPAIOLDCINPKH-UHFFFAOYSA-N 223.247 2.737 30 20 BFED CC1(C)CCCC1=NNCCc1ccccn1 789124772 LYBOTXZYBOOJGQ-UHFFFAOYSA-N 231.343 2.780 30 20 BFED CC(=NNc1ncccc1C)c1ccc(N)cc1 790187608 YKRHIDWNXHKMRQ-UHFFFAOYSA-N 240.310 2.808 30 20 BFED CC[C@H](C)NN=Cc1ccc(C)c(F)c1 790187692 GSEPBIHXSKRNSF-JTQLQIEISA-N 208.280 2.856 30 20 BFED CSCCON=C(C)c1csc(C)n1 794573115 RKHQTCZGSINJKE-UHFFFAOYSA-N 230.358 2.555 30 20 BFED CSCCON=C(C)CN1CCCCCC1 794574019 RLLNYAGWMSOYLU-UHFFFAOYSA-N 244.404 2.618 30 20 BFED CCc1ccc(C=NOCCCOC)s1 795043287 AJMCBANTVWQAIH-UHFFFAOYSA-N 227.329 2.698 30 20 BFED N#Cc1ccc(C(=O)OCC2CCCCC2)o1 796127254 IAEFYMVKLLPCRT-UHFFFAOYSA-N 233.267 2.888 30 20 BFED CC(C)c1occc1C(=O)OCCCC#N 796393053 GJGVVKYNCRBKLY-UHFFFAOYSA-N 221.256 2.864 30 20 BFED C[C@H](CC(=O)OCCCSCC#N)C1CC1 805427028 YFKRGQSGWQUKAA-SNVBAGLBSA-N 241.356 2.613 30 20 BFED Cc1cc([N+](=O)[O-])ccc1NN=CC1CC1 807990154 VPEXRRAYURFWMD-UHFFFAOYSA-N 219.244 2.711 30 20 BFED C#C[C@H](NC(=O)NC(CC)CC)C(C)(C)C 808187301 BYWVPSCQIFMKGU-NSHDSACASA-N 224.348 2.522 30 20 BFED C[C@H](NN=C1CCC(C(=O)O)CC1)C(C)(C)C 814938243 HYRCRMHDFTUSSI-RGURZIINSA-N 240.347 2.641 30 20 BFED C#Cc1ccc(CN[C@@H](C)[C@@H](OC)C2CC2)cc1 825099031 RZTNEBGOVWRYMA-BLLLJJGKSA-N 243.350 2.571 30 20 BFED C#CCN(C)Cc1c(C)cccc1Cl 829158836 GEQNJGQFTHZVBU-UHFFFAOYSA-N 207.704 2.713 30 20 BFED C=C(C)CCN(C)C[C@@]1(O)CCc2ccccc21 829375566 JMNLCQKIKHVBHG-INIZCTEOSA-N 245.366 2.718 30 20 BFED CC(C)C#CC(=O)N[C@@H](C)[C@H](C)c1ccccc1 829533522 DKSLHQFEIVBYEE-KBPBESRZSA-N 243.350 2.954 30 20 BFED C=C[C@H](C)NC(=O)[C@@](C)(F)CCCC 829976617 SLDTXUBFHGRJPG-ONGXEEELSA-N 201.285 2.596 30 20 BFED Cc1cccc(F)c1NC(=O)C#CC(C)C 831733035 PUXDBSORZOSEFI-UHFFFAOYSA-N 219.259 2.732 30 20 BFED C#CCCc1noc([C@@]2(C)CCC[C@@H]2C)n1 834585384 OICYJZXAVVWLEV-GWCFXTLKSA-N 218.300 2.713 30 20 BFED C[C@@H]1CC[C@@H](C)C(=NNc2cnccn2)C1 834938699 NYBBAKSFFZYYRH-NXEZZACHSA-N 218.304 2.701 30 20 BFED C=CCON=Cc1cc(OC)cc2c1O[C@H](C)C2 835013133 IYGDKOOQIFITGA-SNVBAGLBSA-N 247.294 2.555 30 20 BFED C=CCON=C1CC[C@@H](C(=O)O)C(C)(C)[C@@H]1C 835016414 YYCFSVIEEAJDSW-ZJUUUORDSA-N 239.315 2.702 30 20 BFED Cc1ccc(F)c(CC(=O)O[C@@H](C#N)C2CC2)c1 835195058 OXCVORYIFRTORX-ZDUSSCGKSA-N 247.269 2.522 30 20 BFED C=C[C@H](CC)OC(=O)[C@@H]1C[C@H]1c1cccnc1 835273451 CTFSXFXLCWMAPR-FRRDWIJNSA-N 231.295 2.693 30 20 BFED C=CCCCC(=O)OC[C@@H](OC)[C@H](C)CC 835625582 DMSUTCKAUZBDHV-VXGBXAGGSA-N 228.332 2.947 30 20 BFED CC(C)(C)C#CC(=O)N1CC2(CCCCC2)C1 837522911 XPUIRGHGEXEOOW-UHFFFAOYSA-N 233.355 2.829 30 20 BFED C=CCONC(=O)N(C1CC1)[C@@H](C)[C@H](C)CC 838706307 NRERNOWNNJXLJZ-MNOVXSKESA-N 240.347 2.713 30 20 BFED Cc1cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)ccn1 839059967 SHSIXNKFUIGTOF-AAEUAGOBSA-N 244.294 2.629 30 20 BFED C=CCC(F)(F)C(=O)N[C@@H]1CCCC[C@H]1F 839850831 BOZNSWLSZRGCCP-RKDXNWHRSA-N 235.249 2.595 30 20 BFED 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242.274 2.849 30 20 BFED CC(C)(O)CNN=C1CC[C@H](c2ccccc2)C1 863136487 GLSCZNZHJQJUBO-ZDUSSCGKSA-N 246.354 2.671 30 20 BFED C=C[C@@](C)(CC)COC(=O)c1nocc1C 870307681 KALDXFAVWPCYSX-LBPRGKRZSA-N 223.272 2.742 30 20 BFED C=CCCCCNCc1cnn(C)c1C1CC1 893653554 AGILRRAEKDDOGY-UHFFFAOYSA-N 233.359 2.743 30 20 BFED C=C1CCN(C(=O)N[C@H]2CC[C@H](C)C2)CC1 894326377 CWIPRXXVIRBJHK-RYUDHWBXSA-N 222.332 2.537 30 20 BFED C#C[C@H](CC)NCc1ccc(SC)o1 894738813 YBISXCXCEFIDRC-SECBINFHSA-N 209.314 2.503 30 20 BFED CC(C)(CCC#N)CN1CC[C@H](CF)C1 895573156 NPXXGILXTSDVKB-LLVKDONJSA-N 212.312 2.608 30 20 BFED C=C1CC(c2noc(C[C@@H]3CCCCO3)n2)C1 896882392 KFFYSXAAHLGAKF-NSHDSACASA-N 234.299 2.615 30 20 BFED C=CCN(CC(=O)O)C[C@@H](CC)c1ccccc1 901587438 UUNOYPTYNUNXDB-CYBMUJFWSA-N 247.338 2.753 30 20 BFED C=CCC[C@@H](N[C@@H](C)CCC1CC1)C(=O)O 901693979 XZIMUJJGHWSGPY-CMPLNLGQSA-N 225.332 2.574 30 20 BFED C=CCCCN[C@@H](C(=O)O)c1ccc(C)c(C)c1 905378434 CODIMPFGONGSNS-CQSZACIVSA-N 247.338 2.985 30 20 BFED 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232.283 2.749 30 20 BFED C=C[C@@H](COC)N[C@@H](C)c1ccc(C)cc1O 1320305971 KCHIGJOCRJBCOK-RYUDHWBXSA-N 235.327 2.552 30 20 BFED C=C[C@@H](COC)N[C@@H](C)C1CCC(F)(F)CC1 1324469000 YXEZKXOVKHJQPP-JQWIXIFHSA-N 247.329 2.991 30 20 BFED C#CCOC(=O)[C@H]1CC[C@H](C2CCC2)CC1 1327184912 QWUFFERYBTWBGD-JOCQHMNTSA-N 220.312 2.769 30 20 BFED C=CC(=O)N(CCC#N)c1ccc(OCC)cc1 1335316805 LNFBUHPNKJGQRZ-UHFFFAOYSA-N 244.294 2.518 30 20 BFED C=CCC[C@@H]1CCCN1c1nnc(C(C)C)n1C 1338209842 KUQWRUVTAOURMH-GFCCVEGCSA-N 248.374 2.874 30 20 BFED C[C@@H]1CCCC(=NNc2ccn(C)n2)[C@@H]1C 1338902992 CDNBCAIFDQBMOV-NXEZZACHSA-N 220.320 2.644 30 20 BFED C#C[C@H](CC)OC(=O)c1cc(Cl)cn1CC 1343282157 GMTAUXDSOTUIRR-SNVBAGLBSA-N 239.702 2.730 30 20 BFED C#CCC[C@H](C)OC(=O)c1cc(C)co1 1344560101 PWSGDVDUZMDRPW-JTQLQIEISA-N 206.241 2.547 30 20 BFED C=CC[C@H](C)NC(=O)c1cc2c(o1)CCCC2 1347670824 JQBCEPSJKBRRTP-JTQLQIEISA-N 233.311 2.853 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)Cc1cccc(F)c1 1349905506 CGNFTWFIIUCEMX-ZDUSSCGKSA-N 248.301 2.519 30 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473975806 HKOGZUAOQLVCEB-NSHDSACASA-N 224.348 2.640 30 20 BFED C#C[C@@H](CC)NC(=O)C1(Cc2ccccc2)CC1 491663511 NALSCQPOVDJCDO-AWEZNQCLSA-N 241.334 2.537 30 20 BFED C#CCN[C@@H](c1ccccc1)C1(CO)CCCC1 491775482 YCJOJZXSJSLCDR-HNNXBMFYSA-N 243.350 2.503 30 20 BFED CCC(C#N)(CC)C(=O)N1CC2(CCCC2)C1 529075077 VIYYIRVIHLVSBH-UHFFFAOYSA-N 234.343 2.719 30 20 BFED CC(C)(CCC#N)CNC(=O)[C@H]1C[C@H]2CC[C@H]1C2 553730590 WDOLZJOMQNAGQI-AVGNSLFASA-N 248.370 2.869 30 20 BFED CC(=O)[C@@H](C)S[C@@H](C#N)c1ccccc1 564666170 FXJZGHUKNCTAJM-PWSUYJOCSA-N 219.309 2.962 30 20 BFED CC(C)C[C@@H]1CCCN(c2ncncc2C#N)C1 576866879 PXAAEOADZXFDDG-LBPRGKRZSA-N 244.342 2.611 30 20 BFED C=CCCCCN1CC[C@@H](C)C[C@H]1C(=O)O 582365992 UYEOOUUKAPZHIE-NEPJUHHUSA-N 225.332 2.528 30 20 BFED CC1CC(C#N)(C(=O)N2CCC(C3CC3)CC2)C1 590426223 PRWBRUSMNQSQPC-UHFFFAOYSA-N 246.354 2.575 30 20 BFED CC[C@@H](C#N)C(=O)N1CC[C@@H]1c1ccccc1 593408760 SSHXNOJAYRBXLW-WCQYABFASA-N 228.295 2.510 30 20 BFED CC[C@H](C#N)C(=O)N(C1CC1)[C@H](C)[C@H](C)CC 593449972 CJFRXASGYMBAJC-IJLUTSLNSA-N 236.359 2.962 30 20 BFED CC[C@H](C#N)N(C)C(=O)[C@@H]1CCCC1(C)C 594087656 NIHJXVZZWIONLJ-MNOVXSKESA-N 222.332 2.573 30 20 BFED N#C[C@H]1CC[C@H](NCCCC2CCC2)C1 595081634 TXDAYZPHZNVCTP-STQMWFEESA-N 206.333 2.849 30 20 BFED CCN(CCSC)[C@H](C#N)c1ccccc1 595567675 MCFXWWBZUCYUFB-CYBMUJFWSA-N 234.368 2.936 30 20 BFED C[C@H](C#N)N(Cc1cnn(C(C)(C)C)c1)C1CC1 595711331 YRFSHVJCPHJYJC-LLVKDONJSA-N 246.358 2.515 30 20 BFED N#CCC1(COc2cccc3cnoc23)CC1 596282149 DARWAVYFNSBIGO-UHFFFAOYSA-N 228.251 2.900 30 20 BFED CC1C[C@@H]2CC[C@H](C1)N2c1ccc(C#N)nc1 596540773 HDVGBKXLDZLCCD-VGPLMAKISA-N 227.311 2.721 30 20 BFED CC[C@@H](CC(C)C)C(=O)N(CC)[C@@H](C)C#N 598351096 VXEVBHVNYQFKMQ-RYUDHWBXSA-N 224.348 2.819 30 20 BFED CCN(C(=O)C[C@@H](C)c1ccco1)[C@H](C)C#N 600109591 MQFOTURFYMXIOZ-GHMZBOCLSA-N 234.299 2.534 30 20 BFED COc1cccc(NC(=O)CCCC#N)c1C 600308380 GAEAIAHODPJNSR-UHFFFAOYSA-N 232.283 2.636 30 20 BFED Cc1nnc(S[C@@H](C#N)C2CC2)n1C(C)C 601081537 QHRZFGALXCTHDD-JTQLQIEISA-N 236.344 2.562 30 20 BFED N#CCCCCCc1nc(COC2CCC2)no1 601965599 WKTJGIIPTAEARU-UHFFFAOYSA-N 249.314 2.765 30 20 BFED COc1cccc(CNC[C@H](C)CCC#N)c1 602505739 ALMMVGNCXLRTBV-GFCCVEGCSA-N 232.327 2.725 30 20 BFED CC[C@](C)(NCCC#N)c1ccc(F)cc1 602926123 MIHMXHDCOJXBQB-ZDUSSCGKSA-N 220.291 2.954 30 20 BFED C[C@H]1CCN(C(=O)Nc2cc(F)cc(C#N)c2)C1 603075136 WPMWAVNTIIZYDF-VIFPVBQESA-N 247.273 2.571 30 20 BFED CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CC12CCC2 610738797 DTWXFPLRGXADFC-LBPRGKRZSA-N 248.370 2.965 30 20 BFED C=CCCC(=O)N1CCOc2ccccc2[C@H]1C 621142713 CWRZJVHTGYTXHG-GFCCVEGCSA-N 245.322 2.935 30 20 BFED C=CCCC(C)(C)NCc1ccn(C)c1 657804729 CHOVAVQWKINBAR-UHFFFAOYSA-N 206.333 2.860 30 20 BFED C=CC(C)(C)CNC(=O)N[C@@H](CC)C1CC1 661269477 TYWAWWGVPRZDSH-NSHDSACASA-N 224.348 2.686 30 20 BFED C=CCCNC(=O)NC[C@@H](C)c1ccc(C)cc1 661570396 FOBOWISGTXWACK-CYBMUJFWSA-N 246.354 2.974 30 20 BFED COCC#CCN1CCC[C@H]1c1cccs1 677817552 QAJKCWHWYILPAB-LBPRGKRZSA-N 235.352 2.535 30 20 BFED C=CC(C)(C)CN[C@H](C)C[C@H]1CCOC1 689799619 JTOPSLXGBKWNQG-VXGBXAGGSA-N 211.349 2.603 30 20 BFED C#C[C@@H](N[C@@H](C)CC(C)(C)C#N)C(C)(C)C 702304405 BSYJMMYYHJGULM-NWDGAFQWSA-N 220.360 2.952 30 20 BFED CCN(CCC#N)Cc1ccc2c(c1)C[C@H](C)O2 720819369 CVOLQHPXHKNNKW-LBPRGKRZSA-N 244.338 2.746 30 20 BFED C=CCN(C(=O)N[C@H]1CCC[C@H]1C)C(C)C 729623444 JDXSIUWXJAUANH-NEPJUHHUSA-N 224.348 2.781 30 20 BFED CC#CCOC(=O)[C@@H](C)Cc1ccc(F)cc1 744874795 SUOFEBAHKIHMSS-NSHDSACASA-N 234.270 2.571 30 20 BFED CC1(C(=O)OCc2ccc(C#N)cc2F)CCC1 750532066 DKDKOGGHZNOCBD-UHFFFAOYSA-N 247.269 2.931 30 20 BFED Oc1ccccc1/C=N\Cc1ncccc1F 751516961 CSUFOHAQMHYRSV-NVNXTCNLSA-N 230.242 2.545 30 20 BFED C#C[C@H](CC)NC(=O)NCC1CCC(C)CC1 753259697 UMLQTKHGQAHCBB-WXRRBKDZSA-N 236.359 2.524 30 20 BFED C1=CC[C@@H](C=NO[C@H]2CCCCO2)CC1 755814191 LONLRIPOZOTEQK-NEPJUHHUSA-N 209.289 2.872 30 20 BFED CCOc1ccccc1C=NO[C@@H]1CCCCO1 755823607 QWXIQLVGBHFUQV-CQSZACIVSA-N 249.310 2.962 30 20 BFED CCCC(=NNC1CCOCC1)c1ccccc1 757591084 PLPTZZGCHKDWSB-UHFFFAOYSA-N 246.354 2.959 30 20 BFED COc1cc(F)ccc1NN=C[C@H]1C[C@H]1C 761884509 HOZVRURHZMLTEM-RKDXNWHRSA-N 222.263 2.888 30 20 BFED C#CCCCCCc1nc([C@H]2CCCO2)no1 762242562 DUTMYLUCPZDTSC-LLVKDONJSA-N 234.299 2.657 30 20 BFED C#CCCCCCc1nc(C2(OC)CCC2)no1 762389762 VHJYLMUQEAXGLX-UHFFFAOYSA-N 248.326 2.831 30 20 BFED C[C@H](C#N)CNN=C1CCc2ccc(Cl)cc21 762452187 KIDKFLZHPSDCNT-SECBINFHSA-N 247.729 2.740 30 20 BFED C[C@@H]1CC(C)(C)CC1=NNCC(F)F 766020742 PGWFILYWTIGIQQ-SSDOTTSWSA-N 204.264 2.653 30 20 BFED C#CCCN(CC(F)(F)F)C(=O)CCCC 767156662 QBZXFKZYMFOUHG-UHFFFAOYSA-N 235.249 2.591 30 20 BFED N#CC1(COC(=O)c2cc(Cl)c[nH]2)CCC1 768098541 DSJOWVJZMBVVDO-UHFFFAOYSA-N 238.674 2.519 30 20 BFED CC(=NNCC(F)(F)F)c1ccccc1 769822049 NFJBKRYSKNDSCL-UHFFFAOYSA-N 216.206 2.563 30 20 BFED C=CCCC(=O)O[C@H](C)c1ncc(C)o1 770964250 KIPCBXYSZZDHND-SECBINFHSA-N 209.245 2.553 30 20 BFED CCOc1cccc(C(C)=NNC[C@@H](C)C#N)c1 771107969 PSZXJDMYQQUXSM-NSHDSACASA-N 245.326 2.559 30 20 BFED C=CCNC(=S)Nc1cccc(C(=O)CC)c1 771111054 GYEBGQZWDWHGAG-UHFFFAOYSA-N 248.351 2.752 30 20 BFED CCOCCON=C1CCC[C@H](C2CC2)C1 774430285 CPDNQQFXAXVRGW-LBPRGKRZSA-N 225.332 2.996 30 20 BFED CCOCCON=C1CCC[C@@H](CC)C1 774439168 TZDGDLFKQWFZGO-LLVKDONJSA-N 213.321 2.996 30 20 BFED C#C[C@@H](NCc1cccc(C)c1C)[C@@H]1CCCO1 775342652 SAKYFHVFDRSYDX-CVEARBPZSA-N 243.350 2.574 30 20 BFED C#C[C@H](N[C@H](C)C1CCCCC1)[C@@H]1CCCO1 775571438 HEBOVXABMMGFGV-SNPRPXQTSA-N 235.371 2.726 30 20 BFED C=CCS(=O)(=O)[C@H](C)c1cccc(C)c1 779367491 SQGNOMOEJSFMQG-LLVKDONJSA-N 224.325 2.657 30 20 BFED C#CCN(Cc1ccc(OCC)c(F)c1)C1CC1 787274627 KDEHHIUNGVJZLU-UHFFFAOYSA-N 247.313 2.822 30 20 BFED CCCCCC[C@H](C)C(=O)NCCC#N 787620789 FEQDVXFKOBNDCJ-NSHDSACASA-N 210.321 2.623 30 20 BFED CC1(C)CCC(C=NN[C@H]2CCOC2)CC1 788444627 CCAIMXYAQAVQPK-LBPRGKRZSA-N 224.348 2.567 30 20 BFED C=C(C)CN(CC)Cc1cnc(Cl)cn1 788470178 MLZRTDDYZQZJGG-UHFFFAOYSA-N 225.723 2.528 30 20 BFED COCC#CCN1C[C@H](C)C[C@H]1c1ccccc1 796621502 IJLOAMBKOVZYNA-ZBFHGGJFSA-N 243.350 2.719 30 20 BFED CCCCCCCN(C)C[C@@H](C)OC 796639670 DOACQWIOWUIENV-GFCCVEGCSA-N 201.354 2.924 30 20 BFED COc1ccccc1CON=CC[C@H]1CCOC1 799118642 OIDGYWMEBZJZBU-LBPRGKRZSA-N 249.310 2.624 30 20 BFED CC(C)(C#N)CCOC(=O)c1cc(C2CC2)no1 799579603 ATOSMBKFUTYWKO-UHFFFAOYSA-N 248.282 2.649 30 20 BFED N#CCCCOC(=O)c1cc(C#N)ccc1Cl 803831354 OFODUBICOBHTGF-UHFFFAOYSA-N 248.669 2.672 30 20 BFED C=CCCCCCCNC(=O)C(=O)C(C)(C)C 805218334 WUJQUCNMNVCRAM-UHFFFAOYSA-N 239.359 2.854 30 20 BFED CO[C@@H]1CC[C@H](OC(=O)CCCCCC#N)C1 805983974 GWLIIIHHZVMQCG-NEPJUHHUSA-N 239.315 2.571 30 20 BFED CON(CC(C)(C)C)C(=O)CCCCCC#N 807695586 RPZSHWMJZOLLTH-UHFFFAOYSA-N 240.347 2.897 30 20 BFED CC(C)OCCON=C1CCO[C@H](C(C)C)C1 812239307 SZLIPCRIYMIPSS-ZDUSSCGKSA-N 243.347 2.619 30 20 BFED CCCCNC(=O)C#Cc1ccc(CC)cc1 814360777 GYGIFSMTMGLOPS-UHFFFAOYSA-N 229.323 2.517 30 20 BFED Cc1cccc(C=NNCc2ccccc2)c1O 814752058 YEQTUCHCLFLYRM-UHFFFAOYSA-N 240.306 2.824 30 20 BFED Clc1ncccc1C=NO[C@H]1CCCCO1 814887370 MMCWJCNSNALKQD-JTQLQIEISA-N 240.690 2.612 30 20 BFED C#Cc1cccc(CN[C@@H](C)c2cc(C)on2)c1 834902535 IOPYMVVTVXZGRR-LBPRGKRZSA-N 240.306 2.815 30 20 BFED Cc1cccc(C=NOCC(F)F)c1F 834969795 WKRKHPNEIRNWMA-UHFFFAOYSA-N 217.190 2.750 30 20 BFED CC[C@H](C)CC=NNc1ccc(OC)cn1 834973672 YVEVITMFZJNDJA-JTQLQIEISA-N 221.304 2.924 30 20 BFED CC[C@@H]1CCC[C@H]1C(=O)O[C@H](C#N)C1CC1 835194379 KSHCTQDETGAIBH-YUSALJHKSA-N 221.300 2.658 30 20 BFED Cc1ccc(C(=O)OC(C)(C)C#N)c2c1CCC2 835223777 AFFMWWKNABVOIC-UHFFFAOYSA-N 243.306 2.943 30 20 BFED C=C[C@H](OC(=O)/C=C/[C@@H]1CCOC1)C(C)(C)C 835390118 AXAHGAGXVNMTNY-JIVBQCDMSA-N 238.327 2.723 30 20 BFED C=CC(C)(C)CNC(=O)[C@@H]1CC1(Cl)Cl 836829324 XFRKIAFPWGDCAH-ZETCQYMHSA-N 236.142 2.509 30 20 BFED C=CCONC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 837049242 CNQWFDKWKDHXBY-YNEHKIRRSA-N 237.343 2.827 30 20 BFED CCC(C)(C)C(=O)COC(=O)C#CC(C)(C)C 838371738 BQUVOAFTJZDHRX-UHFFFAOYSA-N 238.327 2.584 30 20 BFED C#CCC[C@H](C)OC(=O)c1cc(C#N)cs1 839036807 HITOKJPZMKIACS-VIFPVBQESA-N 233.292 2.578 30 20 BFED C#CCC[C@@H](C)OC(=O)C1=C(C)CCC1 839037730 UCUJGIQXTSYSIZ-LLVKDONJSA-N 206.285 2.832 30 20 BFED C#CCC[C@@H](C)OC(=O)CCCCCC#N 839041117 TVUOJCFJGXOXEH-GFCCVEGCSA-N 221.300 2.806 30 20 BFED CC[C@H]1C[C@@H](C)CCC1=NN(CC)CCO 842536906 FIDDWRWTXGKSOG-RYUDHWBXSA-N 226.364 2.503 30 20 BFED C[C@@H](C#N)OCCSCC1=CCCC1 843302089 BLEQKZDCKSHGJR-JTQLQIEISA-N 211.330 2.759 30 20 BFED C#CC1CCN(Cc2ccc(C)cc2OC)CC1 843426769 JZBUDMNARJJXHD-UHFFFAOYSA-N 243.350 2.849 30 20 BFED C#CC1CCN(Cc2scnc2C2CC2)CC1 843427297 YUCWWRVHPDSJIP-UHFFFAOYSA-N 246.379 2.866 30 20 BFED C#CCCCN(CC(C)C)c1cnn(CC)c1 846984550 RBLYZIBEFMQFFP-UHFFFAOYSA-N 233.359 2.779 30 20 BFED C#CCC(C)(C)C(=O)Nc1cc2cc[nH]c2cn1 847154857 BMXCQMZNPXPZTR-UHFFFAOYSA-N 241.294 2.551 30 20 BFED C[C@@H](CC(C)(C)C#N)OC(=O)c1nccs1 851207454 YBFVLKVVBRVBBI-QMMMGPOBSA-N 238.312 2.628 30 20 BFED C=CC(C)(C)CCOC(=O)[C@H](CCC)OC 851300497 UTTKWHPVAUUEJT-NSHDSACASA-N 228.332 2.947 30 20 BFED C#CC1CCC(=NNc2ncccc2C)CC1 853338027 ADTRWDWJGLDCFC-UHFFFAOYSA-N 227.311 2.981 30 20 BFED CC(=NN1CCCC[C@H]1C)c1ccccc1O 853380851 ZWGNOYPQNSEGFL-LLVKDONJSA-N 232.327 2.991 30 20 BFED CC(=NNc1cc(F)ccc1C)[C@@H]1CCOC1 853393509 JHPAUOJDIFYDFG-LLVKDONJSA-N 236.290 2.958 30 20 BFED C#CCCc1noc(-c2cc(SC)oc2C)n1 854030669 DYDCCAXOHUPYMG-UHFFFAOYSA-N 248.307 2.926 30 20 BFED C=C(C)CONC(=O)c1c(F)cc(C)cc1F 855026862 REIMDKMTWVIHEP-UHFFFAOYSA-N 241.237 2.511 30 20 BFED C=C[C@H](C)ONC(=O)[C@@](C)(F)CCCC 855027265 DINTZZFLELGYNO-ONGXEEELSA-N 217.284 2.527 30 20 BFED C=CCCC(C)(C)NC(=O)[C@H]1CCC=CO1 856374365 YKMYIMFGDUOHJX-LLVKDONJSA-N 223.316 2.540 30 20 BFED CSC(C)(C)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 857627615 RPIRDYGFLQVVHB-NXEZZACHSA-N 241.356 2.754 30 20 BFED C=CCOCSc1nc(C)cs1 865346775 NQYFYHDRNQTKLY-UHFFFAOYSA-N 201.316 2.704 30 20 BFED CCCCCC(C)(C)C(=O)n1ncc(C#N)c1N 869368745 OKNMQTNBYAOGRL-UHFFFAOYSA-N 248.330 2.584 30 20 BFED C#CCOC(=O)[C@H](C)CCc1ccc(F)cc1 869863295 SUFVGWXXKSWXJJ-LLVKDONJSA-N 234.270 2.571 30 20 BFED C=CCCN[C@H](C)c1cc(O)ccc1F 872086939 ZPEYTFIHPTZDKB-SECBINFHSA-N 209.264 2.758 30 20 BFED C=CCCCC(=O)NOc1ccccc1F 874912485 YFGYYMLBNHIFMY-UHFFFAOYSA-N 223.247 2.592 30 20 BFED C=CCCC(C)(C)NCc1ccc(Cl)nn1 877641312 QZTZJUROYIKZOX-UHFFFAOYSA-N 239.750 2.964 30 20 BFED C=CC(C)(C)CC(=O)N1CCC=C(F)C1 879374595 NZNPKWSMPRHHBU-UHFFFAOYSA-N 211.280 2.674 30 20 BFED C=CC(C)(C)CC(=O)N1C[C@@H](CC)OC[C@@H]1C 880537302 SWWYJKYYKJXUDY-NWDGAFQWSA-N 239.359 2.615 30 20 BFED Cc1cc(C#N)nc(NCCC(C)(C)F)c1 894552252 FBWQUTUTNZITNC-UHFFFAOYSA-N 221.279 2.812 30 20 BFED N#CC[C@@H]1CCCN(Cc2ccc(O)c(F)c2)C1 895310617 PQCJRHUXCQFRRN-NSHDSACASA-N 248.301 2.657 30 20 BFED CC1(C)CCC[C@@H]1C(=O)Nc1ncc(C#N)s1 896486474 NUVRMDZOCAGAHA-SECBINFHSA-N 249.339 2.780 30 20 BFED C[C@@H](Cc1ccsc1)N1CCC[C@H](C#N)C1 896506535 UJZRGHKADYWPBZ-WCQYABFASA-N 234.368 2.915 30 20 BFED C#CCC(C)(C)C(=O)N(O)Cc1ccc(F)cc1 900095333 YVLYXURPHGQPOU-UHFFFAOYSA-N 249.285 2.593 30 20 BFED CC[C@@H](NCCC[C@@H](C)O)c1cccc(C#N)c1 902975042 DNVPNHXCTAEGNG-IUODEOHRSA-N 246.354 2.760 30 20 BFED C=C[C@@H](CC)CC(=O)OCc1cnccc1OC 905639749 NONGRPXGPUETKR-NSHDSACASA-N 249.310 2.736 30 20 BFED C#CCOC(=O)/C=C\c1cc(C)c(C)cc1C 915493904 WZEWZJUDOAOOFN-SREVYHEPSA-N 228.291 2.801 30 20 BFED C=CCOC(=O)c1cc(-c2cccc(F)c2)no1 919189521 APZRVHNKBJPFCY-UHFFFAOYSA-N 247.225 2.824 30 20 BFED N#Cc1sccc1C(=O)OCCC1CC1 923562264 GJOVHXOFPXTZPM-UHFFFAOYSA-N 221.281 2.577 30 20 BFED CC[C@H](C)COC(=O)c1ccsc1C#N 923562781 MEURMOZEQSHVBW-QMMMGPOBSA-N 223.297 2.823 30 20 BFED CC(C)CCOC(=O)c1ccsc1C#N 923566952 VKFFVWCEWSIFME-UHFFFAOYSA-N 223.297 2.823 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1ccc(N(C)C)nc1 929653789 GVOAFKXYQQCJOR-NSHDSACASA-N 247.342 2.688 30 20 BFED C#Cc1ccc(NC(=O)NCCC(C)C)cc1 934937810 RGXLSKHEBMICAP-UHFFFAOYSA-N 230.311 2.836 30 20 BFED C[C@H]1CC[C@@H](C)N1c1cccc(CC#N)n1 1116662087 PCCFNXILIDDOMD-PHIMTYICSA-N 215.300 2.525 30 20 BFED CC[C@@H](C#N)C(=O)N1CCCCC[C@@H]1C(C)C 1137856504 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202.257 2.555 30 20 BFED N#Cc1csc(C(=O)Nc2ccsc2)c1 84112243 JXAWMXJYAWYUHU-UHFFFAOYSA-N 234.305 2.934 30 20 BFED N#CCCCN1CCc2c(F)ccc(F)c2C1 84137013 VHXXEJLDKRHJTD-UHFFFAOYSA-N 236.265 2.627 30 20 BFED C=CCCCCCN(C)[C@H]1CCCC[C@@H]1O 89903613 ZUSIOAKXIYOQCI-KBPBESRZSA-N 225.376 2.968 30 20 BFED Cc1cccc([S@@](=O)CCCCC#N)c1 108099861 LTIXPEMQALDFJR-OAHLLOKOSA-N 221.325 2.797 30 20 BFED C#CCOC(=O)[C@@H](CC)CC1CCCC1 114561850 XFUIDCZAMLKKBB-LBPRGKRZSA-N 208.301 2.769 30 20 BFED C[C@H]1CCC[C@@H](CNC(=O)C2(C#N)CCC2)C1 119250289 FWCJDOMNSCIMPY-NWDGAFQWSA-N 234.343 2.623 30 20 BFED C#CCCCCC(=O)N(C)CCC(F)(F)F 119708560 DWTQMOQXHUHGPH-UHFFFAOYSA-N 235.249 2.591 30 20 BFED C=CCC[C@H](NCCCOCC)C1CC1 119778952 NWKBDYWDARQQPI-ZDUSSCGKSA-N 211.349 2.747 30 20 BFED C=CCN(CC=C)Cc1ccc(C#N)cc1OC 120618584 ZCKTXSVKQDYVDT-UHFFFAOYSA-N 242.322 2.741 30 20 BFED C=CCN1CCCN(Cc2ccccc2)C[C@@H]1C 121018131 GIGTVIJGUKGBBZ-HNNXBMFYSA-N 244.382 2.769 30 20 BFED C[C@@H]1CCCN1Cc1ccc(F)c(C#N)c1 121603219 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247.338 2.664 30 20 BFED C#CCCCCNC(=O)N1CCC[C@@H]2CCC[C@@H]21 154919581 AQDFFIMBGPIQGC-KBPBESRZSA-N 248.370 2.764 30 20 BFED Cc1cc(COc2cccc(F)c2C#N)on1 155626204 WJDYGVGEHGEHAP-UHFFFAOYSA-N 232.214 2.573 30 20 BFED C=C(C)CNC(=O)N[C@H](C)CCCCC 156573624 YOSGAKURUXXCSJ-LLVKDONJSA-N 212.337 2.831 30 20 BFED CC#CCCN[C@H](C)CCc1ccc(O)cc1 158339405 BIGPPPQOFXLRTI-CYBMUJFWSA-N 231.339 2.716 30 20 BFED C=C(C)COCCN[C@@H](C)c1csc(C)n1 161878357 FLWXHTAUBFXVET-JTQLQIEISA-N 240.372 2.695 30 20 BFED N#Cc1ccc(F)cc1CN1C[C@@H]2CCC[C@H]2C1 162016320 VWUKVBMTXLKVRZ-STQMWFEESA-N 244.313 2.929 30 20 BFED CC(C)COCCN[C@H](C)c1ccc(C#N)cc1 164495941 AKVXRGQZBRMQME-CYBMUJFWSA-N 246.354 2.881 30 20 BFED Cc1csc([C@H](C#N)C(=O)[C@H](C)C2CC2)n1 176516185 OOBDTBKTDNTTBQ-PSASIEDQSA-N 234.324 2.674 30 20 BFED CCc1nc([C@@H](C)NCCCC#N)cs1 184703653 XIZKHIKFHJFRMD-SECBINFHSA-N 223.345 2.660 30 20 BFED CCCCOCCCN[C@@H]1CCC[C@@H](C#N)C1 185758538 BFOQTWFLXRIRLC-ZIAGYGMSSA-N 238.375 2.865 30 20 BFED C[C@H](CO)CS[C@H](C)c1cccc(C#N)c1 189850625 XCDLPAFOOKQRLR-GHMZBOCLSA-N 235.352 2.981 30 20 BFED CC(C)CCN(CCC#N)C[C@H]1CC[C@@H](C)O1 190629003 INCCBFZWXRAWNX-ZIAGYGMSSA-N 238.375 2.816 30 20 BFED C[C@H]1CC[C@H](CSc2cc(C#N)ccn2)O1 191087706 AAWARODIRXRHGW-GXSJLCMTSA-N 234.324 2.613 30 20 BFED C#CCN(C)C(=O)CCC(C)(C)c1ccccc1 191100788 QDJBWMBBPNMRKX-UHFFFAOYSA-N 243.350 2.836 30 20 BFED C#CCCCC(=O)N[C@H]1CCC[C@@H](SC)C1 192127948 OUCDFRGTTCWQMM-NWDGAFQWSA-N 239.384 2.580 30 20 BFED C#CCCCC(=O)N(C1CCCC1)C1CC1 192129645 KNMPWEZOMUOSFH-UHFFFAOYSA-N 219.328 2.724 30 20 BFED C#CCCCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 192322746 OYLRWZWSKUOAJA-RDBSUJKOSA-N 233.355 2.970 30 20 BFED C#CCCCNC(=O)c1cc(C)cc(Cl)c1 217842792 LFIYSLNTJRRATR-UHFFFAOYSA-N 235.714 2.792 30 20 BFED C[C@@H]1CCC[C@@H](NC(=O)C2(C#N)CCC2)CC1 226323152 WTIKKDFJUVBLCR-VXGBXAGGSA-N 234.343 2.765 30 20 BFED CC1(Nc2nccc(C#N)c2Cl)CCC1 232828772 RAOMOHVXQPQAET-UHFFFAOYSA-N 221.691 2.961 30 20 BFED C=CCC[C@H](O)CN(C)[C@H](C)CCSCC 247616444 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C=CCCN(C)C(=O)/C=C/c1ccc(C)o1 276486973 ZTTTWHDUPFZCJD-CMDGGOBGSA-N 219.284 2.636 30 20 BFED CC#CC(=O)NC(C)(C)c1ccc(Cl)cc1 277367835 GGSNYGDRQAFHPM-UHFFFAOYSA-N 235.714 2.715 30 20 BFED C#C[C@H](NC(=O)N(C)[C@H](C)c1ccco1)C(C)C 281142509 VHCLWMZLBPCSDL-NEPJUHHUSA-N 248.326 2.640 30 20 BFED CC#CCCCC(=O)N1CCc2cc(F)ccc21 283659123 QRPDDDTXKHSNDX-UHFFFAOYSA-N 245.297 2.908 30 20 BFED C=CCNC(=O)N1Cc2cccc(Cl)c2C1 286456608 PHWKBKSSJRRWFU-UHFFFAOYSA-N 236.702 2.551 30 20 BFED COC(C)(C)C[C@@H](C)Nc1cc(C#N)ccn1 287317317 NPAJDIXBBSCKFV-SNVBAGLBSA-N 233.315 2.569 30 20 BFED C=C[C@@](C)(CC)c1nc(-c2cocn2)no1 289189169 XCAUNHRRNVCODT-NSHDSACASA-N 219.244 2.578 30 20 BFED C#C[C@@H](NCc1ccc(C)s1)C(C)C 289612194 VVGOECCVFFWQQK-GFCCVEGCSA-N 207.342 2.804 30 20 BFED C=C(C)Cn1c(C)nnc1N1CCCC[C@@H]1CC 291095065 SSOFXPQDHFJTGH-ZDUSSCGKSA-N 248.374 2.932 30 20 BFED N#C[C@@]1(C(=O)Nc2nccs2)CC12CCCC2 294505433 SGDRTUQLHDFKQA-GFCCVEGCSA-N 247.323 2.556 30 20 BFED C=CCCc1noc(-c2cnc(C)s2)n1 297241596 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229.270 2.600 30 20 BFED C=CC1(OC(=O)CCCn2nc(C)cc2C)CC1 1349582542 XNNRNSXOUMGUJD-UHFFFAOYSA-N 248.326 2.542 30 20 BFED C=CCCCCCCNC(=O)[C@@H]1C[C@@H]1F 1518201060 ZFIUONYWGAFWHY-MNOVXSKESA-N 213.296 2.597 30 20 BFED C=C(CC(C)C)C(=O)N1CCc2nc(F)ccc21 1520345755 CBFZWULPVIYYMX-UHFFFAOYSA-N 248.301 2.712 30 20 BFED CC[C@@H]1CCN(C(=O)C2(C#N)CCCC2)[C@@H]1C 1529572795 BQEOYWIICUBEBK-VXGBXAGGSA-N 234.343 2.717 30 20 BFED C=C(C)CN1CCc2c(C)cccc2[C@@H]1C(=O)O 1776139969 RJORKGAAGOLNBI-CQSZACIVSA-N 245.322 2.555 30 20 BFED C=C1CC(CN(C)[C@H](C(=O)O)c2ccccc2)C1 1776144273 MSVDSVNDRMUUBC-AWEZNQCLSA-N 245.322 2.710 30 20 BFED C#CCN[C@H](C)c1cccc(C(F)(F)F)c1 19875511 JYKAOPORNAKGBF-SECBINFHSA-N 227.229 2.989 30 20 BFED C[C@H]1CCCCN1CCOc1ccccc1C#N 34673871 OLQFGJKPFAFLIZ-ZDUSSCGKSA-N 244.338 2.811 30 20 BFED C[C@H](NCc1cccnc1)c1cccc(C#N)c1 37232250 AWTZUKPAZQKXRW-LBPRGKRZSA-N 237.306 2.804 30 20 BFED C=CCNC(=O)NC[C@H]1CCCc2ccccc21 47605701 MNAPYZSCPMAMRR-CYBMUJFWSA-N 244.338 2.592 30 20 BFED CC[C@@H](C#N)C(=O)NCc1cccc(Cl)c1 53157960 ASZMFGACOWWHMA-JTQLQIEISA-N 236.702 2.506 30 20 BFED C=CCSc1nnnn1-c1ccc(C)cc1C 58138571 LONKNVCJSSKACV-UHFFFAOYSA-N 246.339 2.557 30 20 BFED N#CCCCOC(=O)c1cccc(Cl)c1 58817441 LRYICPNNEMVJBS-UHFFFAOYSA-N 223.659 2.801 30 20 BFED CCCCCCCC(=O)N(C)C1CCNCC1 59366279 JVSFODXKRKUTDV-UHFFFAOYSA-N 240.391 2.557 30 20 BFED C#CCOC(=O)c1cc(Cl)sc1Cl 60715360 DZDHQODLWPNZIC-UHFFFAOYSA-N 235.091 2.845 30 20 BFED CC1(C)CCN(C(=O)c2ccc(C#N)cc2)CC1 61803397 BMBHYSGEFMEVGC-UHFFFAOYSA-N 242.322 2.820 30 20 BFED Cc1cc(C)c(C(=O)N(C)[C@@H](C)CC#N)c(C)c1 63093992 RFLATJIGFWWCEB-ZDUSSCGKSA-N 244.338 2.986 30 20 BFED C=C(C)COc1ccc([N+](=O)[O-])c(F)c1 67015546 MDECFBDQIKWSDC-UHFFFAOYSA-N 211.192 2.689 30 20 BFED C#CCOC(=O)c1occc1-c1ccccc1 73193151 IZAPLOUTOKOMTG-UHFFFAOYSA-N 226.231 2.737 30 20 BFED C[C@H]1CCC[C@@H](C)N(c2ncccc2C#N)C1 78342353 VQVSVEFEAJGYBT-NWDGAFQWSA-N 229.327 2.968 30 20 BFED CC(C)C[C@H](CO)Nc1cccc(F)c1C#N 78571804 OSEBXRZUJKMITR-SNVBAGLBSA-N 236.290 2.516 30 20 BFED CN(Cc1ccsc1)CC1(CC#N)CC1 88259281 ORGZDVBODXXWGC-UHFFFAOYSA-N 220.341 2.874 30 20 BFED Cc1csc([C@H](C#N)C(=O)C=C2CCC2)n1 88800552 BQNQAPRFIBNDMS-SNVBAGLBSA-N 232.308 2.738 30 20 BFED C=C(C)COCCN[C@H](C)c1cccc(OC)c1 90451022 ARHZXPJIDAHGJO-CYBMUJFWSA-N 249.354 2.939 30 20 BFED Cc1noc(C)c1CNc1ccc(F)cc1C#N 90794578 LTHAJYZFGLNGDO-UHFFFAOYSA-N 245.257 2.914 30 20 BFED Cc1ccc2c(c1)C(=O)/C(=C\c1cnn(C)c1)C2 96404851 BJRYKOZXYPPCSV-MLPAPPSSSA-N 238.290 2.551 30 20 BFED COC[C@H](C)CNc1c(F)cc(C#N)cc1F 111144015 XFAWAYYBVRXQRY-MRVPVSSYSA-N 240.253 2.531 30 20 BFED C=CC1CCN(CCCCCn2cccn2)CC1 111256834 DGOAXWHEZUMSPG-UHFFFAOYSA-N 247.386 2.951 30 20 BFED C=CCCOC(=O)[C@H](CC)OC1CCCC1 113655247 LXUVJOIIXUVCPZ-LBPRGKRZSA-N 226.316 2.844 30 20 BFED C=CC[C@@H](C)NCc1ccc2c(c1)OCCO2 116927060 IBEMBKFXMAFFSL-LLVKDONJSA-N 233.311 2.512 30 20 BFED C=CC[C@H](C)NCc1cnn(C(C)(C)C)c1 116927185 OOBOUQPAXOCZNG-NSHDSACASA-N 221.348 2.692 30 20 BFED C=CCNc1nc(C)nc2scc(C)c12 120376177 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224.267 2.521 30 20 BFED C#CCCOc1ccc(C(C)=O)c(Cl)c1 232565295 KIQARZOBPYYFAR-UHFFFAOYSA-N 222.671 2.945 30 20 BFED C#C[C@@H](CCC)NC(=O)c1cccc(Cl)c1 233292746 MBKMEWCKICGHRV-LBPRGKRZSA-N 235.714 2.872 30 20 BFED C#C[C@H](CCC)NC(=O)Nc1ccc(OC)cc1 233356598 CSSCUTBXFMEXCN-LLVKDONJSA-N 246.310 2.619 30 20 BFED C=CCN(CCC(=O)O)CC1CCCCC1 238082362 XGAUDZIQEZUUTK-UHFFFAOYSA-N 225.332 2.529 30 20 BFED CC[C@@H](C#N)NC(=O)/C=C(/C)c1ccccc1 255198887 MTJGXUMNSVUNBD-FUWURINLSA-N 228.295 2.508 30 20 BFED C=C(Cl)CNC(=O)[C@@H](C)c1cccs1 265696697 OYOFZLBIOSPCNP-QMMMGPOBSA-N 229.732 2.720 30 20 BFED CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 267081701 KQVWLKYSAMYKPS-RYUDHWBXSA-N 245.326 2.585 30 20 BFED C=CCCC(=O)Nc1c(C)cccc1O 271328839 LJPAWFRIZKMSGE-UHFFFAOYSA-N 205.257 2.605 30 20 BFED C#CCCCN(Cc1ccccc1)[C@H](C)CCO 271347556 CSZYVJAOQOONAA-OAHLLOKOSA-N 245.366 2.673 30 20 BFED CCc1ccc(/C=C/C(=O)N[C@H](C#N)C(C)C)o1 274101528 WLPUHQJQRBRISC-SBDDDAINSA-N 246.310 2.520 30 20 BFED C=CCCN1CCSC[C@@H]1c1nccs1 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244.338 2.674 30 20 BFED CC[C@H](C#N)C(=O)N(CC1CC1)c1ccccc1 593510894 FEOIDWUSSNUVTD-CYBMUJFWSA-N 242.322 2.979 30 20 BFED CCC[C@@H](C)NCCc1ccc(C#N)cc1 595057843 XVBNAHJBTPYGBM-GFCCVEGCSA-N 216.328 2.879 30 20 BFED CCc1nc(CN2CCC[C@H](CC#N)C2)cs1 595609698 OBTXULGJDYIMQX-LLVKDONJSA-N 249.383 2.831 30 20 BFED Cc1ccc(C#N)nc1N1CC(C)(C)C[C@H]1C 596271368 OTZRXQRETABVDU-LLVKDONJSA-N 229.327 2.887 30 20 BFED CCSC1(CNc2nc(C)ccc2C#N)CC1 596511324 OHZDAVLVJCCYRQ-UHFFFAOYSA-N 247.367 2.959 30 20 BFED N#CCc1ccccc1C(=O)NCCCC1CC1 601201816 UWSOIJYKIMJKED-UHFFFAOYSA-N 242.322 2.673 30 20 BFED C[C@@H](CCC#N)CN1CCSC(C)(C)C1 602474081 QAHBFDRPPWBWQS-NSHDSACASA-N 226.389 2.754 30 20 BFED C[C@@H](CCC#N)CNCc1noc2c1CCCC2 602665195 TWPGYOZHEPYFPK-NSHDSACASA-N 247.342 2.583 30 20 BFED CC1(F)CCN(CCc2ccc(C#N)cc2)CC1 602992980 MEZMLFHBULQZEH-UHFFFAOYSA-N 246.329 2.925 30 20 BFED CSCCCCC(=O)N[C@@H](C#N)CC(C)C 610063551 GQASRYGMOYGWNS-LLVKDONJSA-N 242.388 2.574 30 20 BFED C[C@H](C[C@@H]1CCOC1)Nc1ccc(C#N)cc1 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BFED C=C(C)CN(C)C(=O)Nc1cnn(C(C)C)c1 679231217 CKJMLMWANOYEDN-UHFFFAOYSA-N 236.319 2.504 30 20 BFED CCCCCCCNC(=O)[C@@H](C#N)CC 703721667 BFDKRECDPVYESU-LLVKDONJSA-N 210.321 2.623 30 20 BFED C#CCOC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 727039966 TWXXJNNTSZRLGP-VXGBXAGGSA-N 234.682 2.620 30 20 BFED C=C(C)CNC(=S)NCC1(C)CCCC1 731159959 NTGOPEKNWCPIDZ-UHFFFAOYSA-N 226.389 2.607 30 20 BFED CCC(CC)NN=Cc1csc([N+](=O)[O-])c1 734365121 RRCDGMJYLICTNL-UHFFFAOYSA-N 241.316 2.768 30 20 BFED C=CCCCNc1ccc(F)c(C(=O)OC)c1 740873383 UWIOAKODHCIBOK-UHFFFAOYSA-N 237.274 2.990 30 20 BFED CCO[C@H]1CC(=NNc2ccccn2)C12CCC2 741161399 SUWVHHLRTLWXDG-LBPRGKRZSA-N 245.326 2.829 30 20 BFED CC#CCOc1c(F)cc(F)cc1C(C)=O 742452272 WAZGIQWFYUWJJZ-UHFFFAOYSA-N 224.206 2.570 30 20 BFED N#Cc1ccc(COC(=O)CC2CCC2)c(F)c1 745570416 USTWZLVJCRPYDY-UHFFFAOYSA-N 247.269 2.931 30 20 BFED C=CCCC(CC)=NNc1nc(C)cc(OC)n1 747635524 XNDZNSLONPOJJT-UHFFFAOYSA-N 248.330 2.938 30 20 BFED CCc1ccc(C(C)=NOCCOC)cc1 748789924 RORUNMACAHRUJR-UHFFFAOYSA-N 221.300 2.636 30 20 BFED CC[C@@H](NCCCC#N)c1ccc2c(c1)CCO2 753731072 AQBJYMIOSFSWGS-CQSZACIVSA-N 244.338 2.966 30 20 BFED C#CC(C)(C)NC(=O)Nc1cc(C)ccc1C 753942394 ANHYAMIQJZRLQR-UHFFFAOYSA-N 230.311 2.837 30 20 BFED C=C(Cl)COC(=O)Cc1ccc(F)c(F)c1 756627043 CZOYZGMOAOTVQC-UHFFFAOYSA-N 246.640 2.803 30 20 BFED C#CCNC(=S)N(C)c1cccc(C(C)C)c1 758218870 YDEZSERIEFSQSM-UHFFFAOYSA-N 246.379 2.754 30 20 BFED C#Cc1ccc(C(=O)OCCCC(C)C)nc1 758449384 ZOZBQIBJQWNGDV-UHFFFAOYSA-N 231.295 2.656 30 20 BFED CC#CCCOC(=O)c1ccc(C)c(C)c1 760290310 RYNITFSQLAMNAJ-UHFFFAOYSA-N 216.280 2.874 30 20 BFED Cc1ccc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)nn1 762424885 JYWMRICNLCHZTD-SDDRHHMPSA-N 230.315 2.619 30 20 BFED CO[C@H](C)C(C)=NOCc1ccccc1 763163428 ISVGVYXWYHSMJZ-LLVKDONJSA-N 207.273 2.614 30 20 BFED C[C@@H]1CC(=NC(=O)CC2CCCCCC2)NO1 765377538 UJSNJVIWBJMXND-SNVBAGLBSA-N 238.331 2.585 30 20 BFED C=CCC[C@H](CC)NCCCNc1ncccn1 766517149 LOIMAVPEAMRAAS-ZDUSSCGKSA-N 248.374 2.613 30 20 BFED C#CCNc1cc(C)n(-c2cc(C)cc(C)c2)n1 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2.631 30 20 BFED CSCC[C@H](C)N(C)c1cccc(CC#N)n1 1321328270 AFNVUFOHBMQROC-NSHDSACASA-N 249.383 2.725 30 20 BFED C[C@@H]1CN(c2cccc(CC#N)n2)CC[C@H]1C 1321329721 ZCHPFZWYFWIBCV-VXGBXAGGSA-N 229.327 2.630 30 20 BFED CC(=NNc1ccn(C)n1)c1cccc(Cl)c1 1326243147 ZORZGNXCNMDETP-UHFFFAOYSA-N 248.717 2.910 30 20 BFED N#Cc1cc(C(=O)N2CCC3(CCC3)C2)cs1 1326814751 PSOLUQGVOMGQBY-UHFFFAOYSA-N 246.335 2.636 30 20 BFED C#CCCCCCc1nnc(-c2cccn2C)o1 1330039375 PUORYBFKKXPNGA-UHFFFAOYSA-N 243.310 2.811 30 20 BFED C=C[C@H](CCC(=O)O)NC/C=C\c1ccccc1 1332013862 QZRTXVCZJSXSIN-DEBLGDTFSA-N 245.322 2.709 30 20 BFED C=C1CC(c2noc([C@@]34CCC[C@@H]3C4)n2)C1 1334341247 KWGIVCWCNPYPHA-ZWNOBZJWSA-N 216.284 2.945 30 20 BFED C=CCN(c1nnc(CCC)n1CC=C)C1CC1 1338792503 YBVHIMQKSTVSPV-UHFFFAOYSA-N 246.358 2.571 30 20 BFED C=CCN(C(=O)c1[nH]c(C)cc1C)C(C)C 1340379562 UDLGAJJFSWJOCH-UHFFFAOYSA-N 220.316 2.668 30 20 BFED C[C@H](CC#N)OC(=O)c1nsc2ccccc12 1342506771 RZVYKOAXTYFHNH-MRVPVSSYSA-N 246.291 2.755 30 20 BFED 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237.347 2.777 30 20 BFED CCCCCCCC(=O)NC[C@@](C)(O)CC 114500980 MZSNEQGWIMJNGM-ZDUSSCGKSA-N 229.364 2.624 30 20 BFED Cc1cccc(C(=O)/C=C/c2ccnn2C)c1C 114992126 CFPCUGWZMGQXGE-BQYQJAHWSA-N 240.306 2.933 30 20 BFED C=CCCC(=O)N[C@H]1CCC[C@H](SC)C1 117213398 BHKLGDWUBKYCFW-QWRGUYRKSA-N 227.373 2.743 30 20 BFED C=CCCCSCCC(=O)NCCCC 117944408 SPBZTKKOTGBJAD-UHFFFAOYSA-N 229.389 2.992 30 20 BFED CCCCCCCS(=O)(=O)Cc1ccon1 119322797 ZQBHTQGBCSKXKB-UHFFFAOYSA-N 245.344 2.560 30 20 BFED CC#CCSc1nc(C)cc(C)c1C#N 123683525 JNDRPDAGQWOLPF-UHFFFAOYSA-N 216.309 2.686 30 20 BFED C[C@H]1CCC[C@@H]1Nc1ccc(C#N)nc1 131904939 DABHMJIMKSBBMC-CABZTGNLSA-N 201.273 2.554 30 20 BFED C[C@H]1CC[C@@H](NC(=O)C2(C#N)CCCCC2)C1 132703116 YLNWTDWXVORZRC-NWDGAFQWSA-N 234.343 2.765 30 20 BFED N#Cc1ccc(CNCc2ccoc2)c(F)c1 134424370 HQEHCTXFADOWLM-UHFFFAOYSA-N 230.242 2.580 30 20 BFED C=CCCC(=O)Cn1ccc(=O)c2sccc21 134812480 ZFZQZYKJEBNQOE-UHFFFAOYSA-N 247.319 2.598 30 20 BFED C=C[C@@](C)(CC)C(=O)NCc1cccc(OC)c1 134860981 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C=CCCN(C)C(=O)N[C@@H](C)c1ccccc1 276009945 APWMZMFGFDCXSR-LBPRGKRZSA-N 232.327 2.965 30 20 BFED C=C(C)[C@@H]1OCC[C@H]1CNCc1occc1C 280548156 DOPVSFRPLHDJCK-JSGCOSHPSA-N 235.327 2.659 30 20 BFED CCN(CC)C(=O)c1cc(C#N)ccc1Cl 286250479 SGDSFACBOLCJGO-UHFFFAOYSA-N 236.702 2.694 30 20 BFED C=CCC[C@H](NCC(F)(F)CO)c1ccco1 286366044 ZXPVYVVFCNMIPD-JTQLQIEISA-N 245.269 2.504 30 20 BFED CC[C@H](CC#N)Nc1c(F)cccc1[N+](=O)[O-] 286788024 JMAJJEUEHXRLFB-MRVPVSSYSA-N 237.234 2.838 30 20 BFED C=CCCCC(=O)Nc1cccc2nonc12 288640063 ALLPYIZJOGDCLA-UHFFFAOYSA-N 231.255 2.518 30 20 BFED C=C(Cl)CNC(=O)CCCC(=O)C(C)(C)C 295962755 VHEOWGPKWPLZIC-UHFFFAOYSA-N 245.750 2.641 30 20 BFED C=CCCc1noc(-c2cc(C#N)oc2C)n1 297453172 XCWXZVSFAIQDCO-UHFFFAOYSA-N 229.239 2.628 30 20 BFED N#CCCCCNc1ncnc2ccc(F)cc12 301157662 APXNHZYUJYICPE-UHFFFAOYSA-N 244.273 2.875 30 20 BFED CC(C)C[C@H]1CCN(C(=O)C2(C#N)CC(C)C2)C1 307774288 LOVPBBCJFMHFIU-JVWICGRDSA-N 248.370 2.821 30 20 BFED Cc1cc(C#N)cc(N[C@@H]2C[C@H](C)O[C@@H]2C)c1 308158855 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30 20 BFED C[C@@H]1CC[C@H](CN2CCC(CCC#N)CC2)O1 399783336 WFIPCVNRILIQPT-TZMCWYRMSA-N 236.359 2.570 30 20 BFED CCC[C@@H](C#N)N(C)C(=O)[C@H]1CCC(F)(F)C1 410832831 DZXJZUCKPPFYGN-UWVGGRQHSA-N 244.285 2.572 30 20 BFED COCCCCN(C)[C@@H](C)c1cccc(C#N)c1 419385646 LGLJDMGMMZGYRG-ZDUSSCGKSA-N 246.354 2.978 30 20 BFED CCC[C@H](C)C(=O)NCc1ccc(C#N)s1 421604241 YJQVTIVVUULOGS-VIFPVBQESA-N 236.340 2.672 30 20 BFED CC(C)OCCN(C)[C@@H](C)c1cccc(C#N)c1 442678660 OCKFZDNUUIUXPD-ZDUSSCGKSA-N 246.354 2.976 30 20 BFED C[C@H](C#N)CN(C)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 448774005 ZEDMZBXWLOTXIX-FDYHWXHSSA-N 236.359 2.677 30 20 BFED CCC[C@H]1CCC[C@H]1C(=O)N(CC)CC#N 448792358 PRPJZBJCQBOMAM-NWDGAFQWSA-N 222.332 2.575 30 20 BFED C=CC(C)(C)C(=O)NCCC1CC(OCC)C1 451118062 WQJBVJZVROUAFS-UHFFFAOYSA-N 239.359 2.520 30 20 BFED C=C[C@@H]1OCC[C@H]1NCCCC(C)(C)C 451606756 IVYYSFAWMVMVES-NEPJUHHUSA-N 211.349 2.746 30 20 BFED C=CC(C)(C)CNC(=O)N1CC[C@H](C)[C@@H](C)C1 455362664 GSDWHIUBZQNDTI-RYUDHWBXSA-N 238.375 2.886 30 20 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CCN(CCC#N)Cc1cccn1C1CC1 1344060489 CLPCAHWOUPQTEQ-UHFFFAOYSA-N 217.316 2.559 30 20 BFED C#C[C@H](C)OC(=O)CCc1ccc(SC)cc1 1344086887 KJMWVQKXALKGPS-NSHDSACASA-N 248.347 2.906 30 20 BFED C=C(CC)C(=O)N[C@@H](C)Cc1ccccc1F 1347384467 OODVVWFAOFDWPF-NSHDSACASA-N 235.302 2.839 30 20 BFED C=CCC[C@H]1CCCN1C(=O)c1ccccc1O 1353905242 OQMUJTMEMABORF-LBPRGKRZSA-N 245.322 2.963 30 20 BFED C=CC[C@H](N[C@@H]1CCc2c(C)cccc21)C(=O)O 1588744650 AVOXAMVOPZEINA-KGLIPLIRSA-N 245.322 2.601 30 20 BFED C[C@H](S[C@H](C#N)CCc1ccccc1)C(=O)O 1589169050 UEMMRWGFJHUCFU-JQWIXIFHSA-N 249.335 2.718 30 20 BFED O=C(O)c1c(F)cccc1NN=Cc1ccco1 1602230077 DIBUBTJEUCTJQZ-UHFFFAOYSA-N 248.213 2.563 30 20 BFED C=CCCCCCN1CCC[C@@H]1[C@@H](C)C(=O)O 1776174399 JODIHXVIZOTCPF-CHWSQXEVSA-N 239.359 2.918 30 20 BFED C=CCN(CCC)[C@H]1CC[C@H](CC(=O)O)C1 1776179792 IHVBPBWHDIFFTJ-RYUDHWBXSA-N 225.332 2.528 30 20 BFED CC[C@H](CC#N)NCCCN(C)c1ccccc1 36987197 OKSYSDMEMONKSA-CQSZACIVSA-N 245.370 2.795 30 20 BFED CCC(CC)NC(=O)c1ccc(/C=N/OC)cc1 41295441 FQNNTVZVRFXCNU-XNTDXEJSSA-N 248.326 2.585 30 20 BFED C[C@H]1C[C@H]1c1ccc(CN(CC#N)C2CC2)o1 42145836 ZXRNJSPXELLRIO-GXFFZTMASA-N 230.311 2.891 30 20 BFED C=CCN(Cc1ccccc1F)C[C@@H]1CCOC1 56512311 KVXKKURDFVFOFH-ZDUSSCGKSA-N 249.329 2.850 30 20 BFED C=CCN(CC=C)Cc1csc(C)n1 72938889 HBRHBXJMXJPYQF-UHFFFAOYSA-N 208.330 2.626 30 20 BFED C[C@@H](Nc1cccc(C#N)n1)c1cccnc1 81595450 WICYCHZLCPHNAU-SNVBAGLBSA-N 224.267 2.521 30 20 BFED N#CCC(=O)NCc1cc(Cl)cc(Cl)c1 83371103 QUPLTFKBSVBXMU-UHFFFAOYSA-N 243.093 2.523 30 20 BFED CCN(Cc1cc(C)ccc1O)C[C@H](C)C#N 91983836 DZBXLYKGKIQFGZ-GFCCVEGCSA-N 232.327 2.682 30 20 BFED CCCN(CC#N)Cc1ccc(F)c(C)c1 92398255 TYOUPZCRJULNEG-UHFFFAOYSA-N 220.291 2.870 30 20 BFED N#Cc1cccc(CNC[C@@H]2C[C@H]3C=C[C@H]2C3)c1 103128389 HNFXXSHBPOTKBH-RCBQFDQVSA-N 238.334 2.860 30 20 BFED CCCC(=O)N(CCC#N)CC(C)(C)C 104626194 RAXZEQXCOXLDII-UHFFFAOYSA-N 210.321 2.575 30 20 BFED C[C@@H]1CCC[C@@H]1/N=C/c1cc([N+](=O)[O-])ccc1O 105356710 MCQZPULNRQWKDQ-NJPHMQBDSA-N 248.282 2.908 30 20 BFED C=CC[C@H](C)NC(=O)c1ccnc2ccccc12 116854475 YMLJGMBHCWISMQ-NSHDSACASA-N 240.306 2.929 30 20 BFED C=CCC[C@H](CC)N[C@H]1CC[C@@H](CO)CC1 120229573 MXGNVJQQQITTCS-IHRRRGAJSA-N 225.376 2.872 30 20 BFED C[C@@H](NC(=O)[C@H]1CC1(C)C)c1ccc(C#N)cc1 120884887 DVMSGOQGBONDMQ-ZWNOBZJWSA-N 242.322 2.782 30 20 BFED C=C(C)CNC(=O)[C@H]1CSc2ccccc21 122951922 QFHCLGOVFDCIHH-NSHDSACASA-N 233.336 2.568 30 20 BFED N#Cc1cc(NC(=O)C2[C@H]3CCC[C@H]23)ccc1F 123409265 CYDBNOZTSHNGMG-QWRGUYRKSA-N 244.269 2.682 30 20 BFED C#C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(F)F 123761329 ULKGCZJXOJIFNI-ZETCQYMHSA-N 240.209 2.966 30 20 BFED C#CCN1CC[C@H](c2ccccc2)[C@@H](C)C1 129842650 NOHCJODVBFITDI-ZFWWWQNUSA-N 213.324 2.745 30 20 BFED C=CCN[C@H]1C[C@@H](OCCCC)C1(C)C 130708405 GLRCNYWYCDRFAM-NWDGAFQWSA-N 211.349 2.746 30 20 BFED C=CCCN[C@H](C)c1cc(OC)ccc1OC 134911413 XJMHQDFGEVYSQY-LLVKDONJSA-N 235.327 2.931 30 20 BFED C[C@@H]1C[C@@H](C)N(CCOc2ccc(C#N)cc2)C1 134969512 VSEDYPVFTFQISZ-CHWSQXEVSA-N 244.338 2.667 30 20 BFED C=C[C@@](C)(CC)C(=O)Nc1cccnc1C 135157313 WOAAEFJGNLTMPS-ZDUSSCGKSA-N 218.300 2.931 30 20 BFED CC1(NCc2cc(C#N)cs2)CCC1 135514747 AWBIBQAHOXCRSW-UHFFFAOYSA-N 206.314 2.652 30 20 BFED CC[C@@H](C#N)NC(=O)CC1CCCCCC1 135808244 CIKTVSOUNMIWKU-LBPRGKRZSA-N 222.332 2.765 30 20 BFED C=C(C)CN(CC)[C@@H](C)c1nnc(CC)o1 152517322 KMBMTEOASWPUTR-JTQLQIEISA-N 223.320 2.591 30 20 BFED CC#CCNC(=O)Nc1ccc(F)c(Cl)c1 152990356 YAEVDEPUBWFIJH-UHFFFAOYSA-N 240.665 2.624 30 20 BFED C=C(C)CNC(=O)N(C)[C@H](CC)c1ccncc1 156249061 LBQXOENKFPBMPX-CYBMUJFWSA-N 247.342 2.750 30 20 BFED C[C@H](CNCCCC#N)c1ccccc1 156869115 CKRSMGNKBVWQDD-GFCCVEGCSA-N 202.301 2.683 30 20 BFED C=C(C)CNC(=O)[C@H](C)Sc1ccccc1 161251697 YLKPDGPPNZHDFR-NSHDSACASA-N 235.352 2.860 30 20 BFED C[C@H](O)C[C@@H](C)Nc1ccc(C#N)c(Cl)c1 164888770 TYQSXAPOJUJTAW-BDAKNGLRSA-N 238.718 2.783 30 20 BFED C=C(Br)CN(C)C[C@@H](C)CC 171884327 UJCDNMZWEFIXPA-QMMMGPOBSA-N 220.154 2.873 30 20 BFED C=CCCCC(=O)N(C)CCC1CCOCC1 176725020 WNDOWGGTITUMOM-UHFFFAOYSA-N 239.359 2.618 30 20 BFED C=CCCC[C@H](C)NC(=O)[C@@H](C)OCCC=C 182593458 JGYCOIVYWDVSHN-QWHCGFSZSA-N 239.359 2.829 30 20 BFED Cc1cc(C)c(C#N)c(N2CCCC3(CC3)C2)n1 184831625 TYLVHCNNQRZYGI-UHFFFAOYSA-N 241.338 2.951 30 20 BFED C=C[C@](C)(CC)C(=O)OCc1cc(C)nc(C)n1 188068977 PNTSHDKIYBXEBT-CQSZACIVSA-N 248.326 2.739 30 20 BFED C=CCC1(C(=O)NCCOCCCC)CCC1 190421178 MTAMPKZWNWNWQH-UHFFFAOYSA-N 239.359 2.666 30 20 BFED C=CC[C@@H](C)NC(=O)C1(CC=C)CCC1 191880706 PWBBIWVTTLKOMF-LLVKDONJSA-N 207.317 2.814 30 20 BFED C=C[C@@](C)(CC)C(=O)NCC(F)(F)C(F)F 192021121 CEPMUJRFDNKFRC-VIFPVBQESA-N 241.228 2.605 30 20 BFED C=CCCCCCOc1ccccc1CC(N)=O 195393429 UHWNSMHMTGHTNN-UHFFFAOYSA-N 247.338 2.840 30 20 BFED C#C[C@H](CC)N[C@H](C)Cc1ccccc1F 229879343 BBJAWGNLRXPFJH-DGCLKSJQSA-N 219.303 2.758 30 20 BFED C=CCCOCCNCc1ccc(OC)c(C)c1 229879638 OFTNVXBNOPJBQT-UHFFFAOYSA-N 249.354 2.686 30 20 BFED CCCC1(CNc2cccc(C#N)n2)CC1 230149897 BAPSVUAFLADFBG-UHFFFAOYSA-N 215.300 2.945 30 20 BFED Cc1cc(C#N)nc(N2CCC(C(C)C)CC2)n1 231906931 FSKISTDIPAAAKA-UHFFFAOYSA-N 244.342 2.529 30 20 BFED C=CCCCCCN[C@@H](C)Cn1cccn1 235127357 JJBGQPMKPYVBIW-ZDUSSCGKSA-N 221.348 2.608 30 20 BFED C(=NOCc1cccnc1)c1cccs1 254942616 QLCJWZUYTDJFRU-UHFFFAOYSA-N 218.281 2.694 30 20 BFED O=C(/C=C\c1cccc(O)c1)c1cncc(F)c1 255398079 MWTPZWMLPKZCES-PLNGDYQASA-N 243.237 2.822 30 20 BFED CC[C@@H](C#N)C(=O)NCC(C)(C)CC(C)C 258872580 WSVRUFRFEHISMO-NSHDSACASA-N 224.348 2.725 30 20 BFED COc1ccc(CNCC2(C#N)CCC2)cc1F 258965207 SDCFQKQILZKTRC-UHFFFAOYSA-N 248.301 2.618 30 20 BFED N#Cc1ccc(N2CCC[C@H]2C2CCC2)nc1 264020497 OOSJTUGWJMIDGR-ZDUSSCGKSA-N 227.311 2.722 30 20 BFED C=CCCS[C@@H](C)C(=O)N(CC)CC 265820266 XVOFEQKFNJLFTL-JTQLQIEISA-N 215.362 2.553 30 20 BFED C=CCNC(=O)[C@H](C)c1cccc(Cl)c1 266063153 VQEKCRUSDZYCGW-SECBINFHSA-N 223.703 2.746 30 20 BFED C=CCC[C@H](O)CN(C)[C@@H](C)c1ccco1 268533574 JECSUCHVYJDGNN-RYUDHWBXSA-N 223.316 2.600 30 20 BFED CC1=CCN(CC#Cc2ccc(F)cc2)CC1 270104731 CEJMAZZCXHZUGY-UHFFFAOYSA-N 229.298 2.829 30 20 BFED C#CCCN(C)C[C@H](C)c1ccccc1 270601309 LSFKTHQSPNDYEM-ZDUSSCGKSA-N 201.313 2.745 30 20 BFED C[C@H](NCCCC#N)c1ccc(N(C)C)cc1 273313722 XJKNAUQKAAXQDQ-LBPRGKRZSA-N 231.343 2.707 30 20 BFED C=CCCCCNc1ncnc2ncccc12 274491642 IPNFOQRCBOAVJS-UHFFFAOYSA-N 228.299 2.793 30 20 BFED N#CCCN(CC1CC1)C(=O)C1=CCCCC1 275720494 MAWVFVAKWSLRHN-UHFFFAOYSA-N 232.327 2.639 30 20 BFED CCOC(=O)CCCOc1ccc(C#N)c(C)c1 277438177 GQWOQBPERCBCRI-UHFFFAOYSA-N 247.294 2.589 30 20 BFED C=CCCCSCc1ncnn1CCC 279920860 WHJRDWJTJUTFKS-UHFFFAOYSA-N 225.361 2.888 30 20 BFED C#CCCCC(=O)Oc1ccc(C#N)cc1CC 281676907 CXQSVTNAUHIWDB-UHFFFAOYSA-N 241.290 2.830 30 20 BFED C=C(C)Cn1c(C2CC2)nnc1N1CC[C@@H](C)C1 282822304 IXFVCMGNOSXZNP-LLVKDONJSA-N 246.358 2.578 30 20 BFED CC#CC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 283178302 LCKYPFWCDUOBRQ-SMDDNHRTSA-N 245.297 2.759 30 20 BFED N/C(CCc1ccccc1)=N\OCCCCF 285100468 JEKAVYPGCKLOHH-UHFFFAOYSA-N 238.306 2.658 30 20 BFED Cc1nsc(N[C@@H]2CCC2(C)C)c1C#N 286540622 VRMQPVJOPIPDTP-SECBINFHSA-N 221.329 2.924 30 20 BFED C=CCCCCCCNC(=O)c1cn[nH]c1C 286902944 FKPKNPVYPLAWQP-UHFFFAOYSA-N 235.331 2.584 30 20 BFED Cc1ccccc1CSC[C@H](O)CC#N 287193311 LCVNNRNHSWTZEA-GFCCVEGCSA-N 221.325 2.503 30 20 BFED C#C[C@@H](C)NCc1ccc(OCC)c(OCC)c1 289382064 MOIZZQYETULNIF-GFCCVEGCSA-N 247.338 2.595 30 20 BFED CC[C@@](C)(C#N)c1nc([C@](C)(CC)OC)no1 290212463 XEMYEIMJAZNUNU-RYUDHWBXSA-N 237.303 2.532 30 20 BFED Cc1cc(F)ccc1C(=O)N[C@]1(C#N)CC1(C)C 291425559 LDDJDRBJQJZTJK-AWEZNQCLSA-N 246.285 2.556 30 20 BFED CC[C@@H]1CN(c2ccc(C#N)c(C)n2)CCS1 292090969 YPRIUVUVWUCEKN-GFCCVEGCSA-N 247.367 2.594 30 20 BFED C#CCN(C)C(=O)N[C@H](CCC)c1ccccc1 292440670 NUPLWUTVZZWQJC-CQSZACIVSA-N 244.338 2.802 30 20 BFED C=CCN(CCC#N)C[C@H]1C[C@H]2C=C[C@H]1C2 292734703 GTOFDNONQMQPOW-MELADBBJSA-N 216.328 2.600 30 20 BFED C=CCSCC(=O)N(CC(C)C)C1CC1 298744184 MWPPCSMLJPDNOU-UHFFFAOYSA-N 227.373 2.553 30 20 BFED C=CCN(Cc1ccccc1F)[C@@H](C)COC 299409239 OJLOIYUEGORHEJ-LBPRGKRZSA-N 237.318 2.849 30 20 BFED C=C(Cl)C[S@@](=O)Cc1ccccc1OC 299455840 UZERMESQLBEEFT-OAHLLOKOSA-N 244.743 2.696 30 20 BFED CC(C)CC[C@@H]1CCCN1c1ccc(C#N)nn1 301987982 ZVPIRWZWRKHENB-ZDUSSCGKSA-N 244.342 2.753 30 20 BFED C=C[C@@H](Nc1ccc(OC(C)C)cc1)C(=O)OC 306060529 WVDCNDPNXRLPTG-CYBMUJFWSA-N 249.310 2.613 30 20 BFED Cc1sccc1CNCC(C)(C)C#N 308646848 HTNWNPDREXSIMF-UHFFFAOYSA-N 208.330 2.696 30 20 BFED N#CCCCCN[C@H]1CCC[C@H]1C1CC1 308851891 CHGZIZXBXJKKIF-STQMWFEESA-N 206.333 2.849 30 20 BFED C#C[C@@H](C)NCc1ccc(C(F)(F)F)s1 309145793 VCZYZBHVPQPZLN-SSDOTTSWSA-N 233.258 2.878 30 20 BFED C=CCC[C@H](CC)NCCOC(F)(F)F 309204620 RWQISPCQBCCZCH-VIFPVBQESA-N 225.254 2.857 30 20 BFED CC[C@@H](CC#N)Nc1cc(C(C)C)ncn1 310021820 NTCKCQCQYCHQKN-JTQLQIEISA-N 218.304 2.704 30 20 BFED C=CCC[C@@H](CCC)NC[C@@H](CO)C(C)C 310026372 PMVQTEWGTDPHBF-UONOGXRCSA-N 227.392 2.975 30 20 BFED C=CCC[C@@H](CO)NCc1ccc(CC)cc1 320687710 VYDTWEXSHQGKPF-HNNXBMFYSA-N 233.355 2.666 30 20 BFED Cc1cnc(N=C(O)[C@@H]2CCC(=O)[C@H](C)C2)o1 329370975 JXZNYNHQKOFKFW-VXNVDRBHSA-N 236.271 2.576 30 20 BFED CC(C)C[C@](C)(C#N)/N=C(/O)c1ccoc1 330754135 FAPCNPBTECXWGH-GFCCVEGCSA-N 220.272 2.913 30 20 BFED C[C@@H]1CCN(C(=O)CC(C)(C)C#N)CC12CCC2 334201874 ONFWMHYBHXESNK-GFCCVEGCSA-N 248.370 2.965 30 20 BFED CC1(C)CCCN([C@@H]2CC[C@@H](C#N)C2)C1 334244709 RCPGVXPZUBKVCU-VXGBXAGGSA-N 206.333 2.801 30 20 BFED C=CCn1cccc1C(=O)N1CCCCCC1 334552966 HSHTUDPJSGNRCZ-UHFFFAOYSA-N 232.327 2.690 30 20 BFED CC1(C)CCCN1C(=O)c1cscc1C#N 334557602 UGJYDHKGWCFRTP-UHFFFAOYSA-N 234.324 2.634 30 20 BFED CCN(C(=O)c1ccc(C#N)s1)C1CCC1 335185314 DPBOPAFIAPURIO-UHFFFAOYSA-N 234.324 2.634 30 20 BFED C[C@@H](CC#N)N(C)C(=O)C1=CCC(C)(C)CC1 335220545 FNMNAEBMKMXYSP-NSHDSACASA-N 234.343 2.883 30 20 BFED C[C@@H]1CC(C)(C)CN1Cc1cc(C#N)n(C)c1 335261465 KJLNQYAZTZQOOP-LLVKDONJSA-N 231.343 2.517 30 20 BFED Cc1[nH]c(C#N)cc1-c1nc(C(C)(C)C)no1 335591360 VCLWRXHRPUBZJV-UHFFFAOYSA-N 230.271 2.542 30 20 BFED C=C1CCN(C(=O)[C@H](C)[C@H](C)CC)CC1 335724072 CKVNYWKGBHJRDJ-VXGBXAGGSA-N 209.333 2.847 30 20 BFED N#Cc1ccccc1COc1ccncc1 335773913 OJDJXHKRGZKKEO-UHFFFAOYSA-N 210.236 2.532 30 20 BFED Cc1cc(C)cc(NC(=O)NCC(C)(C)C#N)c1 335858508 ONNIZVNAOWICTE-UHFFFAOYSA-N 245.326 2.975 30 20 BFED C=CCCSC[C@H]1CCC[C@@H](O)C1 336646612 CRGXGFNUBRDKOR-WDEREUQCSA-N 200.347 2.847 30 20 BFED N#CCCCN[C@@H](c1ccccc1)C(F)F 336661857 CHFUBKJGWWQQRP-NSHDSACASA-N 224.254 2.886 30 20 BFED C=CCCOCCN[C@@H]1CS[C@H](C(C)C)C1 336690870 WNKONSQVBQCIFH-STQMWFEESA-N 243.416 2.699 30 20 BFED C=C(C)[C@H](CC(=O)N[C@H]1CCC[C@@H]1C)OCC 337164378 WSQQZPSVUCMELK-AVGNSLFASA-N 239.359 2.663 30 20 BFED C=C[C@@H]1CCCCN1C(=O)c1coc(CCC)n1 338036408 ZKTMKHLVDKLVQK-LLVKDONJSA-N 248.326 2.808 30 20 BFED Cc1ccc(N2CC[C@H](CC3CC3)C2)nc1C#N 338806297 XLDJYKYRIHNKAU-CYBMUJFWSA-N 241.338 2.888 30 20 BFED C=CCCOc1ccc(-c2cn(CC)nn2)cc1 339028475 YIJNCKZWVYNLQM-UHFFFAOYSA-N 243.310 2.920 30 20 BFED C=CC[C@H](CC)NCc1cn2ccccc2n1 341466175 QLWNTIFJFKGUBL-LBPRGKRZSA-N 229.327 2.779 30 20 BFED Cc1cccc([C@@H](C)C(=O)NCCCC#N)c1 342663475 ZKAQGSCUGSGREJ-GFCCVEGCSA-N 230.311 2.519 30 20 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20 BFED C=CC1(OC(=O)c2nc(Cl)sc2C)CC1 893358350 GCDVMOMFSDAKLN-UHFFFAOYSA-N 243.715 2.980 30 20 BFED Cc1cc(F)ncc1CNCC(C)(C)CC#N 894854495 IXLASDIDYOBWAT-UHFFFAOYSA-N 235.306 2.559 30 20 BFED C=C[C@](C)(O)Cc1nc(-c2cccc(C)c2)no1 895962554 DNGJUMIRQNVWIO-AWEZNQCLSA-N 244.294 2.525 30 20 BFED C[C@@H]1CCC[C@@H]1CC(=O)Nc1ncc(C#N)s1 896487028 ZKAMYARTOOYQKT-RKDXNWHRSA-N 249.339 2.780 30 20 BFED CC#CCCCc1nc(C2(SC)CC2)no1 896783114 YXUGENOKTAWVHM-UHFFFAOYSA-N 236.340 2.768 30 20 BFED C=C1CN(C(=O)[C@H]2CCSc3ccccc32)C1 898697065 OLBGWYDDXBYSRS-LBPRGKRZSA-N 245.347 2.664 30 20 BFED Cc1cc(C)cc(C=NN[C@@H]2CCCC[C@H]2O)c1 901338975 HPBDVIWVRVWGJJ-HUUCEWRRSA-N 246.354 2.530 30 20 BFED C=CCC[C@H](N[C@H]1CC(C)(C)C[C@@H]1C)C(=O)O 901690203 MFEGNNQTOYAJNI-SRVKXCTJSA-N 239.359 2.820 30 20 BFED CC(C)(C#N)CN[C@@H]1CCCc2ncccc21 903102413 YMNBQVPNEQCWJL-CYBMUJFWSA-N 229.327 2.598 30 20 BFED C=C[C@H](CC)CC(=O)OCC1CCOCC1 909524809 JQMCDMUHJHFTDT-LLVKDONJSA-N 226.316 2.559 30 20 BFED CCC(C=NNC(=S)NCCC(C)C)CC 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243.285 2.653 30 20 BFED C=CCCOC(=O)CCc1ccc2c(c1)CCO2 1324064809 RQSVCWLKMUYPJI-UHFFFAOYSA-N 246.306 2.673 30 20 BFED C=CC(C)(C)c1nc([C@@H](N)c2ccccc2)no1 1326980171 YLIHUESDOHTCGE-NSHDSACASA-N 243.310 2.581 30 20 BFED Cc1cccc(-c2nnc(CC(C)(C)C#N)o2)n1 1327038704 KMXHHGCKKRAHRG-UHFFFAOYSA-N 242.282 2.532 30 20 BFED N#CCc1cccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)n1 1328649938 UMXZEBPBFGYKAE-KGYLQXTDSA-N 227.311 2.748 30 20 BFED C#CCN(CC1CC1)C(=O)C[C@H](C)c1ccco1 1328917573 VXQIQZFULMPBGI-LBPRGKRZSA-N 245.322 2.645 30 20 BFED CCC(C#N)(CC)C(=O)N[C@H]1C=CCCC1 1330455987 DEHHGQHRTPEMKT-NSHDSACASA-N 220.316 2.541 30 20 BFED C#CCN(CC#N)Cc1ccc(C)c(Cl)c1 1333873402 PHCQKAQBBWORQF-UHFFFAOYSA-N 232.714 2.607 30 20 BFED C=CC(C)(C)CC(=O)OC[C@]1(C)C[C@H]1F 1343500813 KXPWFCNKNJJTCP-SKDRFNHKSA-N 214.280 2.880 30 20 BFED C=CCONC(=O)C1(Sc2ccccc2)CC1 1344518267 NLBPRTPMQWHBKD-UHFFFAOYSA-N 249.335 2.545 30 20 BFED C=C1CCC(C(=O)O[C@H]2CCSC2)CC1 1345162852 OQVCGWCXQXLYBT-NSHDSACASA-N 226.341 2.782 30 20 BFED C#C[C@@H](OC(=O)[C@H](F)CC)c1ccc(C)cc1 1345679703 FQHCIMLVGZWVHR-CHWSQXEVSA-N 234.270 2.961 30 20 BFED C=C(C)[C@@H](C)OC(=O)c1cnn(CCC)c1C 1518058668 UAVRZZXHKXEBQT-LLVKDONJSA-N 236.315 2.723 30 20 BFED CCn1ccnc1[C@H](C#N)C(=O)C(C)(C)C(C)C 1520035307 AYGXOBRELWGPNB-LLVKDONJSA-N 247.342 2.761 30 20 BFED CC[C@@H](CC#N)OC(=O)c1cc(C)nc(C)c1 1525462837 UXHWXIYYOBGJQX-LBPRGKRZSA-N 232.283 2.548 30 20 BFED C=CCCc1ccccc1NC(=O)CC(C)(C)N 1573310971 TXUGTPMADVJOIZ-UHFFFAOYSA-N 246.354 2.871 30 20 BFED C=C(CC)CN[C@@H](C(=O)O)c1ccc(F)cc1 1573329927 QBZBGAMIBBSBJB-GFCCVEGCSA-N 237.274 2.507 30 20 BFED C#C[C@](C)(CC)N[C@H](C(=O)O)c1ccccc1C 1588367043 HNSVJJZMIFIUPX-DZGCQCFKSA-N 245.322 2.512 30 20 BFED C=CCCCCN[C@H](C)c1cc(C(=O)O)co1 1609329161 GLXOEBYQKUNMPR-SNVBAGLBSA-N 237.299 2.985 30 20 BFED C=CC[C@]1(C(=O)O)CCN(CC[C@@H](C)CC)C1 1776160381 GJGLOCAZAVGJMG-JSGCOSHPSA-N 239.359 2.775 30 20 BFED C=CCc1ccccc1CN[C@H](C)[C@H](C)C(=O)O 1776188420 NOJOJLHQTAHOPA-NWDGAFQWSA-N 247.338 2.614 30 20 BFED C#Cc1c[nH]c2cccc(Br)c12 1898243830 WSUVZIQBRWBTES-UHFFFAOYSA-N 220.069 2.912 30 20 BFED Oc1ccccc1/C=N\C[C@@H](O)c1ccccc1 18118725 ZBCOAVKWIKRCFX-CCAPLTMGSA-N 241.290 2.545 30 20 BFED N#Cc1c(F)cccc1NCc1ccncc1 35134929 WUSMDVOGTBYEAB-UHFFFAOYSA-N 227.242 2.704 30 20 BFED CC[C@H]1CCCN1CCOc1ccccc1C#N 37913783 PRFYTNZHZNTUCL-AWEZNQCLSA-N 244.338 2.811 30 20 BFED C=CCSCC(=O)N1c2ccccc2C[C@@H]1C 44253404 QSAYVOKQBIKCEB-NSHDSACASA-N 247.363 2.883 30 20 BFED Cc1cc(C)cc(CNC[C@H](C)C#N)c1 54181880 CKZPBIHQHLCRQQ-GFCCVEGCSA-N 202.301 2.553 30 20 BFED CC[C@@H](C)CNCc1cccc(OCC#N)c1 54468173 MITNIPGWEKVPCD-GFCCVEGCSA-N 232.327 2.725 30 20 BFED CCCCCCCCNC(=O)NCC 59431024 WHMSUHZVHXORRZ-UHFFFAOYSA-N 200.326 2.666 30 20 BFED C#CCNC(=O)CCc1ccc(C(C)(C)C)cc1 61495355 BZWYLPBUMZGUPL-UHFFFAOYSA-N 243.350 2.666 30 20 BFED N#Cc1ccc(COc2ccccn2)cc1 66060011 LXXRARUGKGLKJA-UHFFFAOYSA-N 210.236 2.532 30 20 BFED C(=N/OCc1noc(C2CC2)n1)\c1cccs1 67096953 AISMRHRVMDCPMP-WUXMJOGZSA-N 249.295 2.559 30 20 BFED C=CCNC(=O)N(C)[C@H](C)c1ccc(OC)cc1 74275421 ONTZOFAVOWMWOM-LLVKDONJSA-N 248.326 2.584 30 20 BFED CCS[C@@H]1CC[C@@H](N(C)CCCC#N)C1 76067452 RHIMDOUXUGYXTP-VXGBXAGGSA-N 226.389 2.896 30 20 BFED N#Cc1ccc(NC[C@@H]2CCCC[C@H]2O)c(F)c1 77208352 XUOKHBVKJAAALR-SMDDNHRTSA-N 248.301 2.660 30 20 BFED CC(C)[C@@H](C)C(=O)N(CC#N)C1CCCC1 80212476 LHHAMTMAIDTQQU-LLVKDONJSA-N 222.332 2.573 30 20 BFED CCCCCCCCN1CCC(O)CC1 88204607 COEYZPAWECDQGF-UHFFFAOYSA-N 213.365 2.804 30 20 BFED CCCCCCCN(CC(=O)OC)C(C)C 88211606 GPFMOFRMTIFACE-UHFFFAOYSA-N 229.364 2.840 30 20 BFED CC[C@H](C#N)NC(=O)C[C@@H]1CCC[C@H](C)C1 102352675 FQPJUBQSSBMCDM-QJPTWQEYSA-N 222.332 2.621 30 20 BFED C=CC[C@@H](C)NC(=O)c1cc2ccccc2[nH]1 116852715 WEUPOUFAKSYITM-SNVBAGLBSA-N 228.295 2.862 30 20 BFED CCCCCCCCN[C@H](CO)C(C)C 117924150 IETOEZKOLYDXHC-CYBMUJFWSA-N 215.381 2.953 30 20 BFED CCC1(C)CCN(C(=O)C2(C#N)CC(C)C2)CC1 125796209 QZOAQNRTMNWPBG-UHFFFAOYSA-N 248.370 2.965 30 20 BFED CCCCCCCCC(=O)N(C)[C@H](C)CO 126498834 WGKRIJSKEYEMGI-GFCCVEGCSA-N 229.364 2.576 30 20 BFED C=CCC[C@H](C)NCCc1nc(C)cs1 126754957 CRTXVYZVIHTERG-JTQLQIEISA-N 224.373 2.938 30 20 BFED CCO[C@@H]1C[C@H](N(C)CC#N)C12CCCCC2 127379179 ICOQWVYJDZKLJO-QWHCGFSZSA-N 236.359 2.570 30 20 BFED C=CCNC1=NN=C(c2ccccc2C)CS1 128064622 OWZGMUNWBQGRAC-UHFFFAOYSA-N 245.351 2.578 30 20 BFED C#CCCCCNc1ccc(C#N)cc1[N+](=O)[O-] 130514632 FPAAXMJALBRQIG-UHFFFAOYSA-N 243.266 2.682 30 20 BFED CCCCCCCN[C@@H]1CCCC[C@@H]1C(N)=O 131008146 MYNPLXKOPYILRM-QWHCGFSZSA-N 240.391 2.591 30 20 BFED CCCCCCCN(C)Cc1nccn1C 153437418 ZFUFNMPYAWIHKT-UHFFFAOYSA-N 223.364 2.822 30 20 BFED CC#CCNC(=O)c1cc2ccc(Cl)cc2[nH]1 154481681 ARRSXCDYSSRRPD-UHFFFAOYSA-N 246.697 2.574 30 20 BFED N#Cc1ccc(OC(=O)c2ccoc2)c(F)c1 158213135 BPKQZRUCHMJWDX-UHFFFAOYSA-N 231.182 2.510 30 20 BFED C=CCN(C)c1ccnc(Cc2ccccc2)n1 160561900 BRVQUEXBFHDFGZ-UHFFFAOYSA-N 239.322 2.690 30 20 BFED CC#CCCNC(=O)c1cccc(F)c1Cl 164580614 ANAJUEJGGHKHLI-UHFFFAOYSA-N 239.677 2.622 30 20 BFED C=C(CNC[C@H]1C[C@H]1C)c1ccccc1 166918466 XFZVSJZXQYBMDW-BXUZGUMPSA-N 201.313 2.945 30 20 BFED C=CCCC(=O)N1CCc2c(F)cc(F)cc21 171435148 WRNPOJJIHPQJLP-UHFFFAOYSA-N 237.249 2.820 30 20 BFED C=CCN1C[C@H](C)OC[C@H]1c1ccccc1 174457492 FCWLBGZLHZUZFI-JSGCOSHPSA-N 217.312 2.634 30 20 BFED C#Cc1cccc(N(C)C(=O)[C@@H]2C[C@@H]2C2CC2)c1 177151919 POWVRUKKFFZRQI-HUUCEWRRSA-N 239.318 2.677 30 20 BFED C=CCCC(=O)NC[C@H]1CCCO[C@@H]1C(C)C 177937015 QEFFHLFDMWGZSH-TZMCWYRMSA-N 239.359 2.520 30 20 BFED Cc1cccc(C)c1NC(=O)c1c[nH]c(C#N)c1 182231772 GJVWIBYLIOCCHN-UHFFFAOYSA-N 239.278 2.756 30 20 BFED C#Cc1cccc(NC(=O)C(C)(C)CCOC)c1 183915678 XDSPYXRSGRTXHC-UHFFFAOYSA-N 245.322 2.669 30 20 BFED N#C[C@@H]1CCC[C@@H](NCc2ccccc2F)C1 185757189 KCAJUDASDXBAAN-DGCLKSJQSA-N 232.302 2.998 30 20 BFED CCOc1ccc(C#N)cc1N[C@@H](CC)COC 187819519 PCGFJMXMAIBJHS-LBPRGKRZSA-N 248.326 2.794 30 20 BFED CCC(=O)CCN(CCC#N)CCC(C)C 190263356 UHHNQHVKMFPAJC-UHFFFAOYSA-N 224.348 2.617 30 20 BFED CC1(C#N)CCN(C[C@@H]2CCC(C)(C)O2)CC1 229591192 YFLRNFPYDRSDOL-LBPRGKRZSA-N 236.359 2.570 30 20 BFED C=CCCOCCNc1ncc(Cl)cc1F 229870085 RXMZZFACFKLRHU-UHFFFAOYSA-N 244.697 2.879 30 20 BFED N#Cc1ccc(-c2nc(CC3CC3)no2)cc1 231659169 MICVUMIKKMDXHZ-UHFFFAOYSA-N 225.251 2.561 30 20 BFED C=C(CC)COc1cc(C#N)cc(OC)c1 232832949 LQXIXOROYPSPDO-UHFFFAOYSA-N 217.268 2.912 30 20 BFED C#CCOC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 245886692 IUEYUQUNQMXBAZ-RWMBFGLXSA-N 220.312 2.769 30 20 BFED CCN(CCC#N)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 249855580 ZRZNOGVRDOWMIT-AVGNSLFASA-N 234.343 2.575 30 20 BFED C=C(Br)CNC[C@@H]1C[C@H]2CC[C@H]1C2 250521814 MCWFGESNPXEBOZ-DCAQKATOSA-N 244.176 2.921 30 20 BFED N#Cc1cc(NCc2cccc(Cl)c2)ncn1 259668761 IPMHLTSSPHICSR-UHFFFAOYSA-N 244.685 2.614 30 20 BFED C[C@H](Nc1ncc(C#N)cc1Cl)C1CC1 265168417 YAWAYZAXOIURJV-ZETCQYMHSA-N 221.691 2.817 30 20 BFED CC#CCN(C)[C@@H](C)c1ccc(C#N)cc1 265998604 MYJDCFAVOXYKEH-LBPRGKRZSA-N 212.296 2.574 30 20 BFED C[C@@H](NCCOC1CCC1)c1ccc(C#N)cc1 266628908 SDMQBPQMSORZEC-GFCCVEGCSA-N 244.338 2.778 30 20 BFED CCCCCCCCNC(=O)c1csnn1 269960850 UATFIHYOMSEHMN-UHFFFAOYSA-N 241.360 2.628 30 20 BFED C=CCCCC(=O)N[C@@H](CCO)c1ccccc1 270787634 ZTVOKNURKZCPJY-AWEZNQCLSA-N 247.338 2.583 30 20 BFED C=CCCCC(=O)N[C@](C)(C#N)C(C)(C)C 274347738 QDJDJPMDGOGWEC-CYBMUJFWSA-N 222.332 2.787 30 20 BFED C=CCCCCNCc1cn2ccccc2n1 274588874 MYVFYIYLBYTSMO-UHFFFAOYSA-N 229.327 2.780 30 20 BFED Cc1nnc(N2CCCC[C@@H](C)C2)c(C#N)c1C 274737558 MWZUGOLVVKZSDH-SNVBAGLBSA-N 244.342 2.592 30 20 BFED C#CCCCNc1ccccc1OCC#C 274794613 NTTUXPCETCHWQD-UHFFFAOYSA-N 213.280 2.524 30 20 BFED C=CCN(C)C(=O)N[C@@H](CC)c1ccccc1 275194458 GKDLSXRHZAENOY-ZDUSSCGKSA-N 232.327 2.965 30 20 BFED C/C=C(\CC)C(=O)Nc1cc(C#N)ccc1OC 276565573 NIGOALYRSMAVHG-NYYWCZLTSA-N 244.294 2.862 30 20 BFED CC#CC(=O)NC[C@@H](c1ccccc1)C(C)C 277320065 FVJRDLFAVSGCKX-CQSZACIVSA-N 229.323 2.566 30 20 BFED C#CCCCOc1ccccc1-c1ccnn1C 279833410 FTHUEKWYMUWGRQ-UHFFFAOYSA-N 240.306 2.879 30 20 BFED C=CCN1CC[C@H](Sc2cccc(C)c2)C1=O 280875589 BXDMMSRQDADXSM-ZDUSSCGKSA-N 247.363 2.874 30 20 BFED C=CC[C@@H](CC)NC(=O)c1oc(C)cc1C 281069442 MLSOCSFGTAQVRA-LLVKDONJSA-N 221.300 2.981 30 20 BFED C=C(C)Cn1c(C2CCC2)nnc1N1CCCC1 283063397 WUNPEUURMSWPLN-UHFFFAOYSA-N 246.358 2.722 30 20 BFED C=CCCCCCCNC(=O)c1cc(C)nn1C 287194316 UKTVIXVKVKLBPG-UHFFFAOYSA-N 249.358 2.595 30 20 BFED Cc1ccc(C(=O)N[C@@]2(C#N)CC2(C)C)cc1C 291502175 VILCTUWSNQDAJN-OAHLLOKOSA-N 242.322 2.726 30 20 BFED C=CCN(CCC#N)[C@H](C)c1cccnc1 292276541 SONRMJTXSJMDAU-GFCCVEGCSA-N 215.300 2.544 30 20 BFED CC#CCN[C@H](c1ccccc1)C(F)F 292592354 DAYMHBKUUJHJQA-LLVKDONJSA-N 209.239 2.606 30 20 BFED CN(OCc1ccccc1)[C@H]1CC[C@@H](C#N)C1 293749590 IOAXYXRHROQGEL-KGLIPLIRSA-N 230.311 2.742 30 20 BFED C=CC(C)(C)C(=O)NCc1ccc(OC)cc1 294498760 WYEAGHDRSZLBED-UHFFFAOYSA-N 233.311 2.524 30 20 BFED CSc1ccc(C)c(C(=O)N(C)[C@H](C)C#N)c1 297649552 DXQDVKCHJKEVQB-SNVBAGLBSA-N 248.351 2.701 30 20 BFED C=CCN(CC=C)[C@@H](C)c1nc(C2CC2)no1 297741818 DBSRRMJYZKRXCJ-JTQLQIEISA-N 233.315 2.682 30 20 BFED C=C(C)CN(C)c1cccc(F)c1[N+](=O)[O-] 302049338 OKNITBSKEDCYFK-UHFFFAOYSA-N 224.235 2.746 30 20 BFED CCCC/N=C(\N)N[C@H](C)CCCC(C)C 303716692 SUQVHPYQCONHGN-GFCCVEGCSA-N 227.396 2.906 30 20 BFED Cc1ccc(C)c(NCCO[C@@H](C)C#N)c1 304293285 ZHIDPEJOMOCLIB-LBPRGKRZSA-N 218.300 2.644 30 20 BFED Cc1cc(N[C@H]2CCS[C@H]2C)cc(C#N)n1 308278481 OUGUZBVQLLXRRY-CABZTGNLSA-N 233.340 2.568 30 20 BFED N#Cc1cncnc1SCC1CCCC1 308799834 ADPBPRAJFFVPIR-UHFFFAOYSA-N 219.313 2.631 30 20 BFED CCOC1(C)CCN(CCC(C)(C)C#N)CC1 310437836 RRYPRQSEDCDADC-UHFFFAOYSA-N 238.375 2.817 30 20 BFED CC(C)(CC#N)CNC(=O)c1ccc(Cl)o1 315959619 LFOMRZNSCYFUTA-UHFFFAOYSA-N 240.690 2.603 30 20 BFED C=CCC[C@H](CO)NCc1ccc(C2CC2)cc1 320332595 ZKDFECLLSRHNLW-MRXNPFEDSA-N 245.366 2.981 30 20 BFED C=CCC[C@@H](CO)N[C@@H](C)c1cccc(C)c1 320341698 BBYUMSKDFOLHAF-ZFWWWQNUSA-N 233.355 2.973 30 20 BFED Cc1nnccc1N/C(O)=N/[C@H]1CCC(C)(C)C1 330122779 KLKSYYMPIXVKBI-JTQLQIEISA-N 248.330 2.690 30 20 BFED O/C(C[C@@H]1C=CCCC1)=N/Cc1cnc[nH]1 330292594 DJXWHQZXEFHAPW-SNVBAGLBSA-N 219.288 2.613 30 20 BFED CCN(C[C@@H](C)C#N)[C@@H](C)c1ncc(C)o1 330646307 ZDHPTZKPZKQQLG-ONGXEEELSA-N 221.304 2.526 30 20 BFED CCc1ccnc(C/N=C(/O)NC(C)(C)CC)c1 331255491 VJGKQRBACCBYPL-UHFFFAOYSA-N 249.358 2.836 30 20 BFED C=CCCC(=O)N1CC2(CCCCC2)C1 334197154 KSRLVNAVPRYBBW-UHFFFAOYSA-N 207.317 2.745 30 20 BFED N#CC1(CN2CCC[C@@H](c3nccs3)C2)CC1 334230734 SHBYNMIICJWQMY-LLVKDONJSA-N 247.367 2.626 30 20 BFED CCN1CC=C(c2ccc(C#N)cc2)CC1 334722075 WPHWMECPEPSLAD-UHFFFAOYSA-N 212.296 2.667 30 20 BFED C=CC(C)(C)C(=O)N(C)[C@H]1CC[C@@H](C)C1 335579839 LFNUQPMRXBZSRY-MNOVXSKESA-N 209.333 2.846 30 20 BFED C=C[C@H]1CCCCN1C(=O)c1c(CC)noc1C 336313977 IQVHAJOLRPDFKU-NSHDSACASA-N 248.326 2.726 30 20 BFED CC(C)=CCN1CCC[C@]2(CCCCO2)[C@@H]1C#N 336334216 FATYKHDTMUSWJP-LSDHHAIUSA-N 248.370 2.880 30 20 BFED CCS[C@H]1CCCC[C@@H]1NCC1(C#N)CC1 336781797 VQZMJJVNAXEUDD-RYUDHWBXSA-N 238.400 2.944 30 20 BFED C=CC[C@H](CC)NC(=O)N(C)CC(F)(F)F 337244284 NZCYZMMLZTXTDC-QMMMGPOBSA-N 238.253 2.545 30 20 BFED C=CCCN1CCN(CCC=C)C(C)(C)C1 338564543 IRZWBYZJDRQIQZ-UHFFFAOYSA-N 222.376 2.535 30 20 BFED C=CCOCCCSCc1ncc(C)cn1 342015109 HIYRJTCKVUCDLX-UHFFFAOYSA-N 238.356 2.611 30 20 BFED C=CCCC[C@@H](C)NC(=O)c1c[nH]cc1C 343252038 QVGGLLHJHCYVTR-LLVKDONJSA-N 220.316 2.798 30 20 BFED C=CCCC[C@H](C)NC(=O)c1cc[nH]c1C 343262926 WJUKYCURQZGKRA-JTQLQIEISA-N 220.316 2.798 30 20 BFED C=CC[C@@H](CC)NC(=O)N[C@H]1C=CCCC1 344325564 HUXDMBMEBOBXTA-NEPJUHHUSA-N 222.332 2.749 30 20 BFED CCc1cnc(CN(CCC#N)CC2CC2)s1 346141000 NMTCHPIAJBASCP-UHFFFAOYSA-N 249.383 2.831 30 20 BFED Cc1ccccc1[C@H](NC(=O)[C@@H](C)C#N)C1CC1 347116351 RVGOAAZQDPIWSO-SMDDNHRTSA-N 242.322 2.722 30 20 BFED Cc1cc(O)nc(/C=C\c2ccccc2C#N)n1 352029179 XXBHHHNAKIMQAR-SREVYHEPSA-N 237.262 2.533 30 20 BFED CC(C)(C)[C@@](C)(C#N)NC(=O)C[C@H]1C=CCC1 354314212 ADXOMMUMBDFOAS-SMDDNHRTSA-N 234.343 2.787 30 20 BFED C=CCCCn1cnc2cccc(F)c2c1=O 356636053 QGAQHDLYBKPSII-UHFFFAOYSA-N 232.258 2.502 30 20 BFED CCCNc1ccccc1NC(=O)[C@@H](C)C#N 359902964 QSWRCDZANXAFSK-JTQLQIEISA-N 231.299 2.607 30 20 BFED C=C[C@@H](C)NC(=O)N(C)Cc1cccc(F)c1 362381617 ZYGAKARVTQHZAB-SNVBAGLBSA-N 236.290 2.542 30 20 BFED C=CCC[C@H](N[C@@H]1CCc2c[nH]nc2C1)C1CC1 372181946 TUYIVFQBEJXKRF-KGLIPLIRSA-N 245.370 2.601 30 20 BFED N#CCC[C@H](C#N)CN1CC[C@H](C2CCCC2)C1 420961816 JCGXZKISJJHSAV-HIFRSBDPSA-N 245.370 2.942 30 20 BFED N#Cc1cccc2c1CCN2CCC(F)(F)F 420972135 JQOFZECDCLCFNZ-UHFFFAOYSA-N 240.228 2.873 30 20 BFED C=CCn1cc(CN[C@H]2CCCC[C@@H]2CC)nn1 424294873 LNBFMGQEDDOOAH-JSGCOSHPSA-N 248.374 2.523 30 20 BFED C=C[C@@H]1CCCCN1Cc1cccc(O)c1OC 426570866 PQWPLCUFDBQJSW-CYBMUJFWSA-N 247.338 2.941 30 20 BFED C=CCC[C@H](O)CN1CCc2cccc(C)c2C1 429565468 HMLGBTGKCJAWJO-HNNXBMFYSA-N 245.366 2.680 30 20 BFED C=CCN(CC=C)C(=O)c1c(C)nsc1C 431275336 QNMAQUMPJKUSKY-UHFFFAOYSA-N 236.340 2.574 30 20 BFED CN(C)C1(CN[C@H]2CC[C@H](C#N)C2)CCCCC1 442632636 FJUOAHIRKBREKZ-KBPBESRZSA-N 249.402 2.533 30 20 BFED C=CCCCC[C@@H](C)NCCc1cnccn1 449201289 GNJWFVCOGCIOGL-CYBMUJFWSA-N 233.359 2.744 30 20 BFED C[C@H](Nc1cccc(CC#N)c1)[C@H]1CCCOC1 449705726 YZUDHHOPGFIFMR-JSGCOSHPSA-N 244.338 2.980 30 20 BFED CC/C=C\CNC(=O)[C@]1(C#N)CC12CCCC2 452601274 KVSPBQUPWPRQPJ-JHAQOBCDSA-N 232.327 2.543 30 20 BFED C=C(C)CCNC(=O)c1cccc(OC(C)C)n1 452716871 JGWCBEHXAXJZKK-UHFFFAOYSA-N 248.326 2.565 30 20 BFED C=C[C@@H]1OCC[C@H]1NC(=O)CCCC(C)(C)C 452921890 JNAZYEVTCIFSOT-NEPJUHHUSA-N 239.359 2.663 30 20 BFED C=C(CC)CNC(=O)c1cc(F)cc(F)c1 453013234 KDHKYPAJFUOVBU-UHFFFAOYSA-N 225.238 2.661 30 20 BFED C=C(CC)CNC(=O)NCC1(C(C)C)CC1 454629191 ZAUNMIDAJCEKAH-UHFFFAOYSA-N 224.348 2.688 30 20 BFED C=CC[C@H](CC)NC(=O)N[C@H]1CCC[C@H]1F 454924132 XYFUQNOSJOSRGZ-AXFHLTTASA-N 228.311 2.531 30 20 BFED C=C[C@@](C)(CC)C(=O)NC1CCC(OC)CC1 458074542 WSGQVKBMTJBLBA-YIZWMMSDSA-N 239.359 2.663 30 20 BFED N#Cc1cnc(NCCn2cccc2)c(Cl)c1 487619099 QDVGSTICEHPIDQ-UHFFFAOYSA-N 246.701 2.520 30 20 BFED C=CC[C@H](C)NC(=O)N1CC[C@@H]2CCC[C@@H]21 488909799 CDWSYSRSEGYKMX-SRVKXCTJSA-N 222.332 2.535 30 20 BFED C#C[C@@H](NC(=O)[C@@H](C)c1ccccc1F)C(C)C 490629020 JWGLXOJFTUUUBF-SMDDNHRTSA-N 247.313 2.703 30 20 BFED C#C[C@@H](CCC)NC(=O)C1=CC[C@H](C)CC1 491373051 LTOOKWATAIWMNX-AAEUAGOBSA-N 219.328 2.651 30 20 BFED C#C[C@@H](C)N(C)C(=O)[C@@H]1CCC(C)=C(C)C1 491787959 YKLWMERFLUNGJQ-CHWSQXEVSA-N 219.328 2.603 30 20 BFED C=CCCCN(C)C/C=C\c1ccncc1 494935161 WTIULSQBFXNEJQ-SREVYHEPSA-N 216.328 2.993 30 20 BFED C=CCN(CC=C)C[C@H]1C[C@H]2C=C[C@H]1C2 505895173 UYTCSHRUKVWZGS-MELADBBJSA-N 203.329 2.873 30 20 BFED CC[C@H](C)[C@@H]1CCCCN1c1cc(C#N)ncn1 516703886 GOYPTGSLKAAECW-AAEUAGOBSA-N 244.342 2.753 30 20 BFED CCC(C#N)(CC)c1nc(CC(C)C)no1 528060787 NRURBVVRQQVHMO-UHFFFAOYSA-N 221.304 2.849 30 20 BFED C[C@H]1CC(F)(F)CCN1c1ccc(C#N)cn1 528205030 AQSDCBVBNLPEKV-VIFPVBQESA-N 237.253 2.577 30 20 BFED Cc1cccc([C@@H](C)C(=O)NC(C)(C)C#N)c1 542830612 IOTZTIPAJSVMGB-LLVKDONJSA-N 230.311 2.517 30 20 BFED C=CCCCCN1CC[S@](=O)C(C)(C)CC1 562552709 LROOINZYFMNGPT-INIZCTEOSA-N 243.416 2.576 30 20 BFED C[C@@H]1C[C@]1(C#N)C(=O)NCC(C)(C)C1=CCCC1 579081132 HSSNAWLXZKPSAY-IAQYHMDHSA-N 246.354 2.789 30 20 BFED CC#CCNC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 583473328 IBNHDKKULIYOIM-MGPQQGTHSA-N 248.370 2.668 30 20 BFED CC#CCON=Cc1ccc(Cl)cc1 588471360 OHSUWRHMNUHGFQ-UHFFFAOYSA-N 207.660 2.714 30 20 BFED N#CCCCCCC(=O)N1CC[C@@H]2CCC[C@H]21 588691014 BKZJOLAKINLVCI-QWHCGFSZSA-N 234.343 2.861 30 20 BFED C=CCN(CCC#N)Cc1nc2c(s1)CCC2 590050717 QLHCNOFTKFMXEH-UHFFFAOYSA-N 247.367 2.533 30 20 BFED N#CCN(CC#N)C(=O)CCC1CCCCCC1 593981769 QSCMHXXTTKCPGL-UHFFFAOYSA-N 247.342 2.613 30 20 BFED CCN(CCCC(C)(C)C#N)c1cnn(C)c1 594037885 IZUKCVQKORPQFI-UHFFFAOYSA-N 234.347 2.576 30 20 BFED CC(C)(F)CCNC(=O)c1cccc(CC#N)c1 598196992 RBSLEUNAMJMSPP-UHFFFAOYSA-N 248.301 2.621 30 20 BFED COc1ccc(C#N)cc1N[C@@H]1CS[C@H](C)C1 602588504 ATOZFJGYCZQAED-KOLCDFICSA-N 248.351 2.873 30 20 BFED CC(C)CCCNC(=O)Nc1ccnc(C#N)c1 603127486 GODNDIWUHUJHRE-UHFFFAOYSA-N 246.314 2.511 30 20 BFED CCN(CCCOC(C)(C)C)C[C@@H](C)C#N 610681277 PHLURIREUJHCLJ-LBPRGKRZSA-N 226.364 2.673 30 20 BFED Cc1cc(=N[C@@H](C)c2cccc(C#N)c2)cc[nH]1 614135630 KHYZEUAMNHSXJM-LBPRGKRZSA-N 237.306 2.857 30 20 BFED C=CCN(C)c1nc(C(C)(C)C)ccc1C#N 614522040 ZBJWMRBLHNEHOO-UHFFFAOYSA-N 229.327 2.873 30 20 BFED C=CCN(C(=O)c1ocnc1C1CC1)C(C)(C)C 622945404 CLMCADDJUHXZAO-UHFFFAOYSA-N 248.326 2.979 30 20 BFED C=CCCCCCN(C)C(=O)C1CC(OC)C1 625759089 TYDUKUXZNMIISG-UHFFFAOYSA-N 239.359 2.616 30 20 BFED C=C[C@H](C)NC(=O)Cc1coc2ccc(C)cc12 626066882 TXZOUIMNUPFEMH-NSHDSACASA-N 243.306 2.974 30 20 BFED C=C1CN(c2ncnc3sc(CC)cc23)C1 641659282 OUXUVFCXXLXURP-UHFFFAOYSA-N 231.324 2.630 30 20 BFED C=CCCN(C)c1ncc(Cl)c(OCC)n1 651344678 PAWOYMFBAZPJLX-UHFFFAOYSA-N 241.722 2.541 30 20 BFED COCC#CCOc1ccc2ccccc2c1 678824990 HSRRCALJRGBCFA-UHFFFAOYSA-N 226.275 2.868 30 20 BFED N#Cc1cc2ccccc2nc1N1CC[C@@H]2C[C@H]2C1 711017875 SFQANVZJAXWZBH-RISCZKNCSA-N 249.317 2.953 30 20 BFED COC(C)(C)CCNCC(C)(C)CCC#N 711820100 JDJRFBDAQIBGQR-UHFFFAOYSA-N 226.364 2.721 30 20 BFED C=CCCC(=O)OCC(=O)c1ccc(C)s1 726651349 CGZTXBSVYGVWBB-UHFFFAOYSA-N 238.308 2.749 30 20 BFED C=CCOC(=O)C[C@@H]1CCc2ccccc2C1 732591752 YFKSFUOVNZDBMO-GFCCVEGCSA-N 230.307 2.911 30 20 BFED C#CC(C)(C)NC(=O)/C=C(/C)c1ccccc1 733885499 GUQBGXXRKOUVLT-QXMHVHEDSA-N 227.307 2.618 30 20 BFED C#CCCCNC(=O)N(Cc1ccco1)C(C)C 745902009 WTXXVWNRYBIBKJ-UHFFFAOYSA-N 248.326 2.613 30 20 BFED CCC1(C)CCC(=NN2CCOCC2)CC1 751515636 AACBJSDBKTZORP-UHFFFAOYSA-N 224.348 2.665 30 20 BFED CCCCCCCCNC(=O)N(C)OCC 753618289 VZFGMGLLFFHIQK-UHFFFAOYSA-N 230.352 2.940 30 20 BFED COc1ccc(C=NO[C@H]2CCCCO2)cc1C 755825177 VHNPTXOQKFIMQE-AWEZNQCLSA-N 249.310 2.881 30 20 BFED C=CCCC(C)=NNc1cncc(Cl)n1 758104856 PPJZYPIDVXPYDR-UHFFFAOYSA-N 224.695 2.884 30 20 BFED C#CCCCOC(=O)c1cc(Cl)cs1 758776381 IPLYKVHGOIDUQO-UHFFFAOYSA-N 228.700 2.972 30 20 BFED CCC(=NNc1cnn(C)c1)c1ccccc1 761871482 XUJOOBFZTQXWAV-UHFFFAOYSA-N 228.299 2.646 30 20 BFED C#C[C@H](C)N(C)c1ccc(C#N)c(Cl)c1 767442191 QZACESIEXSEPCX-VIFPVBQESA-N 218.687 2.670 30 20 BFED C#CCC(C)(C)C(=O)OCc1ncc(C)s1 767664465 PDCRDZAHGUAGPU-UHFFFAOYSA-N 237.324 2.544 30 20 BFED C#C[C@H](C)N(C)Cc1ccc(Cl)c(F)c1 769962141 RQTQUEFMRCVVLU-VIFPVBQESA-N 225.694 2.933 30 20 BFED N#Cc1c(Cl)nsc1N1CCC(F)(F)C1 776301411 LSKQMEKGNOMHIW-UHFFFAOYSA-N 249.673 2.514 30 20 BFED C=CCN(C)C(=S)Nc1cc(C)ccc1F 777471876 SACSGNLAJZZRDI-UHFFFAOYSA-N 238.331 2.949 30 20 BFED COC[C@H](C)C(C)=NNc1nc2ccccc2[nH]1 777877698 OGUJZSIYAZORPM-VIFPVBQESA-N 246.314 2.633 30 20 BFED C#CCCCCCC(=O)N[C@@H](C#N)C(C)(C)C 779972825 NAXBCHBJKUJXCY-LBPRGKRZSA-N 234.343 2.625 30 20 BFED C#CCCCCCC(=O)OCCC1CC1 780256678 KGSWRUJYHVLSON-UHFFFAOYSA-N 208.301 2.913 30 20 BFED CC[C@H](C#N)OC(=O)c1cc(C)ccc1C 781131443 HXPUVZOZRSNUGH-LLVKDONJSA-N 217.268 2.762 30 20 BFED C#CCN1[C@@H](C)c2ccc(OC)cc2C[C@H]1C 782097959 LWKFNPNQLFCWRE-NEPJUHHUSA-N 229.323 2.636 30 20 BFED C=C[C@H](C)NC(=O)CCCc1ccsc1 783054787 FEXUXFPSXMPOSO-JTQLQIEISA-N 223.341 2.762 30 20 BFED C[C@]1(C#N)CCCN(CCc2cccs2)C1 784444934 YOIZIADFCCOREE-CYBMUJFWSA-N 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30 20 BFED CC(C)[C@H]1CN(c2ccc(C#N)cc2F)CCO1 349902924 LDVBGJZJVRQYKE-CQSZACIVSA-N 248.301 2.559 30 20 BFED C=CCn1c(C2CC2)nnc1N1C[C@H](C)C[C@@H]1C 351119699 VDMJRIHZRHETSA-MNOVXSKESA-N 246.358 2.576 30 20 BFED C=CCN(C(=O)c1ccc(CC)nc1C)C1CC1 354750278 OKJUZVSZRIFYTO-UHFFFAOYSA-N 244.338 2.743 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@H](CCC)NC(C)C 357640120 NULSDRZBQVQYDS-OLZOCXBDSA-N 240.391 2.624 30 20 BFED C=C[C@H](C)NC(=O)N[C@@H](C)Cc1cccs1 362370818 NCRBEHLFAGHFRQ-UWVGGRQHSA-N 238.356 2.553 30 20 BFED C=C[C@@H](C)NC(=O)C[C@@H](OCC)C1=CCCC1 362589770 ACLVXSFHKVNNMI-DGCLKSJQSA-N 237.343 2.583 30 20 BFED C=CCCC(=O)N1CCC[C@@H]1c1cccnc1 377518621 HTWFROIJBFEHMQ-CYBMUJFWSA-N 230.311 2.711 30 20 BFED CC[C@@H](C)CSCCO[C@H](C)C#N 379364714 IIHUVJJVJJNHAR-NXEZZACHSA-N 201.335 2.694 30 20 BFED C=CC[C@H](CO)CN[C@@H](C)CCCC(C)C 381459948 JJGBFILIAXXAMY-KBPBESRZSA-N 227.392 2.975 30 20 BFED C#C[C@@H](N[C@H](C)COC)c1ccc(Cl)cc1 390675724 XKHGBHHFRUPZKB-ZWNOBZJWSA-N 237.730 2.639 30 20 BFED 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C[C@@H](C#N)CN(C)Cc1nccc2ccccc12 611260998 ZLLJOSVLXBXVFW-LBPRGKRZSA-N 239.322 2.826 30 20 BFED C=CCC(C)(C)C(=O)NC/C=C\c1cccnc1 615219809 MHKKJSUMPPKPIS-VURMDHGXSA-N 244.338 2.813 30 20 BFED C=CCCC(C)(C)NC(=O)[C@H](C)C1CC1 620858213 ACRQYLFYHIWQQL-SNVBAGLBSA-N 209.333 2.894 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@@H](C)Cc1ccccn1 654132931 PXCWTOIYNZAZRD-SWLSCSKDSA-N 246.354 2.731 30 20 BFED CC(=O)c1ccc(C#N)cc1N1CC[C@H]2C[C@@H]2C1 664523412 HYCGVUHFGDUQLQ-QWHCGFSZSA-N 240.306 2.607 30 20 BFED C=C[C@@](C)(O)C(=O)Nc1ccc(C)c(Cl)c1 665089847 LTOTUTWQJIZNCJ-GFCCVEGCSA-N 239.702 2.524 30 20 BFED CCC[C@@H](NCC#CCOC)c1ccccc1 678730143 QPIABTBQXVSYSD-OAHLLOKOSA-N 231.339 2.767 30 20 BFED CC[C@@H]1CN(c2ccc(C#N)cc2C)C[C@@H](C)O1 689120091 ZFHMLCUEZYEBNM-TZMCWYRMSA-N 244.338 2.870 30 20 BFED N#Cc1ccc(NCC2(C#N)CC2)c(Cl)c1 691557635 QPZNNRJDKAGHQO-UHFFFAOYSA-N 231.686 2.927 30 20 BFED Cc1ccc(C#N)c(NCCc2ccoc2)n1 692770158 FRGFTBVHWTVMBU-UHFFFAOYSA-N 227.267 2.509 30 20 BFED C#CC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 692880090 KPVAOIXXTZHIHK-CYBMUJFWSA-N 235.714 2.787 30 20 BFED C#C[C@](C)(CC)NC(=O)/C=C/c1cccc(F)c1 700627707 JEISOGZHINHQMN-BOLDSZDNSA-N 245.297 2.757 30 20 BFED C=CCNC(=S)N[C@H]1CCC[C@@H]1CCCC 727784785 KIBKEXCHZJKYNH-RYUDHWBXSA-N 240.416 2.995 30 20 BFED CC[C@H]1CCCC(=NNC(=S)NC2CC2)C1 734978099 SJCOXQIZWRUOPH-VIFPVBQESA-N 239.388 2.569 30 20 BFED CCCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 735791806 YCQZMZANICJYSA-JTQLQIEISA-N 241.294 2.848 30 20 BFED C=CCCOC(=O)CSc1ccccc1 740199437 PHWDVAVDLUTUFF-UHFFFAOYSA-N 222.309 2.898 30 20 BFED C#CCCCNC(=O)C1(c2cccc(C)c2)CC1 742785685 GZKSDAKDAGRRNR-UHFFFAOYSA-N 241.334 2.556 30 20 BFED C/C(=C\C(=O)O[C@@H](C)C#N)c1ccc(F)cc1 743072343 SUBQLVYTDYLVEE-PCYYEKQGSA-N 233.242 2.684 30 20 BFED Cc1ccoc1C=NNc1ccc(C(=O)O)cc1 743418710 HNUKHHHNZMYIPH-UHFFFAOYSA-N 244.250 2.732 30 20 BFED C#CCN(CC)CCSc1ccccc1F 749154623 FAZSYQUDGBWKBC-UHFFFAOYSA-N 237.343 2.873 30 20 BFED COc1ccc(NN=C2CCn3cccc32)cc1 750925847 TYYKYKSYSINTNV-UHFFFAOYSA-N 241.294 2.717 30 20 BFED CCC(=CC(=O)N(CC)C[C@@H](C)C#N)CC 759151090 BXKVATSLPIWHAP-NSHDSACASA-N 222.332 2.741 30 20 BFED CC(=NNC1CCCC1)c1cncc(C)c1 767378696 UQTGCQAJEGRMGA-UHFFFAOYSA-N 217.316 2.646 30 20 BFED CC(=NNc1ccc(F)cn1)c1ccc(F)cn1 770607591 ZROXGQNJNXLIOM-UHFFFAOYSA-N 248.236 2.591 30 20 BFED C=CCCCC(=O)OCc1cnoc1C1CC1 773530262 GZQXMZWISGCQSU-UHFFFAOYSA-N 235.283 2.952 30 20 BFED CCCc1cccc(C=NN[C@@H](C)COC)c1 774400469 VFRHTTJUYPQQGM-LBPRGKRZSA-N 234.343 2.598 30 20 BFED C=C[C@@H](CC)OC(=O)c1ccc2nc(O)oc2c1 776105190 UDVBRRMYJQQZOU-VIFPVBQESA-N 247.250 2.655 30 20 BFED C=CCCC[C@H](C)NC(=O)c1cc(O)cs1 776251617 OVGJWKMAIAUXQY-VIFPVBQESA-N 239.340 2.928 30 20 BFED CC(=NNc1cc(C)ccn1)[C@@H]1CCCOC1 779775120 VTEVDTFTHFHDMA-GFCCVEGCSA-N 233.315 2.604 30 20 BFED C=C[C@](C)(CCOC)C(=O)OC[Si](C)(C)C 782439377 MDLHGRYPWIYDGP-GFCCVEGCSA-N 244.407 2.636 30 20 BFED CCCc1ccc(C(C)=NN[C@H]2CCOC2)cc1 788455172 DQMLUBMLCXRACV-HNNXBMFYSA-N 246.354 2.742 30 20 BFED C#C[C@@H](CCC)NC(=O)N[C@@H]1CC12CCCCC2 791035612 OGVFFJXUIRQTAD-QWHCGFSZSA-N 248.370 2.810 30 20 BFED C[C@@H](NN=Cc1cccc(C#N)c1)C(C)(C)C 793114493 HDEFHROXEQVUJE-LLVKDONJSA-N 229.327 2.916 30 20 BFED CCCCCCCN(C)[C@H]1CC(C)(C)OC1=O 795684546 RILGPLBZTNBBLB-LBPRGKRZSA-N 241.375 2.983 30 20 BFED CC[C@](C)(C#N)C(=O)O[C@@H]1CC[C@H](C)C1 797231668 GFXKYUWIKSKBCE-HOSYDEDBSA-N 209.289 2.658 30 20 BFED C=CCOCCOC(=O)[C@@H]1CCCC1(C)C 797294851 KGIUTGTUAOPPKR-NSHDSACASA-N 226.316 2.559 30 20 BFED Cc1cc(CNCC2(CC#N)CC2)cc(Cl)n1 797604613 ZIIBPDPYQHCEPP-UHFFFAOYSA-N 249.745 2.827 30 20 BFED N#CCOC(=O)c1ccc(Cl)cc1Cl 798179150 HVZBVSRHIRIBSU-UHFFFAOYSA-N 230.050 2.674 30 20 BFED CCCCCCCS(=O)(=O)NCC1(C)CC1 799781776 SWQBHSJIKDLQLX-UHFFFAOYSA-N 247.404 2.676 30 20 BFED C[C@@H]1C(=NN[C@H]2CCSC2)CCC[C@H]1C 808002952 REXMNQZECPPDJU-VWYCJHECSA-N 226.389 2.894 30 20 BFED C#Cc1ccc(CN[C@@H](CCCC)COC)cc1 809622355 ZCNUKXUKMHIPEU-INIZCTEOSA-N 245.366 2.963 30 20 BFED C#Cc1ccccc1CC(=O)O[C@H](C)CC 810547845 JNERLLOOTBSQHB-LLVKDONJSA-N 216.280 2.552 30 20 BFED CCC(=NNC[C@@H](O)CC)c1ccc(CC)cc1 811656098 DLDLJNQDQGNXNN-AWEZNQCLSA-N 248.370 2.724 30 20 BFED C#Cc1ccc(C(=O)N(C)[C@@H](C)CCCC)nc1 811959043 JCFYLSRCUINGBP-LBPRGKRZSA-N 244.338 2.714 30 20 BFED Cc1cccc(C)c1CNC(=O)CCCC#N 812535185 XGWYHGGTWQBUBV-UHFFFAOYSA-N 230.311 2.614 30 20 BFED CSCc1cnc(C=NNCC(C)C)s1 814892040 HHGFFAPWSRPFGE-UHFFFAOYSA-N 243.401 2.586 30 20 BFED CC(C)CNN=C1CCCC[C@@H]1CCCO 814892166 MVFSQCNZZGMNGB-GFCCVEGCSA-N 226.364 2.551 30 20 BFED N#C[C@H]1CCCC(=NNc2ccnc(F)c2)C1 814902678 SQEZVTADGMVDDG-VIFPVBQESA-N 232.262 2.702 30 20 BFED CC[C@H](C)NN=C1CCCC[C@H]1CCCO 814912953 DKEQBQRNNMWBRY-RYUDHWBXSA-N 226.364 2.693 30 20 BFED C/C=C/C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 819737143 SXCMWDKUMHUMOZ-MALLOTDXSA-N 228.295 2.654 30 20 BFED N#CCSCC(=O)Oc1cccc(C2CC2)c1 822174846 YTTRMKHVOWOKFI-UHFFFAOYSA-N 247.319 2.726 30 20 BFED C#Cc1cnc(NC2CCCCCCC2)nc1 827270325 WSQVQRZFAUTVNA-UHFFFAOYSA-N 229.327 2.983 30 20 BFED C#CCCN(CCOC)C[C@@H](C)C(C)(C)C 827827316 RKUDQXUCQJLHPF-CYBMUJFWSA-N 225.376 2.640 30 20 BFED N#Cc1ccc(F)c(C(=O)N[C@@H]2CC=CCC2)c1 828224371 GCJBZGGBAIIXBU-LLVKDONJSA-N 244.269 2.536 30 20 BFED C=CCCC[C@H](C)NC(=O)C#Cc1cccs1 828564234 NWQZSTMYIXAJCP-LBPRGKRZSA-N 247.363 2.961 30 20 BFED C[C@H]1CC(=NNc2ccc(C#N)cc2)[C@@H](C)O1 834941359 PDCDJZCKJSHEAT-VHSXEESVSA-N 229.283 2.523 30 20 BFED C[C@@H]1O[C@H](C)CC1=NNc1cc(F)cc(F)c1 834945164 XSPFSOKDOICGSO-SFYZADRCSA-N 240.253 2.930 30 20 BFED CCCC(=NOCCOC)C1CCCC1 834964091 XIWMIJDZHNSCNA-UHFFFAOYSA-N 213.321 2.996 30 20 BFED C=CCCOC(=O)[C@H](C)OCCc1ccccc1 835089910 AEEAIJXPEHPRPM-ZDUSSCGKSA-N 248.322 2.754 30 20 BFED C=CCCC[C@@H](C)NC(=O)C#CC(C)(C)C 837516788 ZONQMCIIBJBZKZ-GFCCVEGCSA-N 221.344 2.897 30 20 BFED C=CCCCCn1ccc(=O)cc1Cl 842032107 STDBQVPLOWGZKF-UHFFFAOYSA-N 211.692 2.858 30 20 BFED CCCON=Cc1c(C)cc(N)cc1C 842551410 AGNLHIFIGPKXJC-UHFFFAOYSA-N 206.289 2.646 30 20 BFED Cc1cc(SC[C@@H]2CCOCO2)ccc1C#N 842633140 QZIBRDHNOJSEDH-LBPRGKRZSA-N 249.335 2.722 30 20 BFED C#C[C@H](NC(=O)C(C)(C)C)c1ccccc1 843636663 NTYBCBTZJNUVIK-LBPRGKRZSA-N 215.296 2.523 30 20 BFED C=C(C)CON=Cc1c[nH]c(C(F)(F)F)c1 844619804 LYGQAXYYXGQDPD-UHFFFAOYSA-N 232.205 2.960 30 20 BFED C=C[C@@H](C)ON=C(C)CCCCN(C)C 844622060 TUTGAEUQZQOYGF-GFCCVEGCSA-N 212.337 2.685 30 20 BFED C=C[C@H](C)ON=C(C)c1cnc(C)s1 844622071 TZZOYKVZAIIIPZ-ZETCQYMHSA-N 210.302 2.767 30 20 BFED C[C@@H](C#N)COC(=O)[C@H]1CC[C@H](C)CC1 845494427 RDVOBNVRNPZXEP-DCAQKATOSA-N 209.289 2.516 30 20 BFED C/N=C(/NC[C@H]1CCCC(C)(C)C1)NC1CC1 849038313 NGRRCNOAKAKGDJ-NSHDSACASA-N 237.391 2.530 30 20 BFED CCOc1ccc(/C=N/[C@@H]2C=CCC2)c(O)c1 849170189 MLTIMYGSQMICBD-JXCQQFQQSA-N 231.295 2.928 30 20 BFED CCCCCCCCn1nc(C)oc1=O 849985205 WTKGHYSLXQREED-UHFFFAOYSA-N 212.293 2.505 30 20 BFED N#Cc1ccc(CCN[C@H]2CC[C@H]2C2CC2)cc1 850487503 HIVNWAWOYKOJPV-HOTGVXAUSA-N 240.350 2.879 30 20 BFED C=CC(C)(C)CCOC(=O)[C@H]1CCCOC1 851299257 DOXOKOIMSFXGSJ-NSHDSACASA-N 226.316 2.559 30 20 BFED C=CC(C)(C)CCOC(=O)C1(CCOC)CC1 851299586 RFVGYCVIHKGIIN-UHFFFAOYSA-N 240.343 2.949 30 20 BFED C#CCOCCSCC1CCCCC1 853017727 OCSAZZCOXYDNLI-UHFFFAOYSA-N 212.358 2.950 30 20 BFED COc1cccc(O)c1C=NN1CCCC[C@@H]1C 853379143 DOTXMZRCUAHKAB-NSHDSACASA-N 248.326 2.609 30 20 BFED C=CCC1(NC(=O)/C=C(\C)COC)CCCC1 855928688 VVXKZJKGAMAWQG-ZRDIBKRKSA-N 237.343 2.584 30 20 BFED C#CC[C@H](CCOC)NCc1cc(C)ccc1C 858332126 OJJHQVKUFNWPAC-MRXNPFEDSA-N 245.366 2.821 30 20 BFED COc1ccnc(C(C)=NN[C@@H](C)C(C)(C)C)c1 863114171 CKPUEJGCZWBHHC-NSHDSACASA-N 249.358 2.838 30 20 BFED CCCCCCCN[C@H]1CCNCC[C@H]1C 863541239 YWXLAMOWIGFFFU-KGLIPLIRSA-N 226.408 2.935 30 20 BFED CC1(C)CC(=NNc2ccc(F)cn2)CCO1 872350401 RAXCEOVMIOXOGK-UHFFFAOYSA-N 237.278 2.578 30 20 BFED Cc1ccc2c(C=NN3CCC3)c[nH]c2c1 872395880 ICOVCAOVNLIPIX-UHFFFAOYSA-N 213.284 2.516 30 20 BFED CC(C)(C)C(=O)Nc1cc(C#N)c(F)cc1F 876344289 VXBRVUFOLYNRAH-UHFFFAOYSA-N 238.237 2.821 30 20 BFED C[C@@H](CCC#N)CN[C@@H](C)c1ccc[nH]1 877125226 ZXQKQZTZVOVDRG-QWRGUYRKSA-N 205.305 2.605 30 20 BFED C=C/C=C/CCN1CCC[C@@](C)(C#N)C1 878405560 HJLRHZFMYZVVGW-IHVVCDCBSA-N 204.317 2.744 30 20 BFED C=CC[C@H](C)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1 878951723 MSVSBKRAIBIYQY-AEGPPILISA-N 247.386 2.686 30 20 BFED Cc1ccc(N2CC(C)(C)C[C@@H]2C)c(C#N)n1 882461991 ORUAQUHNSOGKEB-NSHDSACASA-N 229.327 2.887 30 20 BFED C[C@H]1COCC1=NNc1cccc2cnccc12 884427444 WKLUQEGBPULPLP-JTQLQIEISA-N 241.294 2.669 30 20 BFED CCCCN(O)C(=O)CSc1ccccc1 904206840 KREFEDHPWKBFBN-UHFFFAOYSA-N 239.340 2.797 30 20 BFED Cc1ccccc1CC(=O)OCCCCC#N 914618086 LHYFATJTBOWFEK-UHFFFAOYSA-N 231.295 2.775 30 20 BFED CCCCCCCC(C)=NNC(=S)NC 916581661 KCVIWYXKLZURGY-UHFFFAOYSA-N 229.393 2.817 30 20 BFED Cc1cccc(C)c1OCC(=O)OCCCC#N 916599321 MUZKWJRXGGJZDI-UHFFFAOYSA-N 247.294 2.529 30 20 BFED C=CCNC(=S)NCc1ccc(C(C)C)cc1 920076931 ZGULWZCQXHLQQN-UHFFFAOYSA-N 248.395 2.960 30 20 BFED C/C(=C/C(C)(C)C)C(=O)N1CCC[C@@H](C#N)C1 928218936 KUPOCEXLEXOQMQ-KGTBHZDVSA-N 234.343 2.741 30 20 BFED CC(C)[C@H](C)C(=O)OCc1ccc(C#N)s1 1261559127 BBZAKOSGXOUMBE-VIFPVBQESA-N 237.324 2.955 30 20 BFED C#CCOCCN(C)C[C@H](CC)CCCC 1320304374 YPISOMMSVBSLLV-CQSZACIVSA-N 225.376 2.784 30 20 BFED Cc1coc(C(=O)N[C@@H](C#N)CC(C)C)c1C 1323546874 XGLIRPAVLMCGEX-LLVKDONJSA-N 234.299 2.565 30 20 BFED C=C[C@@H](C)ON=Cc1cccn1C1CC1 1326447447 WRMYXLDWBSNDPM-SNVBAGLBSA-N 204.273 2.748 30 20 BFED C#Cc1cccnc1N[C@@H]1CCC[C@@H](F)C1 1327674364 NAQGFPHTRUPHON-VXGBXAGGSA-N 218.275 2.756 30 20 BFED C=CC(C)(C)CNC(=O)C=C1CCCC1 1328077105 CSTSYBFHPRRNRY-UHFFFAOYSA-N 207.317 2.815 30 20 BFED C=C[C@H](CC)CC(=O)NCCOC1CCCC1 1333037816 PJTRPBRKUBBBLY-GFCCVEGCSA-N 239.359 2.664 30 20 BFED C#C[C@H](CCC)NC[C@@H](O)[C@H](C)c1ccccc1 1335476970 LHECIMDWGBSZEK-FVQBIDKESA-N 245.366 2.543 30 20 BFED C#Cc1ccc(N[C@@H](C)CCSC)nc1 1337870057 VNNLIYCIBSHURX-JTQLQIEISA-N 220.341 2.616 30 20 BFED CC#CCCN(CCC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 1337987835 LEYWISZVOLRMJJ-RBSFLKMASA-N 249.398 2.925 30 20 BFED CC[C@H](C#N)N(CC)C(=O)C1=C(C)CCC1 1339197665 SSYZTYNTEPPLOO-LLVKDONJSA-N 220.316 2.637 30 20 BFED N#C[C@@H]1CC[C@H](OC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)C1 1344048902 GRGQJGXBGCRRRV-BNDIWNMDSA-N 233.311 2.658 30 20 BFED N#C[C@@H](C(=O)CC1CCCC1)c1cccc(F)n1 1344588375 ZQPBRJCARYRVAU-LLVKDONJSA-N 246.285 2.977 30 20 BFED N#CCN(Cc1cccc2c1NCCC2)C1CC1 1353581083 HDHTUPNBKJJTJA-UHFFFAOYSA-N 241.338 2.533 30 20 BFED C=C(CC)C(=O)NC[C@H](C)Oc1ccccc1 1519453815 DVROQOLOBUUJCW-LBPRGKRZSA-N 233.311 2.536 30 20 BFED C=CCCCCCN1C[C@@H]2CCC[C@]2(N)C1 1574907726 ZLPDGLCYWQFQGX-KBPBESRZSA-N 222.376 2.546 30 20 BFED O=C(O)c1coc(C=NNc2cccc(F)c2)c1 1602553823 MBSDTEDDRLFFSH-UHFFFAOYSA-N 248.213 2.563 30 20 BFED Cc1cc(NCc2cccc(C#N)c2)ncc1C#N 1642053164 XKOOKHUQLAYPRX-UHFFFAOYSA-N 248.289 2.745 30 20 BFED C=C(C)CCN1C[C@H](C(=O)O)C2(CCCC2)C1 1776139292 CWURRUIZERVSOY-GFCCVEGCSA-N 237.343 2.529 30 20 BFED C=CC[C@]1(C(=O)O)CCCN(CCC(=C)C)C1 1776153126 LQETZDFGDSPQQF-AWEZNQCLSA-N 237.343 2.696 30 20 BFED N#Cc1ccc(Oc2cccc(F)c2)nc1 19433270 IVTGYHFMJPYOBQ-UHFFFAOYSA-N 214.199 2.885 30 20 BFED C=CCNc1ncnc2sc(C)cc12 28162765 ZBYXZUDUIMUMPP-UHFFFAOYSA-N 205.286 2.598 30 20 BFED CC(C)CN(c1ccc(C#N)cn1)C1CC1 42250323 PPOQZMDBFQISCS-UHFFFAOYSA-N 215.300 2.578 30 20 BFED C[C@@H]1C[C@@H](C)CN(C(=O)C2(C#N)CCCCC2)C1 44385182 SDUOMRVHAYDGTR-CHWSQXEVSA-N 248.370 2.965 30 20 BFED CCC(C#N)(CC)C(=O)N1C[C@H](C)C[C@@H](C)C1 44765051 MKRWMZZRKJXQCS-VXGBXAGGSA-N 236.359 2.821 30 20 BFED CO[C@@H]1CCC[C@H]1Nc1ccc(C#N)cc1F 50374346 CRGZLJODQOJNCI-CHWSQXEVSA-N 234.274 2.677 30 20 BFED C=C(C)CN(CC)C(=O)c1cccc(F)c1 57157829 CFQYFTOYJVCFGE-UHFFFAOYSA-N 221.275 2.864 30 20 BFED Cc1ccc2cccc(NC(=O)[C@H](C)C#N)c2n1 61875399 DDEIFHWSOJNRJR-SECBINFHSA-N 239.278 2.641 30 20 BFED C[C@H]1CCCC[C@H]1NCc1ccnc(C#N)c1 68751624 SQABILBRNKSFLM-SMDDNHRTSA-N 229.327 2.622 30 20 BFED CC(C)(C)CCC(=O)Nc1ccc(C#N)cn1 78109812 MPEJGXMKFXVVST-UHFFFAOYSA-N 231.299 2.718 30 20 BFED Cc1cscc1C(=O)N[C@@H](C#N)C(C)(C)C 85439928 BUKLALPNTBDIJY-JTQLQIEISA-N 236.340 2.725 30 20 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246.306 2.932 30 20 BFED CC#CCN(C)Cc1cccc(OC(C)C)c1 120571883 HNUKDWCKWIKJMM-UHFFFAOYSA-N 231.339 2.929 30 20 BFED C=CC[C@H](C)NC(=O)N[C@H]1CCC[C@@H]1CC 120979350 RUWBJFPNUVGQRC-SRVKXCTJSA-N 224.348 2.829 30 20 BFED C=CCCO[C@H](C)C(=O)N(C)Cc1ccccc1 125000108 QMZVODNEZYHSMQ-CYBMUJFWSA-N 247.338 2.626 30 20 BFED C=CCC[C@@H](NC[C@H](O)CC(C)C)C1CC1 125310975 IKODKJGITXRCIP-ZIAGYGMSSA-N 225.376 2.728 30 20 BFED Cc1nc(C)c([C@H](C)NCC(C)(C)C#N)s1 129171030 XNJYEHNKEIQCRQ-QMMMGPOBSA-N 237.372 2.960 30 20 BFED CCN(CC#N)C(=O)CC[C@H](C)c1ccccc1 138378586 WVCASNYXPKWLOH-ZDUSSCGKSA-N 244.338 2.942 30 20 BFED CC#CCCOc1ccc([C@@H](O)CC)cc1 154878004 MQSBZHLUPLJWBY-AWEZNQCLSA-N 218.296 2.922 30 20 BFED C=C(C)CNC(=O)N(C)Cc1cccc(F)c1 156810308 XBLCVVPTJJIURT-UHFFFAOYSA-N 236.290 2.543 30 20 BFED C#CCOc1ccccc1CN(CC)CC 156930184 QCYIINPULJCOPO-UHFFFAOYSA-N 217.312 2.540 30 20 BFED CC[C@@H](CSC)Nc1cc(C#N)cc(C)n1 157600665 GWBRLMKYYIQQKG-NSHDSACASA-N 235.356 2.815 30 20 BFED C[C@H](C(=O)Oc1ccc(C#N)cc1F)C1CC1 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HATJBXTWMAETEA-CYBMUJFWSA-N 225.376 2.947 30 20 BFED C=CCC1(CNC(=O)NCC2CC2)CCCC1 454193255 CULWIJSEOSXRSO-UHFFFAOYSA-N 236.359 2.832 30 20 BFED C=C(CC)CNC(=O)Nc1ccc(Cl)cn1 454348201 NCJCEIGZUOCFFF-UHFFFAOYSA-N 239.706 2.823 30 20 BFED C=C(C)CCNC(=O)NC1CCCCCC1 455319246 ZQZOZLZZMZQZSH-UHFFFAOYSA-N 224.348 2.975 30 20 BFED C=CCCC(=O)N1C[C@H](C2CC2)[C@H]1C1CC1 456283089 KJZTWOUZZUVUCX-TZMCWYRMSA-N 219.328 2.600 30 20 BFED CC#CCCNC(=O)N[C@H]1CCCC[C@H]1CC 482838266 FLPPDONISLISHC-OLZOCXBDSA-N 236.359 2.668 30 20 BFED C=C[C@H]1CCCCN1C(=O)[C@H](CC)SC 488814303 JYLUTOAUDVPIPY-QWRGUYRKSA-N 227.373 2.695 30 20 BFED C#C[C@@H](CCC)NC(=O)N1CC[C@@](C)(CC)C1 491473738 HGJPAFMZUQKIKA-GXTWGEPZSA-N 236.359 2.620 30 20 BFED C#C[C@H](CCC)NC(=O)N(CC)CCCC 491801699 DIZVNOFODHTGAF-GFCCVEGCSA-N 224.348 2.620 30 20 BFED CC(C)ON=C[C@H](C)CNC(=O)OC(C)(C)C 496579506 BWYAAYABFCJSLZ-SNVBAGLBSA-N 244.335 2.558 30 20 BFED C=CCC(C)(C)C(=O)NCCC(O)(CC)CC 505757335 RDKGNWUMYWDTLC-UHFFFAOYSA-N 241.375 2.646 30 20 BFED Cc1cocc1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 528594420 RCGCHTTXUAUDDO-IINYFYTJSA-N 246.310 2.790 30 20 BFED CC[C@]1(C#N)COc2c(C)ccc(C)c2O1 536954064 JYRKGYFTAZCESV-ZDUSSCGKSA-N 217.268 2.747 30 20 BFED C=CC[C@H](C)NC(=O)c1ccc(C)cc1OC 548040133 POIFZMRYXCZYMO-NSHDSACASA-N 233.311 2.698 30 20 BFED C=CCn1cccc1C(=O)NC(C)(C)C1CC1 559038191 MPSIOEMLPFVVID-UHFFFAOYSA-N 232.327 2.593 30 20 BFED N#CCC[C@H](C#N)CNCC1=CCCCC1 563616946 UEGJSGKXECESLF-CYBMUJFWSA-N 217.316 2.520 30 20 BFED C=C[C@](C)(CC)C(=O)NCc1ccc(C)cn1 567616002 PILKZLNKBNKZOD-CQSZACIVSA-N 232.327 2.609 30 20 BFED CC#CCN(C)C(=O)C(C)(C)C1CCCC1 570121766 NVLBFPWAUSRXBI-UHFFFAOYSA-N 221.344 2.685 30 20 BFED C=CCCCCN1[C@H](C)CN(CC)C[C@H]1C 570680834 ODSPCBGCDGQALB-ZIAGYGMSSA-N 224.392 2.757 30 20 BFED C=C(C)CCNC[C@@H](O)[C@@H](C)c1ccccc1 572236591 OZOJCVCEVIEHMM-DZGCQCFKSA-N 233.355 2.707 30 20 BFED C=CC1CCN(Cc2cc(C(=O)O)oc2C)CC1 576473466 ZIJLTNOMSZACFN-UHFFFAOYSA-N 249.310 2.684 30 20 BFED N#CC1(CN=c2[nH]oc3ccc(Cl)cc23)CC1 580807335 SJCDIRIXENCFSM-UHFFFAOYSA-N 247.685 2.619 30 20 BFED C[C@H](CCc1ccco1)NC[C@H](C#N)CCC#N 591723066 GYIAHNMJJKLZFY-OLZOCXBDSA-N 245.326 2.634 30 20 BFED CC(C)=CCCn1cc2c(c(C#N)c1=O)CCC2 594900750 ZTXGQKJRNFGMQS-UHFFFAOYSA-N 242.322 2.565 30 20 BFED C=CCN(CCc1ccc(C#N)cc1)C1CC1 595413320 YLAUTFUWXAYULU-UHFFFAOYSA-N 226.323 2.751 30 20 BFED COCc1cccc(CN(C2CC2)[C@@H](C)C#N)c1 595713765 WCZWYOSAMYWPHL-LBPRGKRZSA-N 244.338 2.709 30 20 BFED CCN(CCOc1cccc(C)c1)[C@@H](C)C#N 595813012 QXDIGTLPFAOODD-ZDUSSCGKSA-N 232.327 2.608 30 20 BFED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1cc(C#N)cnn1 596138621 ZOMMJADBIAQGLC-WXHSDQCUSA-N 242.326 2.506 30 20 BFED N#CC[C@H]1CCCN(C(=O)[C@H]2CC23CCCC3)C1 597910337 ZFARSKFRVVNIJD-CHWSQXEVSA-N 246.354 2.719 30 20 BFED C=CCCSCCNC(=O)CC(C)(C)C 597970908 OWHDYUUWCXXBMI-UHFFFAOYSA-N 229.389 2.848 30 20 BFED C=CCCNC(=O)c1ccc(C(C)(C)C#N)cc1 597972643 UNFXQBXWPAYSMI-UHFFFAOYSA-N 242.322 2.794 30 20 BFED CCN(C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)[C@@H](C)C#N 598348612 BMYQRMKIOLAFNB-AVGNSLFASA-N 248.370 2.985 30 20 BFED N#CC[C@H]1CCCN(Cc2cnc(C3CC3)o2)C1 600178952 SCLXLEFFHKXRCA-LLVKDONJSA-N 245.326 2.678 30 20 BFED CC[C@@H](C)Cc1noc(-c2cccc(C#N)n2)n1 601399707 SIJOHAVIVYZBLX-SECBINFHSA-N 242.282 2.592 30 20 BFED C[C@H](CCC#N)CN(CCO)C1CCCCC1 602424248 HSXAHHRXAOOYAW-CYBMUJFWSA-N 238.375 2.553 30 20 BFED C[C@@H]1CCCN(Cc2cccc(C#N)n2)[C@@H]1C 602455552 XBMNEHANANLEEJ-VXGBXAGGSA-N 229.327 2.574 30 20 BFED CC(C)C(C)(C)C(=O)N1CCC[C@](C)(C#N)C1 615273223 SOROGZKNDISZFJ-CQSZACIVSA-N 236.359 2.821 30 20 BFED C=CCN(C(=O)CC[C@@H](C)CC)[C@H](C)COC 617583787 PCLBOBJWPMOQQJ-QWHCGFSZSA-N 241.375 2.862 30 20 BFED C=CCCNC(=O)c1sccc1C1CC1 617614607 HCLLRCHHHTUGSF-UHFFFAOYSA-N 221.325 2.931 30 20 BFED C=CCCNC(=O)C(C)(C)C1CCCC1 617617051 SXBOFFKDSBUQEJ-UHFFFAOYSA-N 209.333 2.895 30 20 BFED C=CCCC(=O)Nc1nc(C)ccc1CC 622140393 UTUJGIPUSJBCNQ-UHFFFAOYSA-N 218.300 2.857 30 20 BFED C=C[C@H](CC(=O)N1CC[C@H]1C)c1ccccc1 641244395 PVQBIBADVVUFRG-CHWSQXEVSA-N 229.323 2.967 30 20 BFED C=C[C@H](C)NC(=O)[C@@]1(C)CCc2ccccc21 648320882 SVAYBKFGLHGVCI-NHYWBVRUSA-N 229.323 2.581 30 20 BFED C=C[C@@H](C(=O)O)N1CCC(C)(CC(C)C)CC1 659795833 GHCWTMVEXQTLIH-LBPRGKRZSA-N 239.359 2.774 30 20 BFED CCC#C[C@@H](C)N1CCC(N2CCCCC2)CC1 677048219 QDDAEEOIHMZDTD-OAHLLOKOSA-N 248.414 2.739 30 20 BFED COCC#CCN1CC[C@H](C)c2ccccc21 677819238 VGFSAXUSHCXJOS-ZDUSSCGKSA-N 229.323 2.650 30 20 BFED C#C[C@@H](NC(=O)C1CCC2(CC1)CC2)C(C)C 709954031 WDRUVCSUSDLPQW-CYBMUJFWSA-N 233.355 2.731 30 20 BFED Cc1cc(NN=C/C=C\c2ccccc2)ncn1 731935741 PAVLYKKRRXKQCU-PVQOWZLTSA-N 238.294 2.896 30 20 BFED FC(F)CNN=Cc1cc2ccccc2o1 740618383 WTFMUSIWIDGAGM-UHFFFAOYSA-N 224.210 2.621 30 20 BFED COCCON=C1CC(C)(C)Oc2ccccc21 751530053 VOYNKFMGZAUSMR-UHFFFAOYSA-N 249.310 2.615 30 20 BFED CCc1ncc(C=NNC2CCCC2)s1 752164374 FWISLQDGHPETSS-UHFFFAOYSA-N 223.345 2.572 30 20 BFED C1=CC[C@H](C=NO[C@@H]2CCCCO2)CC1 755814192 LONLRIPOZOTEQK-NWDGAFQWSA-N 209.289 2.872 30 20 BFED COc1ccc(NN=C2CCCN(C)CC2)cc1 758120920 WKEKWHSOCVSPLI-UHFFFAOYSA-N 247.342 2.579 30 20 BFED CC(C)Oc1ccccc1C=NNC1CC1 758132515 IPNJLYWYACTZIS-UHFFFAOYSA-N 218.300 2.560 30 20 BFED CC#CCCOC(=O)[C@@H]1CCO[C@@H](CCC)C1 760290900 YFOPRMZSWHGBSW-OLZOCXBDSA-N 238.327 2.538 30 20 BFED CC(Cc1ccccc1C)=NNc1cnn(C)c1 761865803 NPHVKKMMQCNOBP-UHFFFAOYSA-N 242.326 2.759 30 20 BFED CC#CCCOC(=O)C(F)=C1CCCC1 765497018 QVMLNPWBHULVOR-UHFFFAOYSA-N 210.248 2.741 30 20 BFED CC#CCCOC(=O)c1ccc(Cl)nc1C 765503920 VVGIUKYDKZSSAL-UHFFFAOYSA-N 237.686 2.614 30 20 BFED C#CCCCOC(=O)[C@H](CC)Nc1ccccc1 766899495 SQQFAZRJGIKIFP-AWEZNQCLSA-N 245.322 2.834 30 20 BFED CCOc1ccc(CN(C)[C@@H](C)CC#N)c(O)c1 769331333 HQVIPUVLVJYICU-NSHDSACASA-N 248.326 2.525 30 20 BFED C#C[C@@H](C)N(C)C(=O)c1ccc(C(C)C)cc1O 769656208 YEXCSSCQYSIATD-LLVKDONJSA-N 245.322 2.609 30 20 BFED Cc1ccc(F)c(C=NNCC(F)(F)F)c1 769821684 LDRWGQRWGOMRAZ-UHFFFAOYSA-N 234.196 2.620 30 20 BFED CC[C@@H](C#N)OC(=O)C(C)(C)c1ccc(O)cc1 773732227 QFPHUEOVKAYYLT-LBPRGKRZSA-N 247.294 2.515 30 20 BFED CC(Cc1ccsc1)=NOC1CCOCC1 774460419 WGYLUGNMXHQXCW-UHFFFAOYSA-N 239.340 2.862 30 20 BFED Cc1cc(C(=O)OCC2(C#N)CC2)c(C)s1 775839377 PACWMDHOXAVSRF-UHFFFAOYSA-N 235.308 2.826 30 20 BFED C#C[C@@H](C)NC(=O)N[C@@H](CC)C1CCCCC1 776478895 UWHCLWNUNNOPIM-YPMHNXCESA-N 236.359 2.666 30 20 BFED COC[C@H](C)NN=C(C)C1C(C)(C)C1(C)C 777894045 ZBFVWCSSUDRJQQ-VIFPVBQESA-N 226.364 2.669 30 20 BFED C#CCCCCCC(=O)NC[C@H](C)C1CC1 779869512 IYKSJUREPGMPCM-LBPRGKRZSA-N 221.344 2.732 30 20 BFED COc1ccc(C=NN[C@H]2CCCC2(C)C)cn1 782301668 QVNNGTHIHCJOEJ-LBPRGKRZSA-N 247.342 2.592 30 20 BFED C=C[C@](C)(CCOC)C(=O)OCC(=C)CC 782443615 OCRNXHXHPWNWCL-CYBMUJFWSA-N 226.316 2.725 30 20 BFED C=CC[C@H](CC)NC(=O)N(CC=C)C(C)C 798495298 WIGQLXYLKJKTPD-LBPRGKRZSA-N 224.348 2.947 30 20 BFED C=C[C@](C)(CC)C(=O)O[C@@H]1CC[C@@H](OC)C1 800035581 HYQYHNGEHPXRRO-NQBHXWOUSA-N 226.316 2.699 30 20 BFED CC#CC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 801186605 WIUJTIXHCXXHOU-QYMJWVLRSA-N 239.318 2.714 30 20 BFED CC(C)[C@H](NCCO[C@H](C)C#N)c1ccccc1 801911826 UHBKZEUSJMYPKX-HIFRSBDPSA-N 246.354 2.902 30 20 BFED CC(C)SCCOC(=O)C#Cc1ccccc1 803251163 IGIMYXBVYQFGCE-UHFFFAOYSA-N 248.347 2.723 30 20 BFED C#C[C@H](C)N(C)C/C=C\c1ccc(F)c(F)c1 809655193 DEQSOUSUNQWMPG-GZTOBOFZSA-N 235.277 2.932 30 20 BFED CCCCC[C@@H](C)NC(=O)c1cccc(C#N)n1 810018562 ZDVQPCIPDMKOQZ-LLVKDONJSA-N 245.326 2.652 30 20 BFED C=C[C@@H](C)NC(=O)c1ccc2c(c1)C(C)(C)CO2 810510140 RZVXRWYSUPUVHG-SNVBAGLBSA-N 245.322 2.661 30 20 BFED C#C[C@@H](NC(=O)c1ccc(C(C)C)cn1)C(C)C 811491813 QYZJRQVXCWWINT-CYBMUJFWSA-N 244.338 2.593 30 20 BFED CC(=NOC/C=C\Cl)c1cc(O)ccc1O 811668516 HJEBAPXTMGIMCO-WVDZYLRBSA-N 241.674 2.591 30 20 BFED Oc1cccc2c1CCC2=NOC/C=C\Cl 811669301 CYAZTGQGRHYHLC-SMNKRWMSSA-N 237.686 2.812 30 20 BFED Fc1ccc(NN=C[C@H]2CCCOC2)c(F)c1 814686454 HRPATJNUHJDTGS-SECBINFHSA-N 240.253 2.789 30 20 BFED C[C@H](C=NNC(=S)N(C)C)C1CCCCC1 814844852 RSJYBAGQTUSMQU-SNVBAGLBSA-N 241.404 2.625 30 20 BFED C=CCCC(CCC)=NN[C@@H]1CCCOC1 814908484 QBCUSYAPPTUCIG-CYBMUJFWSA-N 224.348 2.877 30 20 BFED C=CCNN=C1CC(c2cc(F)cc(F)c2)C1 814928100 WEWWBVLMQXEKFZ-UHFFFAOYSA-N 236.265 2.974 30 20 BFED C[C@@H]1C(=NOCCC2CC2)CC[C@@H]1CC(=O)O 814941048 AMGDIKUICVZPIM-GXSJLCMTSA-N 239.315 2.680 30 20 BFED CCC(=CC(=O)N(C)CC(C)(C)C#N)CC 817617814 GBXBOEJUBZAEDJ-UHFFFAOYSA-N 222.332 2.741 30 20 BFED C=CCCSc1cccc(-c2nn[nH]n2)c1 819739614 ATPDNAZXBUAMSB-UHFFFAOYSA-N 232.312 2.535 30 20 BFED C=C[C@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C 820768973 AQOWMSKOXYJFKT-VIFPVBQESA-N 248.282 2.516 30 20 BFED C=C[C@H](CC)CC(=O)NCCC[C@H]1CCOC1 821945011 FKWUATDKLQAUBP-OLZOCXBDSA-N 239.359 2.522 30 20 BFED C=CCOCC(=O)Oc1cccc(C2CC2)c1 822166714 JMXQRWSQIDGHDF-UHFFFAOYSA-N 232.279 2.672 30 20 BFED C=C[C@@H](C)ONC(=O)C/C=C\Cc1ccccc1 824232285 HXUGGOXFCVXNHP-MEJMFZKBSA-N 245.322 2.798 30 20 BFED C=CC[C@@H](C)[C@H](C)NCc1coc(CC)n1 825055977 CRQQHGQBODBLAO-MNOVXSKESA-N 222.332 2.927 30 20 BFED C#C[C@H](NC(=O)N[C@H](C)CC=C)c1ccccc1 826024903 OBKDTRMKGSJCJR-OCCSQVGLSA-N 242.322 2.625 30 20 BFED CCC[C@@H](CC(C)C)C(=O)N=C1C[C@H](C)ON1 827497045 RJYPJLWHPOGYKA-QWRGUYRKSA-N 240.347 2.687 30 20 BFED C=CCCC(=O)COC(=O)/C=C\C1CCCC1 830793172 MUSXYHJFUPHMBP-KTKRTIGZSA-N 236.311 2.811 30 20 BFED C[C@H]1CC(=NNc2c(F)cccc2F)[C@@H](C)O1 834959257 NUTDMBWKACPPRF-JGVFFNPUSA-N 240.253 2.930 30 20 BFED CC(Cc1cnccn1)=NNCC1(C)CCCC1 834981220 KCOMGWTXPLSJRH-UHFFFAOYSA-N 246.358 2.565 30 20 BFED Nc1ccc2c(n1)CCCC2=NOCCC1CC1 834982205 RKLJXPSIKSYNGQ-UHFFFAOYSA-N 245.326 2.521 30 20 BFED C=CCCOC(=O)[C@H]1CC12CCSCC2 835089925 ALQYMQZMFKIVNQ-SNVBAGLBSA-N 226.341 2.639 30 20 BFED C#CCCOC(=O)C1=CCC(C)(C)CC1 835089984 SDGWFTITXBRAJX-UHFFFAOYSA-N 206.285 2.689 30 20 BFED Cc1ccc(C(=O)OC[C@H](C)C#N)c2c1CCC2 835238465 NMVBZCOXGRMYDP-SNVBAGLBSA-N 243.306 2.800 30 20 BFED C[C@H]1CCC[C@@]1(C)C(=O)OCCCC#N 835265956 VFXSLPKAYLEEIP-CMPLNLGQSA-N 209.289 2.660 30 20 BFED CS[C@H](C)COC(=O)CCCCCC#N 835691457 MKKPCXVGRGIKDY-SNVBAGLBSA-N 229.345 2.755 30 20 BFED C=C(C)CCNC(=O)Nc1cccnc1Cl 836234173 LKCCUSPGOYMYQW-UHFFFAOYSA-N 239.706 2.823 30 20 BFED C/C=C(\CC)C(=O)NCc1ccc(C#N)c(F)c1 837109331 WMFGGTWKMXEMJX-QDEBKDIKSA-N 246.285 2.670 30 20 BFED Cc1cccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)n1 839042810 FZGHCQLDYQZJBG-RYUDHWBXSA-N 244.294 2.629 30 20 BFED N#C[C@@H]1CCC[C@@H](OC(=O)/C=C\c2ccc[nH]2)C1 839057987 ITPIPVAHYCMMAD-GGCNOCFKSA-N 244.294 2.653 30 20 BFED C[C@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)C(C)(F)F 839065094 ZAJMCYRPLXHNAY-KXUCPTDWSA-N 245.269 2.903 30 20 BFED CC(C)(CC#N)C/N=C\c1ccccc1O 840710414 JEXADRGQTHCUQJ-DHDCSXOGSA-N 216.284 2.751 30 20 BFED CO[C@H](C/N=C/c1ccccc1O)CC(C)C 841482703 UUQVHSMZDHWAMQ-NCPSJORJSA-N 235.327 2.872 30 20 BFED CCC(=NN[C@H](CO)c1ccccc1)[C@@H]1C[C@@H]1C 841635179 GRSKCQDKUPBUEU-NJZAAPMLSA-N 246.354 2.732 30 20 BFED C[C@@H](CO)N(C)N=C1CC[C@@H](c2ccccc2)C1 842537475 BPIKIFQCSKQMCB-GXTWGEPZSA-N 246.354 2.623 30 20 BFED C[C@H]1CC(C)(C)CCC1=NN(C)[C@@H](C)CO 842541215 QAQBQYUHRFNEFZ-QWRGUYRKSA-N 226.364 2.501 30 20 BFED CCCON=C(C)c1cccc(C#N)c1 842566220 WZTCXDMYGXPURX-UHFFFAOYSA-N 202.257 2.709 30 20 BFED C=CC[C@@H](C)[C@@H](C)NCCCCCCN 843341856 HVZVOWAZTZZEMN-CHWSQXEVSA-N 212.381 2.696 30 20 BFED C#CC1CCN(Cc2ccsc2)CC1 843428256 FDYVKZQIXBTKKJ-UHFFFAOYSA-N 205.326 2.593 30 20 BFED C=C(C)CONC(=O)N[C@@H](CC)C1CCCC1 845610491 KANVWAPZEPOTQH-LBPRGKRZSA-N 240.347 2.762 30 20 BFED C=C[C@H](C)ONC(=O)[C@@H](C)C(CC)CC 846549715 SCXDDDUMMLLXPP-UWVGGRQHSA-N 213.321 2.681 30 20 BFED C#C[C@H](CC)OC(=O)c1ccc(C(F)F)nc1 847683225 MNEGRNCRTCVGHL-SECBINFHSA-N 239.221 2.588 30 20 BFED N#CC1(CC(=O)OC2CCC2)CCCCC1 850868172 CUHSFNRHZQQGAW-UHFFFAOYSA-N 221.300 2.946 30 20 BFED N#CC[C@@H]1CCCN(Cc2ccnc(Cl)c2)C1 852320105 WNGATXSDPYXVPP-NSHDSACASA-N 249.745 2.861 30 20 BFED COc1cccc(C=NN2CCCC[C@@H]2C)c1O 853380834 ZEIGJDVMJLVUSK-NSHDSACASA-N 248.326 2.609 30 20 BFED CO[C@@H](C=NN1CCCC[C@H]1C)CC(C)C 853385103 PYDNWGSCKDHMQZ-CHWSQXEVSA-N 226.364 2.908 30 20 BFED Cc1ccc(F)cc1NN=C1CO[C@@H](C)C1 853393647 OHEBFQPSKNXGBO-VIFPVBQESA-N 222.263 2.711 30 20 BFED CCC[C@H](C=NNc1ccc(Cl)cn1)OC 853435698 SHNZIIYMXZKWSC-SNVBAGLBSA-N 241.722 2.948 30 20 BFED C=CCCC(C)(C)NC(=O)C#CC(C)C 856374887 JWHLQJCXFFUWPN-UHFFFAOYSA-N 207.317 2.507 30 20 BFED C#CCCOC(=O)N(C)[C@@H](CC)c1ccncc1 859000227 ZKIDLEFZHDSGCM-ZDUSSCGKSA-N 246.310 2.624 30 20 BFED C#CCCCCCC(=O)Nc1cncc(OC)c1 869757048 YPBIKZZYXVVDRU-UHFFFAOYSA-N 246.310 2.612 30 20 BFED C[C@@H](NCCCCC#N)c1cccc(O)c1F 872031453 KKFUHPPNZZOJJC-SNVBAGLBSA-N 236.290 2.876 30 20 BFED CCNc1ccccc1C=NOCC(F)F 872366326 CDSSWDDGLQZABK-UHFFFAOYSA-N 228.242 2.734 30 20 BFED C=CC(C)(C)CC(=O)OC[C@H]1CCC[C@H](O)C1 884649071 SAQPHKDAWLJTSP-RYUDHWBXSA-N 240.343 2.683 30 20 BFED COc1cccc(/C=N/C[C@H]2C=CCC2)c1O 887268044 APLYVAKWTLDTLO-KBVGCWLLSA-N 231.295 2.786 30 20 BFED C#Cc1ccc(NC(=O)C(C#N)(CC)CC)cc1 891313608 SPABCSYPJVVOHX-UHFFFAOYSA-N 240.306 2.936 30 20 BFED C#Cc1ccc(C(=O)N(CC)[C@H](C)CC)cc1 898579683 UBQPTHLRFYVOPS-GFCCVEGCSA-N 229.323 2.929 30 20 BFED C[C@H]1CC(C)(C)CC1=NN[C@@H]1CCCC[C@H]1O 901338123 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244.338 2.927 30 20 BFED COCCCON=Cc1ccc2c(c1)CCC2 1322039361 IYPHGTXKMIVHDY-UHFFFAOYSA-N 233.311 2.562 30 20 BFED CC/C=C/CNC(=O)CC#Cc1ccccc1 1327108936 RIOIZOXVABBJFF-XVNBXDOJSA-N 227.307 2.511 30 20 BFED C=C[C@H](COC)N[C@H](C)c1ccc(F)cc1C 1327835768 ZMHNOYIVUSKRRG-DGCLKSJQSA-N 237.318 2.986 30 20 BFED CC(C)=CCCOC(=O)c1cc(C#N)oc1C 1333227065 GFCPGSVMVABSFF-UHFFFAOYSA-N 233.267 2.973 30 20 BFED Cc1cc(C#N)nc(N2CCCC(C)(C)C2)c1 1333697894 SFFBOOXJRHHCAX-UHFFFAOYSA-N 229.327 2.888 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)/C=C/SC 1336761174 XVVHZBPGOZCCRF-RJCSOLBVSA-N 225.357 2.820 30 20 BFED CCc1cc(C#N)c(NC(=O)[C@@H](F)CC)s1 1338236894 BDSFRVIEWRCOIV-VIFPVBQESA-N 240.303 2.869 30 20 BFED C/C=C(/C)C(=O)O[C@H](C)CC#Cc1cccnc1 1344890300 GGYVVMDHIUCUBC-TWEXNZEWSA-N 243.306 2.721 30 20 BFED C=CCN(CC=C)C(=O)c1cnoc1C(C)C 1346072109 LTDGCPZUMMIURW-UHFFFAOYSA-N 234.299 2.612 30 20 BFED C=C(C)CCC(=O)N[C@@H](C)COc1ccccc1 1346739010 LPSDGUKHDOXVHU-ZDUSSCGKSA-N 247.338 2.926 30 20 BFED C#CC[C@H](Cc1ccccc1)OC(=O)[C@H]1C[C@H]1F 1518629675 KUTCIDISWOWAIO-HZSPNIEDSA-N 246.281 2.522 30 20 BFED C=CCCC[C@H](C)OC(=O)[C@H]1C[C@@H]1F 1525123948 YRXRPYJNKFSTQL-GUBZILKMSA-N 200.253 2.632 30 20 BFED C=CC[C@H](C)[C@@H](C)N[C@H]1CC[C@@H](CC(=O)O)C1 1588736200 DXFFQLWWKMPQFY-LOWDOPEQSA-N 239.359 2.820 30 20 BFED C=CC[C@@H](Sc1ccccc1OC)C(=O)O 1588757894 CLUHQWPRNSCTCT-LLVKDONJSA-N 238.308 2.817 30 20 BFED C=C[C@@H](C)N[C@H](C)c1ccc(C(=O)O)cc1C 1602813313 VQGBAMBVBLWJFB-GHMZBOCLSA-N 233.311 2.918 30 20 BFED N#Cc1cccc(C#N)c1NC/C=C/Cl 1651495092 LMTBIEZRSMJHJY-GORDUTHDSA-N 217.659 2.594 30 20 BFED CCOc1ccc2nc(S[C@@H](C)C#N)[nH]c2c1 13112428 VCGDOYIRMVBWGT-QMMMGPOBSA-N 247.323 2.966 30 20 BFED CO[C@@H]1CCCC[C@@H]1NCc1cccc(C#N)c1 37748940 ASKKIYBXBNDKGJ-LSDHHAIUSA-N 244.338 2.605 30 20 BFED CC[C@H]1CCCN1Cc1cccc(C#N)c1 37913743 SUFQRHGOUHGRLT-AWEZNQCLSA-N 214.312 2.933 30 20 BFED CN(Cc1ccoc1)Cc1cccc(C#N)c1 42371573 HLCRNVTYWSBMQD-UHFFFAOYSA-N 226.279 2.783 30 20 BFED CCN(CC(C)C)C(=O)C(C#N)(CC)CC 44765523 AXSPJMIUDZTVBN-UHFFFAOYSA-N 224.348 2.821 30 20 BFED C[C@@H](C#N)Nc1cccc2c1CCCC2 47826318 DYQILXRQGHDRMU-JTQLQIEISA-N 200.285 2.889 30 20 BFED C=CCN(CC=C)[C@H](CNCC(C)C)C(C)C 52376315 QSZQBEFGPXEBRE-OAHLLOKOSA-N 238.419 2.931 30 20 BFED C#CCNC(=O)N1CCC[C@H]1CC1CCCCC1 57775755 LZLIKFPJWCBIQA-AWEZNQCLSA-N 248.370 2.764 30 20 BFED C=C(Cl)CS(=O)(=O)c1ccc(C)c(C)c1 60929302 PVDHXVYIFUOSCU-UHFFFAOYSA-N 244.743 2.830 30 20 BFED N#Cc1cc(Oc2ccc(F)cc2)ccn1 61815328 HLILXGHMGNLVSH-UHFFFAOYSA-N 214.199 2.885 30 20 BFED CN(CC1CCCC1)c1ccc(C#N)cn1 63992542 HICKFLOPQYURSS-UHFFFAOYSA-N 215.300 2.580 30 20 BFED C#CCN(CCCC#N)Cc1ccc(F)cc1 65958326 AEUQBRYDJCIBRZ-UHFFFAOYSA-N 230.286 2.565 30 20 BFED CCc1ccsc1C(=O)N(C)C1(C#N)CCC1 66321435 NJMCSXBXXLMHHP-UHFFFAOYSA-N 248.351 2.829 30 20 BFED C#CCCN[C@@H](CC)c1ccc(F)cc1 69768495 IYVHWLPJWZNLRU-ZDUSSCGKSA-N 205.276 2.890 30 20 BFED N#CCCCCn1cc(C(F)(F)F)ccc1=O 70138160 FESUPCIQBHNKBM-UHFFFAOYSA-N 244.216 2.561 30 20 BFED C#CCCN1CCc2sccc2[C@@H]1C 70159617 MAJSYUWOJOKEIS-JTQLQIEISA-N 205.326 2.691 30 20 BFED C[C@H]1CN(Cc2ccc(C#N)cc2)C[C@@H](C)S1 70383220 YYTLGBYPSXSUNT-TXEJJXNPSA-N 246.379 2.884 30 20 BFED N#CCSCCCN1CCC[C@H]2CCC[C@H]21 74991564 YEUWZUMSIODFHG-CHWSQXEVSA-N 238.400 2.898 30 20 BFED N#CCCCN1CC[C@@H](Cc2ccc(F)cc2)C1 76806288 WUYUCZHUJCTAGI-AWEZNQCLSA-N 246.329 2.994 30 20 BFED C#CCOc1cccc(NC(=O)CCC=C)c1 78567838 QWLWXRXKFFOHQC-UHFFFAOYSA-N 229.279 2.603 30 20 BFED N#Cc1ccccc1Cn1ccnc1C1CC1 82739038 XVZYVOMQFMZFFL-UHFFFAOYSA-N 223.279 2.680 30 20 BFED Cc1cc(NC(=O)C2(C#N)CCC2)ccc1F 83795369 NMYPUGKHQQKMTA-UHFFFAOYSA-N 232.258 2.767 30 20 BFED N#Cc1ccc2[nH]cc(Br)c2c1 84326624 DLRFWHURXGFVTA-UHFFFAOYSA-N 221.057 2.802 30 20 BFED in-vitro C[C@@H](CC(=O)O)SCc1ccc(C#N)cc1 85157317 DVCWPAMQLOBYLQ-VIFPVBQESA-N 235.308 2.655 30 20 BFED C=CCSCC(=O)c1cc(C)[nH]c1C 114757344 ZGOXUNKCJJIAKM-UHFFFAOYSA-N 209.314 2.733 30 20 BFED CCCN(CC#N)C(=O)C[C@H]1CC[C@@H](C)C1 123449284 ZMEPKGUGOKLDDO-NEPJUHHUSA-N 222.332 2.575 30 20 BFED CCN(CCC#N)Cc1cc(C)ccc1F 127587321 WCZBSUZHVZHXMY-UHFFFAOYSA-N 220.291 2.870 30 20 BFED C#CCCCCNC(=O)Nc1cccc(OC)c1 132903919 PMRNPNUNWPDRFW-UHFFFAOYSA-N 246.310 2.620 30 20 BFED Cc1ccnc(N2CCC(C)(C)CC2)c1C#N 135076351 SMHPMOMRJWVFPY-UHFFFAOYSA-N 229.327 2.888 30 20 BFED C#CCCCCNC(=O)C[C@H](C)CCC 156273291 KOIFZKOXCISNEZ-GFCCVEGCSA-N 209.333 2.732 30 20 BFED C[C@@H](NC(=O)C1(C#N)CCC1)c1ccsc1 156942946 AXNQDQUTGPBCLI-SECBINFHSA-N 234.324 2.619 30 20 BFED C=C(C)CNC(=O)/C=C(/C)c1ccc(F)cc1 161128751 MRJGINZVGAAZML-FLIBITNWSA-N 233.286 2.921 30 20 BFED C#C[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 163418019 YHJHQUIWAMXHMN-NSHDSACASA-N 229.323 2.736 30 20 BFED C#C[C@H](C)N[C@@H]1CCC[C@H](C(F)(F)F)C1 166399998 XYFNXKAOTMKPPQ-LPEHRKFASA-N 219.250 2.719 30 20 BFED CC(C)(C#N)CCCN1C[C@H]2[C@@H](C1)C2(C)C 174875886 ZCOLSILFVGMXAI-TXEJJXNPSA-N 220.360 2.904 30 20 BFED CC[C@@H](C#N)OC(=O)c1coc2ccccc12 176012868 ATIVPDMUHUZMIL-VIFPVBQESA-N 229.235 2.892 30 20 BFED C/C=C/C=C/C(=O)Nc1ccc(F)cc1C#N 177590350 YMWWIFQUBRQKCD-MQQKCMAXSA-N 230.242 2.768 30 20 BFED CC(C)(C#N)c1nc(-c2ccccc2)no1 177717153 GOZDCMUOYJYDEA-UHFFFAOYSA-N 213.240 2.538 30 20 BFED C=C(C)CN(C)C(=O)C[C@@H]1CC[C@@H](C)C1 180388437 QWMKFKYWYGPDAD-VXGBXAGGSA-N 209.333 2.847 30 20 BFED CC(C)OCCCCNCc1ccc(C#N)cc1 181601949 HZOQOFFZRFRBFD-UHFFFAOYSA-N 246.354 2.853 30 20 BFED C=CCCN[C@@H](C)c1nc(C(C)(C)C)no1 185182796 ZAOULWTXFZSYTF-VIFPVBQESA-N 223.320 2.594 30 20 BFED C[C@H]1CC[C@H](CN(CCC#N)CC(C)(C)C)O1 188591633 KLOZAIPNPHDTAY-QWHCGFSZSA-N 238.375 2.816 30 20 BFED C=CCCC(=O)COc1ccsc1C(C)=O 193520271 VVNCBDVFYHQZLH-UHFFFAOYSA-N 238.308 2.865 30 20 BFED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)cc1Cl 225780147 XXXXJXRRCHRNQN-VXNVDRBHSA-N 234.686 2.806 30 20 BFED CCCCCCCN1CC[C@H](N)[C@@H](C)C1 227054682 JUFAVMQQOAZGDW-STQMWFEESA-N 212.381 2.626 30 20 BFED C#C[C@H](CC)NCc1cccc(OCCC)c1 229887294 VVEFKSZDIPJOEG-CQSZACIVSA-N 231.339 2.977 30 20 BFED C#CCCCNCc1cc(C)sc1C 230197854 DUKUTPUSKRVOBO-UHFFFAOYSA-N 207.342 2.868 30 20 BFED C[C@@H]1CCC[C@H]1CNc1ccc(C#N)nc1 230684051 IRUVGYBMXVJXMW-MNOVXSKESA-N 215.300 2.801 30 20 BFED C#CCCCOc1ccc2c(c1)C(=O)CCC2 236412106 OINDIBGXHHZRRK-UHFFFAOYSA-N 228.291 2.998 30 20 BFED N#CCCNC(=O)Nc1ccc2ccccc2c1 240771093 AVQWQECNSISXGF-UHFFFAOYSA-N 239.278 2.875 30 20 BFED Cc1ccc(CN(C)C[C@@H](C)C#N)cc1F 271116793 FTHSIUUWJBQAIR-JTQLQIEISA-N 220.291 2.726 30 20 BFED C=CCC[C@@H](C)NC[C@@]1(O)CCc2ccccc21 273476798 LACSGAPCNSMOTG-CJNGLKHVSA-N 245.366 2.765 30 20 BFED C=C(C)CCN1CCC(O)(c2ccccc2)CC1 274839780 OFGQAQLLIZLPGC-UHFFFAOYSA-N 245.366 2.936 30 20 BFED C=CCCN(C)c1nnc(C(F)(F)F)s1 276290317 JPIUDCMSJVIKTR-UHFFFAOYSA-N 237.250 2.569 30 20 BFED C#Cc1ccc(CN[C@H]2CCCSC2)cc1 278925340 KTYJCRTXDFJIAP-AWEZNQCLSA-N 231.364 2.653 30 20 BFED C#CCn1ccc(CN(CC)CCCC(C)C)n1 279721723 LUZFLBHIAOSGBC-UHFFFAOYSA-N 247.386 2.774 30 20 BFED C=CCN1CC[C@@H](S[C@@H](C)C(C)C)C1=O 281055925 SXMBVYYMLQBRAW-WDEREUQCSA-N 227.373 2.551 30 20 BFED CC1(C)C[C@@H]1NC(=O)c1cc(C#N)ccc1Cl 285070396 JEKXMJDDEDMHDX-NSHDSACASA-N 248.713 2.740 30 20 BFED C=CCN1CCC[C@@H](Oc2ccccc2OC)C1 286423565 KRKRIZBPQPLSPB-CYBMUJFWSA-N 247.338 2.724 30 20 BFED N#Cc1cccc(Cl)c1NCC1=CCCOC1 288122655 ADFQZAJFAALPQV-UHFFFAOYSA-N 248.713 2.970 30 20 BFED C=CCN(CCC#N)C(=O)c1ccc(CC)cc1 292574051 YCVJWADDHYYHAH-UHFFFAOYSA-N 242.322 2.791 30 20 BFED C=CCOCCN1C[C@@H](C)[C@@H]1c1ccccc1 292919049 XUHRDMSXOPZAER-UKRRQHHQSA-N 231.339 2.882 30 20 BFED Cc1nc(Cl)ccc1NC(=O)CCCC#N 293435711 UWNPWAXDPOHSPB-UHFFFAOYSA-N 237.690 2.676 30 20 BFED CC#CCN(C)C(=O)[C@H](CC)c1ccc(F)cc1 294570611 OCIFZMPNUFGSSL-CQSZACIVSA-N 247.313 2.801 30 20 BFED C#CC(C)(C)NC(=O)c1cc(F)ccc1Cl 294609074 DRKSORZHUGDUMW-UHFFFAOYSA-N 239.677 2.621 30 20 BFED C=CCCc1noc(COCCCCC)n1 297232639 HYKOPENMCVRVHB-UHFFFAOYSA-N 224.304 2.895 30 20 BFED C[C@@H](NCCC#N)c1cccc(N2CCCC2)c1 299011848 QSYOXYVJTILONA-CYBMUJFWSA-N 243.354 2.851 30 20 BFED CSC1CCN(CCCCC#N)CC1 300906851 WSIPENDOMTUMOQ-UHFFFAOYSA-N 212.362 2.508 30 20 BFED N#Cc1cccc(C#N)c1Oc1ccc(F)nc1 302884743 LYBNVMCMKZBHLF-UHFFFAOYSA-N 239.209 2.756 30 20 BFED CC#CCCNc1c(F)cccc1[N+](=O)[O-] 304461114 DVMVOJWELXVNAU-UHFFFAOYSA-N 222.219 2.559 30 20 BFED CC(C)=NNc1ccnc(Br)c1 307135059 PPJVLLPBSOTXNF-UHFFFAOYSA-N 228.093 2.652 30 20 BFED CC#CCCn1cnc(Cl)c1Cl 307191637 KQDZVKBSZDYMEK-UHFFFAOYSA-N 203.072 2.603 30 20 BFED C[C@]1(c2c(F)cccc2Cl)O[C@H]1C#N 307678962 PPHDRTKABFZDLX-WPRPVWTQSA-N 211.623 2.617 30 20 BFED C=C(C)COCCNc1ccnc(CC)c1 307771090 NWNQLQQXBBNEHN-UHFFFAOYSA-N 220.316 2.649 30 20 BFED CC#CCCNC(=O)[C@H](CCC)CC(C)C 308011486 GBSVINAMLZBEDX-CYBMUJFWSA-N 223.360 2.978 30 20 BFED C[C@H](C#N)OCCSc1cccs1 308140788 LAFLCPWEGYEACC-MRVPVSSYSA-N 213.327 2.769 30 20 BFED C=CC(C)(C)CNc1cc(C#N)nc(CC)n1 308162817 ASQZDXBFRWLLHB-UHFFFAOYSA-N 230.315 2.535 30 20 BFED C=CC[C@H](CC)Nc1cc(C#N)nc(CC)n1 308172593 VEFAWZOVJPQOQZ-JTQLQIEISA-N 230.315 2.677 30 20 BFED C=C[C@H](COC)NCc1cc(C)sc1C 308972067 AEXYYVRDUQRDDM-GFCCVEGCSA-N 225.357 2.656 30 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2.648 30 20 BFED CCC[C@@H](OCC)C(=O)OCC(C)(C)CC#N 860659218 ZJUDZHKLESVKFQ-LLVKDONJSA-N 241.331 2.675 30 20 BFED C=C[C@H](C)OC(=O)c1conc1C(C)C 860681776 LKUWUQDXQRUZMI-QMMMGPOBSA-N 209.245 2.529 30 20 BFED C#CCc1c(C)nn(CCc2ccccc2)c1C 871946272 PQBBAINJGJUFKC-UHFFFAOYSA-N 238.334 2.918 30 20 BFED CC1(C)CCC[C@@H]1NN=Cc1cnsc1 872370848 GGAABRBGCBBTGL-JTQLQIEISA-N 223.345 2.645 30 20 BFED C#CCC[C@@H](C)OC(=O)C1(C)CC(F)(F)C1 873542318 ZKYXZPXGTSWSDB-SECBINFHSA-N 230.254 2.767 30 20 BFED Cc1ccc(NC[C@H]2CCCCS2)c(C#N)n1 882174477 RUUZLECAAKLZNT-LLVKDONJSA-N 247.367 2.959 30 20 BFED C=CC(C)(C)CNc1ccc(C)nc1C#N 882417684 XWMWUJMVMPVMEM-UHFFFAOYSA-N 215.300 2.886 30 20 BFED C#CCC1(C(=O)N2C[C@H]3C=C[C@H]2C3)CCCCC1 882423925 JKHQIPNCAJDKAT-KBPBESRZSA-N 243.350 2.747 30 20 BFED C=C1CCC(C(=O)OC[C@@H]2CC[C@@H](C)O2)CC1 885652359 SSNZOZPWNWLHCE-YPMHNXCESA-N 238.327 2.844 30 20 BFED C=C1CCC(C(=O)N[C@@H](COC)C(C)C)CC1 889198330 MWLQBGYQPMKENK-ZDUSSCGKSA-N 239.359 2.520 30 20 BFED 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30 20 BFED C=CCCCCC[C@@H](C)N[C@H](C)CC(=O)O 1118019662 QTLFKPCNSRAODH-VXGBXAGGSA-N 227.348 2.964 30 20 BFED C=CCCOC(=O)c1ccc(CF)cc1 1118406654 IAJTUNAOTLJLHY-UHFFFAOYSA-N 208.232 2.889 30 20 BFED C#CCCCc1nnc(-c2ccccc2OC)o1 1118427390 IVCYOHNNALQYJD-UHFFFAOYSA-N 242.278 2.701 30 20 BFED C#CC[C@H](C)OC(=O)c1ccsc1C 1122651158 YFSATYNWRCSTTJ-QMMMGPOBSA-N 208.282 2.625 30 20 BFED CCc1cn(Cc2ccc(F)cc2C#N)cn1 1190104045 PELKZDLBJXLOMF-UHFFFAOYSA-N 229.258 2.505 30 20 BFED CC(=NNCc1ccc(F)cc1)c1ccncc1 1253080647 WZWUBDMWHDIACK-UHFFFAOYSA-N 243.285 2.735 30 20 BFED C=C(C)CCC(=O)N1C[C@H](C)C[C@@H](C)C1 1262560963 HXZIYCCWCKVPNI-VXGBXAGGSA-N 209.333 2.847 30 20 BFED C#CCN(CC1CC1)C[C@H]1CC1(Cl)Cl 1319458025 GNFJFZIHQFKILB-SNVBAGLBSA-N 232.154 2.525 30 20 BFED C=C[C@@H](COC)N[C@H](C)Cc1cccc(F)c1 1320593142 YJYHYHKTFAIXGB-RISCZKNCSA-N 237.318 2.547 30 20 BFED CCO[C@H](C)c1nnc(-c2ccc(C#N)cc2)o1 1326238542 OVJBZPAOSWSBEC-SECBINFHSA-N 243.266 2.706 30 20 BFED C=CCCOC(=O)C1(C(C)(F)F)CC1 1333302295 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244.338 2.799 30 20 BFED C=CCN(CC=C)Cc1cccc2c1OCCO2 101726415 TZVPTPCDNQUHAD-UHFFFAOYSA-N 245.322 2.632 30 20 BFED C#Cc1cccc(N(C)C[C@H]2CCCCO2)c1 103146794 ZBMSXRQJAYDQQA-OAHLLOKOSA-N 229.323 2.673 30 20 BFED CCCCS[C@H](C)C(=O)N(C)[C@H](C)CC#N 103441281 RFFFNFJCRUPYLZ-GHMZBOCLSA-N 242.388 2.669 30 20 BFED C=CCN(CC=C)Cc1ccc2c(c1)OCCO2 114723968 PKBDRFYNZYADKA-UHFFFAOYSA-N 245.322 2.632 30 20 BFED CC#CCNC(=O)C(C)(C)CCCCC 121561709 BMIBBFPHAOKPPH-UHFFFAOYSA-N 209.333 2.732 30 20 BFED CCc1oc2ccccc2c1C(=O)N[C@@H](C)C#N 123475209 FXIRSUDLIUQJRN-VIFPVBQESA-N 242.278 2.637 30 20 BFED C=CCC[C@H](C)NC[C@@H](C)CN1CCCC1 126767340 VVMWZLSEULBMBL-KGLIPLIRSA-N 224.392 2.663 30 20 BFED C#CCOc1cccc(NC(=O)N(C)C(C)C)c1 129068958 NOJWACWLWHBIHA-UHFFFAOYSA-N 246.310 2.571 30 20 BFED C#CCCCCN[C@@H](C)c1ccncc1 130815989 YVUQNYFFBTVTIG-LBPRGKRZSA-N 202.301 2.536 30 20 BFED C=CCCOCC(=O)Nc1cc(C)ccc1F 138385040 UZXJSTGGNKNZSK-UHFFFAOYSA-N 237.274 2.665 30 20 BFED CCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 155551985 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30 20 BFED C=C(C)CN(CC)Cc1oc(CC)nc1C 428459474 DZUXPNRLBRZVBX-UHFFFAOYSA-N 222.332 2.943 30 20 BFED C=C[C@H]1CCCCN1C[C@H]1C[C@H]2CC[C@H]1O2 450887022 XQXGOABVEHDMDL-XJFOESAGSA-N 221.344 2.594 30 20 BFED C=CCCCN1CC[C@@H](OCC)[C@H](C)C1 451546611 SHSDYTKVRZMGPN-CHWSQXEVSA-N 211.349 2.700 30 20 BFED C=CCC[C@@H](NCC[C@H](C)CCO)C1CC1 453237388 PYEMOTFMKWOWRB-GXTWGEPZSA-N 225.376 2.729 30 20 BFED CN(Cc1ccc(F)c(C#N)c1)[C@@H]1CC1(C)C 489402140 JSXGMIDTDOKIOG-CYBMUJFWSA-N 232.302 2.928 30 20 BFED C#C[C@H](NC(=O)[C@@H]1CCC[C@@H]1CC)C(C)C 491554005 FOKZGLUSPVLUQD-XQQFMLRXSA-N 221.344 2.587 30 20 BFED C#C[C@H](CC)NC(=O)C(C)(C)c1ccc(C)cc1 491784973 RNRISMYGYHBKCD-CQSZACIVSA-N 243.350 2.801 30 20 BFED C=C[C@@H]1CCCCN1C(=O)/C=C\c1cccnc1 493009470 WCDJBZNWTVMMPT-QIAWRQBBSA-N 242.322 2.662 30 20 BFED CC1(C#N)CN(Cc2cccc(F)c2Cl)C1 519555710 ZFPHHTRGOHIOOG-UHFFFAOYSA-N 238.693 2.825 30 20 BFED CC#CCN(C)[C@@H](CC)Cc1ccccc1 525635173 KNQQDMOGCFCXPT-HNNXBMFYSA-N 215.340 2.963 30 20 BFED 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C=CC[C@@H](C)NC(=O)N1CCC[C@H](CC)C1 116974021 AGFQFDVVPJXASZ-NEPJUHHUSA-N 224.348 2.783 30 20 BFED C=CCCCOC(=O)c1cccc(C)n1 117993391 OVLJGKZFOBXTDW-UHFFFAOYSA-N 205.257 2.513 30 20 BFED CCCCCCCN(C)CC(C)(C)CN 118855034 NAJHNCAJVCZROS-UHFFFAOYSA-N 214.397 2.874 30 20 BFED C#CCCCCC(=O)Oc1ccccc1OC 119513814 RTYMOQUQJKISQU-UHFFFAOYSA-N 232.279 2.794 30 20 BFED C=C(C)CNCc1csc(C2CC2)n1 119622683 BHBIJZIADNGALD-UHFFFAOYSA-N 208.330 2.686 30 20 BFED N#Cc1ncccc1NC[C@@H]1Cc2ccccc21 124164458 PTLGOCHMYQZGDZ-LBPRGKRZSA-N 235.290 2.705 30 20 BFED CCN(C[C@H](C)C#N)C(=O)C1(C)CCCCC1 128619292 QFIHNLMGNJAFFA-GFCCVEGCSA-N 236.359 2.965 30 20 BFED C#CCSCCN[C@H](C)CC1CCC1 129979303 NXMSUZVLGYVWOW-LLVKDONJSA-N 211.374 2.521 30 20 BFED CC(C)(C#N)NC(=O)c1cccc(Cl)c1F 130489065 PZCBWLDCZJEHPL-UHFFFAOYSA-N 240.665 2.511 30 20 BFED Cc1ccc(C#N)cc1NC(=O)NC1CCC1 134460091 JZOYFPOZFSQZES-UHFFFAOYSA-N 229.283 2.541 30 20 BFED CCN(CC)C[C@@H](C)NCC(C)(C)CCC#N 135174338 ILSUOYNHWSNBGM-CYBMUJFWSA-N 239.407 2.636 30 20 BFED C=C(C)CNCc1ccc(OC)c(F)c1 153376369 YJBOEMLSTPDCMU-UHFFFAOYSA-N 209.264 2.500 30 20 BFED C=CCCOCCNC(=O)C[C@H]1CC[C@@H](C)C1 155519613 AUVOIVUAIWUAEX-OLZOCXBDSA-N 239.359 2.522 30 20 BFED C=C(C)CNC(=O)NCc1ccc2c(c1)CCC2 156412342 YZKMYGDYEYLXMW-UHFFFAOYSA-N 244.338 2.551 30 20 BFED C#C[C@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] 166918027 ULVCUMBRDWAYPB-ZETCQYMHSA-N 224.647 2.682 30 20 BFED C=CC[C@H](C)[C@@H](C)NCC1(O)CCCCC1 167183771 GOJAHTXQLKMUFO-QWHCGFSZSA-N 225.376 2.872 30 20 BFED C=CCCN1CC[C@H](C(=O)O)c2ccccc21 167288790 YGBQZCUHDLWKHQ-LBPRGKRZSA-N 231.295 2.641 30 20 BFED C#CCCCOC(=O)c1cc2c(s1)CCC2 170714811 LGCHIJINBGSIBG-UHFFFAOYSA-N 234.320 2.807 30 20 BFED CC(C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C 171136472 DNBUQQBDGFICAA-UHFFFAOYSA-N 248.330 2.645 30 20 BFED CCC(CC)(CC)NC(=O)NCCCCC#N 174726717 XUCPQQGWUVZBLL-UHFFFAOYSA-N 239.363 2.948 30 20 BFED C=CCCCC(=O)N[C@@H](C)c1cccc(O)c1 175513258 JKNDXRPLFNFBGH-NSHDSACASA-N 233.311 2.926 30 20 BFED Cc1ccc(-c2noc(C(C)(C)C#N)n2)cc1F 177722184 HDHFEDSVRCJFFM-UHFFFAOYSA-N 245.257 2.985 30 20 BFED C=CCSCCN[C@H](C)[C@H](C)CC 180457211 YUGRTPQOVUMISB-GHMZBOCLSA-N 201.379 2.930 30 20 BFED Cc1ccc(C[C@H](C)C(=O)N[C@@H](C)CC#N)cc1 181157975 HWYVDOIDXHFPQD-STQMWFEESA-N 244.338 2.592 30 20 BFED CCCN(CC#N)CCC(=O)c1ccc(F)cc1 182318336 LBWACDNTIJXPBU-UHFFFAOYSA-N 248.301 2.634 30 20 BFED CC(C)[C@@]1(C)C[C@@H]1C(=O)N(C)C1(C#N)CCC1 185744459 HAYBNHZYRPTLDA-DGCLKSJQSA-N 234.343 2.573 30 20 BFED C/C=C/C=C\C(=O)Nc1ccc(OCC#N)cc1 205810119 IZIXSNOKDKKYHX-IAROGAJJSA-N 242.278 2.660 30 20 BFED C#C[C@H](CC)NCc1cccc2c1OC(C)(C)C2 229891696 HBBBSMWRBDDHOM-CQSZACIVSA-N 243.350 2.902 30 20 BFED C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1C 229959764 HCVSQZWYCHYOEC-GHMZBOCLSA-N 232.302 2.785 30 20 BFED N#Cc1ccc(N[C@H]2CCO[C@H]2C2CC2)c(F)c1 230307152 KDVSPZHNNRRYIS-KBPBESRZSA-N 246.285 2.677 30 20 BFED C#C[C@H](CCC)NC(=O)CCc1ccccc1 233357296 ITPRYADKSNGYFK-CQSZACIVSA-N 229.323 2.537 30 20 BFED CC(C)[C@H]1CC[C@H](C(=O)NC[C@H](C)C#N)CC1 245520105 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CC#CCCCc1nc(C(C)(C)C)no1 274352738 SSMOCUCHMAYXRR-UHFFFAOYSA-N 206.289 2.713 30 20 BFED C=C[C@](C)(CC)C(=O)NCCc1ccc(O)cc1 276208213 WBEIYUNZLXTPKR-OAHLLOKOSA-N 247.338 2.653 30 20 BFED C[C@@H](CC#N)Nc1ccc(Cl)cc1[N+](=O)[O-] 276263179 SYDPVXVCSRBGEX-ZETCQYMHSA-N 239.662 2.962 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@@](C)(C=C)CCOC 281069526 MMSVWUJMZVIJQX-OCCSQVGLSA-N 239.359 2.686 30 20 BFED CSCC(C)(C)C(=O)Oc1ccc(C#N)cc1 282449832 GKUHMWGEBVGKRS-UHFFFAOYSA-N 249.335 2.853 30 20 BFED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccco2)no1 284153418 ZEHYZYXOFQHBSI-MWLCHTKSSA-N 246.266 2.778 30 20 BFED N#CCCN(CCCCCF)Cc1ccccn1 284306419 ZNIIOYYXFAQMRI-UHFFFAOYSA-N 249.333 2.937 30 20 BFED C=CCOCCN1C[C@H](C)[C@H]1c1ccccc1 292919052 XUHRDMSXOPZAER-ZFWWWQNUSA-N 231.339 2.882 30 20 BFED C=CCN(CCC#N)C(=O)[C@@](C)(C=C)CC 293956567 VWBSBAVQMLNODO-ZDUSSCGKSA-N 220.316 2.517 30 20 BFED C=CC(C)(C)C(=O)NCCc1cccc(C)c1 294686268 XBGPWLANKJAOHH-UHFFFAOYSA-N 231.339 2.866 30 20 BFED C[C@@H](CCC#N)N1CCC[C@H](c2ccncc2)C1 298497201 JWFZFMAGGDLZCB-ZFWWWQNUSA-N 243.354 2.953 30 20 BFED N#Cc1c(F)cccc1N[C@@H]1C[C@@H]2OCCC[C@@H]21 302581703 UCYBEJCOAVXKGL-FZQKWOKYSA-N 246.285 2.677 30 20 BFED CSc1ccccc1NCCO[C@@H](C)C#N 304222379 HZFHOUAJMNERLS-JTQLQIEISA-N 236.340 2.749 30 20 BFED Cc1ccc(Cl)c(NCCO[C@@H](C)C#N)c1 304234789 LXFQENADALNUQM-JTQLQIEISA-N 238.718 2.989 30 20 BFED C#C[C@@](C)(CC)NC(=O)[C@H](CC)CC(C)C 307998236 CNSRBIZWEPRJQK-OCCSQVGLSA-N 223.360 2.977 30 20 BFED CO[C@@H]1C[C@H](Nc2cccc(C#N)c2)C12CCC2 308380913 WKTZYJXWPVWWKV-UONOGXRCSA-N 242.322 2.928 30 20 BFED C=C[C@H](COC)N[C@H](C)CC1CCCC1 308965560 VHQUMTKNKCFXCJ-DGCLKSJQSA-N 211.349 2.746 30 20 BFED C=CCC[C@@H](CC)NC[C@@H](C)CN(C)C 309045148 NZHFHUNJHYVWLJ-CHWSQXEVSA-N 212.381 2.519 30 20 BFED CC(C)c1[nH]ccc1/C(O)=N/CC(C)(C)C#N 330614245 ZXQXNIPJVUAPOG-UHFFFAOYSA-N 233.315 2.992 30 20 BFED CC(C)CC[C@@H]1CCC[C@H]1NC(=O)CC#N 331060524 NMWGPKHLUXSQPQ-NWDGAFQWSA-N 222.332 2.621 30 20 BFED C[C@H]1CN(CC2(C#N)CC2)CC(C)(C)C1 334420142 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LYLUKEFODSYSNA-SECBINFHSA-N 234.324 2.704 30 20 BFED C=CCCCC(=O)NC[C@@H]1CCC[C@H]1C 339501709 ZPWDDWCTKXFOTO-NEPJUHHUSA-N 209.333 2.895 30 20 BFED C=CC[C@@H](CO)CN[C@@H](C)c1cccc(F)c1 341884553 KPMHMVZDPVAVBS-NWDGAFQWSA-N 237.318 2.661 30 20 BFED C=C[C@@H](C)NC(=O)CCc1ccc2[nH]ccc2c1 342971116 MGBPILPULNCHFG-LLVKDONJSA-N 242.322 2.791 30 20 BFED C=CCCC[C@H](C)NC(=O)C1CCSCC1 343257764 GLACLYLEIDKFLH-NSHDSACASA-N 241.400 2.991 30 20 BFED C=CCN1CC[C@@H](SC2CCCCC2)C1=O 344600104 GPNHAFWXMWKZCM-GFCCVEGCSA-N 239.384 2.839 30 20 BFED Cc1ccncc1CCCN(C)[C@@H](C)CC#N 347771119 IHXXAPQSAOGZSU-ZDUSSCGKSA-N 231.343 2.557 30 20 BFED C=CCCC1(C(=O)N2CC[C@@H](C)C2)CC1 355439959 GLWSNRBHKCLEBR-LLVKDONJSA-N 207.317 2.601 30 20 BFED C=C[C@H](C)NC(=O)N[C@H]1CC12CCCCC2 356199730 FDYZSXOVJWLKBF-QWRGUYRKSA-N 222.332 2.583 30 20 BFED CC(C)N(C)C[C@H](C)Nc1cccc(F)c1C#N 357586920 QPRRKWYCDXKMJR-NSHDSACASA-N 249.333 2.838 30 20 BFED CCC1(C(=O)N(C)C[C@@H](C)C#N)CCCCC1 359262838 PBYUYUFELFJBDC-LBPRGKRZSA-N 236.359 2.965 30 20 BFED N#Cc1ccc(N2CC[C@@H](c3ccco3)C2)cn1 360483739 NDOABXTWSIEGML-LLVKDONJSA-N 239.278 2.540 30 20 BFED C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cc(C#N)n(C)c2)C1 361604653 UYPBUHXBWKMJHQ-JHJVBQTASA-N 245.370 2.763 30 20 BFED C=C[C@@H]1CCCCN1c1ncnc(CC)c1F 362844877 WLEQHWXDDJEGOH-SNVBAGLBSA-N 235.306 2.723 30 20 BFED C=CCC(C)(C)CN=c1ccc(Cl)n[nH]1 379936412 WCAVULJFDQILKA-UHFFFAOYSA-N 225.723 2.566 30 20 BFED C=CCC(C)(C)CN[C@H](C)[C@@H]1CCCCN1 386376381 CFLRAPZJKQOLKL-OLZOCXBDSA-N 224.392 2.709 30 20 BFED CC[C@@H]1C[C@H]1CNCc1ccc(C#N)cc1 387785374 FBUNBHIBPWPWAN-KGLIPLIRSA-N 214.312 2.694 30 20 BFED N#Cc1cc(-c2cccs2)nn1CC1CC1 409444038 ZDYXJSNDIKMGIL-UHFFFAOYSA-N 229.308 2.893 30 20 BFED CCC[C@H](C#N)N(C)C(=O)c1ccc(C)cc1F 410828349 NHOAMHDSSSTTIJ-LLVKDONJSA-N 248.301 2.898 30 20 BFED COc1ccc(F)c(CN[C@@H]2CC[C@H](C#N)C2)c1 424203816 RZORPBCAGSJOHM-CMPLNLGQSA-N 248.301 2.616 30 20 BFED C=CCCCC[C@H](C)N(C)[C@@H](C)C[S@@](C)=O 449239399 JJDCTSIWVFDGJG-HEHGZKQESA-N 245.432 2.820 30 20 BFED 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BFED CC(C)CC1(C(=O)N(C)[C@@H](C)CC#N)CCC1 1262822985 QRFCNWWHBYBZHP-LBPRGKRZSA-N 236.359 2.963 30 20 BFED C#CCCOc1cccc2c1C(=O)CC(C)(C)O2 1324801948 HTEGDHOBUSOJJK-UHFFFAOYSA-N 244.290 2.833 30 20 BFED C=CCn1cnnc1S[C@@H]1CC[C@H](C)C1 1325260371 XPUXLBQBZUYUIM-VHSXEESVSA-N 223.345 2.745 30 20 BFED C=CCn1cnnc1SCC1CC(F)(F)C1 1326503590 VDPKCYBYUXMBNW-UHFFFAOYSA-N 245.298 2.602 30 20 BFED C=C(C)CCC(=O)NCCOc1ccc(C)cc1 1335445965 XRJQBPBIEHQQQK-UHFFFAOYSA-N 247.338 2.846 30 20 BFED C=C(C)CCC(=O)N1CCC[C@H](COCC)C1 1336346194 DEFNYVUHCQAQCC-ZDUSSCGKSA-N 239.359 2.618 30 20 BFED C=C[C@@H](COC)N[C@H](CC)c1ccc(OC)cc1 1338113235 SJSXHKCZZHQYMA-DZGCQCFKSA-N 249.354 2.937 30 20 BFED C=CC[C@@H](CC)NC(=O)c1cn(CCC)nc1C 1338996550 UPUBSJASEXGHMY-GFCCVEGCSA-N 249.358 2.686 30 20 BFED CC(C)(C)[C@@H]1CCN1C(=O)NCC1(CC#N)CC1 1340234258 OMPSQRCJBCZNMY-NSHDSACASA-N 249.358 2.510 30 20 BFED C#C[C@H](C)OC(=O)c1cnc(CC(C)C)s1 1342668211 REWFAVMXIDCVTN-VIFPVBQESA-N 237.324 2.520 30 20 BFED C=C(CC)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 1345589457 VXIZRLLNIBKJNK-XGFWRYKXSA-N 233.355 2.894 30 20 BFED C#C[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(F)cc1 1346394590 RYRUTOHUEXSGMJ-GHMZBOCLSA-N 248.301 2.550 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)[C@H]1CCC(F)(F)C1 1518547823 IJHRXZFNYCEURS-UWVGGRQHSA-N 244.285 2.572 30 20 BFED CCC[C@H](CC)C(=O)OCC#Cc1ccccn1 1518982762 VTNCWOBVNMRHKE-ZDUSSCGKSA-N 245.322 2.803 30 20 BFED C=C(CC)C(=O)N[C@@H](CC)c1ccccn1 1521660482 WUYYUVOKTKYOHN-NSHDSACASA-N 218.300 2.615 30 20 BFED Cc1[nH]c(C#N)cc1C(=O)Nc1ccccc1F 1538635163 CKMWBWGSVJAXEG-UHFFFAOYSA-N 243.241 2.586 30 20 BFED C=C(C)C(C)(C)C(=O)Oc1ccc(C(=O)O)cc1 1602744993 WEEWWRZZPHFHIX-UHFFFAOYSA-N 248.278 2.893 30 20 BFED C=C1C[C@@H](C(=O)O)N(C[C@@H](C)CC(C)(C)C)C1 1776146129 PKMMVDLJGXTPTL-RYUDHWBXSA-N 239.359 2.774 30 20 BFED CC(C)CO[C@H](C)C(=O)Nc1ccc(C#N)cc1 19847388 IJWGUXHGDCJDJV-LLVKDONJSA-N 246.310 2.558 30 20 BFED CC[C@H](CC#N)NCCOc1cccc(C)c1 42896569 ZINLXKPDZHKHPQ-CYBMUJFWSA-N 232.327 2.656 30 20 BFED CCN(C(=O)[C@H](C)C#N)c1ccccc1C 44810229 ZZXZEBFLZUDJPS-LLVKDONJSA-N 216.284 2.508 30 20 BFED C[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 44814021 BWRILKCMKNCSNU-LURJTMIESA-N 226.638 2.577 30 20 BFED N#Cc1ccc(CO/N=C(/N)C2CCCC2)cc1 47272655 IIAOPWIQIUKMKX-UHFFFAOYSA-N 243.310 2.537 30 20 BFED CCCCCCC[C@H](C)N[C@@H](C)CO 59292809 SCKMBWICUAWCNK-RYUDHWBXSA-N 201.354 2.706 30 20 BFED C=C(Br)CNCc1ccsc1 63152909 GGEBSIXKMSHJJS-UHFFFAOYSA-N 232.146 2.746 30 20 BFED C[C@H](NCc1ccnc(C#N)c1)c1ccccc1 68751101 CECOVGZZUQVUJM-LBPRGKRZSA-N 237.306 2.804 30 20 BFED C#CCCN[C@H](CC)c1ccc(OC)cc1 70191104 DMSRVPUMZYVFDB-CQSZACIVSA-N 217.312 2.759 30 20 BFED C=CCCC(=O)N(C)[C@@H]1CCc2ccccc2C1 74605052 FAYWGOJBLYBAJA-OAHLLOKOSA-N 243.350 2.969 30 20 BFED Cc1cc(C)cc(CNc2c(C#N)cnn2C)c1 83368476 NAFWEJGQLYUTMA-UHFFFAOYSA-N 240.310 2.521 30 20 BFED Cc1ccccc1NC(=O)C1(C#N)CCC1 83794799 FEFJLAAIBWOGCA-UHFFFAOYSA-N 214.268 2.627 30 20 BFED N#Cc1ccccc1C[S@@](=O)c1cccs1 84262556 SIOXNBWDDHVLHY-INIZCTEOSA-N 247.344 2.928 30 20 BFED C=CC1CCN(Cc2ccc(C)o2)CC1 93359195 RRRUDZOPTVWCIY-UHFFFAOYSA-N 205.301 2.986 30 20 BFED CCC1(C(=O)Nc2ccc(C#N)cn2)CCCC1 94901767 SGXBLZDEHVWMCE-UHFFFAOYSA-N 243.310 2.862 30 20 BFED CCCCN1C(=O)CSc2cc(C#N)ccc21 96028758 LOLFLAJUKBOYAJ-UHFFFAOYSA-N 246.335 2.797 30 20 BFED C=C(C)CN(CC)C(=O)Cc1cccc(C)c1 102603016 YSUSOVONEDEECE-UHFFFAOYSA-N 231.339 2.962 30 20 BFED C=CCOC(=O)Cc1coc(-c2cccs2)n1 106298526 OCAZWSGSOGIYID-UHFFFAOYSA-N 249.291 2.675 30 20 BFED C=CCN1CCC(c2nc3ccccc3[nH]2)CC1 111234093 GQTNBRXMVYRKIE-UHFFFAOYSA-N 241.338 2.928 30 20 BFED C=CCCCOC(=O)/C=C/c1cnc(C)s1 117995536 CIHCTNXXNKQUAW-VOTSOKGWSA-N 237.324 2.974 30 20 BFED CC(C)(C#N)CCN1CCC[C@H](c2ccn[nH]2)C1 119900962 NCWDGJOZTIAIOV-LBPRGKRZSA-N 246.358 2.529 30 20 BFED Cc1ccc(C)c(C(=O)N[C@@](C)(C#N)C(C)C)c1 120676187 BVHFGODWEVBNQS-HNNXBMFYSA-N 244.338 2.972 30 20 BFED COCCCN(C)[C@H](C)c1ccc(C#N)cc1 122866002 HBNWLSOHXNNSPZ-GFCCVEGCSA-N 232.327 2.588 30 20 BFED CC[C@H](C#N)NC(=O)C(C)(C)C1CCCC1 123517414 DSFJRVSZGZDRHI-LLVKDONJSA-N 222.332 2.621 30 20 BFED C=CCCO[C@@H](C)C(=O)N1CCCC[C@@H]1CC 125001087 JICBXFFXZLKSKF-STQMWFEESA-N 239.359 2.759 30 20 BFED CCO[C@H]1C[C@H](N(C)CC#N)C12CCCCC2 127379426 ICOQWVYJDZKLJO-STQMWFEESA-N 236.359 2.570 30 20 BFED C=CCCOc1nc(Cc2ccc(F)cc2)no1 128856162 LRHZOPGTXXDNPN-UHFFFAOYSA-N 248.257 2.754 30 20 BFED CC(C)N(C)C(=O)Nc1ccc(F)c(C#N)c1 129040237 VPPASTMTIRPCNQ-UHFFFAOYSA-N 235.262 2.569 30 20 BFED CC[C@@H](C)CN(C)c1ccc([N+](=O)[O-])c(C#N)c1 131844594 SKFKFUDEOAOJIO-SNVBAGLBSA-N 247.298 2.949 30 20 BFED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1nccs1 135026483 QEHZTKLUCCTOGS-CABZTGNLSA-N 238.356 2.923 30 20 BFED COc1ccc(CN2[C@@H](C)CC[C@@H]2C)cc1C#N 135146369 RVVHUOUCSCRURA-RYUDHWBXSA-N 244.338 2.940 30 20 BFED CC[C@](C)(C#N)C(=O)N[C@@H]1CCCC[C@@H]1C 136174641 IXYFQNCVOIROPP-DMDPSCGWSA-N 222.332 2.621 30 20 BFED C=CCCO[C@@H](C)C(=O)Nc1cscc1C 151304331 LIRVCOSGCVRXGT-JTQLQIEISA-N 239.340 2.976 30 20 BFED C#Cc1cccc(NC(=O)[C@H]2CC2(C)C)c1 154060005 FBDHEDOGBBKAMK-GFCCVEGCSA-N 213.280 2.653 30 20 BFED C#CCCCCNC(=O)C1CCCCCC1 156016082 ZZFCMPVMLUALGI-UHFFFAOYSA-N 221.344 2.877 30 20 BFED C=C(C)CNC(=O)N1CCC[C@@H]1CC(C)C 156518677 QDTSBIWIVXGPAL-GFCCVEGCSA-N 224.348 2.783 30 20 BFED C#CCCCNC(=O)c1c(C)[nH]c2ccccc12 172930681 XCKSGRFJVYJWLG-UHFFFAOYSA-N 240.306 2.620 30 20 BFED C=CCOc1cccc(CNCC(C)(C)OC)c1 174594521 VVRQCEWNXGMEAR-UHFFFAOYSA-N 249.354 2.766 30 20 BFED C=CCN(CC=C)C(=O)N[C@@H]1CCCC1(C)C 174980916 QXRNESBJYSARNW-GFCCVEGCSA-N 236.359 2.949 30 20 BFED Cc1cc(Cl)ccc1C(=O)NC[C@@H](C)C#N 178195224 AIOXJIMAOXUPTN-QMMMGPOBSA-N 236.702 2.538 30 20 BFED C[C@H]1CCN(C(=O)c2cc(C#N)cs2)C[C@@H]1C 179339075 KYWWWJSGPHATHJ-UWVGGRQHSA-N 248.351 2.738 30 20 BFED N#Cc1ccc(CN2CCc3ccccc32)o1 180544936 LIYWGFIOTXBKDG-UHFFFAOYSA-N 224.263 2.714 30 20 BFED C=CCCC(=O)NCCCCCCSC 181814977 BHTLIRILRXTERO-UHFFFAOYSA-N 229.389 2.992 30 20 BFED C=CCCN1CCc2c1cccc2[N+](=O)[O-] 183627243 CMUQEMCBMGAODY-UHFFFAOYSA-N 218.256 2.533 30 20 BFED COc1ccc(OC)c([C@@H](C)NCCCC#N)c1 183666981 SOHUUYZQMKMSKO-LLVKDONJSA-N 248.326 2.658 30 20 BFED CC#CCCCC(=O)N1CCSC(C)(C)C1 185803336 JMHZUGZUZROGRL-UHFFFAOYSA-N 239.384 2.534 30 20 BFED C#CCCCC(=O)N(CC)c1ccc(F)cc1 192089103 UJAMMQQEZNLZJA-UHFFFAOYSA-N 233.286 2.982 30 20 BFED C#CCCCC(=O)N(C)[C@@H]1CCCC[C@H]1C 192130897 GFUNXYZORYAMMR-CHWSQXEVSA-N 221.344 2.827 30 20 BFED CNc1cccc(C(F)(F)F)c1C#N 197469416 CQKQOKMDLSYVCF-UHFFFAOYSA-N 200.163 2.619 30 20 BFED CC1(C)CCCC[C@@H]1C(=O)NCCCC#N 226583182 PWVZCRACODQYGM-LLVKDONJSA-N 222.332 2.623 30 20 BFED CC[C@@H]1C[C@H]1Nc1cccc(F)c1C#N 227012832 RNFYGGKDIVGKTC-PRHODGIISA-N 204.248 2.908 30 20 BFED C[C@H](C#N)CNCc1ccc([C@@H]2C[C@@H]2C)o1 227018561 DAUSLVUNLPQLAL-JFGNBEQYSA-N 218.300 2.652 30 20 BFED CC(C)C[C@@H](O)CNc1ccc(F)cc1C#N 230902170 BZLVJJJKZSXCRR-GFCCVEGCSA-N 236.290 2.516 30 20 BFED N#Cc1ccc(OCc2cnc(Cl)cn2)cc1 231288895 SZSYYNUUEHFMFM-UHFFFAOYSA-N 245.669 2.581 30 20 BFED COc1cc(C#N)cc(OCC2CCC2)c1 234959597 HTIRFUAOMITJIK-UHFFFAOYSA-N 217.268 2.746 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@H]1CCC[C@@H]1CCO 249789773 FAYBTVRCNYGASB-FQUUOJAGSA-N 225.376 2.728 30 20 BFED CCC[C@@H](C#N)NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 252371563 BLZGDUYJPAOQBQ-RVMXOQNASA-N 234.343 2.621 30 20 BFED C=CCCC(=O)N[C@@H](C)c1cccc(OC)c1 263642638 DBFKCWKEDNQCBF-NSHDSACASA-N 233.311 2.839 30 20 BFED C=C(C)CN1CCC(Nc2cccc(C)n2)CC1 265457518 DPZOXCIPRLCWDI-UHFFFAOYSA-N 245.370 2.842 30 20 BFED Cc1cscc1NC(=O)N(C)C[C@H](C)C#N 269595211 HYBVUZWBTJXEFU-MRVPVSSYSA-N 237.328 2.680 30 20 BFED N#CCN(Cc1c(O)cccc1Cl)C1CC1 271149754 SZADLTTXSXGMFZ-UHFFFAOYSA-N 236.702 2.534 30 20 BFED C=CCN(C(=O)c1cccc(N(C)C)c1)C1CC1 271395682 LVDMDRKNFNHDOD-UHFFFAOYSA-N 244.338 2.543 30 20 BFED CC#CCNc1ccccc1[C@H](O)C(F)(F)F 273547158 XZERCSDRIKPVJK-NSHDSACASA-N 243.228 2.718 30 20 BFED C=CCCNc1ccc(F)cc1C(=O)N(C)C 274332652 JFGMPMYSXPUFGT-UHFFFAOYSA-N 236.290 2.516 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@H](C)Oc1ccccc1 281064934 LZPKWCAGTJAHKJ-QWHCGFSZSA-N 247.338 2.925 30 20 BFED CC#CC(=O)Nc1ccc(Cl)cc1OCC 283234389 PBXRSBLMNNQTOU-UHFFFAOYSA-N 237.686 2.701 30 20 BFED C=CCN(C)c1nnc(C2CCC2)n1CC(=C)C 283433043 YKNAPDGIMVCHII-UHFFFAOYSA-N 246.358 2.744 30 20 BFED CCOCC(C)(C)CNCc1ccc(C#N)cc1 288701446 YPVWFJMDWSSVRV-UHFFFAOYSA-N 246.354 2.711 30 20 BFED C[C@H](OC(=O)CCCC#N)c1ccc(C#N)cc1 291394481 ZOUQDLIUAKNIRE-NSHDSACASA-N 242.278 2.856 30 20 BFED CCN(CC#N)Cc1ccc(C(C)C)nc1C 293139523 QIPAMHBPSRSPNA-UHFFFAOYSA-N 231.343 2.859 30 20 BFED C[C@@H](SCCCO)c1cccc(C#N)c1 298205253 INWITXAOWWUHGU-SNVBAGLBSA-N 221.325 2.735 30 20 BFED C=CCOCCN[C@@H](C)c1cc(C)oc1C 303963393 ICFHMNVIPWOJSC-NSHDSACASA-N 223.316 2.750 30 20 BFED C#C[C@@H](NC1CCC2(CC1)CC2)C(C)C 308924264 CVWOYCIJEKOGTJ-CYBMUJFWSA-N 205.345 2.957 30 20 BFED C=CCC[C@H](NC[C@@]1(C)CCOC1)C1CC1 309493237 SRRQEQVCIBNPKH-UONOGXRCSA-N 223.360 2.747 30 20 BFED C[C@H](C#N)CN[C@H](C)C1CCC(F)(F)CC1 309766183 NTXOXKNQZYYOTG-NXEZZACHSA-N 230.302 2.950 30 20 BFED C=CCCN(C)C(=O)c1ccc2cc[nH]c2c1 310221446 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BFED Cc1ccc(C)c(N(C)CCO[C@@H](C)C#N)c1 801913080 OZTNHCUEFZQATD-ZDUSSCGKSA-N 232.327 2.668 30 20 BFED C#C[C@H](C)NC(=O)Nc1ccc2[nH]c(C)cc2c1 806257686 NTSTWQCKQKNHHB-VIFPVBQESA-N 241.294 2.620 30 20 BFED C=CCCC[C@H](C)NC(=O)C(C)(F)F 808466015 OOWNJICSLGOEEM-QMMMGPOBSA-N 205.248 2.503 30 20 BFED Cc1cccc(C=NOCCOC(C)C)c1 812237746 LGLPLMRXJKKUFZ-UHFFFAOYSA-N 221.300 2.771 30 20 BFED N#C[C@H]1CCCC(=NOCc2cccnc2)C1 814884530 ZTSRDPGCQFFBEW-NSHDSACASA-N 229.283 2.668 30 20 BFED CC[C@H](O)CNN=C(C)c1cccc(C2CC2)c1 814932605 LEGIXOBLCPRGGI-HNNXBMFYSA-N 246.354 2.649 30 20 BFED C=CCOCCN1Cc2ccccc2[C@H](C)C1 815013196 RFQTZQGZGAAYMG-CYBMUJFWSA-N 231.339 2.808 30 20 BFED CC[C@H](C#N)OC(=O)[C@@H]1CCCC[C@H]1C 820227279 QIAZKIYYFDJLRG-GMTAPVOTSA-N 209.289 2.658 30 20 BFED C[C@]1(COC(=O)c2cc(C#N)cs2)C[C@H]1F 822117588 BIZALKAZOIULJV-MWLCHTKSSA-N 239.271 2.525 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@@H](C)c1nccc(C)n1 822984213 YHZNHOTZSRNTSU-RYUDHWBXSA-N 247.342 2.565 30 20 BFED C#CC1CCN(C(=O)O[C@@H](C)CC(C)C)CC1 828110332 XKEMFJXYLDYCHL-LBPRGKRZSA-N 237.343 2.903 30 20 BFED COc1cc(C=O)ccc1OCC1(C#N)CCC1 828493093 ZYJMOHVXLXMOAW-UHFFFAOYSA-N 245.278 2.580 30 20 BFED CCC(=NN[C@@H]1CCSC1)c1ccsc1 834981166 ZVVAQOFKSBBDJZ-SNVBAGLBSA-N 240.397 2.957 30 20 BFED CC#CCCCC(=O)OC[C@H](CCC)OC 835542854 AGSPQWFDGFJVST-LBPRGKRZSA-N 226.316 2.538 30 20 BFED C=CC(C)(C)COC(=O)c1cnn(C)c1C1CC1 835726952 WDNYPTQHRAVQLR-UHFFFAOYSA-N 248.326 2.667 30 20 BFED C=C(CC)CNC(=O)N[C@H]1CC[C@H](SC)C1 836327707 GTUUNVAVOFUDDS-QWRGUYRKSA-N 242.388 2.536 30 20 BFED C#CCCCC(=O)N1CC(C)(CC(F)(F)F)C1 837185881 HDWQRKFALFUPRM-UHFFFAOYSA-N 247.260 2.591 30 20 BFED CCCCCC[C@@H](C)NC(=O)C#CC1CC1 837324479 HEKZZKZYYVKZHK-GFCCVEGCSA-N 221.344 2.875 30 20 BFED C=CCONC(=O)NC[C@@H](C)c1ccc(C)cc1 838708548 YZJFYTGOSLRDAU-GFCCVEGCSA-N 248.326 2.515 30 20 BFED C=C[C@H]1CCCCN1c1ncc2c(n1)CCCC2 840296074 XFTODIPTBSJKFX-ZDUSSCGKSA-N 243.354 2.900 30 20 BFED CCC(=NNc1ncncc1Cl)[C@H]1C[C@H]1C 841638908 XBIQAFKAVDKDOY-SFYZADRCSA-N 238.722 2.964 30 20 BFED C#CCC(C)(C)COC(=O)c1ccc(C)c(C)n1 842331786 YIONDHYRKUBWAV-UHFFFAOYSA-N 245.322 2.905 30 20 BFED CCCON=CCCc1ccc2c(c1)OCCO2 842554891 RQTHRWQFSPNUHZ-UHFFFAOYSA-N 249.310 2.803 30 20 BFED C#C[C@H](OC(=O)/C=C/C1CCCC1)C1CC1 842747108 RIWBHOQPMBJNQP-RSPDNQDQSA-N 218.296 2.688 30 20 BFED C=C(C)CON=C(C)c1cc(F)cc(F)c1O 844619330 XOTMUTFIEDETJL-UHFFFAOYSA-N 241.237 2.987 30 20 BFED C=C[C@H](C)ON=Cc1ncc(Cl)s1 844619581 BFAUBJGXPMJFBS-LURJTMIESA-N 216.693 2.722 30 20 BFED C=C[C@@H](C)ONC(=O)c1occc1C(C)C 846552878 RULSRSXOSADMPM-SECBINFHSA-N 223.272 2.639 30 20 BFED C=CC[C@H]1CCCN(C(=S)NC(C)(C)C)C1 849279875 KIXCNUPONDSDQA-NSHDSACASA-N 240.416 2.948 30 20 BFED CC[C@H](C#N)n1ccnc1[C@@H](O)C1CCCCC1 849949896 XGWLOGNPLQHOHP-OLZOCXBDSA-N 247.342 2.971 30 20 BFED Cc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)n1C 851211472 IECUIWCGABENIH-LLVKDONJSA-N 248.326 2.819 30 20 BFED ClC1(Cl)C[C@H]1C=NOCC1CCC1 853441515 ZPEDUUPOXDHPTD-QMMMGPOBSA-N 222.115 2.983 30 20 BFED C#CCOCCOc1cccc2ccc(C)nc12 853644347 KLTFKHQVVWSOFX-UHFFFAOYSA-N 241.290 2.572 30 20 BFED C#CCOCCOc1cc(F)ccc1Cl 853698846 UEVYAHVIFZESTL-UHFFFAOYSA-N 228.650 2.508 30 20 BFED C#C[C@H](CC)NC(=O)N[C@]1(C)CCCC[C@H]1C 854078047 GQTGDNSCUUFKME-YRGRVCCFSA-N 236.359 2.666 30 20 BFED C=CCC(F)(F)C(=O)N(C)C[C@H]1CC1(C)C 856460173 VRZGMSVDWANXLZ-SECBINFHSA-N 231.286 2.702 30 20 BFED C#Cc1ccc(C(=O)N2CCCC(F)(F)C2)cc1 864059775 QKWBPUFUWCWRKQ-UHFFFAOYSA-N 249.260 2.539 30 20 BFED Cc1cccc(C[C@@H](C)NCCCC#N)c1 866336348 PUJZXDQEDPKPRD-CYBMUJFWSA-N 216.328 2.819 30 20 BFED C=CC[C@H](C)[C@H](C)NCCC(C)(C)OC 866504612 LRIIDYRUXDPUND-RYUDHWBXSA-N 213.365 2.992 30 20 BFED c1ccc2nc(NN=C3CC[C@H]4C[C@@H]34)cnc2c1 872348427 GWLZMIXUKTUKSH-VHSXEESVSA-N 238.294 2.828 30 20 BFED C=C(Cl)Cn1cc(/C=C\C(C)C)nn1 881426355 DEUOSVDSNWYDMX-PLNGDYQASA-N 211.696 2.700 30 20 BFED CCCCCCCn1cc2c(n1)CC[C@H](O)C2 883006778 BYAFEUJWQSEDQH-ZDUSSCGKSA-N 236.359 2.703 30 20 BFED Clc1ccc(C#CCN2C[C@H]3C[C@H]3C2)cc1 886336569 SUEXKLCOJDEXGD-BETUJISGSA-N 231.726 2.643 30 20 BFED C=C1CCC(C(=O)N(CC)C(C)C)CC1 888316766 GADAVZAXRPIJCL-UHFFFAOYSA-N 209.333 2.990 30 20 BFED C=C1CCC(C(=O)N(CC)CCOCC)CC1 888856128 BYMRROCROJWBJU-UHFFFAOYSA-N 239.359 2.618 30 20 BFED C#CCC(C)(C)C(=O)Nc1cnn(C2CCC2)c1 889057076 OMVMWBCBUOUCFP-UHFFFAOYSA-N 245.326 2.596 30 20 BFED C=C(C)CN(CC)Cc1c(Cl)c(C)nn1C 891457712 WNWJMHALSTWMQS-UHFFFAOYSA-N 241.766 2.780 30 20 BFED C=C1CCC(C(=O)O[C@@H](C)Cn2cccn2)CC1 892829999 FDQACRJLEHEPDG-LBPRGKRZSA-N 248.326 2.561 30 20 BFED N#C[C@@H](NC(=O)CCCC1CC1)C1CCCC1 893709830 PYLXBSSCVBSPHZ-CYBMUJFWSA-N 234.343 2.765 30 20 BFED C=CC(C)(C)Cc1nc(Cc2cccnc2)no1 895985489 NTLMKLHQCMOVSZ-UHFFFAOYSA-N 243.310 2.810 30 20 BFED C=C1CN(C(=O)CCCC2CCCC2)C1 898698073 BVFAQTWFLPJCFT-UHFFFAOYSA-N 207.317 2.745 30 20 BFED Fc1ccc(C#CCN2CCC[C@@H](F)C2)cc1 902994844 JIYQMPWCXRSBQU-CQSZACIVSA-N 235.277 2.611 30 20 BFED CCCNN=Cc1ccc([C@H]2C[C@@H]2C)o1 915965304 FQSQIWVQUVSUDJ-ONGXEEELSA-N 206.289 2.737 30 20 BFED CC(C)CNN=C/C=C/c1ccccc1[N+](=O)[O-] 916365680 GODOMOJBGRRHAB-XJJKTUPUSA-N 247.298 2.839 30 20 BFED CC(C)Cc1ccc(C(=O)OCC#N)cc1 916530905 OZXFYNLDNPBZOD-UHFFFAOYSA-N 217.268 2.565 30 20 BFED CC(C)(C#N)CCOC(=O)[C@@]12CCC[C@@H]1C2 924432678 MVKHFCAWPNECJB-ZWNOBZJWSA-N 221.300 2.660 30 20 BFED C=CC[C@@H](CO)CN[C@H]1CCc2cccc(C)c21 925696259 JWQNFHMBYHPHIW-HIFRSBDPSA-N 245.366 2.757 30 20 BFED CCN(CCC#N)Cc1cccc(OC)c1C 929774400 NKOIXVPVABIYDG-UHFFFAOYSA-N 232.327 2.739 30 20 BFED C=C[C@H](CC)CC(=O)N1CCS[C@H](CC)C1 933801349 ITYIVDWLAMCTHP-VXGBXAGGSA-N 241.400 2.943 30 20 BFED N#CCOc1ccc(NC(=O)C2=CCCC2)cc1 1116270706 HPKGLDXQYIAYJZ-UHFFFAOYSA-N 242.278 2.638 30 20 BFED N#Cc1sc(NC/C=C\Cl)nc1Cl 1187824146 PBLMOBUPJCUBTJ-UPHRSURJSA-N 234.111 2.833 30 20 BFED C=CCC[C@H](OC(=O)[C@H]1C[C@@H]1F)C1CC1 1263418619 LXUOTHOEOJKVEI-DCAQKATOSA-N 212.264 2.632 30 20 BFED C=CCCC[C@H](C)NC(=O)c1ccnc(OC)c1 1319830091 WBVPAFVDJVAAFN-NSHDSACASA-N 248.326 2.565 30 20 BFED C=CCCOC(=O)C(C)(C)Oc1ccccc1 1320467402 ZNWGKAUHWOVIPR-UHFFFAOYSA-N 234.295 2.963 30 20 BFED C#CCOCCN(C)Cc1ccc(CCC)cc1 1320698113 SSXVWYDQBYMPAP-UHFFFAOYSA-N 245.366 2.721 30 20 BFED C=CCCc1nnc(-c2ccc(C)o2)o1 1322434602 AIIMASQRMHWRIJ-UHFFFAOYSA-N 204.229 2.757 30 20 BFED N#Cc1cc(C(=O)NC[C@H]2CC=CCC2)cs1 1324428179 DRLATGQXZNJYRB-JTQLQIEISA-N 246.335 2.706 30 20 BFED CC[C@H](C=Nn1nnc(C)c1C)c1ccccc1 1330882032 AKPUSYGGSHVUNF-CYBMUJFWSA-N 242.326 2.923 30 20 BFED Cc1nnn(N=C[C@@H]2C[C@H]2c2ccccc2)c1C 1331982400 BRZFHXQONPNWOI-KBPBESRZSA-N 240.310 2.533 30 20 BFED C=CCN(C(=O)c1ccc(C#N)cc1F)C(C)C 1335767189 YKWAXEJXVBOUJV-UHFFFAOYSA-N 246.285 2.734 30 20 BFED N#C[C@H](NC(=O)CCC(F)(F)F)C1CCCC1 1338216611 RGPRMYBKNGMHQO-VIFPVBQESA-N 248.248 2.527 30 20 BFED C=C(C)CCC(=O)NCCOc1ccccc1C 1338799888 SQODULFXMLLNEJ-UHFFFAOYSA-N 247.338 2.846 30 20 BFED C#CC[C@@H](C)OC(=O)[C@@H](C)OCCCCCC 1344673891 YZXCYTMYXFDRKW-CHWSQXEVSA-N 240.343 2.927 30 20 BFED C=C(CC(C)C)C(=O)N[C@@H](C)c1cn(C)nc1C 1346406002 WLLHXNQVZFWHAM-NSHDSACASA-N 249.358 2.508 30 20 BFED Cc1c(O)cccc1C(=O)OCC1(CC#N)CC1 1346751704 RENRNYQKHQDPFH-UHFFFAOYSA-N 245.278 2.551 30 20 BFED C=C(CC)C(=O)NCCCCCSC 1348253185 ROYFCFQRQHYAIX-UHFFFAOYSA-N 215.362 2.602 30 20 BFED C=C(CC)C(=O)NC[C@@H]1CCC[C@@H](C)C1 1348570852 SKBWUZYWWYKUPM-ZYHUDNBSSA-N 209.333 2.895 30 20 BFED C=CCC[C@@H](CCC)NCC[C@H](C)NC 1348851925 HUWGIMUHZOJGRK-QWHCGFSZSA-N 212.381 2.709 30 20 BFED C=CC(C)(C)CC(=O)O[C@@H](C#N)C(C)C 1523933229 IPSYQBMQFTWYKH-JTQLQIEISA-N 209.289 2.680 30 20 BFED C=C(Cl)CN1Cc2ccccc2CO1 1560086371 CYUOVEYRPLESEG-UHFFFAOYSA-N 209.676 2.686 30 20 BFED N#Cc1cc(Cl)ccc1CSCC(=O)O 1574790891 RGWSDULIUUSOBR-UHFFFAOYSA-N 241.699 2.529 30 20 BFED C=C(C)CSCc1cncc(C(=O)O)c1 1588576976 JIYUUINJOGZAAR-UHFFFAOYSA-N 223.297 2.589 30 20 BFED C=CC[C@@H]1CCN1[C@@H](C(=O)O)c1ccccc1F 1602855133 ICXDDOTVIRLZNV-ZWNOBZJWSA-N 249.285 2.602 30 20 BFED CC[C@@H](C)CN1CC(Oc2ccc(C#N)cc2)C1 1658298494 CHIQWLKWGBTTAL-GFCCVEGCSA-N 244.338 2.667 30 20 BFED O=C(O)CN=C(c1ccccc1)c1ccccc1 44224955 BLOBPFFXHQZDGL-UHFFFAOYSA-N 239.274 2.609 30 20 BFED CCOc1ccc(C(=O)N[C@@H](CC)CC#N)cc1 54177333 LLEFAAFLQSFJFW-LBPRGKRZSA-N 246.310 2.507 30 20 BFED CC[C@H](CC#N)NC(=O)c1cc(C)ccc1F 54177464 DNLBZRJKEKMDMN-SNVBAGLBSA-N 234.274 2.556 30 20 BFED C[C@@H]1CCCC[C@@H]1CNc1nccnc1C#N 54378120 IKBJEJIBOTYESA-GHMZBOCLSA-N 230.315 2.586 30 20 BFED CC[C@@H](C#N)C(=O)NCC[C@H](C)c1ccccc1 61911204 BFCYSBLCTSGALK-STQMWFEESA-N 244.338 2.846 30 20 BFED C#CCOC(=O)c1ccc(SC(C)C)cc1 62393544 YAOUNSRORXMMDW-UHFFFAOYSA-N 234.320 2.977 30 20 BFED C=C(C)CN(CC)C(=O)COCc1ccccc1 71781056 VJBWPHFBGRLBPM-UHFFFAOYSA-N 247.338 2.628 30 20 BFED C#CCN1C[C@H](C)C[C@H]1c1cccc(F)c1 75843140 WTECMLSUUOLHNT-RISCZKNCSA-N 217.287 2.842 30 20 BFED CC(C)(C#N)C(=O)Oc1ccc(Cl)cc1 78743598 XOBSWYYGHYWGBH-UHFFFAOYSA-N 223.659 2.795 30 20 BFED C=CCNC(=O)N[C@H](C)Cc1cc(C)cc(C)c1 80599546 MUCGVKMAOMLRFN-CYBMUJFWSA-N 246.354 2.720 30 20 BFED N#Cc1ccc(N[C@H]2CCCOCC2)cc1 83424466 YHXLDMKKBXFHAJ-LBPRGKRZSA-N 216.284 2.539 30 20 BFED N#CCC1(CN2CCc3ccccc3CC2)CC1 88259565 SQQQPTFBRAFOKC-UHFFFAOYSA-N 240.350 2.781 30 20 BFED CCCCCCCC(=O)NC[C@H](CC)C(=O)O 114923019 FSNSPSKOGGBFMA-NSHDSACASA-N 243.347 2.574 30 20 BFED C=CC[C@@H](C)NC(=O)N1Cc2ccccc2C1 116971984 BJZPHWNDAAZLHC-LLVKDONJSA-N 230.311 2.676 30 20 BFED C=CCCCN(CCCO)CC(C)(C)C 117881199 MBESISNTYGYGAL-UHFFFAOYSA-N 213.365 2.683 30 20 BFED C=C(C)CNC(=O)c1ccc(N(CC)CC)cc1 123072874 NLHQIBKVWXOGTF-UHFFFAOYSA-N 246.354 2.839 30 20 BFED C=C[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] 129283879 VXLMHHPYXIPMPG-SSDOTTSWSA-N 210.208 2.720 30 20 BFED C#CCSCCN[C@H](C)Cc1ccsc1 130001774 ORFSEXARCSUJJE-LLVKDONJSA-N 239.409 2.635 30 20 BFED Cc1cc(C)c(C#N)c(N2CCC3(CCC3)C2)n1 131256644 PFBYECMRASLWJA-UHFFFAOYSA-N 241.338 2.951 30 20 BFED C=CCNC(=O)c1ccc(F)cc1C(F)(F)F 131473803 DSWWLLHWKJQMDI-UHFFFAOYSA-N 247.191 2.760 30 20 BFED C[C@H](Nc1cccc(F)c1C#N)[C@H]1CCOC1 135252699 QMIKJAJJKUIWHG-UWVGGRQHSA-N 234.274 2.534 30 20 BFED N#Cc1nn(CCC(F)(F)F)c2ccccc12 144824138 TWNGVWDSARASMT-UHFFFAOYSA-N 239.200 2.860 30 20 BFED CC[C@@H](c1ccc(F)cc1F)N(C)CC#N 154549620 VVJMWMNWCDFCRK-LBPRGKRZSA-N 224.254 2.871 30 20 BFED CC#CCCSc1nnc(-c2ccncc2)o1 155072280 GOMKWHSEUAVFOM-UHFFFAOYSA-N 245.307 2.637 30 20 BFED C#CCCCCNC(=O)c1ccccc1Cl 156401633 MPFIWSNZEHLEGH-UHFFFAOYSA-N 235.714 2.873 30 20 BFED Cn1ccnc1SCc1ccc(F)c(C#N)c1 158038418 AVFGTTNNSYGBNX-UHFFFAOYSA-N 247.298 2.723 30 20 BFED CC(C)N(C)Cc1ccc(N(C)CCC#N)cc1 158728622 IJLVMWGUNKWLSH-UHFFFAOYSA-N 245.370 2.877 30 20 BFED C=CCN(C)C(=O)CCCc1ccccc1 161682951 FVPYXTFLMPXELX-UHFFFAOYSA-N 217.312 2.654 30 20 BFED C=CCCNC(=O)c1csc2c1CCCC2 162177183 MVMGGNBLGAVISX-UHFFFAOYSA-N 235.352 2.933 30 20 BFED CC(C)[C@](C)(O)CN[C@H](C)c1ccc(C#N)cc1 164528618 NEAJPLWEOCFBMZ-IUODEOHRSA-N 246.354 2.616 30 20 BFED Cc1nnc(SCc2ccc(C#N)cc2C)o1 165999464 GUXIJVDEJDVZBR-UHFFFAOYSA-N 245.307 2.850 30 20 BFED C=CCCNc1c(C)cccc1[N+](=O)[O-] 168871298 JTALZDWMAZSTCC-UHFFFAOYSA-N 206.245 2.891 30 20 BFED C=C(Br)CN(C)C[C@H](C)CC 171884326 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BFED C=CCSCCNC(=O)[C@H](C)[C@H](C)CC 183503549 CZUALNNXRGKNPP-GHMZBOCLSA-N 229.389 2.704 30 20 BFED C#CCC(C)(C)C(=O)Nc1cc(C#N)ccc1C 185332594 UNJCXMYPNQGKBM-UHFFFAOYSA-N 240.306 2.855 30 20 BFED C=CCSCCN[C@@H]1CCC[C@@H](C#N)C1 185895908 HJYNEJRZSULQQK-VXGBXAGGSA-N 224.373 2.578 30 20 BFED C=CC[C@H](C(=O)NCC1CC1)c1ccccc1 187004361 WSEPEEYFOHBMEZ-AWEZNQCLSA-N 229.323 2.873 30 20 BFED C=C(C)CNC(=O)NC1C[C@@H](C)C[C@H](C)C1 187838213 QWZIZJVSUSENKT-QWRGUYRKSA-N 224.348 2.686 30 20 BFED C=CCC1(C(=O)N2CCC[C@H]2C)CCC1 188481545 WWBMQKAFFKHALO-LLVKDONJSA-N 207.317 2.744 30 20 BFED C=C(C)CN(C)Cc1ccc(N(C)C(C)C)nc1 191458754 IVCRLZXYRHMZBM-UHFFFAOYSA-N 247.386 2.934 30 20 BFED C#CCCCC(=O)N(C)Cc1cccc(F)c1 192068671 AFFHMCVJZUUKOE-UHFFFAOYSA-N 233.286 2.588 30 20 BFED C#CCCCC(=O)N[C@H]1CCCc2occc21 192300064 GUCLNDPRGLSEDG-LBPRGKRZSA-N 231.295 2.577 30 20 BFED Cc1cncc(N[C@@H]2CCC[C@@H](C#N)C2)c1 193102397 HMNDHEJLWMHQQF-VXGBXAGGSA-N 215.300 2.884 30 20 BFED Cc1nn(C)cc1C(=O)/C=C\c1ccccc1 209169053 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CCN(CC#N)Cc1c(C)cccc1Cl 296977167 DLPUCPJHZHJDDK-UHFFFAOYSA-N 222.719 2.994 30 20 BFED C#Cc1cccc(N(C)CC2CCC(=O)CC2)c1 297031824 HJEDFTIXPCPMQI-UHFFFAOYSA-N 241.334 2.863 30 20 BFED CC/C=C(\C)C(=O)NCC#Cc1ccccc1 298613392 VSFJREMQVYFULK-MDWZMJQESA-N 227.307 2.511 30 20 BFED CSc1ccccc1C(=O)N(CC#N)C1CC1 299439298 DQIQPWBUMGFXQL-UHFFFAOYSA-N 246.335 2.537 30 20 BFED C[C@@]1(CO)CCC[C@@H]1Nc1ccc(C#N)cc1 301469383 RVJMSBZZVXLXQM-KBPBESRZSA-N 230.311 2.521 30 20 BFED C=CCCCCNc1ncc(C)c(C)n1 302234740 DSXWBPPFONEUTJ-UHFFFAOYSA-N 205.305 2.862 30 20 BFED CCCC[C@H](C)N(C)c1cc(C#N)nc(C)n1 308186744 JTAUPHKXIAQTFE-JTQLQIEISA-N 232.331 2.672 30 20 BFED Cc1cc(N2CCc3ccccc3C2)cc(C#N)n1 308270574 JTQAZQXLLDVPPI-UHFFFAOYSA-N 249.317 2.824 30 20 BFED C=C(C)CNC[C@@H]1C[C@H]1c1ccccc1 309009929 RIMNBSNMLGJXLO-KBPBESRZSA-N 201.313 2.956 30 20 BFED C=CC[C@H](C)N[C@@H]1CCC[C@@H]1CCOC 309055391 UERZAPWPZGDRHQ-YNEHKIRRSA-N 211.349 2.746 30 20 BFED Nc1ccc(C=NOCC(F)F)c(Cl)c1 309081797 QSGNFFPWZRUENK-UHFFFAOYSA-N 234.633 2.538 30 20 BFED CC[C@H]1CCC[C@@H]1Nc1ccnc(C#N)c1 309704742 OALMFYUQQROHOG-GWCFXTLKSA-N 215.300 2.944 30 20 BFED C=CCOCCCN[C@@](C)(CC)C(F)(F)F 310016706 LDRJXLMHQBZTOA-JTQLQIEISA-N 239.281 2.900 30 20 BFED CC[C@H](C)C[C@@H](C)/N=C(/O)N=c1cc[nH]c(C)c1 330599423 XMDSXOJKHRISFY-CMPLNLGQSA-N 249.358 2.963 30 20 BFED C=C[C@@H](C)NC(=O)[C@H]1CC2CCC1CC2 334436364 GRQJIRZWJRTCQH-YYJSSNLHSA-N 207.317 2.503 30 20 BFED CC[C@](C)(C#N)C(=O)NC1CCC(F)(F)CC1 334539124 RNAOOLRRQBJASQ-LLVKDONJSA-N 244.285 2.620 30 20 BFED COc1cc(N[C@H]2CC[C@@H](C#N)C2)ccc1F 334559976 PCVDSTXEZSVFAU-ZJUUUORDSA-N 234.274 2.938 30 20 BFED C[C@@H]1C[C@H](NCc2cc(C#N)cs2)CS1 334851423 CGWQBOMSFDXHPL-SCZZXKLOSA-N 238.381 2.603 30 20 BFED CN(CC1(C#N)CC1)[C@H]1CCC(C)(C)C1 334857159 SCGQOKTYQJENRI-NSHDSACASA-N 206.333 2.801 30 20 BFED CC[C@H]1[C@@H](C)CCN1C(=O)CC(C)(C)C#N 335102440 NTOFHDAGPBQQRE-QWRGUYRKSA-N 222.332 2.573 30 20 BFED C[C@H]1C[C@]1(C#N)C(=O)N1CCCc2ccccc21 335428153 KYLYPFJNVUYHHX-XHDPSFHLSA-N 240.306 2.516 30 20 BFED C[C@@H]1CC[C@H]1NC(=O)N1CCC(CCC#N)CC1 335429767 PKZAJELRFVFXFK-DGCLKSJQSA-N 249.358 2.510 30 20 BFED N#CC1(NC(=O)C2CC3(CCC3)C2)CCCCC1 335474988 SEBDSRNKCLLAEN-UHFFFAOYSA-N 246.354 2.909 30 20 BFED C=C[C@H]1CCCCN1c1ccc2c(n1)CCC2=O 335491919 QWXOCWBIDXRUHM-NSHDSACASA-N 242.322 2.755 30 20 BFED C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CF 335594547 GKJLZAULIJRLQV-SNVBAGLBSA-N 213.296 2.549 30 20 BFED C[C@@H]1CCCN(C(=O)NCC2(CC#N)CC2)[C@@H]1C 335697741 LVKUUHVTOCHWSN-VXGBXAGGSA-N 249.358 2.510 30 20 BFED CN1CC[C@H](CSc2ccccc2C#N)C1 336063097 GDOFQYHFNQUBLR-NSHDSACASA-N 232.352 2.602 30 20 BFED Cc1cc[nH]c1C(=O)Nc1cccc(C#N)c1C 336154503 FIXNANIIEBHSNS-UHFFFAOYSA-N 239.278 2.756 30 20 BFED C[C@@H]1C[C@@]1(C#N)C(=O)NCC1(C)CCCCC1 336197306 OZOHSNZDGISDSJ-RISCZKNCSA-N 234.343 2.623 30 20 BFED C[C@@H]1C[C@]1(C#N)C(=O)N1CCC(C)(C2CC2)CC1 336298185 SJRSDWUKEMHYDI-IAQYHMDHSA-N 246.354 2.575 30 20 BFED C[C@@H]1C[C@]1(NC(=O)CC#N)c1ccc(Cl)cc1 336339867 XFLUQTCBDNHLMR-NOZJJQNGSA-N 248.713 2.605 30 20 BFED 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30 20 BFED C=CCCC[C@H](C)NC(=O)NC1(CF)CCC1 645416017 OXFXWVQVXXOTIC-NSHDSACASA-N 242.338 2.923 30 20 BFED C=CCC(C)(C)C(=O)N1C[C@H](CC)OC[C@H]1C 650472620 HOZMWPXTNWZUAB-NEPJUHHUSA-N 239.359 2.615 30 20 BFED C=CCC(C)(C)c1noc(/C=C(\C)COC)n1 650615616 TUODKMFFGMALHR-CSKARUKUSA-N 236.315 2.973 30 20 BFED C=C(C)CCNC(=O)N1CC[C@@H](c2ccco2)C1 653056266 INCMONABWOUSNG-GFCCVEGCSA-N 248.326 2.745 30 20 BFED C=CC[C@H]1CCCC[C@@H]1NC1CCOCC1 657847194 VPWPQXFOAZTKOF-JSGCOSHPSA-N 223.360 2.890 30 20 BFED CCC#C[C@@H](C)N[C@H]1CCCC12CCOCC2 669696000 RKFJCWOTRRXBBD-KGLIPLIRSA-N 235.371 2.727 30 20 BFED C#CCN(C(=O)[C@H](CC)CC(F)(F)F)C(C)C 688843646 IRQRCPHLNPSZTK-SNVBAGLBSA-N 249.276 2.835 30 20 BFED C#CCCCCC(=O)N[C@H](C)CC(F)(F)F 692933611 LPLNBVPLGLGCGK-SECBINFHSA-N 235.249 2.637 30 20 BFED N#Cc1ccc(CN[C@@H]2C=CCC2)c(F)c1 700504526 GEJCZJQGIUYGRL-GFCCVEGCSA-N 216.259 2.506 30 20 BFED C#C[C@H](N[C@H]1C[C@H](OCC)C12CCC2)C(C)(C)C 702254851 FWYIYVRFSNCGPI-IHRRRGAJSA-N 249.398 2.972 30 20 BFED 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C=C(Cl)CNC(=O)[C@H](F)c1ccccc1 769000473 BJJLCSVLTIYVQT-SNVBAGLBSA-N 227.666 2.566 30 20 BFED C#CCN(CC)Cc1ccc2c(c1)CC(C)(C)O2 769105561 NLLZLDJSVSVPOJ-UHFFFAOYSA-N 243.350 2.855 30 20 BFED C#CCOc1ccccc1CN1CCC(C)(C)C1 769399931 YWWQHXKHBDWLNX-UHFFFAOYSA-N 243.350 2.931 30 20 BFED C=CC[C@@H](C)NC(=O)[C@@H](F)c1ccccc1 769441083 DKAADOGAFOFPCA-PWSUYJOCSA-N 221.275 2.778 30 20 BFED CC1(C)CCC[C@@H]1C(=O)OCCCC#N 772611472 XZAOEWXMVQCFPC-SNVBAGLBSA-N 209.289 2.660 30 20 BFED C=C(CC)COC(=O)CCCc1ccccn1 773522768 LGHNAVJUBABZKW-UHFFFAOYSA-N 233.311 2.914 30 20 BFED C#CCN(CC)C(=O)NCC(C(C)C)C(C)C 775006543 ICXFHZVJRVXTQR-UHFFFAOYSA-N 238.375 2.579 30 20 BFED C=CCCC[C@@H](C)NC(=O)NOC1CCCC1 775756450 CFTHNJYBWDJPAA-LLVKDONJSA-N 240.347 2.905 30 20 BFED Cc1ccc(CC(=O)OCC2(C#N)CC2)cc1C 775831164 IITXEGKVBXRKCU-UHFFFAOYSA-N 243.306 2.693 30 20 BFED N#Cc1ccc(OCCCN2CC=CCC2)cc1 778970311 CTNYJFXTHUVSIG-UHFFFAOYSA-N 242.322 2.589 30 20 BFED CO[C@H]1CCCCC1=NNc1ccnc(F)c1 781127955 RRDRFOQECZQBMQ-NSHDSACASA-N 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30 20 BFED C=CCC(C)(C)C(=O)Nc1cnn(CCC)c1 814117632 JKLUKTJZRPEVGN-UHFFFAOYSA-N 235.331 2.834 30 20 BFED c1ccc(C[C@H]2CCC(=Nn3cnnc3)C2)cc1 814682766 OJBSXCGNGMTUFF-CYBMUJFWSA-N 240.310 2.525 30 20 BFED CC(C)(C#N)[C@H]1CCCC1=NNc1cccnn1 814852724 MHMQVIODUROFAC-JTQLQIEISA-N 243.314 2.594 30 20 BFED C#C[C@@H](CCC)NC(=O)[C@H](CC)CCC 822395992 HSNVUECLSQEQGY-NEPJUHHUSA-N 209.333 2.731 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1conc1C 823752464 MFEVDDCJQHLOIE-VIFPVBQESA-N 208.261 2.524 30 20 BFED CC(C)(C)CCNC(=O)C#Cc1cccs1 824959322 DFLRVIZZAFGLQH-UHFFFAOYSA-N 235.352 2.652 30 20 BFED C#Cc1cnc(NC[C@H]2CCC[C@H](C)C2)nc1 827446927 KXCDNFUARLSUCV-AAEUAGOBSA-N 229.327 2.696 30 20 BFED CC(C)C#CC(=O)N[C@H](C)CCC(C)(C)C 828225089 RFAITZNHJRXYGM-GFCCVEGCSA-N 223.360 2.977 30 20 BFED C#C[C@H](CC)NC(=O)C1[C@@H]2CCCCCC[C@@H]12 834380893 BRIUPHPKOUSQOV-JHJVBQTASA-N 233.355 2.731 30 20 BFED CC(C)CC[C@@H]1CCC(=NN[C@@H](C)CO)C1 834963587 DUSSMOLOPAIZCH-NWDGAFQWSA-N 226.364 2.549 30 20 BFED 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C#CC(=O)N1CCC[C@@H]1CCCc1ccccc1 754085930 SNAMJOVOILCEHE-HNNXBMFYSA-N 241.334 2.634 30 20 BFED C#C[C@@H](CC)NC(=O)C[C@@H]1CCc2ccccc21 754378872 AEIQOYYIQMTIAZ-KBPBESRZSA-N 241.334 2.635 30 20 BFED COc1cc(C(=O)O)ccc1NN=C1CCCC1 756906223 VRXSSGJYRWAVJN-UHFFFAOYSA-N 248.282 2.735 30 20 BFED C=CCCC(=O)O[C@H](C)c1ccncc1 757698368 UAPHTTYYBSTUNY-SNVBAGLBSA-N 205.257 2.652 30 20 BFED C1C[C@H]2[C@@H]3C[C@H](CC3=NNC3CC3)[C@H]2C1 758128129 WABDXQNEWIFEOI-HKWIRBFKSA-N 204.317 2.551 30 20 BFED CCCCCCCC(=O)N(C)CC1(O)CCC1 760074386 XCBXDCHRJYRIQQ-UHFFFAOYSA-N 241.375 2.720 30 20 BFED C#CCCc1noc(C(F)(F)c2ccccc2)n1 762015167 XRKUERANFHMFLE-UHFFFAOYSA-N 248.232 2.776 30 20 BFED CCC(C)=NNc1cc(C#N)cc(Cl)n1 768382572 UZFZXXZIUBCJNL-UHFFFAOYSA-N 222.679 2.804 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)[C@H](F)c1ccccc1 769369160 KFGRKKFQULKTDZ-WCQYABFASA-N 248.301 2.705 30 20 BFED CC(CN1CCCCCC1)=NNC1CCCC1 777440424 JDDQWMBEUGXGCQ-UHFFFAOYSA-N 237.391 2.771 30 20 BFED C=CCCCOC(=O)[C@H]1CCO[C@H](CC)C1 780138263 AOXXLHZZWMBUMI-NWDGAFQWSA-N 226.316 2.701 30 20 BFED C[C@H]1C[C@H](C)CCC1=NNc1ncc(F)cn1 783861702 GDQALZZTNWMOIH-BDAKNGLRSA-N 236.294 2.840 30 20 BFED C=C[C@@H]1CCCCN1C[C@H](O)c1ccccc1 785996169 BNLLHZZVOHYYMI-CABCVRRESA-N 231.339 2.761 30 20 BFED CC[C@@H]1CC(=NNC2CCCCC2)CCO1 786043294 MMHQQHAPXRJHQN-CYBMUJFWSA-N 224.348 2.854 30 20 BFED CC(=NN[C@H]1CCOC1)c1ccc(C(C)C)cc1 788445975 LCBLAMACRNWJBL-HNNXBMFYSA-N 246.354 2.913 30 20 BFED Oc1cccc(C=NNc2cccc(Cl)n2)c1 793180904 FKPNSEPQYGQURY-UHFFFAOYSA-N 247.685 2.887 30 20 BFED CSCCON=Cc1ccc2ccccc2n1 794574323 BLIKGWKNWCPZDK-UHFFFAOYSA-N 246.335 2.948 30 20 BFED CC[C@@](C)(C#N)C(=O)OCc1ccccc1F 796836420 YAADNPJULSQYKU-ZDUSSCGKSA-N 235.258 2.809 30 20 BFED C=CCOCCOC(=O)CCC(C)(C)C 797323716 MSKLQFCFEFHLDI-UHFFFAOYSA-N 214.305 2.559 30 20 BFED C#C[C@@H](NC(=O)C[C@@H](CC)C(C)C)C(C)C 799047252 YYVJOAOTGUXCOE-CHWSQXEVSA-N 223.360 2.833 30 20 BFED COc1nccnc1NN=C[C@@H](C)CC(C)C 799113723 UFUUCHXTFWXGSN-JTQLQIEISA-N 236.319 2.565 30 20 BFED CC(=NNc1ccc(C)cc1)c1cc(C)n(C)n1 799864082 JQCVPKLPIUHFGS-UHFFFAOYSA-N 242.326 2.873 30 20 BFED CC#CC(=O)Nc1c(C)cc(OC)c(C)c1C 805292590 OUQOEWYEOASMJP-UHFFFAOYSA-N 231.295 2.582 30 20 BFED C#CCCCNc1cnn(-c2ccccc2)c1 809189123 BNOSXHWPPRTNSR-UHFFFAOYSA-N 225.295 2.698 30 20 BFED C#CCOC(=O)c1cc2cc(C)ccc2s1 810537994 QFWVPFNKTBULPN-UHFFFAOYSA-N 230.288 3.000 30 20 BFED C=CCCCCOC(=O)C[C@H]1CCC(=O)[C@H]1C 811013463 WSNWXYMXUHNRTE-NWDGAFQWSA-N 238.327 2.891 30 20 BFED FCC[C@H]1CCCC1=NNC[C@@H]1CCSC1 811661919 WUPRYHQRCSQAQM-WDEREUQCSA-N 244.379 2.845 30 20 BFED C#CCON=C(C)CCCC(F)(F)F 812236715 WEMIXXXBINWLGZ-UHFFFAOYSA-N 207.195 2.745 30 20 BFED C#CCONC(=O)[C@H](CC)CC1CCCCC1 812784937 OSAJWHAJLLOAHT-CYBMUJFWSA-N 237.343 2.664 30 20 BFED C#CCCNc1cnc(-c2ccccc2)cn1 813594004 IEPDJARGCUPIFA-UHFFFAOYSA-N 223.279 2.579 30 20 BFED CC(C)CCC=NNc1ccc(Cl)nn1 814698262 XCAISVWWRORVFD-UHFFFAOYSA-N 226.711 2.964 30 20 BFED C=C[C@@H](CC)CC(=O)NCc1occc1C 820285438 GKIJWRSSRHRIGN-NSHDSACASA-N 221.300 2.807 30 20 BFED Nc1ccc(/C=C/C(=O)c2ccc(F)cc2)cn1 821026863 ACOWWSDKGNNSSO-LREOWRDNSA-N 242.253 2.699 30 20 BFED C#C[C@@H](NCCC1=CCCCC1)[C@H]1CCCO1 828953857 LTVJMGQRESLGQW-HUUCEWRRSA-N 233.355 2.647 30 20 BFED C#C[C@H](CC)NC(=O)C1[C@H]2CCCCCC[C@H]12 834380891 BRIUPHPKOUSQOV-AGIUHOORSA-N 233.355 2.731 30 20 BFED CCCC(CCC)=NNc1ccncn1 835001400 IBFKTHGUTNXSKL-UHFFFAOYSA-N 206.293 2.845 30 20 BFED C#CCNN=C1CC(C)(C)CC(C)(C)C1 835009112 UMMMBAWSEQNJQA-UHFFFAOYSA-N 206.333 2.802 30 20 BFED C[C@H]1SCCC1=NNc1ncc(F)cc1F 835024091 XXWHFVPMYCZVTG-ZCFIWIBFSA-N 243.282 2.653 30 20 BFED C=C(C)CCOC(=O)c1cccc(CN(C)C)c1 835190493 WSEDZPZQEQMXGL-UHFFFAOYSA-N 247.338 2.871 30 20 BFED C=CC(C)(C)COC(=O)c1cc(C(C)=O)cn1C 835725441 XZOVXJIXAGGDES-UHFFFAOYSA-N 249.310 2.597 30 20 BFED CC(C)(C)C#CC(=O)NC1(C(F)F)CCCC1 837655284 DQNCDUKGWSUNDX-UHFFFAOYSA-N 243.297 2.730 30 20 BFED CC#CCCCC(=O)O[C@@H]1CCC[C@H](C#N)C1 839049497 GCOGFTKLLFUFEF-QWHCGFSZSA-N 233.311 2.806 30 20 BFED Cc1c(NCCO[C@@H](C)C#N)ccc(F)c1F 841705404 PKUXCBJRSKBJTO-QMMMGPOBSA-N 240.253 2.614 30 20 BFED CC(C)C1CCC(=NN(C)[C@H](C)CO)CC1 842540556 LWMHRLBWQWAPKK-JHJMLUEUSA-N 226.364 2.501 30 20 BFED CCCON=C(C)c1ccccc1OC 842566163 VKXUSVXZFLKDOY-UHFFFAOYSA-N 207.273 2.846 30 20 BFED C[C@H](CC#N)OC(=O)[C@]1(C)CCc2ccccc21 842717354 SVXIPEVGHKMTGR-IAQYHMDHSA-N 243.306 2.736 30 20 BFED C=C[C@H](C)ON=C(C)c1cncc(C)c1 844624687 IZGNMOPKVIAOGQ-JTQLQIEISA-N 204.273 2.705 30 20 BFED Cc1cccc(CCOC(=O)CCCC#N)c1 847741489 OUAQZYPALXDDMD-UHFFFAOYSA-N 231.295 2.775 30 20 BFED CC[C@H]1CCC1=NNc1ccc(CC(=O)O)cc1 848415355 ZTQTUDUNQWXDAH-NSHDSACASA-N 246.310 2.902 30 20 BFED C[C@@H](CC(C)(C)C#N)OC(=O)C(C)(C)C 851214245 XMFMDJWFDWKRCB-VIFPVBQESA-N 211.305 2.904 30 20 BFED C=CC[C@H]1CCCN(C(=O)N[C@@H]2C=CCC2)C1 852505237 SHJGVOXWSCDYNI-QWHCGFSZSA-N 234.343 2.703 30 20 BFED C[C@@H]1CCCCN1N=Cc1cccc(O)c1 853378549 GGNDZJFYECXRAF-LLVKDONJSA-N 218.300 2.601 30 20 BFED C[C@@H]1CC(=NNc2ccc(Cl)cn2)[C@@H](C)O1 853435350 NZLWKGKOLZCXRG-HTQZYQBOSA-N 239.706 2.700 30 20 BFED C=C(Cl)COc1ccccc1COC 853719007 HLNCBXGSWMITEW-UHFFFAOYSA-N 212.676 2.964 30 20 BFED Cc1cc(C)cc(CNC(=O)C#CC(C)C)c1 855614484 KRMMEJNVLVMXFS-UHFFFAOYSA-N 229.323 2.579 30 20 BFED C#CCCOC(=O)N1CC[C@@H]1c1cccc(F)c1 859041070 HIUYLKWGOHRUBX-CYBMUJFWSA-N 247.269 2.732 30 20 BFED C#CCCOC(=O)/C=C\c1cccc(OCC)c1 860025052 FYXPNESZLXSSJD-KTKRTIGZSA-N 244.290 2.665 30 20 BFED CCCCCCCNC(=O)c1n[nH]c2c1CCC2 862360557 QKSHFVNTZIJXFB-UHFFFAOYSA-N 249.358 2.599 30 20 BFED Fc1ccc(F)c(C=NNC2CC2)c1Cl 863106927 WRXIVEZICNLPCS-UHFFFAOYSA-N 230.645 2.704 30 20 BFED N#Cc1ccc(NC(=O)N[C@@H]2CC23CCC3)cc1 871762215 KOCIZMAOLLURAO-GFCCVEGCSA-N 241.294 2.622 30 20 BFED Cc1ccc(F)c(NN=CC2CCN(C)CC2)c1 872357198 VFFJDOORMJULEA-UHFFFAOYSA-N 249.333 2.874 30 20 BFED COc1ccc2cc(C=NN3CCC3)ccc2c1 872395896 JAYQFJMTQAHXEI-UHFFFAOYSA-N 240.306 2.888 30 20 BFED CCCCCCCCn1cc(C#N)nn1 882169816 YBORBRCNJWHSHO-UHFFFAOYSA-N 206.293 2.510 30 20 BFED C=CC1(OC(=O)CSCCCC)CC1 893366872 WLGZMDOKAPNVHG-UHFFFAOYSA-N 214.330 2.782 30 20 BFED C=C(C)CCNC(=O)N(Cc1ccoc1)C1CC1 895147767 WIELKQSEQZVDJU-UHFFFAOYSA-N 248.326 2.920 30 20 BFED C=CCC1(O)CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 895835779 OREMQROLXMYRDH-SOUVJXGZSA-N 247.382 2.602 30 20 BFED N#C[C@H]1CCCN(Cc2ccc3cc[nH]c3c2)C1 903563685 IWDHBCAHCXDZSJ-CYBMUJFWSA-N 239.322 2.903 30 20 BFED CN(C[Si](C)(C)C)C(=O)c1cccc(C#N)c1 911738355 QMABMDNLUIAWTB-UHFFFAOYSA-N 246.386 2.508 30 20 BFED N#Cc1cc(N2CC(Cc3ccccc3)C2)ccn1 912036095 GITJACFTNJSZPX-UHFFFAOYSA-N 249.317 2.632 30 20 BFED C=C(C)COC(=O)/C=C\c1ccc2c(c1)OCO2 916588129 VLGPIZDNJUJUEN-XQRVVYSFSA-N 246.262 2.548 30 20 BFED C#CCN(CC)C(=O)/C=C\Sc1ccccc1 919876375 HBXILXXYBQGHIF-BENRWUELSA-N 245.347 2.774 30 20 BFED C#CCN(C(=O)N[C@@H](C)C[C@@H](C)CC)C(C)C 920649831 PNOBVYQCEHYZFU-STQMWFEESA-N 238.375 2.864 30 20 BFED C[C@@H](/N=C\c1cccc(O)c1O)c1ccccn1 920944424 FOTLRGUBFNMISD-MQHRVFIMSA-N 242.278 2.673 30 20 BFED C#CCN(C(=O)C[C@@H]1CC[C@@H](C)C1)C(C)C 928627323 RNSVBKFSYDXIMJ-CHWSQXEVSA-N 221.344 2.683 30 20 BFED C=C[C@H](CC)CC(=O)NCCCOC(C)C 929263007 VIMCMPULWAGVBL-GFCCVEGCSA-N 227.348 2.520 30 20 BFED Cc1ccc(C#N)cc1C(=O)N(C)[C@H](C)C1CC1 929706811 SLPOPIANJXQJBG-LLVKDONJSA-N 242.322 2.737 30 20 BFED C=C[C@H](CC)CC(=O)Nc1nc(C)ccc1OC 934006268 KXTROAFBJGINSA-LLVKDONJSA-N 248.326 2.939 30 20 BFED C=C[C@H](CC)CC(=O)N[C@H](CC)[C@@H]1CCCO1 935086971 IAZWYKCRSLETHR-UPJWGTAASA-N 239.359 2.663 30 20 BFED C=C[C@@H](CC)CC(=O)N1CCSCC[C@H]1C 935626946 OMTGARIODIGIOM-NEPJUHHUSA-N 241.400 2.943 30 20 BFED C=C(C)CCC(=O)OCC(=O)C(C)(C)C 1123056942 VHOQEHAPFHBUOZ-UHFFFAOYSA-N 212.289 2.501 30 20 BFED C=C(CC(C)C)C(=O)N(C)C[C@H]1CCCCO1 1123601662 XWSYDCCDDOBNBN-CYBMUJFWSA-N 239.359 2.616 30 20 BFED C=CCC[C@H]1CCCN1C(=O)NCC(C)(C)C#N 1123639544 VGUBFJVENHVPRQ-LBPRGKRZSA-N 249.358 2.676 30 20 BFED C=C[C@H](OC(=O)[C@@H]1C[C@H]1F)c1ccccc1 1262802532 BWICJXXLECUQMO-UTUOFQBUSA-N 220.243 2.815 30 20 BFED C#CCOc1ccc(CNC/C=C\C2CC2)cc1 1324939382 HCLZZSYNDJCHHE-ARJAWSKDSA-N 241.334 2.754 30 20 BFED C=CCCCC(=O)Nc1cc(F)ccc1N 1329565174 WXCLAUSCXRPUDW-UHFFFAOYSA-N 222.263 2.703 30 20 BFED C#Cc1ccc(NCCC(C)(C)F)nc1 1337220744 KNYAZICMTZZIQY-UHFFFAOYSA-N 206.264 2.613 30 20 BFED C=C(C)CN(C)c1nnc([C@H](C)C2CCC2)n1C 1341398301 HNXZIAXKZVWFMQ-LLVKDONJSA-N 248.374 2.731 30 20 BFED Cc1ccc(C#N)cc1C(=O)OC1CC(C)C1 1345008496 OSMMUMQRNMKMTL-UHFFFAOYSA-N 229.279 2.822 30 20 BFED CC(C)(C)[C@H](C#N)OC(=O)c1csc(C#N)c1 1357676081 HDZPNFPVHWQEIJ-JTQLQIEISA-N 248.307 2.715 30 20 BFED Cc1nccc(Sc2cccc(F)c2C#N)n1 1458459327 ZDLBPMAHTJPHBR-UHFFFAOYSA-N 245.282 2.947 30 20 BFED CC(=O)Nc1cc2ccccc2cc1C#N 1535787439 ZIZRXOOVBDZLHR-UHFFFAOYSA-N 210.236 2.670 30 20 BFED CC[C@H]1CCN(c2snc(C)c2C#N)[C@@H]1C 1612278795 JMNLJASGAYCRJC-ZJUUUORDSA-N 235.356 2.948 30 20 BFED C=CCC(C)(C)CCNc1cnc(C(=O)O)cn1 1776150799 UIAZUNRWQIQVIA-UHFFFAOYSA-N 249.314 2.579 30 20 BFED CC(C)Nc1nnc(SCCCC#N)s1 9921596 NAARQUAJEPOCPB-UHFFFAOYSA-N 242.373 2.754 30 20 BFED CC[C@@H](C)CN(C)C[C@H](O)c1ccc(C#N)cc1 37173130 BMPDUFIWTUFFIR-DOMZBBRYSA-N 246.354 2.570 30 20 BFED C[C@H](Nc1cnccn1)c1ccc(C#N)cc1 37502108 UAHSQAXYOYIVQB-JTQLQIEISA-N 224.267 2.521 30 20 BFED CC[C@H](C#N)C(=O)Nc1cccc2cccnc12 44809281 WSVMUXJPPREXII-SNVBAGLBSA-N 239.278 2.723 30 20 BFED CC[C@@H](C#N)C(=O)N(C)C1CCCCCC1 44823497 NINXCBWKMPYWAX-NSHDSACASA-N 222.332 2.717 30 20 BFED CS[C@H](C)C(=O)Nc1cc(C#N)ccc1C 49490120 DIOBXSSTYGDKRV-SECBINFHSA-N 234.324 2.557 30 20 BFED C=CCN(CCCOC)Cc1ccccc1 51400805 BRMHVWDLIZSFLU-UHFFFAOYSA-N 219.328 2.711 30 20 BFED C=C(C)COc1ccc(C)cc1[N+](=O)[O-] 57647996 PQTOJRHAOVKTNK-UHFFFAOYSA-N 207.229 2.858 30 20 BFED C[C@@H](C#N)CN(C)Cc1nc2ccccc2s1 57946755 AQYZSYSKPOFBCN-JTQLQIEISA-N 245.351 2.888 30 20 BFED CCC[C@H](C#N)NC(=O)C1(c2ccccc2)CC1 61618006 OUUKRSWHZNVLLM-CYBMUJFWSA-N 242.322 2.527 30 20 BFED CCCC[C@H](CC)C(=O)N(C)[C@@H](C)CC#N 63094390 ZWOHVDUNJRRDDO-RYUDHWBXSA-N 224.348 2.963 30 20 BFED C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2)CCO1 69858277 WFZAQPNFILAAIZ-MFKMUULPSA-N 216.284 2.538 30 20 BFED C[C@H]1C[C@@H](Nc2cccc(F)c2C#N)CCO1 70348481 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30 20 BFED C=CCOCCCC(=O)N[C@@H](C)CC(C)(C)C 457226771 MXRFGYTUOWNZIQ-LBPRGKRZSA-N 241.375 2.910 30 20 BFED CC[C@]1(C(C)C)C[C@H]1NC(=O)CCCC#N 457245403 UZZSXIOJHDYJQP-DGCLKSJQSA-N 222.332 2.621 30 20 BFED CCC[C@H](NC(=O)[C@H](C)C#N)C1CCCC1 458349985 WONKWEWWVYDXLB-PWSUYJOCSA-N 222.332 2.621 30 20 BFED C=CCOCCCC(=O)N1C[C@H](C)CC1(C)C 471725429 KLUFVYAKBZZSIA-GFCCVEGCSA-N 239.359 2.616 30 20 BFED CC#CCCNC(=O)[C@](C)(CC)CCC 476570683 JSWRHDDEXVCSKD-CYBMUJFWSA-N 209.333 2.732 30 20 BFED CC#CCCNC(=O)N(C)[C@H]1CCC[C@H](C)C1 483414081 XNBITBWNOXTNFI-STQMWFEESA-N 236.359 2.620 30 20 BFED C=C1CCN(C(=O)CCC2CCC2)CC1 487341718 XIDGDOVAOBVQKZ-UHFFFAOYSA-N 207.317 2.745 30 20 BFED C=CCNC(=O)[C@@H](C)Nc1ccc(/C=C/C)cc1 487970215 ROMBLCMOQSLZPX-FVOPLDGLSA-N 244.338 2.822 30 20 BFED C#C[C@H](NC(=O)C=C1CCCC1)C(C)(C)C 491658297 JYXMNOCAIOVZLO-LBPRGKRZSA-N 219.328 2.651 30 20 BFED C#CCN(C)C(=O)N[C@@H](C)CC1CCCCC1 491697289 AMZZHPIEJVPUTL-LBPRGKRZSA-N 236.359 2.620 30 20 BFED 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30 20 BFED C=C[C@H](O)C(=O)O[C@H](C)c1ccc(C(C)C)cc1 814548523 URKVCBAXKKQPBI-RISCZKNCSA-N 248.322 2.961 30 20 BFED Cc1ccc(N(C)CCOCCC#N)cc1C 815022026 WXIIJFKHQBFIQR-UHFFFAOYSA-N 232.327 2.670 30 20 BFED C#C[C@H](N[C@H]1C=CCCCCC1)[C@H]1CCCO1 815093767 RXEMLVBVDHRPBU-SOUVJXGZSA-N 233.355 2.646 30 20 BFED C=CCOCCN[C@H](C)c1ccc(F)cc1C 815614747 AIDXOOIYHKBRBZ-GFCCVEGCSA-N 237.318 2.987 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](SC)C1 819320396 FFEJXOIELOCNSV-WDEREUQCSA-N 241.400 2.989 30 20 BFED C#Cc1cnc(N[C@H]2CCc3c(C)cccc32)nc1 827562215 JSIYVPLTHVRJCE-HNNXBMFYSA-N 249.317 2.866 30 20 BFED CC(C)CN(CCC#N)CC1CCC(=O)CC1 827873131 ONPLCZOSFVLJNZ-UHFFFAOYSA-N 236.359 2.617 30 20 BFED CC[C@@H]1CC[C@@H](C)N1C(=O)C#Cc1cccs1 828372492 IJQMUOHRFANGFX-VXGBXAGGSA-N 247.363 2.889 30 20 BFED C#Cc1cccc(CN[C@H](C)C(C)(C)OC)c1 834902088 DNZKBNWSEBOMLW-GFCCVEGCSA-N 231.339 2.571 30 20 BFED CCn1ccnc1C(C)=NN[C@H](C)C(C)(C)C 834981241 KUGDJELPWZDNMU-LLVKDONJSA-N 236.363 2.651 30 20 BFED 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C[C@@H]1CCCN1Cc1cc(F)ccc1C#N 160892506 LNLNEDYFJGYEAT-SNVBAGLBSA-N 218.275 2.682 30 20 BFED C=C[C@H](C)N[C@H]1C[C@H](OCC)C12CCCC2 162576829 WXAXQJDAVLTDOK-AVGNSLFASA-N 223.360 2.888 30 20 BFED C#CCCCNC/C=C/c1ccccc1[N+](=O)[O-] 174612181 BHUYLRZAVCEFGJ-VQHVLOKHSA-N 244.294 2.611 30 20 BFED CCN(Cc1ccc(C#N)cc1OC)C1CC1 179655359 RBXYSDJKLRZEEB-UHFFFAOYSA-N 230.311 2.551 30 20 BFED C=CCCC[C@H](C)NC(=O)c1ccc(C)nc1 182654021 NUGZARGPCGUCRJ-LBPRGKRZSA-N 232.327 2.865 30 20 BFED Cc1ccc(NC(=O)CC#N)cc1-c1ncco1 184801928 CYDLTWJBSMVPHI-UHFFFAOYSA-N 241.250 2.502 30 20 BFED CC#CCCN1CC[C@@H](c2ccc(OC)cc2)C1 185009763 QSKGQIQJCFZKSX-OAHLLOKOSA-N 243.350 2.898 30 20 BFED CC(C)C(CNC(=O)C(C)(C)C#N)C(C)C 191704062 LSKHORUZEJFEIX-UHFFFAOYSA-N 224.348 2.581 30 20 BFED C#CCCCC(=O)NCC(C)(C)CC(C)C 192148837 YHPGNMASOCIFHF-UHFFFAOYSA-N 223.360 2.978 30 20 BFED C=CC1CCN(c2ccncc2C)CC1 192586201 WVNIGPUZBANAIQ-UHFFFAOYSA-N 202.301 2.792 30 20 BFED CC[C@H](C)Nc1cc(C#N)cc(Cl)n1 215369526 REVJSJQNVVCDEB-ZETCQYMHSA-N 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2.616 30 20 BFED C=CCCC(CC)=NNC(=S)NC(C)(C)C 750931286 ODCOIDDLAWYJSW-UHFFFAOYSA-N 241.404 2.981 30 20 BFED C#C[C@H](CC)NC(=O)N[C@@H](C)C[C@@H](C)CC 753161341 VQWMYXCNFPSLIG-SDDRHHMPSA-N 224.348 2.522 30 20 BFED C[C@H](C=NNc1cnccn1)c1ccc(F)cc1 756879325 ITIJVAYBXJCALB-SNVBAGLBSA-N 244.273 2.817 30 20 BFED COCCCC(C)=NNc1ncccc1Cl 759202511 RAPFENNTNRTWJZ-UHFFFAOYSA-N 241.722 2.949 30 20 BFED CCCCCCCN1CC[C@H](C)[S@@](=O)CC1 759867558 IVQBUWWQPPDHKH-BBRMVZONSA-N 245.432 2.800 30 20 BFED Cn1cc(NN=Cc2cscc2Cl)cn1 761866931 NOLASBNLQIXSIP-UHFFFAOYSA-N 240.719 2.581 30 20 BFED C=CCOC(=O)Cc1ccc(C)cc1Cl 761992590 MUSASCDOAZGAGT-UHFFFAOYSA-N 224.687 2.920 30 20 BFED CC(C)(C)CC=NNc1ccc(C(=O)O)cn1 763371120 ZTDKFLUNQFKKNO-UHFFFAOYSA-N 235.287 2.614 30 20 BFED CC#CC(=O)N[C@@H](c1ccccc1)C1CCC1 764498266 FBGPQTFGLOHTRS-HNNXBMFYSA-N 227.307 2.667 30 20 BFED FC(F)(F)CON=CCCC1CCOCC1 764908850 PCNGXWDOFWNXDH-UHFFFAOYSA-N 239.237 2.758 30 20 BFED CC(CCC(C)C)=NNCC(F)(F)F 769821112 BXBGOQFGGKJAHR-UHFFFAOYSA-N 210.243 2.950 30 20 BFED COCCON=C[C@@H]1C(C)=CCC[C@H]1C 773203097 JHFQKIRJXDKZOI-VXGBXAGGSA-N 211.305 2.628 30 20 BFED CCC[C@H](C)[C@@H](C)OC(=O)c1ccc(C#N)[nH]1 778745504 PMHSYBQAJLFOQJ-VHSXEESVSA-N 234.299 2.868 30 20 BFED C[C@@]1(C#N)CCCN(C[C@@H]2CC2(Cl)Cl)C1 784451895 MFARURNOJWMJOX-UWVGGRQHSA-N 247.169 2.806 30 20 BFED C=C[C@H]1CCCCN1C(=O)/C=C(\C)C1CC1 785862975 KXERVIQOGLDGKV-NHAQELONSA-N 219.328 2.910 30 20 BFED COCCCON=C1CCC[C@@H]1CCCF 795053457 NRUMBPQKWGSJDW-LLVKDONJSA-N 231.311 2.945 30 20 BFED C#CCN(Cc1ccccc1)C(=O)OCC1CC1 796225733 DXAGVOBDXGACEW-UHFFFAOYSA-N 243.306 2.668 30 20 BFED C=CC[C@H](N[C@H](C)c1ncc[nH]1)c1ccncc1 796772668 UFBHSKBKMQSHNO-YPMHNXCESA-N 242.326 2.773 30 20 BFED CC#CC(=O)Nc1cnn(C(CC)CC)c1CC 801230375 BDQBXBSLRICJEQ-UHFFFAOYSA-N 247.342 2.768 30 20 BFED N#CCc1cccc(C(=O)OCCCCF)c1 803285933 KTKZUDCSJHOOOE-UHFFFAOYSA-N 235.258 2.659 30 20 BFED C#CC(=O)N(Cc1ccccc1Cl)CC1CC1 804327476 PNZQAQUQDLPCFP-UHFFFAOYSA-N 247.725 2.712 30 20 BFED C#Cc1ccc(CNC[C@H](CCC)CCO)cc1 809622492 HYQDRSXDARBPMX-OAHLLOKOSA-N 245.366 2.556 30 20 BFED C#C[C@@H](C)NCc1ccc(N(CC)CC)c(F)c1 809683610 HZXKFBPELLBPKF-GFCCVEGCSA-N 248.345 2.783 30 20 BFED C=CCCCCOC(=O)[C@@H]1CCC(=O)[C@@H](C)C1 811008848 MOSRHGPUJXXZPF-NWDGAFQWSA-N 238.327 2.891 30 20 BFED CC(=NNC[C@H]1CCSC1)c1ccsc1 811659198 TWUIVAAGDYFPJX-SNVBAGLBSA-N 240.397 2.815 30 20 BFED C#CCON=C(CC)Cc1ccc(C)cc1 812233766 WLFVYAVZXHSCAY-UHFFFAOYSA-N 215.296 2.953 30 20 BFED C#CCON=C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 812234336 XOBPZXXHPPOQQK-UKRRQHHQSA-N 248.370 2.667 30 20 BFED C=CCCCOC(=O)CCc1cncs1 814588164 LSSDXCPQMKRCPX-UHFFFAOYSA-N 225.313 2.585 30 20 BFED Cc1ccc(NN=C2CC[C@H]2C2CCC2)nn1 814840008 BHHQEDWFGRMKBL-NSHDSACASA-N 230.315 2.763 30 20 BFED CC(=NNc1cccc(Cl)n1)c1c[nH]nc1C 814939652 XXNQTLWFINLMTP-UHFFFAOYSA-N 249.705 2.603 30 20 BFED Cc1cc(C#N)cnc1C(=O)O[C@H](C)CC(C)C 815921957 YOOMGSCXPMCRHB-LLVKDONJSA-N 246.310 2.853 30 20 BFED C=CCC(F)(F)C(=O)N(CC)CC1CCC1 816548432 HOWRPXHNVHMYBD-UHFFFAOYSA-N 231.286 2.846 30 20 BFED C=C[C@H]1CCCCN1Cc1cnn(C)c1Cl 816594279 WWPDJBDIDHOFII-NSHDSACASA-N 239.750 2.614 30 20 BFED C#C[C@@H](C)NC/C(C)=C/c1ccccc1COC 816607082 FGLNWJNYHXKXMQ-JWAFFJSPSA-N 243.350 2.848 30 20 BFED N#Cc1ccc(C=NNC2CCCCC2)cc1F 817327640 NQFNWZZYNSARRK-UHFFFAOYSA-N 245.301 2.954 30 20 BFED COc1ccc(O)c(/C=N/[C@@H]2CC[C@H](C#N)C2)c1 818992640 RXVOEDVJVLGIEX-SVCCNBJCSA-N 244.294 2.512 30 20 BFED CC(C)C#CC(=O)N(Cc1cccs1)C1CC1 820949619 BRZFBEOFLXLJEQ-UHFFFAOYSA-N 247.363 2.899 30 20 BFED C#CCOc1ccc(CN[C@@H]2CC[C@@H]2CC)cc1 824925807 DZKKJCUNSAWQKU-GOEBONIOSA-N 243.350 2.977 30 20 BFED C[C@H]1CC(=NOCCC2CC2)C[C@@H](C)O1 834982099 NJUXYVAAMIKPAA-AOOOYVTPSA-N 211.305 2.747 30 20 BFED CS[C@H](C)COC(=O)c1ccc(C#N)s1 835679888 DYNGOCQVFHPZBX-SSDOTTSWSA-N 241.337 2.528 30 20 BFED N#C[C@]1(C(=O)OC/C=C\Cl)CC12CCCC2 837901584 DEBKJUMGWVVPGD-RYBZSIHZSA-N 239.702 2.756 30 20 BFED C=C(C)COC(=O)c1cc(C)cc(C(=O)OC)c1 838466590 QHARRICWUZMEGW-UHFFFAOYSA-N 248.278 2.515 30 20 BFED Cc1cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)co1 839058729 LLRZUOKBMFXGAL-PWSUYJOCSA-N 233.267 2.827 30 20 BFED C[C@@H](C#N)OCCSc1ccc2[nH]ncc2c1 840214723 ZKGCRFDMNVLWMS-VIFPVBQESA-N 247.323 2.584 30 20 BFED CCC(=NNc1ccc([N+](=O)[O-])cn1)[C@@H]1C[C@H]1C 841620687 XIJICPKWQDOYIW-PSASIEDQSA-N 248.286 2.824 30 20 BFED Clc1cncnc1NN=C1CCC[C@@H]2C[C@H]12 841638096 NRDUGCCPBBOSNB-SFYZADRCSA-N 236.706 2.718 30 20 BFED CC(C)(C#N)CCONC(=N)c1ccccc1F 842064162 MVJANVCLXKKLSQ-UHFFFAOYSA-N 249.289 2.612 30 20 BFED C[C@H](COC(=O)CCCC#N)CC(F)F 842441691 NVAXPWSOICTNAW-QMMMGPOBSA-N 219.231 2.515 30 20 BFED CC(C)C[C@H]1CCCC(=NN(C)[C@@H](C)CO)C1 842541273 QSFVWWWMOXUWSN-QWHCGFSZSA-N 240.391 2.891 30 20 BFED CCCON=CCCc1cnccc1C 842555304 VXNJPMUSGPMRJA-UHFFFAOYSA-N 206.289 2.735 30 20 BFED C=CCC(C)(C)C(=O)OCc1conc1CC 848759919 BWWVTDKVZQCOPE-UHFFFAOYSA-N 237.299 2.883 30 20 BFED C#CCCOC(=O)N[C@H]1CCC[C@H](CC)C1 859012172 KUVZXFKBIVISOY-RYUDHWBXSA-N 223.316 2.705 30 20 BFED C=C[C@@H]1CCCCN1C(=O)OCCOCCC 859136930 YKODCYYBBMVWRT-GFCCVEGCSA-N 241.331 2.590 30 20 BFED C=CCCONC(=O)/C=C\CCc1ccccc1 869282240 DCXTWTQIEQPIJP-WQLSENKSSA-N 245.322 2.799 30 20 BFED C=CCCC[C@H](C)Nc1cc(Cl)nnc1O 872502247 CYPNQUKXFPQJGP-QMMMGPOBSA-N 241.722 2.992 30 20 BFED C[C@@H](OC(=O)c1cc(C#N)ccc1F)C1CC1 889771675 WKZHCSJXVRMAEV-MRVPVSSYSA-N 233.242 2.653 30 20 BFED C=CC1(OC(=O)[C@@H]2CCOC3(CCC3)C2)CC1 893357716 TUJRJDUHAZFLGN-LLVKDONJSA-N 236.311 2.598 30 20 BFED C[C@@H]1CC(=NNc2ccc(F)c(F)c2)CO1 901316876 DCNSUIGTYCXNGY-SSDOTTSWSA-N 226.226 2.542 30 20 BFED CO[C@H](C)Sc1ccc(C#N)c(C)c1 901563544 AWBHCCPRMICVMC-VIFPVBQESA-N 207.298 2.951 30 20 BFED C=CCCCn1ccc(Br)cc1=O 902582375 NMRZFMUEDJECGH-UHFFFAOYSA-N 242.116 2.577 30 20 BFED C#CCCCCNCc1cnn(C2CCC2)c1 921837405 JVYJKSCUVVXKNM-UHFFFAOYSA-N 231.343 2.501 30 20 BFED Cc1c(N)ccc(C(=O)OCCCCC#N)c1C 922980684 GOKFYYGGNUXADI-UHFFFAOYSA-N 246.310 2.736 30 20 BFED Cc1ccc([C@@H](C)N(C)C[C@H](O)CC#N)c(C)c1 929326337 QXODWNHFSKGRBQ-ZIAGYGMSSA-N 246.354 2.571 30 20 BFED C[C@@H](C#N)CN(C)Cc1coc(C(C)(C)C)n1 929472383 OKSADPHNXIXHIR-JTQLQIEISA-N 235.331 2.564 30 20 BFED C#CCN(Cc1ccc(COC)cc1)C(C)C 932386950 DTFQVNCPSINNEK-UHFFFAOYSA-N 231.339 2.677 30 20 BFED N#CC[C@@H](OC(=O)[C@H]1CC12CCC2)c1ccco1 1123462985 PDIWVEWEQUVUQN-ZYHUDNBSSA-N 245.278 2.968 30 20 BFED C=C(C)CN(CC)C(=O)CC#Cc1ccccc1 1252950696 GDFOLVHRWNFUSX-UHFFFAOYSA-N 241.334 2.853 30 20 BFED C#CCCCC(=O)O[C@H](C)c1ccoc1 1263666338 CEIBREWKIMWTKN-SNVBAGLBSA-N 206.241 2.687 30 20 BFED C#CCN(CC1CC1)C(=O)NCC1(CC)CCC1 1319663992 ZSAYUPNLVXCFPR-UHFFFAOYSA-N 248.370 2.622 30 20 BFED C#CCN(CC1CC1)C(=O)/C=C/C(=C/C)CC 1320134756 FPQDQYMBNKZHNZ-WLQVBUEZSA-N 231.339 2.771 30 20 BFED CC(C)[C@H](C)N(C)c1cccc(CC#N)n1 1320604290 AUNJTSNQOKAXBL-NSHDSACASA-N 217.316 2.628 30 20 BFED CC1(C)C(NC(=O)c2csc(C#N)c2)C1(C)C 1324706980 AOLANJRHLAKFKK-UHFFFAOYSA-N 248.351 2.784 30 20 BFED C=CCCCC[C@H](C)NCC[C@@H](C)NC 1326036043 OJLGKPBIZGMQNS-OLZOCXBDSA-N 212.381 2.709 30 20 BFED C#Cc1ccc(C(=O)N2CC3CCC2CC3)cc1 1332061353 PBMXZMOBZTZFOG-UHFFFAOYSA-N 239.318 2.683 30 20 BFED C=C[C@](C)(CC)C(=O)N1C[C@H]2CCCC[C@H]21 1338273653 AQOJCBLFVGTRAN-YRGRVCCFSA-N 221.344 2.990 30 20 BFED C=C(C)CCC(=O)N1CC(C)(C)OC[C@H]1CC 1340644211 SAFZTGVJEUJHGT-GFCCVEGCSA-N 239.359 2.759 30 20 BFED C=CCCC(=O)NCCCc1ccsc1 1340997651 VPIIJKLJZCHMSN-UHFFFAOYSA-N 223.341 2.763 30 20 BFED C#CCCCCC(=O)O[C@H](C)CCCOC 1346047221 BDUNFQVXFOEDDM-GFCCVEGCSA-N 226.316 2.538 30 20 BFED C#Cc1ccc(N[C@H]2CCC[C@@H]3C[C@H]23)nc1 1348214264 JUCUINPGEGJPSY-AGIUHOORSA-N 212.296 2.663 30 20 BFED C=C(C)C(C)(C)C(=O)OCC#Cc1ccccn1 1348577799 HAVIFNZTZFTNQP-UHFFFAOYSA-N 243.306 2.579 30 20 BFED C=C(C)CCC(=O)OCc1cc(C2CC2)no1 1349325182 SJHDDDGVIXIJAR-UHFFFAOYSA-N 235.283 2.952 30 20 BFED C#CCN(CC1CC1)C(=O)[C@H]1CC[C@H](C)CC1 1349499588 OGZRSSUIBDPKNJ-MQMHXKEQSA-N 233.355 2.685 30 20 BFED C=CCC[C@H]1CCCN1C(=O)c1ccc(N)cc1 1514883070 MTZFFCSYDBSUIH-AWEZNQCLSA-N 244.338 2.840 30 20 BFED N#C[C@@H]1CC[C@@H](OC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 1516857980 AKCLXHQYBQDLCF-RKQHYHRCSA-N 245.322 2.824 30 20 BFED C=CC[C@@H](NCCCC(C)(C)C=C)C(=O)O 1602842035 JYGWADYCPFYNAG-LLVKDONJSA-N 225.332 2.598 30 20 BFED C=C(CC)CN1c2ccccc2C[C@H]1CC(=O)O 1776141513 RKQLOMMJBAJSBA-ZDUSSCGKSA-N 245.322 2.859 30 20 BFED C=CC(C)(C)CCCN=c1cc[nH]cc1C(=O)O 1776147421 UUFBNZQBMMZNEH-UHFFFAOYSA-N 248.326 2.606 30 20 BFED CC[C@H](C)/N=C(\O)c1coc(=O)c2ccccc12 211132 RUTNDSOGEZTNIE-VIFPVBQESA-N 245.278 2.896 30 20 BFED COc1cc(C#N)ccc1OC/C=C/Cl 19488787 MVVZJGQSHGQGAK-GORDUTHDSA-N 223.659 2.698 30 20 BFED CCCCN(c1ccc(C#N)cn1)C1CC1 42491097 LELXYNNWGGTWSH-UHFFFAOYSA-N 215.300 2.722 30 20 BFED CN(CCCC#N)[C@@H]1CCc2ccccc21 42635250 GOBFJDWSQHSNAH-CQSZACIVSA-N 214.312 2.909 30 20 BFED CC(C)N(CC1CC1)C(=O)c1ccc(C#N)cc1 47861568 WBDYALPPYWPJKF-UHFFFAOYSA-N 242.322 2.819 30 20 BFED Cc1cc(CNc2cc(C#N)ccc2C)no1 49488184 FPJAADSNLAMUAL-UHFFFAOYSA-N 227.267 2.775 30 20 BFED Cc1ccccc1CCC(=O)N(C)C[C@@H](C)C#N 51967860 HXFBINNQRUJZFH-LBPRGKRZSA-N 244.338 2.546 30 20 BFED N#CCN(Cc1ccco1)C1CCCC1 52077192 BJMGRFKHWMVCGZ-UHFFFAOYSA-N 204.273 2.548 30 20 BFED CC[C@H](CC#N)NCc1cc(C)ccc1OC 54183454 JCWZPYBDRKFCAL-CYBMUJFWSA-N 232.327 2.786 30 20 BFED CN(C(=O)CC(C)(C)C)c1cccc(C#N)c1 59095606 ZMAQFGYGTBUMKX-UHFFFAOYSA-N 230.311 2.957 30 20 BFED C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 69311177 YURYTROCPARSQP-STQMWFEESA-N 247.338 2.845 30 20 BFED C#CCCN[C@H](CC)c1ccc(OC)c(OC)c1 70245592 VHHHCWLMBWIRAU-CYBMUJFWSA-N 247.338 2.768 30 20 BFED C[C@@H](NC(=O)C(C)(C)C)c1cccc(C#N)c1 75266290 SNYVMRKIGWECSP-SNVBAGLBSA-N 230.311 2.782 30 20 BFED CC[C@@H]1CCCN(c2ncccc2C#N)CC1 79054075 UWMANJQEKFWNJH-GFCCVEGCSA-N 229.327 2.970 30 20 BFED CC(C)(C#N)CCOc1cccc(C=O)c1 83639009 MYGZMHFEFNVSLY-UHFFFAOYSA-N 217.268 2.818 30 20 BFED N#CC[C@@H](O)c1ccc(Cl)c(Cl)c1 85878239 PPTNXEHDMZHGOJ-SECBINFHSA-N 216.067 2.940 30 20 BFED CCCn1cc(NCc2cc(C#N)cs2)cn1 90191285 VFKMAOJEPUMOSD-UHFFFAOYSA-N 246.339 2.838 30 20 BFED COc1ccc(C[C@@H](C)CN(C)CCC#N)cc1 90617240 OCRARCWYCPLKPH-CYBMUJFWSA-N 246.354 2.719 30 20 BFED N#Cc1cncc(-c2cc(F)cc(F)c2)c1 91366211 IUFADOGCDKNECX-UHFFFAOYSA-N 216.190 2.898 30 20 BFED Cc1ccc(C(=O)N2CCC(C#N)CC2)c(F)c1 94207515 PEPYWHJUXYPZJD-UHFFFAOYSA-N 246.285 2.510 30 20 BFED CCC[C@@H](C)CC(=O)N(CCC#N)CC1CC1 103437566 XOBOHIOPDDSVIA-GFCCVEGCSA-N 236.359 2.965 30 20 BFED CCc1ccc(C/N=C(/N)NC(C)(C)C)s1 104172049 ZLWBYRNGQREJGV-UHFFFAOYSA-N 239.388 2.513 30 20 BFED CCCO[C@@H]1CCCN(CCCC#N)CC1 108396383 NSRHIFOHPSYOQH-CYBMUJFWSA-N 224.348 2.571 30 20 BFED C=CCS[C@H](C)C(=O)NCCc1ccccc1 114757095 LRTFQQVQTLGPAV-GFCCVEGCSA-N 249.379 2.653 30 20 BFED C=CC[C@H](C)NC(=O)c1cc(C)ccc1C 116854576 QJNWZCZZGVOWFW-LBPRGKRZSA-N 217.312 2.998 30 20 BFED C=C(Cl)CN1CCS[C@H](C)[C@H]1C 118534466 TXJUEJDYLTVNAV-RKDXNWHRSA-N 205.754 2.565 30 20 BFED CC1CC(C#N)(C(=O)N2CCCCCCC2)C1 122342536 GRSILKNCDNZSIM-UHFFFAOYSA-N 234.343 2.719 30 20 BFED CC#CCN[C@H](c1ccccc1)C(F)(F)F 126251074 XNIOAEQSAVXSBM-LLVKDONJSA-N 227.229 2.903 30 20 BFED C=C[C@@H](C)NCc1cn2cc(Cl)ccc2n1 130470497 XIAWMWNQGPXEQV-SECBINFHSA-N 235.718 2.652 30 20 BFED N#Cc1ccc(N2CCC3(CCC3)C2)cc1 131269732 CSFIBTZGCBDGGL-UHFFFAOYSA-N 212.296 2.939 30 20 BFED C[C@@H](Cc1ccsc1)NCc1ccc(C#N)o1 135160439 DQLPNJKQNAVYNU-JTQLQIEISA-N 246.335 2.934 30 20 BFED CCc1ccc(C(=O)/C=C/c2ccnn2CC)o1 152666950 BPKYRFLVCJXOAG-FNORWQNLSA-N 244.294 2.955 30 20 BFED CS[C@H]1CCCCN(c2ccc(C#N)nc2)C1 154636620 IDIHDNUEAAWMAS-ZDUSSCGKSA-N 247.367 2.675 30 20 BFED C[C@H](Nc1ncccc1C#N)C1CCC1 159994202 VUDCAAFVADPQRC-VIFPVBQESA-N 201.273 2.554 30 20 BFED C=C(C)CNc1ccc(Cl)c(C#N)n1 160592665 WXJIQODZDFQWBQ-UHFFFAOYSA-N 207.664 2.595 30 20 BFED CCN(Cc1ccc(F)c(C#N)c1)C[C@@H](C)C#N 160979224 PBWZQHXCLOITHW-NSHDSACASA-N 245.301 2.679 30 20 BFED C=CCN(C)C(=O)C[C@@H]1CCC[C@H](C)C1 161614573 VIZTXZIIEMYVHY-NWDGAFQWSA-N 209.333 2.847 30 20 BFED CC[C@H](COC)Nc1ccccc1O[C@H](C)C#N 162264333 KJGWHJMQCOCJRT-VXGBXAGGSA-N 248.326 2.814 30 20 BFED Cc1cc(C#N)ccc1CSc1ncccn1 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20 BFED CCC[C@@H]1CCC[C@H]1C(=O)N(C)C[C@@H](C)C#N 448767931 BDENGNYPBSOHBR-YNEHKIRRSA-N 236.359 2.821 30 20 BFED N#CC[C@@H]1CC[C@H](NC/C=C/c2ccncc2)C1 449447272 YEXXZEXBHQRGGS-QJVFMVDXSA-N 241.338 2.767 30 20 BFED CC(C)[C@@H]1N(C(=O)[C@]2(C#N)C[C@H]2C)CC12CCC2 452267582 VZNGPMLJIJMDNF-XUJVJEKNSA-N 246.354 2.573 30 20 BFED C=CC(C)(C)CNC(=O)CC[C@@H](C)SC 452772390 FBBGPAPVTXNWJF-SNVBAGLBSA-N 229.389 2.847 30 20 BFED C=CC1CCN(C(=O)N[C@H]2CCC[C@@H]3C[C@H]23)CC1 459313431 PMCKCIKNGQHZGM-RDBSUJKOSA-N 248.370 2.783 30 20 BFED CC#CCCNC(=O)N(CC)CC(CC)CC 483415780 JWYLIFMRQRIHEC-UHFFFAOYSA-N 238.375 2.868 30 20 BFED C=C(C)CN(C)C(=O)N[C@@H]1CCC[C@@H]1CC 487845586 WZVUQNCKRXFWJM-NWDGAFQWSA-N 224.348 2.783 30 20 BFED C#C[C@H](C)N(C)Cc1ccc(OC(F)F)cc1 491710722 YXDAQWCMASWJSP-JTQLQIEISA-N 239.265 2.742 30 20 BFED C#C[C@@H](CCC)NC(=O)N(CCC)CCC 491748079 SFKZNIPTNBKDJC-LBPRGKRZSA-N 224.348 2.620 30 20 BFED C#C[C@@H](C)N(C)CC[C@@H]1CC1(Cl)Cl 491768520 LJCCCROUQUGABQ-RKDXNWHRSA-N 220.143 2.524 30 20 BFED N#CCC[C@@H](C#N)CN[C@@H](C1CCC1)C1CC1 566121921 SSFGJKMSYSOOTM-FZMZJTMJSA-N 231.343 2.598 30 20 BFED CC(C)(CC#N)CSc1ccc(C#N)cn1 566498376 ZRBZLPCETDYBBU-UHFFFAOYSA-N 231.324 2.985 30 20 BFED C=CCCCCN1CCC[C@@H]1C[C@@H](C)O 567454359 GVBWIYIERCOGMW-CHWSQXEVSA-N 211.349 2.578 30 20 BFED CCC1(CC)CCN(c2ccc(C#N)c(N)n2)C1 572378568 JJFUHZUKOASJRB-UHFFFAOYSA-N 244.342 2.552 30 20 BFED CC(C)c1nsc(N(C)CC(C)(C)C#N)n1 576333865 DQHXWSGLXNCMQH-UHFFFAOYSA-N 238.360 2.647 30 20 BFED N#C[C@@H]1CC[C@@H](N2CCOCC3(CCCC3)C2)C1 590175329 SEWFDPIPVSEYDL-ZIAGYGMSSA-N 248.370 2.571 30 20 BFED CC(C)C[C@H](C#N)NC(=O)C1CC2(CCC2)C1 592615593 XOCWXEBLOBUPQB-GFCCVEGCSA-N 234.343 2.621 30 20 BFED CC[C@@H](C#N)C(=O)N(C)C[C@@H](C)c1ccccc1 593449120 WPWOMTPMJWKIOY-OLZOCXBDSA-N 244.338 2.798 30 20 BFED N#CCCCCNCc1cccc2c1CCC2 593595019 KQCIBNHJPRSLMZ-UHFFFAOYSA-N 228.339 2.959 30 20 BFED CC[C@H](C#N)C(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C 593677827 IMUOEAMJJXILGJ-XQHKEYJVSA-N 236.359 2.725 30 20 BFED N#C[C@@H]1CC[C@H](N2C[C@@H]3CCCC[C@@H]32)C1 595566220 GMORICCQWYRXOZ-VOAKCMCISA-N 204.317 2.553 30 20 BFED CCc1ncc(CN2CCC[C@@H](CC#N)C2)s1 597173899 MYXJAFKFPVISBG-NSHDSACASA-N 249.383 2.831 30 20 BFED C[C@H](C#N)SCC(=O)c1ccccc1 601087555 YSQDSNKCFIQJLM-SECBINFHSA-N 205.282 2.515 30 20 BFED CO[C@H](CNC[C@H](C)CCC#N)C1CCCC1 602719550 YAQBOCDXAFOPTP-TZMCWYRMSA-N 238.375 2.721 30 20 BFED CC[C@@H](c1ccccc1)n1cc(CCC#N)nn1 603217792 LTUSEOWGDJHZDF-AWEZNQCLSA-N 240.310 2.734 30 20 BFED C=C(Cl)CNc1cccc2c1CCO2 606276924 LXLXWRCVHUKQLK-UHFFFAOYSA-N 209.676 2.786 30 20 BFED C=CCCCCCN(C)CCn1ccccc1=O 606902732 YIBKFTUPWVBCFX-UHFFFAOYSA-N 248.370 2.527 30 20 BFED C=CC[C@@H]1CCCN(C(=O)C(C)(C)C)C1 617787552 QYOQLYJOSZGECU-LLVKDONJSA-N 209.333 2.847 30 20 BFED C=CCC(C)(C)CNC(=O)c1cc(CCC)[nH]n1 647120849 QBLFBDYZFPQDPQ-UHFFFAOYSA-N 249.358 2.694 30 20 BFED C=CCN(CC1CCCCC1)C[C@@H]1CCNC1 647884923 LBWHHIKAZIMHAV-OAHLLOKOSA-N 236.403 2.664 30 20 BFED CCC#C[C@H](C)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C 649966284 KHIAKDDGQDICOS-DGAVXFQQSA-N 235.371 2.582 30 20 BFED C=CCCCCN1CCC[C@H](CCC(=O)O)C1 652495909 FYMRIKQIZYFJQI-CYBMUJFWSA-N 239.359 2.920 30 20 BFED C=CCCn1cc(CN[C@H]2CCC[C@H]2CC)nn1 653640682 ZFJPUVZEIZIOCK-OCCSQVGLSA-N 248.374 2.523 30 20 BFED C=CCC[C@@H](NC[C@@H](CO)CC1CC1)C1CC1 658246686 FYBZIIWXZDSIDI-DZGCQCFKSA-N 237.387 2.729 30 20 BFED C=C(C)CNC(=O)N[C@@H]1CCc2ccc(C)cc21 681789090 LHXBARKQLZSQJD-CQSZACIVSA-N 244.338 2.858 30 20 BFED C#CCN(C(=O)[C@@H](C)CCCC)C(C)C 688889101 HXNNQNMNQLQQIP-LBPRGKRZSA-N 209.333 2.683 30 20 BFED CCN(CC)C[C@H](C)N[C@H](C)CC(C)(C)C#N 695840483 BSVWLNMFQVUAGY-OLZOCXBDSA-N 239.407 2.635 30 20 BFED N#CC1(C(=O)OCc2ccncc2)CCCCC1 726384791 LQPYCSCJNBLPHJ-UHFFFAOYSA-N 244.294 2.599 30 20 BFED C=CCNC(=S)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 741868816 FXYGDHWGLXOQQM-QJPTWQEYSA-N 238.400 2.605 30 20 BFED C=C(C)CNC(=S)N(C)[C@@H](C)c1ccco1 745660992 OWAJTYCGPKYXPO-JTQLQIEISA-N 238.356 2.723 30 20 BFED COc1ccc2c(c1)C(=NOCC(C)C)CCO2 749631141 ICUDMZVSDOGIDN-UHFFFAOYSA-N 249.310 2.854 30 20 BFED CC(CCC1CCCCC1)=NN[C@H](C)CO 749817837 OKZFHAYKBYVGCX-GFCCVEGCSA-N 226.364 2.693 30 20 BFED C[C@H]1CC(=NNc2cccc(F)c2)CN1C1CC1 753960006 NXUUUFBKNGFMBV-JTQLQIEISA-N 247.317 2.850 30 20 BFED C#CC(=O)Nc1ccc(N2CCCC2)c(Cl)c1 754020971 MGPNYMUMGZLPAB-UHFFFAOYSA-N 248.713 2.512 30 20 BFED C#CCN(C[C@@H]1C[C@@H]1C)C1CCCCC1 754099515 ADPDGTGWOOWSET-STQMWFEESA-N 205.345 2.910 30 20 BFED C#C[C@@H](CC)NC(=O)/C=C(/C)c1ccccc1 754375286 XMRMPMFNTGZRCF-NYHXXUGCSA-N 227.307 2.618 30 20 BFED Cc1csc(C=NNCc2ccccc2)n1 755566182 ZQYVLLNDZYBLDJ-UHFFFAOYSA-N 231.324 2.575 30 20 BFED CSCCC=NNc1cnc2ccccc2n1 755683508 RCKSZNJYLXSGFG-UHFFFAOYSA-N 246.339 2.781 30 20 BFED C#CCCCC(=O)Nc1ccnn1CCC(C)C 757894647 JVHDEZJMMIJBAU-UHFFFAOYSA-N 247.342 2.671 30 20 BFED CC#CCCOC(=O)[C@H](C)c1cccs1 760276075 QLHMGEWTUASYIE-SNVBAGLBSA-N 222.309 2.808 30 20 BFED C#CCCN(C)[C@@H](CC)Cc1ccccc1 760843135 GMRSWTDORGHBBA-HNNXBMFYSA-N 215.340 2.963 30 20 BFED C#CCCCN1CCC[C@H](OCCC)CC1 766900528 MEJXPMDXEJFMMJ-AWEZNQCLSA-N 223.360 2.681 30 20 BFED CCCCn1nc(C)c(C=NOC)c1Cl 767489987 HCXQNOQRDPXHJC-UHFFFAOYSA-N 229.711 2.625 30 20 BFED C=CCNC(=S)N1CCC[C@H]1[C@H](C)CCC 767690104 HLQMZBLFLSEITN-NEPJUHHUSA-N 240.416 2.948 30 20 BFED O=C1C(=Cc2cncs2)C(=O)c2ccccc21 767716051 IHYRWOOPPZRVFZ-UHFFFAOYSA-N 241.271 2.606 30 20 BFED C#CCN(CC#CC)Cc1ccc([C@H]2C[C@@H]2C)o1 769450842 BAJAXDRXDQTNEU-ZFWWWQNUSA-N 241.334 2.862 30 20 BFED CC[C@@H]1C[C@H](C)CCC1=NNC(=S)N(C)C 769587889 ZNRIGJBDDUBPGC-NXEZZACHSA-N 241.404 2.625 30 20 BFED CC1(C)CCC[C@H]1C(=O)OCCCC#N 772611471 XZAOEWXMVQCFPC-JTQLQIEISA-N 209.289 2.660 30 20 BFED C#CCN(CC)C[C@@H](C)c1ccc(OC)cc1 775661175 KHYCIGFEPLKGAP-CYBMUJFWSA-N 231.339 2.754 30 20 BFED C=CCN(Cc1ccccc1O)C(C)C 778996415 ODUXSHUFLDIKCA-UHFFFAOYSA-N 205.301 2.789 30 20 BFED C#CCOCCOC(=O)C1(C)CCCCCC1 781458762 CSZQBWWKFYMOMG-UHFFFAOYSA-N 238.327 2.540 30 20 BFED C[C@H](C#N)CNc1nc2ccccc2cc1C#N 781663981 OMHNKTMUGOGBHQ-SNVBAGLBSA-N 236.278 2.678 30 20 BFED C/C=C(/C=C\C(=O)NCC(C)(C)C#N)CC 782100427 RSVAUCBKGQXGFE-LTCQKBRTSA-N 220.316 2.565 30 20 BFED CO[C@H](C(C)=NNCC(F)F)c1ccccc1 782232689 PBKRCHNXTSJUGU-GFCCVEGCSA-N 242.269 2.605 30 20 BFED CC1(C=NNc2cc(Cl)ccn2)CC1 782266876 DWGCUOLDHYXKEA-UHFFFAOYSA-N 209.680 2.933 30 20 BFED Cn1ccc(C=NN[C@@H]2CCCC2(C)C)c1 782300011 KJJGSZMULFBBOP-GFCCVEGCSA-N 219.332 2.527 30 20 BFED CC[C@H]1CCC[C@H](C=NN2CCCNC2=O)C1 783861076 CRGZDBIYONCUSC-RYUDHWBXSA-N 237.347 2.604 30 20 BFED CC[C@H](C)NN=Cc1ccc2ccccc2n1 790191344 VVWHTRUOKYRIQS-NSHDSACASA-N 227.311 2.957 30 20 BFED C[C@@H](NN=Cc1ccc(C#N)o1)C(C)(C)C 793112983 YRSKECYGQITQHY-SECBINFHSA-N 219.288 2.509 30 20 BFED C[C@H]1CC[C@@H](CNC(=O)C#Cc2ccccc2)C1 794250993 KWBOLWJEODQADC-DZGCQCFKSA-N 241.334 2.591 30 20 BFED CC(=NNc1cncnc1)c1cc(C)c(C)o1 794971858 KEATUSFSYWHCFJ-UHFFFAOYSA-N 230.271 2.523 30 20 BFED CC(Cc1ccccc1C)=NNc1cncnc1 794979695 PJSSYQCGAHHBLH-UHFFFAOYSA-N 240.310 2.816 30 20 BFED COCCCON=C1CCc2cc(C)ccc21 795053974 VTXNJMGTJDYTLD-UHFFFAOYSA-N 233.311 2.698 30 20 BFED C=CCOCCOC(=O)[C@H](CCC)C(C)C 797296348 FPIDVTLCRCZFQR-GFCCVEGCSA-N 228.332 2.805 30 20 BFED CC[C@@H]1CC[C@@H](C)CC1=NNC[C@@H](C)C#N 797401101 AXEHXSIOQRJTTP-GRYCIOLGSA-N 221.348 2.938 30 20 BFED CCC#C[C@@H](C)N1CCCC2(CCN(C)CC2)C1 799177572 VIRPOTCIVHKTEA-OAHLLOKOSA-N 248.414 2.596 30 20 BFED C=C(C)CN(CC(=O)OCC)c1ccc(C)cc1 799198421 UGJZTHXQOQNEHW-UHFFFAOYSA-N 247.338 2.941 30 20 BFED Cc1cc(C(=O)/C=C\c2ccn(C)n2)oc1C 799896746 YIUVOKXBRGENKY-PLNGDYQASA-N 230.267 2.526 30 20 BFED Cc1cc(C(=O)/C=C\c2cnn(C)c2)oc1C 799896788 KIONICULYRPVKX-PLNGDYQASA-N 230.267 2.526 30 20 BFED C=C[C@](C)(CC)C(=O)OCCOCC(C)C 800211812 NEXUPTOQBSKNCE-CYBMUJFWSA-N 228.332 2.805 30 20 BFED CO[C@@H](C)C(C)=NNc1nccnc1C1CCC1 807992651 JBZOGPJKNIYQQI-JTQLQIEISA-N 248.330 2.567 30 20 BFED C#Cc1ccc(CNC2(CC)CCOCC2)cc1 809635681 ZPFPWNDDCIOUHR-UHFFFAOYSA-N 243.350 2.717 30 20 BFED COC1(C=NOC/C=C/Cl)CCCC1 811670015 MDWDMULOUGIDCG-KDTVQIHFSA-N 217.696 2.701 30 20 BFED C#CC[C@H](NC(=O)CCCC#N)c1ccccc1 812538402 OWCNFNRVKHLKHP-AWEZNQCLSA-N 240.306 2.561 30 20 BFED Clc1ccc(C=NOCCC2CC2)cn1 814245267 ODZODRUTFQBRAD-UHFFFAOYSA-N 224.691 2.886 30 20 BFED Clc1nccnc1NN=C1CC[C@H]1C1CC1 814850183 BTFOMJZUDOTIRT-QMMMGPOBSA-N 236.706 2.718 30 20 BFED COc1cc(C)nc(NN=CCCC(C)C)n1 814862050 FDYHBSBORMNNQW-UHFFFAOYSA-N 236.319 2.628 30 20 BFED CC(Cc1ccc(O)cc1)=NO[C@H]1CCCCO1 814887691 KQNQSHLWXCOECN-AWEZNQCLSA-N 249.310 2.854 30 20 BFED C[C@H]1CCC(=NNc2cccc(F)n2)C1 814927864 KPGDFUXAICUWFR-QMMMGPOBSA-N 207.252 2.809 30 20 BFED CCC[C@H](C)OC(=O)c1ncc(C#N)cc1C 815338521 CYXDLLQBTHDERN-JTQLQIEISA-N 232.283 2.607 30 20 BFED C#Cc1cnc(N2CCc3ccccc3[C@H]2C)nc1 819918934 DBSWXJSJWSEBFH-GFCCVEGCSA-N 249.317 2.582 30 20 BFED C[C@H]1CCCC[C@@H]1NC(=O)C#Cc1cccs1 823608189 DWIPQJMTRKSIBQ-AAEUAGOBSA-N 247.363 2.795 30 20 BFED Cc1ccc(C#N)cc1C(=O)NCCC(C)(C)F 825258612 YLXBEEAJMHWHOI-UHFFFAOYSA-N 248.301 2.735 30 20 BFED C#C[C@H](NC(=O)N[C@H](C)CCC)c1ccccc1 825547862 SZLRBEROZSWAEK-OCCSQVGLSA-N 244.338 2.849 30 20 BFED N#Cc1ccc(F)c(C(=O)N[C@H]2CC=CCC2)c1 828224372 GCJBZGGBAIIXBU-NSHDSACASA-N 244.269 2.536 30 20 BFED C=C[C@](C)(O)C(=O)NCC(C)(C)CCCCC 829907736 HNEMAHLHXRLLJY-AWEZNQCLSA-N 241.375 2.646 30 20 BFED C#C[C@@H](CC)NC(=O)c1ccsc1Cl 834381021 FDJRFEMIJUELJU-ZETCQYMHSA-N 227.716 2.543 30 20 BFED Cc1cccc(NN=C2C[C@@H](C)O[C@H]2C)c1 834914665 AYVZTEOAJLOOLV-MNOVXSKESA-N 218.300 2.960 30 20 BFED C[C@H]1CC(=NNc2cccc(F)n2)C[C@@H](C)O1 834977575 NVQKEXCQEPXZFW-DTORHVGOSA-N 237.278 2.576 30 20 BFED C=CCONC(=O)Nc1ccc(F)c(CC)c1 836612766 GIKIOLBFLLRBFB-UHFFFAOYSA-N 238.262 2.627 30 20 BFED C=CCONC(=O)C[C@@H](C)C1CCCCC1 837046501 LMJGJQOEGCCLMY-LLVKDONJSA-N 225.332 2.827 30 20 BFED C=CCCCCOC(=O)c1cc(CO)oc1C 837364905 HACAKJCNJUMXRU-UHFFFAOYSA-N 238.283 2.593 30 20 BFED C=C(Cl)CN[C@H]1CCCO[C@H]1CC(C)C 839563859 PIOQEWGEQZDOOB-RYUDHWBXSA-N 231.767 2.922 30 20 BFED C=C(C)CCNC(=S)N[C@@H]1CCCC[C@@H]1C 840793600 VHFMZXHEKJQBGQ-NWDGAFQWSA-N 240.416 2.995 30 20 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WQQHZNFQWXJYRM-NSHDSACASA-N 215.300 2.862 30 20 BFED C=C(C)CN(CC)C(=O)CSCC(=C)Cl 853783580 WDZKHMOIIDSBJC-UHFFFAOYSA-N 247.791 2.897 30 20 BFED C#CCCc1noc(-c2cc(COC)cs2)n1 854030782 HYFQGZAODIZXAO-UHFFFAOYSA-N 248.307 2.510 30 20 BFED CC#CC(=O)Nc1ccc(C(F)(F)F)c(C)c1 854513983 QJZGRFDXVMQTCP-UHFFFAOYSA-N 241.212 2.976 30 20 BFED CC[C@H](C)C=NNc1ncc(Cl)cn1 857221138 VORAUCOZKXEDDF-ZETCQYMHSA-N 212.684 2.574 30 20 BFED CCC(C#N)(CC)C(=O)OCc1cncc(C)c1 860198438 UNKPJRIGXDKJPN-UHFFFAOYSA-N 246.310 2.763 30 20 BFED C#CCOC(=O)CCc1ccc(Cl)c(F)c1 860419099 WPJZWUMQTIKNJG-UHFFFAOYSA-N 240.661 2.588 30 20 BFED C=C(C)CON=C1CCC(CC(=O)OC)CC1 863122927 AIJPGLYPFXWNPK-UHFFFAOYSA-N 239.315 2.688 30 20 BFED CCCCCCCNC(=S)NCCSC 863199905 ONEALYHWNIGOEY-UHFFFAOYSA-N 248.461 2.784 30 20 BFED COc1ccc(OCC#N)c(C(F)(F)F)c1 863359313 FCWGVKSBOYRYNB-UHFFFAOYSA-N 231.173 2.616 30 20 BFED C[C@@H](C#N)C(=O)N[C@@H]1CCc2ccc(Cl)cc21 863640499 PEKMBEZLESZMEW-QPUJVOFHSA-N 248.713 2.603 30 20 BFED CC[C@@H](C)NN=Cc1cccc([N+](=O)[O-])c1C 872368617 LKEHRCZGEGLMOY-SECBINFHSA-N 235.287 2.625 30 20 BFED C=C1CCC(C(=O)NC2CCSCC2)CC1 888632473 RHNZGAFZXAOPAG-UHFFFAOYSA-N 239.384 2.745 30 20 BFED C#Cc1cncc(-c2noc(C[C@H](C)CC)n2)c1 896564432 QRTYSEKNFHSHCX-SNVBAGLBSA-N 241.294 2.702 30 20 BFED C=CCCCCC[C@H](C)NC[C@@H]1CCN1C 903317859 NPDSZPZHXAERFU-KBPBESRZSA-N 224.392 2.805 30 20 BFED C[C@H](C#N)CN(C)[C@H]1C[C@@H]1c1cccc(F)c1 906592502 QGCWPQJITMJFPM-HONMWMINSA-N 232.302 2.773 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@H](C)c1c(C)n[nH]c1C 910071491 WSKXZEUIJYCGFM-YMTOWFKASA-N 249.358 2.806 30 20 BFED CC(CCc1cccc(C)c1)=NN1CCOCC1 920359226 VWXWRDKRWIIQRM-UHFFFAOYSA-N 246.354 2.636 30 20 BFED Cc1n[nH]cc1CCCN[C@H](C)CC(C)(C)C#N 924630678 AUCPIJLQRWOXQB-LLVKDONJSA-N 248.374 2.569 30 20 BFED CC1(C)CCC[C@@H](C(=O)N2CCC[C@H](C#N)C2)C1 928222768 WBIMFYMHZNQXFU-CHWSQXEVSA-N 248.370 2.965 30 20 BFED C=CCN(CCC#N)Cc1coc(C(C)(C)C)n1 930542054 QYDNLPGCWZKGQY-UHFFFAOYSA-N 247.342 2.874 30 20 BFED CCC[C@H](C#N)NC(=O)[C@@H](C)c1ccccc1C 931328622 DYXMANQQAPZIMT-QWHCGFSZSA-N 244.338 2.907 30 20 BFED C=C[C@H](CC)CC(=O)NN1[C@@H](C)CCC[C@@H]1C 935814371 QWWQPNLCKOVBQN-RWMBFGLXSA-N 238.375 2.883 30 20 BFED C=C[C@@H](CC)CC(=O)NN1[C@@H](C)CCC[C@H]1C 935814373 QWWQPNLCKOVBQN-XQQFMLRXSA-N 238.375 2.883 30 20 BFED CCN(C(=O)C1C[C@H]2CCC[C@H](C1)C2)[C@@H](C)C#N 1118845686 MJWKWAMCIXOLNY-AVGNSLFASA-N 248.370 2.963 30 20 BFED N#Cc1cc(Cl)ncc1NC(=O)CCC1CC1 1121209051 BXJJZLPRXSLMPW-UHFFFAOYSA-N 249.701 2.735 30 20 BFED C=C(CC)CNC(=O)N1CC[C@@H]1C(C)(C)C 1122023556 NBVPXJBUCJXYDQ-LLVKDONJSA-N 224.348 2.783 30 20 BFED C=CC(C)(C)C(=O)OCC1(Br)CC1 1263503675 YDPPUMSCBSRFNO-UHFFFAOYSA-N 247.132 2.669 30 20 BFED C[C@H]1[C@H](C)CCN1C(=O)CC#Cc1ccccc1 1319128412 RYJOKTNMWKNBSI-KGLIPLIRSA-N 241.334 2.685 30 20 BFED C/C=C/C=C\C(=O)Nc1cnc(Cl)cc1C#N 1326972689 HQMTVUCDLMCYIE-IAROGAJJSA-N 247.685 2.677 30 20 BFED Cc1cc(C#N)cc(NC(=O)C[C@H]2C=CCC2)n1 1331317841 NXJHKBJGGFBXJW-NSHDSACASA-N 241.294 2.557 30 20 BFED 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30 20 BFED CC(C)(CCC#N)CNc1ccc2[nH]nnc2c1 157559044 RJGYPVWLMYCRLG-UHFFFAOYSA-N 243.314 2.700 30 20 BFED C=C(Cl)CN[C@@H](C)c1ccccc1O 163991020 MVCYQRZUDCIPSP-VIFPVBQESA-N 211.692 2.795 30 20 BFED C#CCCCOC(=O)c1ccc(SC)cc1 170712835 WIVNKUOERVPYGH-UHFFFAOYSA-N 234.320 2.979 30 20 BFED N#CCCCCNC(=O)N1CCCCCCC1 170887268 RLDQWQWEJKSADI-UHFFFAOYSA-N 237.347 2.656 30 20 BFED C#Cc1cccc(NC(=O)CCCC=C)c1 175186697 RWFVYDROSWDLKS-UHFFFAOYSA-N 213.280 2.963 30 20 BFED C=CCCCC(=O)N[C@@H](C)CC(C)(C)OC 175874407 XPVUCOCOOQWYLD-NSHDSACASA-N 227.348 2.663 30 20 BFED CC[C@H](C#N)OC(=O)c1cc2c(s1)CCC2 175997535 CJIKCEYMMPUGPN-SECBINFHSA-N 235.308 2.696 30 20 BFED CC(C)=CC(=O)Nc1ccc(F)cc1C#N 177561916 ZKELWHXBERCQTB-UHFFFAOYSA-N 218.231 2.602 30 20 BFED COc1ccc(-c2noc(C(C)(C)C#N)n2)cc1 177724023 XPFTUBXFSKHIIW-UHFFFAOYSA-N 243.266 2.546 30 20 BFED CC(C)[C@@H](C)C(=O)Oc1ccc(C#N)cc1F 178559374 PRPFEASMGKWYOB-SECBINFHSA-N 235.258 2.895 30 20 BFED C=CCCC[C@@H](C)NC(=O)NCc1cccnc1 183500732 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2.597 30 20 BFED Cc1ncsc1CCON=C1CCC1 267041862 CTNLGSJKHJKFFW-UHFFFAOYSA-N 210.302 2.551 30 20 BFED C=CCCCN(CCCO)Cc1ccccc1 268963659 JMWGWKAGGAMWAP-UHFFFAOYSA-N 233.355 2.837 30 20 BFED CC/C=C(\C)C(=O)N1CCc2ccc(C#N)cc21 270154989 BNTBEMBQMCHHAU-NYYWCZLTSA-N 240.306 2.804 30 20 BFED C[C@H](C#N)CN(C)Cc1csc(C2CC2)n1 270341640 QRVCBNKDTFYXOK-SECBINFHSA-N 235.356 2.612 30 20 BFED C#CCCCN1CCc2ccsc2C1 271049476 PFUZTCRYZGFYOF-UHFFFAOYSA-N 205.326 2.520 30 20 BFED C#CCCCNC1(c2cccc(F)c2)CC1 271833032 USHSCNDKGQWHOR-UHFFFAOYSA-N 217.287 2.818 30 20 BFED CC1(C)C[C@H](Nc2ccc(C#N)nc2)C(C)(C)O1 272250569 SQFNCNJIYFUMOM-LBPRGKRZSA-N 245.326 2.711 30 20 BFED C=CCCCCNC(=O)c1ccccc1C(C)=O 274709330 PTCASXFOSNOOEG-UHFFFAOYSA-N 245.322 2.975 30 20 BFED C[C@@H]1CC[C@H](CSc2ccc(C#N)cn2)O1 276414472 AEBNGGDLEJEGJP-MWLCHTKSSA-N 234.324 2.613 30 20 BFED C#C[C@H](NC(=O)C[C@@H]1C=CCCC1)C(C)C 282347583 ZRZKXHBILIGEPM-OLZOCXBDSA-N 219.328 2.507 30 20 BFED C=CCCCCNc1ccnc2c1cnn2C 287041738 WMSKSGAMIPEBEB-UHFFFAOYSA-N 230.315 2.737 30 20 BFED C#C[C@H](NCc1ccc(C)s1)C(C)C 289612197 VVGOECCVFFWQQK-LBPRGKRZSA-N 207.342 2.804 30 20 BFED C=C(C)CCN(C)Cc1conc1CC 292869645 AYCZOBGAODNZMI-UHFFFAOYSA-N 208.305 2.635 30 20 BFED CCCN(CC#N)Cc1ccc(N(C)C)c(C)c1 293105160 OCCIZVGIGUFPRX-UHFFFAOYSA-N 245.370 2.797 30 20 BFED C=CCN(CCC#N)C(=O)c1ccc(F)c(C)c1 293935370 UKSKGHNKSLMTCP-UHFFFAOYSA-N 246.285 2.676 30 20 BFED CC1=CCCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 295052596 BOJBIUGKSFEAOS-OAHLLOKOSA-N 244.338 2.639 30 20 BFED CC(C)(C)[C@@H](NCC#N)c1ccccc1 298768208 DHRCMRXUCUDLNI-LBPRGKRZSA-N 202.301 2.887 30 20 BFED N/C(=N\CC[C@H]1C[C@H]2CC[C@H]1C2)N1CCCCC1 303898738 VRNNBOSRVYRZFA-IHRRRGAJSA-N 249.402 2.613 30 20 BFED C#CCCCCNc1ccsc1[N+](=O)[O-] 308861434 AKKWJTVPZGSYLL-UHFFFAOYSA-N 224.285 2.872 30 20 BFED CCC#C[C@H](C)N[C@@H](C)c1cccnc1 309119502 NAHKUJCVVQDSKN-RYUDHWBXSA-N 202.301 2.534 30 20 BFED C=CCC[C@H](O)CN[C@@](C)(CC)C(F)(F)F 309575644 OUWAHPSIGWXADI-UWVGGRQHSA-N 239.281 2.634 30 20 BFED C=C(CC)CNc1cccc(C[S@](C)=O)c1 309981134 WDWAASSLZUUSFS-INIZCTEOSA-N 237.368 2.943 30 20 BFED CC1(C)SC[C@H]1/N=C(/O)C1(C#N)CCC1 328760599 XOIRTTRTKWNLKA-MRVPVSSYSA-N 224.329 2.531 30 20 BFED C=CCNC(=O)N1C[C@H]2CC[C@H]1c1ccccc12 334343075 LRJLRUXYPHAMHB-RISCZKNCSA-N 242.322 2.816 30 20 BFED C=C[C@H]1CCCCN1c1ncc(C(F)F)cn1 334676873 SJEQLUOLGRIAFL-JTQLQIEISA-N 239.269 2.959 30 20 BFED Cc1ccncc1CN[C@@H]1CCC[C@H](C#N)C1 334678005 CKAUKEZHFCFYJH-GXTWGEPZSA-N 229.327 2.562 30 20 BFED C[C@@H]1C[C@@]1(C#N)C(=O)N1CCC2(CCCCC2)C1 334742478 PMRXBZPGSZJAPZ-DOMZBBRYSA-N 246.354 2.719 30 20 BFED CC1(F)CC(N[C@@H]2CCC[C@@H](C#N)C2)C1 335374273 RXHFBGXEHOVQTP-QYNFOATHSA-N 210.296 2.549 30 20 BFED Cc1cc(CNC2CCSCC2)ccc1C#N 335383263 BWHKHCKXTJJENM-UHFFFAOYSA-N 246.379 2.852 30 20 BFED C=C[C@H](C)NC(=O)Nc1cc(F)ccc1C 335865796 CSALLPCAEJVUNR-VIFPVBQESA-N 222.263 2.830 30 20 BFED C[C@H](C#N)C(=O)N1CCC[C@H]1C1CCCCC1 335998421 CQPJVSCWXQANNC-YPMHNXCESA-N 234.343 2.717 30 20 BFED CC(C)(NC(=O)c1cc(C#N)cs1)C1CC1 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C[C@H]1CC(=NNc2cc(Cl)ccn2)[C@@H](C)O1 834971730 ZGYUQTUGLRNXLF-JGVFFNPUSA-N 239.706 2.700 30 20 BFED COCC1CCC(=NOC/C=C\Cl)CC1 834979335 NCGYLUFRXMFLJS-RAICGKKJSA-N 231.723 2.948 30 20 BFED CCC(=NNC[C@@H]1CCSC1)c1ccncc1 834981101 XPCOXXXKCOWVCC-NSHDSACASA-N 249.383 2.538 30 20 BFED CC(=NN[C@H](C)C(C)(C)C)[C@H]1C[C@H]2CC[C@H]1O2 834981402 OJSQEERWJBFJKD-FDYHWXHSSA-N 238.375 2.954 30 20 BFED C[C@H]1CCCCC1=NNc1ccc(C(=O)O)nc1 835006467 FONZRUIZUOLTRO-VIFPVBQESA-N 247.298 2.758 30 20 BFED CC/C(C)=C/C(=O)[C@@H](C#N)c1cc(C)nc(C)n1 835059978 NEZDRIOIMMXELX-LZGFCCKTSA-N 243.310 2.626 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C)c1ccccc1 835107037 YPKYMBALVKLAKX-YUTCNCBUSA-N 246.306 2.882 30 20 BFED C#CCCCCCCOC(=O)[C@@H]1CCCOC1 835710407 GKSDLAGSZLIBCR-CYBMUJFWSA-N 238.327 2.540 30 20 BFED C#CCCCNC(=O)N1CCCCCCCC1 836329029 BDALDBIREFECME-UHFFFAOYSA-N 236.359 2.766 30 20 BFED C[C@H]1CCN(C(=O)C#CC(C)(C)C)C[C@H]1C 837508844 OBUJBUCNXHGPNC-NWDGAFQWSA-N 221.344 2.540 30 20 BFED c1ccc([C@@H]2CCCCC2=Nn2cnnc2)cc1 839382845 ZLULVILMRVIUCM-ZDUSSCGKSA-N 240.310 2.840 30 20 BFED C=CC(C)(C)CNC(=S)NC1CCCCC1 840796677 MSVIFVJDJVJRPO-UHFFFAOYSA-N 240.416 2.995 30 20 BFED C[C@H]1CC(=NNc2cccc(Cl)c2)CO1 842519103 GDCCZLJKPVNZKY-QMMMGPOBSA-N 224.691 2.917 30 20 BFED COCC(CC(C)(C)C)=NO[C@@H]1CCCCO1 844588677 FMYRVBXBIXKMQL-GFCCVEGCSA-N 243.347 2.968 30 20 BFED C=C(C)CON=CC1(CC)CCOCC1 844618540 UXLGMSKCJNKHRU-UHFFFAOYSA-N 211.305 2.772 30 20 BFED C=C[C@@H](C)ON=Cc1ccc(N(C)C(C)C)nc1 844623567 COLXKEGTVKBKTQ-GFCCVEGCSA-N 247.342 2.851 30 20 BFED C/C(=C/c1ccco1)C(=O)N(C)C1(C#N)CCC1 846940958 ZUDUHWFOSFXKLM-LUAWRHEFSA-N 244.294 2.588 30 20 BFED CC[C@@H](C#N)OC(=O)/C(C)=C/c1ccco1 847656620 HGXASUPGURZGPA-PCYYEKQGSA-N 219.240 2.528 30 20 BFED C=C(C)CCNC(=N)NCCCCCC 849035229 AUXOPYFCJQYUAA-UHFFFAOYSA-N 211.353 2.647 30 20 BFED C=CC[C@H]1CCCN(C(=S)NCC(=C)C)C1 849279623 BTBQLOZLXHSTKX-LBPRGKRZSA-N 238.400 2.725 30 20 BFED C#Cc1ccc(CNCC2SCCS2)cc1 850401650 CDKMMEFTKBDTJU-UHFFFAOYSA-N 249.404 2.564 30 20 BFED C#CCOCCN(C1CC1)[C@H](C)[C@H](C)CC 851754005 YIPHTFQVMAAYDX-CHWSQXEVSA-N 223.360 2.535 30 20 BFED C#CCOCCSc1ccc(C#N)c(C)c1 853021296 IITUHXJTOFWRIK-UHFFFAOYSA-N 231.320 2.609 30 20 BFED C#Cc1cccnc1NCCOC1CCCCC1 853222052 DIAZFRCCMUOTCU-UHFFFAOYSA-N 244.338 2.824 30 20 BFED C#CCCCNc1cccnc1C(=O)CCC 853387046 HCOYASOMDBMBAV-UHFFFAOYSA-N 230.311 2.890 30 20 BFED CC1(C)C(=NOCC2CCC2)[C@@H]2CCCO[C@H]21 853440014 WCGLCWBGMGOREL-WCQYABFASA-N 237.343 2.994 30 20 BFED N#CC[C@@H]1CCCN(C(=O)C=C2CCCC2)C1 855260395 YWTPDPQKWZVCEN-ZDUSSCGKSA-N 232.327 2.639 30 20 BFED C=CCC(F)(F)C(=O)NCC[C@@H](C)CC 855390495 RVDRBYCYRIOWSW-VIFPVBQESA-N 219.275 2.750 30 20 BFED C=CCCONC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 856027562 QVTXZHKXSNZLOB-HIFRSBDPSA-N 245.322 2.804 30 20 BFED C#CCCOC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 858875790 MHRFUAKCQOCOFP-VOAKCMCISA-N 235.327 2.561 30 20 BFED Cc1cc(=NN=C2CC(C)(C)OC2(C)C)cc[nH]1 863159755 ZSULLDQIVDBSMX-UHFFFAOYSA-N 247.342 2.557 30 20 BFED Cc1cc(F)ncc1C(=O)OC1(CC#N)CCC1 870345003 RUKNWQBKAKQQDR-UHFFFAOYSA-N 248.257 2.522 30 20 BFED C#CCCCCCCNCCSCC#C 877050416 ZRAOHNJPGGSYJS-UHFFFAOYSA-N 223.385 2.526 30 20 BFED C=C/C=C/CCN(CC=C)[C@H](C)COC 878889747 HMXMMENYZPLDKT-SBDDDAINSA-N 209.333 2.642 30 20 BFED CC(C)(C#N)CC(=O)Nc1cc(C#N)ccc1F 891457075 WLAZLJOFFLIOOO-UHFFFAOYSA-N 245.257 2.576 30 20 BFED CC(C)(CCC#N)CN1CCC[C@H](CF)C1 895546978 ZYLPIJKSAHQYJO-GFCCVEGCSA-N 226.339 2.998 30 20 BFED C=C1CN(C(=O)[C@H](Cc2ccccc2)C(C)C)C1 898697235 RSFYRFPAKGGFMZ-OAHLLOKOSA-N 243.350 2.900 30 20 BFED Cc1nn(C(C)C)c(C)c1C=NOCC(F)F 901218000 VYPHTXAKBSEQCV-UHFFFAOYSA-N 245.273 2.696 30 20 BFED C=C[C@H](CC)Cc1nc(-c2nccc(C)n2)no1 904065283 SVURIBMWVAVVNA-SNVBAGLBSA-N 244.298 2.590 30 20 BFED CC(C)[C@H]1N(c2ccnc(C#N)c2)CC12CCC2 912167527 YPKQRTVGVISIBY-CQSZACIVSA-N 241.338 2.968 30 20 BFED N#CCCCCOC(=O)CC1CCCC1 912956545 JTJMZWGJWXERKK-UHFFFAOYSA-N 209.289 2.804 30 20 BFED C=C(C)CNc1cc(C(=O)OC)c(F)cc1F 914572529 GFNSVZOGCDBXDD-UHFFFAOYSA-N 241.237 2.739 30 20 BFED CC(CCN(C)C)=NNc1ccc(F)cc1F 915934167 SZBOQFNGWJAQOC-UHFFFAOYSA-N 241.285 2.704 30 20 BFED N#CCCCC(=O)Nc1cnn(C2CCCC2)c1 928792730 KPLKLUWKLKOHGT-UHFFFAOYSA-N 246.314 2.631 30 20 BFED C=C[C@H](CC)CC(=O)N1CCS[C@H](C)[C@H]1C 933132836 FZTQEKBXRPIUBD-IJLUTSLNSA-N 241.400 2.941 30 20 BFED C#CCCCNC(=O)[C@@H](C)c1ccccc1C 933690284 FAHBNMPNXWGXEQ-ZDUSSCGKSA-N 229.323 2.628 30 20 BFED C=C[C@H](CC)CC(=O)NC[C@H](O)C(CC)CC 934772649 MLWMQGAGQLFVKY-YPMHNXCESA-N 241.375 2.502 30 20 BFED C=CC(C)(C)CCOC(=O)c1ccnc(OC)c1 1123094614 NRUXQHURDFHSKM-UHFFFAOYSA-N 249.310 2.849 30 20 BFED CCc1[nH]nc(NC(=O)C(C#N)(CC)CC)c1C 1261826187 GIDHSEPTBOUTOF-UHFFFAOYSA-N 248.330 2.549 30 20 BFED CC(C)(F)COC(=O)c1csc(C#N)c1 1263384105 MAMXOYZUAFWKBP-UHFFFAOYSA-N 227.260 2.525 30 20 BFED C=C[C@@](C)(CC)C(=O)NC/C=C/C1CC1 1330460741 CCFDVZDVHRFHMO-YBJDMEARSA-N 207.317 2.671 30 20 BFED CC(C)(C)ON=C1CCOC2(CCOCC2)C1 1330885412 BVNRDXWMMXFWMN-UHFFFAOYSA-N 241.331 2.517 30 20 BFED CC1(CCNC(=O)c2ccc(C#N)cc2F)CC1 1335941213 PQVHLCYVLGLUHW-UHFFFAOYSA-N 246.285 2.617 30 20 BFED C=C(C)CCC(=O)NN1[C@@H](C)CCC[C@@H]1C 1337259385 PWOKHEQXKGIHQE-RYUDHWBXSA-N 224.348 2.637 30 20 BFED C#Cc1ccc(NCc2oc(CC)nc2C)nc1 1337880940 PNYXDRFDMYRRAE-UHFFFAOYSA-N 241.294 2.534 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)C1=C(C)CCC1 1339197666 SSYZTYNTEPPLOO-NSHDSACASA-N 220.316 2.637 30 20 BFED CC1(CCC(=O)[C@H](C#N)c2ccccn2)CC1 1341931378 MJLGWUDIQFNBLC-LLVKDONJSA-N 228.295 2.838 30 20 BFED COc1ccccc1C(=O)O[C@H](C#N)C(C)(C)C 1343175614 UACXNAGYZKCKQS-GFCCVEGCSA-N 247.294 2.790 30 20 BFED C=C(CC)C(=O)N1CCC[C@H]1c1cccn1C 1345546807 HALHMYFDACYGPY-ZDUSSCGKSA-N 232.327 2.655 30 20 BFED C=C[C@@H](CC)CC(=O)O[C@H](CC)CC#N 1345888134 RXIUHHDMUMKHEG-WDEREUQCSA-N 209.289 2.824 30 20 BFED C=C(C)CCC(=O)N(C)[C@@H](CO)CC(C)(C)C 1347115946 DMKQKNPUNJNKBR-GFCCVEGCSA-N 241.375 2.598 30 20 BFED C=C(CC)C(=O)Nc1c(C)cccc1O 1348187546 JMTSIXURZCBSSF-UHFFFAOYSA-N 205.257 2.605 30 20 BFED C[C@@H]1CC[C@@H](C(=O)N[C@@H](C#N)C2CCCC2)C1 1350858331 ZEJGAOBECDOBEZ-RTXFEEFZSA-N 234.343 2.621 30 20 BFED C#Cc1ccc(NC(=O)C[C@H](C)SC)cc1 1351916499 XFCHZAQEYSQJGN-JTQLQIEISA-N 233.336 2.748 30 20 BFED C=C(C)CCC(=O)N[C@H](C)[C@H](O)c1ccccc1 1358241307 YHXZLDBFDQNZRY-DOMZBBRYSA-N 247.338 2.581 30 20 BFED Cc1cccc(Cl)c1Cn1ccnc1C#N 1559389482 FDVUTSZCYPZOJP-UHFFFAOYSA-N 231.686 2.765 30 20 BFED C=CCCCCCN1C2CCC1(C(=O)O)CC2 1573366952 QIOLKJBGOITKRG-UHFFFAOYSA-N 237.343 2.814 30 20 BFED Cc1cc(N[C@H](C)c2ccc[nH]2)ncc1C#N 1655344537 WTKHCHXNJPSGRK-SNVBAGLBSA-N 226.283 2.763 30 20 BFED C=CC[C@]1(C(=O)O)CCCN(C[C@@H]2C=CCC2)C1 1776153293 BILQIIIDIAVRSX-HIFRSBDPSA-N 249.354 2.696 30 20 BFED Cc1ccc(C#N)c(NCCc2ccco2)n1 44419505 PFWHAEIYXBZWPM-UHFFFAOYSA-N 227.267 2.509 30 20 BFED CC(C)CCNC(=O)/C=C/c1ccccc1C#N 48392576 LNPKCDFGDMEDHU-BQYQJAHWSA-N 242.322 2.734 30 20 BFED C[C@H](Cc1ccsc1)NCCCCC#N 49578547 ZXPMOJAJNCZGOD-LLVKDONJSA-N 222.357 2.963 30 20 BFED Cc1ccc(N(C)CC#N)cc1Br 49829490 BQBUOUXXMHOEAZ-UHFFFAOYSA-N 239.116 2.717 30 20 BFED C=CCN(CC=C)Cc1noc(CCCC)n1 54316846 FZHYPPSREWHKNI-UHFFFAOYSA-N 235.331 2.586 30 20 BFED C/C=C/C=C/C(O)=N/c1nc(C(F)(F)F)n[nH]1 67660248 VEOLAWCSCFFVFS-MQQKCMAXSA-N 246.192 2.544 30 20 BFED Cc1cccc(C(=O)N[C@H](C#N)C(C)C)c1C 70987890 AZNBNXDLXPPVFB-CYBMUJFWSA-N 230.311 2.581 30 20 BFED CC(C)C[C@H](C)Nc1cccc(C#N)n1 81595420 BOOMSQGTWAKSMG-JTQLQIEISA-N 203.289 2.800 30 20 BFED COc1ccc(CN(CCC#N)C(C)C)cc1 88282565 HQDAKOBJUBQLKQ-UHFFFAOYSA-N 232.327 2.819 30 20 BFED C[C@@H]1CN(CCOc2ccccc2C#N)C[C@H]1C 91440288 MQSTWMJKUWVCQX-CHWSQXEVSA-N 244.338 2.525 30 20 BFED Cc1ccc(/C=C\C(=O)c2cnn(C)c2)cc1C 96298767 HFJRVXCWOULONY-SREVYHEPSA-N 240.306 2.933 30 20 BFED Cc1cc(C(=O)N[C@](C)(C#N)C(C)C)ccc1F 103433514 RYNXVWCSIANWQW-CQSZACIVSA-N 248.301 2.802 30 20 BFED C#CCCOC(=O)[C@H](C)CC1CCCC1 114618825 JBQMVNLKCSXPRD-LLVKDONJSA-N 208.301 2.769 30 20 BFED C=CCCCN1CCC[C@H](N2CCCC2)C1 118000674 ZXIVBCAKJVWGQS-AWEZNQCLSA-N 222.376 2.513 30 20 BFED C=CCC[C@H](NC[C@H]1CCCCO1)C1CC1 120545847 AXXLNODJNCKEGW-KGLIPLIRSA-N 223.360 2.890 30 20 BFED N#Cc1ccc(Cl)cc1OCC(F)F 126784952 CTXSBRTWMMXFDM-UHFFFAOYSA-N 217.602 2.856 30 20 BFED CCCCCCCC(=O)Nc1cnn(CC#N)c1 139469716 IEIKLDKTRCUXDT-UHFFFAOYSA-N 248.330 2.706 30 20 BFED CN(CC1CC1)[C@H](C#N)c1ccccc1 142259049 OYRLLVVAYVJZMJ-CYBMUJFWSA-N 200.285 2.593 30 20 BFED C[C@H]1CCN(c2ccc(C#N)cn2)CC1(C)C 142679346 GYDFGOBLGIUTPG-NSHDSACASA-N 229.327 2.826 30 20 BFED O=C1C[C@@H](C2CCC2)N(Cc2ccccc2)O1 150290967 MINAQWQSFRFQFY-ZDUSSCGKSA-N 231.295 2.519 30 20 BFED C=CCC(CC=C)C(=O)Nc1nc(C)ns1 151002861 IBIIOOMFDVTIBD-UHFFFAOYSA-N 237.328 2.553 30 20 BFED CCCCCC[C@H](C)NC(=O)c1ccc(C#N)[nH]1 154755904 JHGVUNBMUKUCPQ-NSHDSACASA-N 247.342 2.975 30 20 BFED C=CCN(C)Cc1ccc(O[C@H](C)C#N)cc1 154789505 DLJJJVLFXOBUQH-GFCCVEGCSA-N 230.311 2.595 30 20 BFED N#Cc1ccc(OC(=O)[C@@H]2CC=CCC2)c(F)c1 157954894 CACHWRDGZXBFKA-LLVKDONJSA-N 245.253 2.959 30 20 BFED C=C(C)CNC(=O)c1cnc(C(C)C)s1 161020191 CIRBZPXKSUFHSW-UHFFFAOYSA-N 224.329 2.572 30 20 BFED C=C(C)CNC(=O)C[C@@H](C)c1ccccc1 161155379 AWYVPYFZCPQGDJ-GFCCVEGCSA-N 217.312 2.873 30 20 BFED C=CCN(C)C(=O)/C=C(\C)c1ccccc1OC 161382446 QJLFGIJKBNXHRD-VAWYXSNFSA-N 245.322 2.743 30 20 BFED CC#CCSCc1cc(C(=O)OC)c(C)o1 166526923 ILCBHSJQCDUNDR-UHFFFAOYSA-N 238.308 2.631 30 20 BFED CC#CCSCc1cccc(OC)c1 172920815 SVPQNIBSNWOOJI-UHFFFAOYSA-N 206.310 2.952 30 20 BFED C[C@H]1CCC[C@@](C#N)(NC(=O)CC2CCC2)C1 173525240 RXBLMNJISBUEDW-SMDDNHRTSA-N 234.343 2.765 30 20 BFED C#CCCCNCc1cccc(OC(C)C)c1 174610290 KXYDDJVZJYAWDW-UHFFFAOYSA-N 231.339 2.977 30 20 BFED C=CCCCC(=O)Nc1ncc(C)s1 175164972 ISRKFIFBJREAJN-UHFFFAOYSA-N 210.302 2.746 30 20 BFED C[C@H](C#N)CN[C@@H](C)CCc1ccccc1F 185574279 JKWPANGMFBXIRL-NEPJUHHUSA-N 234.318 2.896 30 20 BFED C[C@H](NCc1cc(C#N)n(C)c1)C1CCCC1 189593235 VEEXTZSIBYBGEG-NSHDSACASA-N 231.343 2.565 30 20 BFED C/C(=C\C(=O)N[C@@H](C)CC#N)c1ccc(F)cc1 194625399 JPQFPACEDUIHJC-USKTWTLRSA-N 246.285 2.647 30 20 BFED 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BFED C=C(C)CCNc1cc(OC)ccc1C(=O)OC 589055829 DDCCWEKAZXZAQJ-UHFFFAOYSA-N 249.310 2.860 30 20 BFED CN(Cc1ccsc1)[C@@H]1CC[C@H](C#N)C1 590153828 BKARIOZCAGSHIO-CMPLNLGQSA-N 220.341 2.872 30 20 BFED C[C@@H]1CCCN(c2c(C#N)cccc2[N+](=O)[O-])C1 591817248 VMRMPYPBEKCUME-SNVBAGLBSA-N 245.282 2.703 30 20 BFED C=CC[C@@H]1CCCN(Cc2ccc(C#N)cn2)C1 595661040 WQTYFXCYZGHTEE-CYBMUJFWSA-N 241.338 2.741 30 20 BFED N#CCc1ccc(CN2CC[C@@H]3C[C@@H]3C2)cc1 595810226 KXZCDZOWZUJGII-HUUCEWRRSA-N 226.323 2.594 30 20 BFED CC(C)C[C@H]1CCCN(c2cc(C#N)cnn2)C1 596157752 DRWXRUBEXZCNAI-GFCCVEGCSA-N 244.342 2.611 30 20 BFED CCCC[C@@H](CC)C(=O)N(CC)[C@H](C)C#N 598351658 FGXRKTGWVJEMDX-VXGBXAGGSA-N 224.348 2.963 30 20 BFED CCC[C@H](C)CC(=O)N(CC)[C@@H](C)C#N 598356585 RUUVHJMZDYPIRT-QWRGUYRKSA-N 210.321 2.573 30 20 BFED CCC(C#N)(CC)c1nc([C@@H]2CC[C@H](C)O2)no1 599177258 LQSMWNCLMPFBAD-UWVGGRQHSA-N 249.314 2.891 30 20 BFED Cc1cc(O)cc(NC(=O)C2(C#N)CCCC2)c1 600766887 NLUWJIKUOAGHIZ-UHFFFAOYSA-N 244.294 2.723 30 20 BFED 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C=CCCN1CCOc2c(F)cccc2C1 375915921 HKNMZCPKKIVOTC-UHFFFAOYSA-N 221.275 2.596 30 20 BFED CC[C@H](C)C(=O)N1CCC(CCC#N)CC1 399355734 GTWYEEMNXSECOY-NSHDSACASA-N 222.332 2.575 30 20 BFED CC[C@H]1CN(Cc2cccc(C#N)c2)[C@@H](C)CO1 404003448 UUXNHMACPCIHSZ-WFASDCNBSA-N 244.338 2.558 30 20 BFED CCCc1occc1C(=O)N(C)[C@@H](C#N)CCC 410832916 FJIFZUFQTHRGIY-LLVKDONJSA-N 248.326 2.996 30 20 BFED C=CCN(C)CCN(CC)[C@@H]1C=CCCC1 411646124 USLSPRGUAMMZSW-CQSZACIVSA-N 222.376 2.535 30 20 BFED CC(C)c1ncc(CN(C)[C@@H](C)CCC#N)cn1 411670350 GLHPOTVSMKQJSV-LBPRGKRZSA-N 246.358 2.724 30 20 BFED C=C(C)CNC(=O)Cc1cccc(C2CC2)c1 412259167 LBWZMDQDWQIUOQ-UHFFFAOYSA-N 229.323 2.799 30 20 BFED C=CCc1ccc(OC[C@H]2C[C@@H](O)C2)c(OC)c1 421182155 LMQSHZDZZUFBTD-BETUJISGSA-N 248.322 2.573 30 20 BFED Cc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)o1 424336689 YIRMJLIURNPQKH-GRYCIOLGSA-N 218.300 2.931 30 20 BFED C=CCC1(C(=O)N[C@H](C)CCOC)CCCC1 449831501 WIZOBXVZXJENCA-GFCCVEGCSA-N 239.359 2.664 30 20 BFED C=CC[C@@H](C)NC(=O)CC1CC(F)(F)C1 449887061 ISHAFBNRMWDIAG-MRVPVSSYSA-N 217.259 2.503 30 20 BFED C=CCCN(C)C(=O)[C@@H]1CC12CCSCC2 451066339 WQSQSUWTCMNSHL-NSHDSACASA-N 239.384 2.554 30 20 BFED F[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 451203680 ZXLKELSYJQWIAO-CYBMUJFWSA-N 237.705 2.735 30 20 BFED C=C(C)CCNC(=O)NC[C@H]1CCC(F)(F)C1 454889603 QVZYBUMMWRFQAS-JTQLQIEISA-N 246.301 2.687 30 20 BFED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]1C(C)C 458113839 YBIGXHFVKONPCH-WDEREUQCSA-N 209.333 2.749 30 20 BFED C=CCN(C)C(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C 483381357 OHBIMEWMQGFEFP-XQQFMLRXSA-N 238.375 2.886 30 20 BFED C#C[C@@H](C)N(C)Cc1csc(C(C)C)n1 491672550 UFGIXFRMANHBRW-SNVBAGLBSA-N 222.357 2.720 30 20 BFED C=C(C)CN(CC)C(=O)C1CC(C)(C)C1 505362814 UBMAPDHTHHKLEU-UHFFFAOYSA-N 209.333 2.847 30 20 BFED C=CCCCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 545310402 HJCWOYQDKUJJFT-RWMBFGLXSA-N 221.344 2.895 30 20 BFED C=CCCC1(C(=O)Nc2nc(CC)co2)CC1 568898910 SCEARMXUYMXHJS-UHFFFAOYSA-N 234.299 2.922 30 20 BFED CC(C)OCCCSc1cccnc1C#N 570862039 GDEUVCJFZSGCKX-UHFFFAOYSA-N 236.340 2.860 30 20 BFED CC[C@](C)(C#N)NC(=O)c1ccc(C(C)C)cn1 574096881 PCHZITQRFROGIG-CQSZACIVSA-N 245.326 2.627 30 20 BFED CCCC(=O)N[C@](C)(C#N)C1CCCCC1 575895967 BLHPSHMHFHIZOO-CYBMUJFWSA-N 222.332 2.765 30 20 BFED CC1CCC(N(C)c2ccc(C#N)c(N)n2)CC1 579495279 VCQWEVFNVBFUAY-UHFFFAOYSA-N 244.342 2.550 30 20 BFED CC[C@H](CC#N)NCC#Cc1ccc(Cl)cc1 581378108 YURGYMYDKJKJCJ-CQSZACIVSA-N 246.741 2.973 30 20 BFED N#CCCCCCC(=O)Nc1ccccc1C#N 588812642 YATDSEKTSOETCK-UHFFFAOYSA-N 241.294 2.971 30 20 BFED Cc1cc(CN2CC(C(F)F)C2)ccc1C#N 590968912 MVUBWOMCWZBNSG-UHFFFAOYSA-N 236.265 2.564 30 20 BFED Cc1ccncc1[C@H](C)N[C@H](C)CCC#N 591026616 KEGQQNOHOSFPLB-NEPJUHHUSA-N 217.316 2.733 30 20 BFED CC(C)(C)c1nccc(SCCC#N)n1 591184059 UWLGFPVPLJSTII-UHFFFAOYSA-N 221.329 2.780 30 20 BFED CC[C@H](C#N)C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C 593503737 BLLYSBMFGHPKEX-IJLUTSLNSA-N 236.359 2.867 30 20 BFED Cc1ccoc1CNCCc1ccc(C#N)cc1 594956703 YUFKHGRAEHYORW-UHFFFAOYSA-N 240.306 2.792 30 20 BFED CC[C@@H](CC(F)F)CN(C)C[C@@H](C)C#N 595301396 JYGQPIBLQARPHB-UWVGGRQHSA-N 218.291 2.759 30 20 BFED CC[C@H](CC#N)N[C@H](C#N)c1ccccc1 595529104 HMEZPGVPFMRWIP-CHWSQXEVSA-N 213.284 2.533 30 20 BFED Cn1ncc(C#N)c1NCCCC(C)(C)C 596135632 YAUPUPCVBDUWLR-UHFFFAOYSA-N 220.320 2.530 30 20 BFED Cc1nsc(N2C[C@@H]3CCCC[C@@H]32)c1C#N 596295567 XXCKCKMJTSBXKT-ONGXEEELSA-N 233.340 2.702 30 20 BFED CCN(C(=O)c1cc2ccccc2o1)[C@H](C)C#N 598346132 DZFUYOMRQVLKDG-SNVBAGLBSA-N 242.278 2.807 30 20 BFED C=CCCOCc1nc(Cc2ccccc2)no1 598536449 XXGOJHYDZADSDZ-UHFFFAOYSA-N 244.294 2.753 30 20 BFED CCC(C#N)(CC)C(=O)Nc1cccc(C)c1O 599712031 LGFXAQMKGCJCPW-UHFFFAOYSA-N 246.310 2.969 30 20 BFED CCc1ccc(F)cc1C(=O)N(CC)[C@H](C)C#N 601671241 QZUDHNNRHPDKCM-SNVBAGLBSA-N 248.301 2.762 30 20 BFED CCc1nocc1CN(C)C[C@@H](C)CCC#N 602677067 RLXQQAWDLVQBNT-NSHDSACASA-N 235.331 2.609 30 20 BFED N#CC1CCN(c2nc(Cl)cs2)CC1 606287801 WNJPEQOUAGMUTA-UHFFFAOYSA-N 227.720 2.536 30 20 BFED C[C@H](O)[C@H](C)S[C@@H](C#N)Cc1ccccc1 610287934 BGZKCMRBBKTYLJ-GMXVVIOVSA-N 235.352 2.624 30 20 BFED C=CCN1CCC[C@H]1Cc1cccc(OC)c1 613562732 BJDNOXJDTZHZMA-AWEZNQCLSA-N 231.339 2.888 30 20 BFED C=CCCNC(=O)c1ccc(OCC2CC2)cc1 617614739 MBHZBCDFMCJDBB-UHFFFAOYSA-N 245.322 2.781 30 20 BFED C=CC[C@@H]1CCCN(C(=O)c2c[nH]cc2C)C1 617787214 JKIPMVOGVRCJCT-GFCCVEGCSA-N 232.327 2.751 30 20 BFED C[C@@H]1C[C@H]1CN[C@H]1CCc2cc(C#N)ccc21 618831439 SBRZDWPCSGOJJA-DGFSRKRXSA-N 226.323 2.791 30 20 BFED Cc1cc(CN2CC(C(C)C)C2)ccc1C#N 619431169 UGUKXZFFIVFHOR-UHFFFAOYSA-N 228.339 2.955 30 20 BFED Cc1cnccc1N1CCC[C@@](C)(C#N)C1 619489810 OZYGHUPRWVHGLS-ZDUSSCGKSA-N 215.300 2.520 30 20 BFED C=CC(C)(C)c1nc(COC2CCC2)no1 634670926 LWSODLDZRBHYHY-UHFFFAOYSA-N 222.288 2.602 30 20 BFED C=CCC(CC=C)C(=O)N[C@@H]1CCS[C@@H]1C 648681413 NLAVKNLVNVZYLJ-ZYHUDNBSSA-N 239.384 2.765 30 20 BFED C=C[C@@H]1CCCCN1C[C@H]1CCCC[C@@H]1O 649594699 MWBMQSMPZBITRY-MCIONIFRSA-N 223.360 2.578 30 20 BFED C=CCCC(C)(C)NCc1cnc(C)n1C 657806355 MIFULKZAUPRATG-UHFFFAOYSA-N 221.348 2.563 30 20 BFED CC#CCCN1CCC([C@@H]2CCCCO2)CC1 661864250 ANMTUJTZMFZVST-HNNXBMFYSA-N 235.371 2.681 30 20 BFED C=CC[C@H]1CCCN(c2ccnc(C)n2)C1 664253707 RFZSTUVTIWFAII-LBPRGKRZSA-N 217.316 2.578 30 20 BFED COCC#CCN[C@H](c1ccccc1)C(C)C 677477083 PGKIAVYRFYTYKB-HNNXBMFYSA-N 231.339 2.623 30 20 BFED CC[C@@H](C)[C@H]1CCCCN1CC#CCOC 677818186 WDIVQFHWEBHAFH-ZIAGYGMSSA-N 223.360 2.537 30 20 BFED C=CCCC[C@@H](C)NC(=O)C1(C)CCOCC1 678881764 RECZCBJEQUZDDP-GFCCVEGCSA-N 239.359 2.664 30 20 BFED C=CC[C@H](CC)NC(=O)[C@@H](C)c1ccco1 684938425 ABTYZYZKEQPJII-QWRGUYRKSA-N 221.300 2.854 30 20 BFED C[C@@H](NCc1cnsc1)c1ccc(C#N)cc1 687222137 DBCPAPHPFDZTDB-SNVBAGLBSA-N 243.335 2.866 30 20 BFED C#CCN(C(=O)c1csc(Cl)c1)C(C)C 688837893 PIIOFLAPYFNKGJ-UHFFFAOYSA-N 241.743 2.885 30 20 BFED Cc1ncccc1C=NNc1ccccc1F 728778387 DLCFWBOSEIBTKX-UHFFFAOYSA-N 229.258 2.975 30 20 BFED C=CCN(CCCCCn1cccn1)C(C)C 729473551 JVEOKFIOURPSRW-UHFFFAOYSA-N 235.375 2.950 30 20 BFED CC[C@@H]1CCCC(=NNc2ncccn2)C1 734978878 WKVKDQHUHBYITH-SNVBAGLBSA-N 218.304 2.845 30 20 BFED C=CCCNc1cc(C(=O)O)ccc1C 736102138 BOOPMRDMSHDQNQ-UHFFFAOYSA-N 205.257 2.681 30 20 BFED Cc1ccoc1C=NNc1ccc(C#N)cc1 743438178 RQYKYNVMPGBIPG-UHFFFAOYSA-N 225.251 2.906 30 20 BFED CCN(CCF)[C@@H](C)c1ccc(C#N)cc1 746503348 QMDSVHCAAJYJMO-NSHDSACASA-N 220.291 2.911 30 20 BFED CCc1ccc(O)c(C(=O)OCCCCC#N)c1 748922135 WHLZXOORCPCRLF-UHFFFAOYSA-N 247.294 2.805 30 20 BFED C[C@H]1CCC(=NN2CCOCC2)c2ccccc21 752718804 PJUCNGSPSAOCDY-LBPRGKRZSA-N 244.338 2.620 30 20 BFED CC[C@](C)(C#N)NC(=O)/C=C1\CC[C@@H](C)C1 753602160 LAPFSYZKJBZZKY-JPZMSJPLSA-N 220.316 2.541 30 20 BFED Cc1ccnc(NN=Cc2cc(C)n(C)c2C)c1 754951559 XWHNCMNZDQMHDD-UHFFFAOYSA-N 242.326 2.791 30 20 BFED CCCCNN=C(C)c1ccc(O)c(OC)c1 757459269 GPZGEKZXKKXBEQ-UHFFFAOYSA-N 236.315 2.515 30 20 BFED C#CC[C@H](NC(=O)C=C1CCC1)c1ccccc1 757600040 XPXLBSMSOLWXKS-HNNXBMFYSA-N 239.318 2.978 30 20 BFED Cc1cc(C=NOCC(F)F)cnc1Cl 758902667 GSGOYBJZNWYWOQ-UHFFFAOYSA-N 234.633 2.659 30 20 BFED C#CCOc1cccc(OC(=O)/C(C)=C\C)c1 770545548 SLBZYWDPEWSEKS-WZUFQYTHSA-N 230.263 2.570 30 20 BFED C=C(CC)COC(=O)c1ccc(OC)cc1O 773431619 YBLKVTAGFSOENV-UHFFFAOYSA-N 236.267 2.524 30 20 BFED C=C(CC)COC(=O)c1cnc2onc(C)c2c1 773477534 YDVFFSDDEPHDEC-UHFFFAOYSA-N 246.266 2.654 30 20 BFED Oc1c(F)cccc1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 774597370 PNXGPISPPKBWPC-OUJBWJOFSA-N 248.301 2.643 30 20 BFED CC(=NNc1cccnn1)c1cccc(F)c1F 776260087 WKWHSWDGVSHQNE-UHFFFAOYSA-N 248.236 2.591 30 20 BFED N#Cc1cc(Cl)ccc1COC(=O)C1CC1 780039160 XKZIQXPCZVONLR-UHFFFAOYSA-N 235.670 2.665 30 20 BFED Cn1ncc(Cl)c1C=NOCc1ccccc1 780210351 RXENOTKTHUNHBG-UHFFFAOYSA-N 249.701 2.624 30 20 BFED C/C(C=NN[C@@H]1CCCOC1)=C/c1ccccc1 780259665 CIMHNBPBSFSPBZ-KUFUOBLISA-N 244.338 2.844 30 20 BFED CC[C@@H](C#N)OC(=O)C[C@H](C)c1ccc(N)cc1 781209760 DCJSGMAFGTTYCC-GWCFXTLKSA-N 246.310 2.608 30 20 BFED C=C[C@@](C)(CCOC)C(=O)OCCC1CC1 782438311 GIMLCULCHRAYJU-ZDUSSCGKSA-N 226.316 2.559 30 20 BFED CC[C@@H]1CCC[C@H](C=NN2CCCNC2=O)C1 783861074 CRGZDBIYONCUSC-NEPJUHHUSA-N 237.347 2.604 30 20 BFED CSC1(C(=O)OCCCC(C)(C)C#N)CC1 784903863 IIZQPMSPPSIHJC-UHFFFAOYSA-N 241.356 2.755 30 20 BFED Fc1ccc(/C=C\C=NOC[C@H]2CCOC2)cc1 788036076 DIRCTKYGFHOKAE-VANCEVMXSA-N 249.285 2.878 30 20 BFED C#CCC1(OC(=O)c2cccc(C#N)c2)CCC1 788065176 AIFSPBIUYALRSJ-UHFFFAOYSA-N 239.274 2.661 30 20 BFED CCC(CC)CNN=C1CCC[C@@H](N(C)C)C1 788438341 AGKPEIBIEYEGLJ-CQSZACIVSA-N 239.407 2.872 30 20 BFED Cc1cccc(C=NNCCc2ccccn2)c1 789105336 OPSHIXVDZQRPDL-UHFFFAOYSA-N 239.322 2.556 30 20 BFED CC[C@@H](C)NN=Cc1cn(C)c2ccccc12 790183093 NZKHQSFIXSEBET-LLVKDONJSA-N 229.327 2.900 30 20 BFED C#C[C@@H](CCC)NC(=O)N(CC)Cc1ccoc1 791066005 YNBGIILMEFXDOI-ZDUSSCGKSA-N 248.326 2.613 30 20 BFED CCC(=NNCCC(F)(F)F)C1CC1 794547816 LXNSAHSBKAJAJG-UHFFFAOYSA-N 208.227 2.704 30 20 BFED C=CCNN=Cc1cnc(-c2ccco2)s1 794999542 JNDRKYBMOTYYPC-UHFFFAOYSA-N 233.296 2.513 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(C)oc1C 797878526 YVZIAVJBPYPOHW-HIFRSBDPSA-N 249.354 2.967 30 20 BFED CCOCCON=C(C)c1coc(C(C)C)n1 799484275 AKYIURKYPJKNFQ-UHFFFAOYSA-N 240.303 2.575 30 20 BFED C[C@H]1CC(C)(C)CC[C@@H]1NCCO[C@H](C)C#N 801943535 YFUTWNWKTKMKCP-XQQFMLRXSA-N 238.375 2.719 30 20 BFED COc1ccc(O)c(C=NOC/C=C\Cl)c1 811670239 NJPXSCLPQVVHMM-WVDZYLRBSA-N 241.674 2.504 30 20 BFED C=CCN(CCC#N)C(=O)c1ccc(CC)s1 814136469 CVLIWEXLWVYUNU-UHFFFAOYSA-N 248.351 2.852 30 20 BFED Cc1cc([N+](=O)[O-])ccc1N(C)CC(C)(C)C#N 814372305 FGWSNLXVAKDIQP-UHFFFAOYSA-N 247.298 2.889 30 20 BFED c1cc2c(o1)CCCC2=NO[C@H]1CCCCO1 814887922 SWUWOGOUTSKIFX-ZDUSSCGKSA-N 235.283 2.863 30 20 BFED CC[C@H](C)CON=C(C)C1CCN(C)CC1 814939408 PUQFZGUDCAETJY-NSHDSACASA-N 226.364 2.767 30 20 BFED Cc1cccc(C=NOCC2CC2)c1F 834982227 SEXYJVPIPFLAOK-UHFFFAOYSA-N 207.248 2.895 30 20 BFED C=CCON=C1CCc2c(OC)cccc21 835013488 UDGSESPINZYTGO-UHFFFAOYSA-N 217.268 2.548 30 20 BFED CC[C@H](C#N)OC(=O)[C@H]1CCCCC1(F)F 835211690 MFQRWARXIGEYFG-RKDXNWHRSA-N 231.242 2.657 30 20 BFED C=CC(C)(C)C(=O)OCC1(OC)CCCC1 835353774 OEICLYNURWYDFN-UHFFFAOYSA-N 226.316 2.701 30 20 BFED C=CC(C)(C)COC(=O)[C@H](C)[C@@H](C)COC 835722113 NSSXFAWAETVSDT-WDEREUQCSA-N 228.332 2.660 30 20 BFED C=CCC1(C(=O)O[C@@H]2CCOC[C@@H]2C)CCC1 835769377 DGZLHILTGCEVLH-NWDGAFQWSA-N 238.327 2.701 30 20 BFED C#CC(=O)Nc1ccc(CSCC)cc1 836989842 UKFIYZGZSRESJI-UHFFFAOYSA-N 219.309 2.511 30 20 BFED CC(C)(C)C#CC(=O)Nc1cnn(C(C)(C)C)c1 837374271 ZYEREUDLXJMICJ-UHFFFAOYSA-N 247.342 2.626 30 20 BFED CC[C@H](C)OC(=O)[C@]1(C#N)CC12CCCC2 837906816 RWOPURSXDXRQLZ-GXFFZTMASA-N 221.300 2.802 30 20 BFED C#CCC[C@@H](C)OC(=O)/C=C/c1cncc(C)c1 839038689 YXPDPJLSTDPZOA-SBDDDAINSA-N 243.306 2.748 30 20 BFED N#C[C@@H]1CCC[C@@H](OC(=O)CCC2CC2)C1 839055166 XPYZKJZQNCVLSG-VXGBXAGGSA-N 221.300 2.802 30 20 BFED C=C[C@H](C)ON=C(C)c1cc(F)cc(F)c1O 844622005 RUKSBVZJPFNRKM-ZETCQYMHSA-N 241.237 2.986 30 20 BFED C#C[C@@H](CC)NC(=O)N[C@@H]1C[C@H]1CC(C)(C)C 845388988 QTJAGBYUVCEATJ-SDDRHHMPSA-N 236.359 2.522 30 20 BFED C=CCC(C)(C)C(=O)O[C@@H](C)CN1CCCC1 845663738 UOAFUSLHXBIDCR-LBPRGKRZSA-N 239.359 2.616 30 20 BFED CC[C@@H](CC#N)NCC[C@H]1CC1(Cl)Cl 846981382 LKJRNTPCBBTGRB-IUCAKERBSA-N 235.158 2.852 30 20 BFED Cc1cc(NC(=O)C=C2CCCC2)ncc1C#N 847135980 OLVPWGVZOAZGJZ-UHFFFAOYSA-N 241.294 2.701 30 20 BFED C/C(=C\c1ccco1)C(=O)OCCCC#N 847672616 WVDYHCJMCHSNRE-MDZDMXLPSA-N 219.240 2.530 30 20 BFED CS[C@H](C)CC(=O)O[C@H](C)CC(C)(C)C#N 851207929 KAABLPYTBNLUNT-NXEZZACHSA-N 243.372 3.000 30 20 BFED CC(=NOCC1CCC1)[C@H]1C[C@H]2CC[C@H]1O2 853441507 ZJGZAVNOZFSJNI-JHJVBQTASA-N 223.316 2.747 30 20 BFED C#Cc1cccnc1NCC[C@H]1CCO[C@@H](C)C1 853476840 UOEXWVFSZCDJMQ-STQMWFEESA-N 244.338 2.680 30 20 BFED C=CCCCCCOC(=O)Cc1cscn1 853941887 LZEBEHHZIRJMIY-UHFFFAOYSA-N 239.340 2.975 30 20 BFED CC[C@H](NC(=O)c1ccc(C)c(C#N)c1)C1CC1 855857394 LELMWWWRSKKUAB-AWEZNQCLSA-N 242.322 2.785 30 20 BFED C#CCCOC(=O)N1c2ccccc2C[C@H]1C 858871580 JPEXNBMPDXYONE-LLVKDONJSA-N 229.279 2.598 30 20 BFED CCN(C(=O)OCC1CCCCC1)[C@@H](C)C#N 859228983 VTNXNALJDXQACZ-NSHDSACASA-N 238.331 2.937 30 20 BFED C=C(C)[C@H](C)OC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 860654353 RIMXWBCIMBIJMZ-HTFCKZLJSA-N 226.316 2.554 30 20 BFED CCCON=Cc1cc(F)c(N(C)C)cc1F 863123758 KSLCDBPZJRTURC-UHFFFAOYSA-N 242.269 2.791 30 20 BFED C=CCC(C)(C)c1noc(/C=C\COC)n1 867020687 LWCPFLJGTZNIGC-SREVYHEPSA-N 222.288 2.583 30 20 BFED Cc1ccc(C=NOC[C@H]2CCO[C@@H]2C)cc1 871722349 BGYOGRXOHAAZGO-TZMCWYRMSA-N 233.311 2.771 30 20 BFED Fc1cc(OC(F)F)ccc1C=NNC1CC1 872365564 XKCCNRWZBSZCMR-UHFFFAOYSA-N 244.216 2.513 30 20 BFED C=CC(C)(C)CC(=O)N(C)C1CC(OCC)C1 880002927 UJZSOYAWFSGAAB-UHFFFAOYSA-N 239.359 2.615 30 20 BFED Fc1cccc(/C=C\C=NN[C@@H]2CCCOC2)c1 884452515 RJHIOEORFPADJB-CWJOIWACSA-N 248.301 2.593 30 20 BFED Cl/C=C\CON=C1CCc2cccnc21 884470443 ONQKRPGMAQGIGE-CUIFBSGOSA-N 222.675 2.501 30 20 BFED C=CC(C)(C)CC(=O)Nc1cccc(C(=O)O)c1 887327098 WVIXTOCSZRVDBR-UHFFFAOYSA-N 247.294 2.926 30 20 BFED CC(C)CCCNC(=O)Nc1ccc(C#N)cn1 889220511 AKOMLGCTHKDGBP-UHFFFAOYSA-N 246.314 2.511 30 20 BFED C=C1CCC(C(=O)NC(C)(C)COCC)CC1 891177142 XJKHDYOCQFIZDB-UHFFFAOYSA-N 239.359 2.664 30 20 BFED CC[C@@H]1CCCN(c2ccc(C#N)cc2CO)C1 891783892 OCNCUYMCMCHWEC-GFCCVEGCSA-N 244.338 2.677 30 20 BFED C=CC1(OC(=O)c2csc(C3CC3)n2)CC1 893365236 JFGLXQOKNWPSTB-UHFFFAOYSA-N 235.308 2.896 30 20 BFED C[C@H]1CC[C@@H](CNc2ccc(C#N)cc2CO)C1 893623525 HOWQUBQKMBBSFF-WCQYABFASA-N 244.338 2.899 30 20 BFED CCc1cc(NCC2(CC#N)CC2)nc(CC)n1 893649418 SXLIKDPGWPEMLF-UHFFFAOYSA-N 244.342 2.707 30 20 BFED C#Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C)cc1 896635382 SFZGFTTWOXSULP-QWHCGFSZSA-N 241.334 2.929 30 20 BFED C#Cc1ccc(C(=O)N(CC)CCC2CC2)cc1 897395011 DEJPBVZDWSMNTN-UHFFFAOYSA-N 241.334 2.930 30 20 BFED Cc1cc(C)c(C#N)c(NC/C=C/Cl)n1 897507526 DCCZQIVTWZVOEX-ONEGZZNKSA-N 221.691 2.735 30 20 BFED C#Cc1ccc(N[C@@H](C)[C@H]2CCOC2)cc1 898498086 GIIXSQVSWIKHSN-AAEUAGOBSA-N 215.296 2.505 30 20 BFED CC[C@@H](C)NN=Cc1c(C)nn(C(C)C)c1C 901233375 JTUJGYNSDTWYMO-SNVBAGLBSA-N 236.363 2.803 30 20 BFED CC1(C)CCCCC1=NN[C@@H]1CCCC[C@H]1O 901339487 UNQHAHBFKULWNS-VXGBXAGGSA-N 238.375 2.836 30 20 BFED C=CCC[C@H](N[C@H](CCC)C1CCC1)C(=O)O 901691253 UPJJPKUDOOMPIX-OLZOCXBDSA-N 239.359 2.964 30 20 BFED C=CCCC[C@H](N)c1nc([C@H](C)C2CC2)no1 904633000 FXTMYNCKAKGXQW-KOLCDFICSA-N 235.331 2.939 30 20 BFED C=CCC1(C(=O)N=[S@@](C)(=O)C(C)C)CCC1 906193295 ABPCJOBJDPEARS-INIZCTEOSA-N 243.372 2.766 30 20 BFED CCC(CC)CNC(=O)c1ccsc1C#N 906578505 CNGJBMZPGGZXSM-UHFFFAOYSA-N 236.340 2.786 30 20 BFED C=C[C@@H](CC)CC(=O)OCc1ccncc1 909525981 UDMVTNHVQGMSCA-NSHDSACASA-N 219.284 2.727 30 20 BFED CC/C=C(\C)C(=O)NCCC#C[Si](C)(C)C 912333856 VBYSAOOBWLGHCG-FMIVXFBMSA-N 237.419 2.730 30 20 BFED CCC(C)=NNCc1cc(F)ccc1F 915979216 QWWSWYNVXZMNQL-UHFFFAOYSA-N 212.243 2.840 30 20 BFED CC(C)Cc1ccc(C(=O)O[C@@H](C)C#N)cc1 916530898 NVOUHCBMFUTAKZ-NSHDSACASA-N 231.295 2.954 30 20 BFED CCCOc1ccc2c(c1)C(=NOC)CCO2 920372299 YULNOZISYXECQG-UHFFFAOYSA-N 235.283 2.608 30 20 BFED CCSc1ccccc1CC(=O)O[C@H](C)C#N 923078094 CRDNZYVOTLTBGY-SNVBAGLBSA-N 249.335 2.796 30 20 BFED C=C[C@H](CC)CC(=O)NC1C[C@H](C)O[C@@H](C)C1 935185785 SANZAQMABIBVPB-SDDRHHMPSA-N 239.359 2.661 30 20 BFED C=CC[C@@H](CC)NC(=O)c1csc(C#N)c1 1117760861 MXFHCCVVIDTNHA-SNVBAGLBSA-N 234.324 2.704 30 20 BFED CCc1nc(C#N)cc(N2CC[C@@H](CC)[C@H]2C)n1 1307101828 MEZDMIKQDGZISZ-GHMZBOCLSA-N 244.342 2.535 30 20 BFED C=CCC1(CNCc2cc(C)[nH]n2)CCCC1 1326451189 JCGPNXUDIFWFJZ-UHFFFAOYSA-N 233.359 2.944 30 20 BFED CC1=C(C)CN(c2cccc(CC#N)n2)CC1 1326886890 VYZFAMGQECOSTK-UHFFFAOYSA-N 227.311 2.694 30 20 BFED Cc1ccc(NC(=N)NCC2(C#N)CCC2)cc1 1327773117 UXFVXZBGLJKTHS-UHFFFAOYSA-N 242.326 2.625 30 20 BFED C#CCCOC(=O)N[C@H](C)c1cc(C)oc1C 1328741886 ZAQSOXGGNHTUEZ-SNVBAGLBSA-N 235.283 2.707 30 20 BFED CCCCN(CC)C(=O)c1ccc(C#N)cc1F 1336427242 VMUSTHKEEUGKLQ-UHFFFAOYSA-N 248.301 2.960 30 20 BFED C#CCC[C@H](C)OC(=O)/C=C\c1nccs1 1343391053 GDVDIXTZMFICMT-GFVADAIESA-N 235.308 2.501 30 20 BFED CCn1ccnc1[C@@H](C#N)C(=O)C1CC(C)(C)C1 1345645883 AYRSMFPZKXAVQO-NSHDSACASA-N 245.326 2.515 30 20 BFED C=CC(C)(C)c1nnc(Cc2ccncc2)o1 1346673952 FJCUVEHGAFCOAB-UHFFFAOYSA-N 229.283 2.519 30 20 BFED CC(C)C#CC(=O)N1CCC[C@H]1C(C)(C)C 1347400651 JYBRIHMFUGFNGG-LBPRGKRZSA-N 221.344 2.683 30 20 BFED C=C(C)CCC(=O)N1CCCC[C@H](COC)C1 1354884563 GPLTVXAQNIBQES-ZDUSSCGKSA-N 239.359 2.618 30 20 BFED CN(Cc1cc(C#N)ccn1)c1ccsc1 1460329084 XNRALOJBTFAVBQ-UHFFFAOYSA-N 229.308 2.651 30 20 BFED C[C@H](c1cccc(C#N)c1)N(C)c1cnccn1 1559218804 RDTHOANINNKPEB-LLVKDONJSA-N 238.294 2.546 30 20 BFED C=C(Cl)CNC1(CC(=O)O)CCCCC1 1588643868 UYFXVERXWPNIBG-UHFFFAOYSA-N 231.723 2.506 30 20 BFED C=CCCCCCN[C@@H]1CCC[C@H]1C(=O)O 1588799685 AGUZGIRHSKARQB-VXGBXAGGSA-N 225.332 2.576 30 20 BFED N#C[C@H]1CC[C@H](Sc2ncccc2C(=O)O)C1 1601059786 NFQMWGQHNUWPQL-IUCAKERBSA-N 248.307 2.564 30 20 BFED C=CC[C@@]1(C(=O)O)CCN(CC2CC3(CC3)C2)C1 1776158439 QKQFJZGIRKFCCT-OAHLLOKOSA-N 249.354 2.529 30 20 BFED C=CCCN1CCC[C@@]2(C(=O)O)CCCC[C@H]12 1776175014 LCVLMDCCRDAYFM-JSGCOSHPSA-N 237.343 2.672 30 20 BFED C=CCNC(=S)Nc1ccc(C)c(F)c1 7571897 DXFMIBYZAVZCNI-UHFFFAOYSA-N 224.304 2.607 30 20 BFED N#CCSc1n[nH]c(/C=C/c2ccccc2)n1 12834484 UURHEHJQVKEKOF-VOTSOKGWSA-N 242.307 2.591 30 20 BFED C[C@H](Nc1ccc(C#N)cn1)c1ccccn1 35126459 LNBMRQONAUFIQU-JTQLQIEISA-N 224.267 2.521 30 20 BFED CCCN(C)c1c(C#N)cnc2ccccc12 36913315 ADGBMKGANATPHD-UHFFFAOYSA-N 225.295 2.953 30 20 BFED N#Cc1ccc(CNCc2cccc(O)c2)cc1 37505875 KRAXMBQBJAXABE-UHFFFAOYSA-N 238.290 2.554 30 20 BFED N#CC1(NC(=O)c2cccs2)CCCCC1 40215340 KGINPVRIEWMJOY-UHFFFAOYSA-N 234.324 2.704 30 20 BFED Cc1cc(C)c(C#N)c(N2CCCC[C@H]2C)n1 40418589 RCHWROGFAQPZCH-GFCCVEGCSA-N 229.327 2.949 30 20 BFED N#Cc1ccc(Cl)cc1OC[C@H]1CCOC1 62790248 VEALNSZSDPUAOR-VIFPVBQESA-N 237.686 2.627 30 20 BFED C[C@H](C#N)Sc1ncccc1Br 70614888 DHDLGZKRFKNLJZ-ZCFIWIBFSA-N 243.129 2.848 30 20 BFED CC(C)(C#N)CC[S@@](=O)C1CCCC1 83643524 UCGPIYGZELXLLM-AWEZNQCLSA-N 213.346 2.618 30 20 BFED C[C@@H]1CCC[C@@H]1NCc1cc(C#N)cs1 86500289 IJOBMURRVQWFDV-SKDRFNHKSA-N 220.341 2.898 30 20 BFED CCN(Cc1ccc(Cl)o1)C[C@H](C)C#N 91982225 NSLLMHUDHUEZLO-SECBINFHSA-N 226.707 2.915 30 20 BFED Cc1ccc(N/C(N)=N/Cc2ccco2)cc1 104151938 ROKOETHKUPBKRT-UHFFFAOYSA-N 229.283 2.515 30 20 BFED C#Cc1cccc(NC(=O)CCC2CC2)c1 115014682 RADIHUQSZVDHDE-UHFFFAOYSA-N 213.280 2.797 30 20 BFED Cc1ccc(C#N)cc1NC(=O)[C@@H](C)C1CC1 122235921 LMGCADLMKOPZSF-JTQLQIEISA-N 228.295 2.851 30 20 BFED CN(CCC#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 122608755 UZOUSWBFZBMMLS-BFHYXJOUSA-N 248.370 2.965 30 20 BFED Cc1ccc(OCc2cc(C#N)ccc2F)nc1 123575788 FGUQHTHJYICVQB-UHFFFAOYSA-N 242.253 2.980 30 20 BFED CC#CCCNc1cc(C)nc(C(C)C)n1 125898487 OVVJXOARWUTLRI-UHFFFAOYSA-N 217.316 2.734 30 20 BFED CC(C)(C)CNCc1ccc(C#N)s1 135497605 GUFMNQGHOSKLGA-UHFFFAOYSA-N 208.330 2.755 30 20 BFED O=C(c1ccccc1)c1ccccc1/C(O)=N/O 141337614 ZRYVCYVRQJTFHF-UHFFFAOYSA-N 241.246 2.611 30 20 BFED CC#CCN1CCC[C@@H]1c1cccs1 157404802 RMIOBCSMJOYKFA-LLVKDONJSA-N 205.326 2.908 30 20 BFED CC#CCCN(Cc1ccccc1)[C@H](C)CCO 157590072 BKBRSBHEMRGYOA-OAHLLOKOSA-N 245.366 2.673 30 20 BFED C#CCCCNc1ccc(F)cc1OC 161056245 LHBQVMIWRZQBRD-UHFFFAOYSA-N 207.248 2.660 30 20 BFED C=CCN(C)C(=O)CSCc1cccc(C)c1 161897118 VZFPIIQUHFIZSU-UHFFFAOYSA-N 249.379 2.873 30 20 BFED C=C(C)COCCNc1nc(Cl)cs1 168791496 PKYBZNGOFSVRSA-UHFFFAOYSA-N 232.736 2.801 30 20 BFED C[C@@H](C1CC1)N(CCCCC#N)C1CC1 171031734 LCCVUPWANYLMSW-NSHDSACASA-N 206.333 2.943 30 20 BFED C[Si](C)(C)CSc1cc(C#N)ccn1 171792954 DXUPNIMXQRNQRI-UHFFFAOYSA-N 222.389 2.923 30 20 BFED Cc1nc(C(=O)N(C(C)C)C(C)C)ccc1C#N 171865763 XTRFWQHMDHGBLQ-UHFFFAOYSA-N 245.326 2.521 30 20 BFED C=CCC[C@@H](NCc1ccnc(OC)c1)C1CC1 178674311 XGNWGKROHLICLT-CQSZACIVSA-N 246.354 2.925 30 20 BFED C=CCN[C@@H](C)c1cc(OC)c(OC)cc1C 179624935 BORAZZZLNZACMJ-NSHDSACASA-N 235.327 2.849 30 20 BFED C#CCCCC(=O)Nc1ccc(OC)cc1C 192104847 UBFORGSHRIWHJD-UHFFFAOYSA-N 231.295 2.746 30 20 BFED CC[C@@H](C)CC(=O)Oc1ccc(C#N)c(OC)c1 195169532 HNPCLOOZNXJQOW-SNVBAGLBSA-N 247.294 2.908 30 20 BFED C#C[C@@H](CC)NCc1ccc(C)c(F)c1 229896465 QDOAZPDYDDLSJC-LBPRGKRZSA-N 205.276 2.636 30 20 BFED CC1(CNc2cc(C#N)ccc2[N+](=O)[O-])CC1 231778994 VFJYOZSQUQZLAA-UHFFFAOYSA-N 231.255 2.678 30 20 BFED COCCCSCc1cccc(C#N)c1F 232042072 RFRCVGKASXMFBD-UHFFFAOYSA-N 239.315 2.967 30 20 BFED C#C[C@H](CCC)NC(=O)CCCc1cccs1 233357199 YTOVDIFASNFNBR-GFCCVEGCSA-N 249.379 2.989 30 20 BFED C#C[C@@H](CC)NC(=O)C[C@H](C)CC(C)(C)C 233886774 FZQQXTQPIWJOIH-RYUDHWBXSA-N 223.360 2.977 30 20 BFED CCc1nn(C)cc1/C=C\C(=O)c1occc1C 255871726 IGIMJBLTOKKCTJ-WAYWQWQTSA-N 244.294 2.780 30 20 BFED CN(Cc1ccc(F)cc1)CC(C)(C)C#N 258913978 MPUHHOUYVGEHDA-UHFFFAOYSA-N 220.291 2.807 30 20 BFED CCCN(C)C(=O)CSc1ccc(C#N)cc1 264000714 KRSVVHKZHOTKHL-UHFFFAOYSA-N 248.351 2.519 30 20 BFED CC[C@]1(C)CCCN(c2ccc(C#N)cn2)C1 266219299 PYPSQQVATYKJAE-CQSZACIVSA-N 229.327 2.970 30 20 BFED CCCCN(C(=O)C#Cc1ccccc1)C1CC1 267011722 NJWUYZYGKNFAEV-UHFFFAOYSA-N 241.334 2.829 30 20 BFED N#Cc1cccc(C2(NCc3cccnc3)CC2)c1 269607003 KLMGDLCDPXJPOY-UHFFFAOYSA-N 249.317 2.732 30 20 BFED COc1ccc([C@@H](C)CN(C)C[C@@H](C)C#N)cc1 271737570 PKSBIWACBIAPIB-STQMWFEESA-N 246.354 2.890 30 20 BFED Cc1cc(C)cc(/C=C/C(=O)NCCCC#N)c1 273032087 MYEXNIWOGMRYSI-AATRIKPKSA-N 242.322 2.737 30 20 BFED CCN(CC#N)Cc1nc(Cl)ccc1Cl 274353793 XSMXQQANEFYSOM-UHFFFAOYSA-N 244.125 2.734 30 20 BFED C=CCC[C@@H](NC[C@H](C)CCO)c1ccco1 279102919 VLIBYRHXFNTZFV-CHWSQXEVSA-N 237.343 2.895 30 20 BFED C=CCCCN1CCCC[C@H]1c1cc[nH]n1 285500310 XMECFCFKCQJNRM-ZDUSSCGKSA-N 219.332 2.903 30 20 BFED C=CC[C@H](C)NC(=O)c1cc[nH]c1C(C)C 285630368 YQDLLVWOMKXYCF-JTQLQIEISA-N 220.316 2.833 30 20 BFED CC(C)SCCNc1ccc(C#N)nc1 286532092 VAQGMAUTXLTBBM-UHFFFAOYSA-N 221.329 2.507 30 20 BFED C=C[C@H](CO)N[C@H](C)c1cc2ccccc2o1 289673119 HILJNLDDZNEARO-ZYHUDNBSSA-N 231.295 2.630 30 20 BFED Cc1nc(N(C)C[C@@H](C)C#N)c(Cl)cc1C#N 290931566 JDKQNPUPPOSYSR-QMMMGPOBSA-N 248.717 2.511 30 20 BFED C=CCC(C)(C)C(=O)N1CCC=C(C)C1 293533534 FDYJJFQOLGYLHF-UHFFFAOYSA-N 207.317 2.767 30 20 BFED C=CC(C)(C)c1nc(-c2ccnc(OC)c2)no1 295865484 JNEDKHYDYACAQS-UHFFFAOYSA-N 245.282 2.604 30 20 BFED C[C@@H](C#N)N(C)C(=O)CC(C)(C)c1ccccc1 297787352 NXJNALGUQZPNCJ-LBPRGKRZSA-N 244.338 2.725 30 20 BFED C#C[C@H](NC(=O)Nc1ccccc1F)C(C)C 304193982 WJJUBWODZQRLFQ-NSHDSACASA-N 234.274 2.605 30 20 BFED CC(C)[C@H](O)COc1ccc(C#N)cc1Cl 304227102 ZWYQAWSQRJZFDX-LLVKDONJSA-N 239.702 2.607 30 20 BFED C=CCNc1nc(-c2cscn2)cs1 306295662 KLFPEZJIBJAIHU-UHFFFAOYSA-N 223.326 2.865 30 20 BFED Cc1cc(NC(C2CC2)C2CC2)cc(C#N)n1 308280768 SDHWTUKWZFBRJQ-UHFFFAOYSA-N 227.311 2.862 30 20 BFED C=C(C)CNC(=O)c1cc(F)ccc1Cl 308874842 CSWAQNZVESZANJ-UHFFFAOYSA-N 227.666 2.785 30 20 BFED CCCCN(CC)c1ccc(C#N)c(C)n1 309196238 KBLCQYPFOILFEB-UHFFFAOYSA-N 217.316 2.888 30 20 BFED C=CCC[C@H](NC1CCCCCC1)C(=O)O 316508185 XRXHYVGNASDKCD-LBPRGKRZSA-N 225.332 2.718 30 20 BFED C=CCC[C@@H](CO)NC(CCC)CCC 320519307 OCYONADLBLNJMI-ZDUSSCGKSA-N 213.365 2.872 30 20 BFED CC(C)(CC(=O)N[C@H]1CCC[C@H]1C#N)C1CC1 331640191 JHMPOXGWCIEKHF-JQWIXIFHSA-N 234.343 2.621 30 20 BFED CN(CC#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 335996924 CNFPZFNNXDLTIT-ZIAGYGMSSA-N 248.301 2.501 30 20 BFED Cc1oc(C#N)cc1C(=O)N(C)[C@H](C)C(C)(C)C 336153727 ZRDXAMJKWYWALY-SNVBAGLBSA-N 248.326 2.966 30 20 BFED C=CCC(C)(C)CN[C@H]1CCO[C@@H](C)C1 336659117 PPUMEDLZFWOVLC-RYUDHWBXSA-N 211.349 2.746 30 20 BFED C=CC[C@@H](CC)NC(=O)CC[C@H](C)SC 337090049 JEZJSKURTZHPKS-WDEREUQCSA-N 229.389 2.989 30 20 BFED C=C[C@@H](C)NC(=O)c1occc1C(C)C 339908534 YFBJXVVBOWSQOF-SECBINFHSA-N 207.273 2.707 30 20 BFED CC[C@H]1CCCN1c1ccc(C#N)cc1[N+](=O)[O-] 340697243 LZGFZFRYLMRNOL-NSHDSACASA-N 245.282 2.845 30 20 BFED C[C@H](CCC(=O)NCCCC#N)c1ccccc1 342668381 WDMQKULXFUQVCE-CYBMUJFWSA-N 244.338 2.990 30 20 BFED C=CCN(C)C(=O)[C@@H]1CC[C@@H](c2ccccc2)O1 343870769 DIUNMDILHCMVEC-KBPBESRZSA-N 245.322 2.551 30 20 BFED C=C[C@H](C)NC(=O)Nc1nc(CCC)cs1 345595064 NDZPXHRUYYSCPZ-QMMMGPOBSA-N 239.344 2.792 30 20 BFED C=C(C)CN(CC)C(=O)c1c[nH]c2cccnc12 346205583 WHQFDCRBTRAUCU-UHFFFAOYSA-N 243.310 2.601 30 20 BFED N#CCN(C[C@@H]1C[C@H]1c1ccccc1)C1CC1 352741532 HGQXNSMTLPKNKB-ZFWWWQNUSA-N 226.323 2.778 30 20 BFED C[C@H](NCCCC#N)c1ccc2n[nH]cc2c1 353286584 LTKVFUICIDDPEN-JTQLQIEISA-N 228.299 2.517 30 20 BFED CCCC1(CNC(=O)CC(C)(C)C#N)CC1 354805354 YLBAOMBVNMLTGH-UHFFFAOYSA-N 222.332 2.623 30 20 BFED C[C@H](F)CCNC(=O)[C@H](C)c1cccc(C#N)c1 356691763 RGZWOKTYKMLUJS-WDEREUQCSA-N 248.301 2.526 30 20 BFED C=C(CC)CSc1nnc2cc(C)nc(C)n12 358569436 LUFZLDVVSIBSSQ-UHFFFAOYSA-N 248.355 2.799 30 20 BFED C=C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C 362629794 CDUGMTGUDKENIG-VIFPVBQESA-N 249.270 2.599 30 20 BFED C=C(Cl)CN[C@@H](COC)C1CCCC1 379532206 JLAYKPWMJWPXAR-NSHDSACASA-N 217.740 2.534 30 20 BFED C#C[C@H](NCc1ncc(Cl)s1)C(C)(C)C 389955110 UBFHEYDKGHREGP-QMMMGPOBSA-N 242.775 2.934 30 20 BFED Cc1ccnc(N(C)C2CC(C)(C)C2)c1C#N 395477961 QLQBDKMMAURVOR-UHFFFAOYSA-N 229.327 2.887 30 20 BFED CC(C)(C#N)CCCN1CCC[C@H](CC#N)C1 397776037 IJFKGONWUAOLFE-CYBMUJFWSA-N 233.359 2.942 30 20 BFED Cc1ccc(C#N)cc1NCC[C@H]1CCOC1 400602950 UBFAZSNPXGXFIC-LBPRGKRZSA-N 230.311 2.705 30 20 BFED C=CCN(CCOC)[C@H]1C[C@H]1c1cccc(F)c1 411625157 KPPWNCKPUMSOJH-GJZGRUSLSA-N 249.329 2.816 30 20 BFED C=CC(C)(C)C(=O)NCC(C)(C)OCC1CC1 412633841 YRUWZAFXFYTWQP-UHFFFAOYSA-N 239.359 2.520 30 20 BFED C=CCC[C@H](C)NC[C@H]1NCCc2ccccc21 414961305 VBONDRVTBXNYOR-XJKSGUPXSA-N 244.382 2.818 30 20 BFED CC(C)n1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cn1 424328743 OIPKKPXXJPEIMI-SGMGOOAPSA-N 246.358 2.807 30 20 BFED C[C@@H](CCC1CC1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 425498157 FIJWSODBALVGJP-WCFLWFBJSA-N 249.358 2.557 30 20 BFED C=C(C)CN(C)Cc1oc(CC)nc1C 428320156 RTGDXGFRNOIYHT-UHFFFAOYSA-N 208.305 2.553 30 20 BFED C=C(C)[C@H](CC(=O)NCC(C)(C)CC)OCC 429045866 LAWQPARYGCVEPX-LBPRGKRZSA-N 241.375 2.910 30 20 BFED C=CCOc1cccc(CN[C@@H](CC)[C@H](C)O)c1 449539086 HTRJVVRNLNENPR-WFASDCNBSA-N 249.354 2.500 30 20 BFED C=CCN(CC[C@H](C)O)CC1CCCCC1 450411053 WPGZZENERXMMDR-ZDUSSCGKSA-N 225.376 2.826 30 20 BFED CC#CCN(C)C(=O)[C@@H]1CCC[C@H]1CCC 452172128 UVZOVOAPVSUEFH-CHWSQXEVSA-N 221.344 2.685 30 20 BFED C=C(C)CCNC(=O)Nc1cccc(COC)c1 454415056 QZZACBUUVDLMAH-UHFFFAOYSA-N 248.326 2.921 30 20 BFED CC(C)(CC#N)CNCc1ccc(Cl)o1 459684912 DZWBAIVLHOMBHN-UHFFFAOYSA-N 226.707 2.962 30 20 BFED CC#CCNC(=O)[C@@H](CC)C1CCC(C)CC1 461080112 ADYVANLJXCUPOH-RUXDESIVSA-N 235.371 2.978 30 20 BFED CC#CCCCC(=O)N[C@H]1CCC[C@H]1CC 466438344 LLTXAMMMUDNDQQ-OLZOCXBDSA-N 221.344 2.875 30 20 BFED C#C[C@H](C)N(C)Cc1coc(-c2ccccc2)n1 491439996 MPFQKJJEKSQMAE-LBPRGKRZSA-N 240.306 2.795 30 20 BFED C#C[C@H](C)N(C)C(=O)NC(C1CCC1)C1CCC1 491473143 BDYRJLUJISGQEN-NSHDSACASA-N 248.370 2.618 30 20 BFED C#C[C@@H](NC(=O)C(C)(C)CSC)C(C)(C)C 491483501 CABOKYARYSAPQN-SNVBAGLBSA-N 241.400 2.540 30 20 BFED Cc1ccc(NC(=O)C2(C#N)CC(C)C2)c(O)c1 531816792 LEPQBGKZMFRXKB-UHFFFAOYSA-N 244.294 2.579 30 20 BFED C=CCCC(=O)N[C@@](C)(C#N)C1CCCCC1 555905302 UTPQBFGGTUDDLI-AWEZNQCLSA-N 234.343 2.931 30 20 BFED C[C@H](CO)CS[C@@H](C#N)c1ccccc1 563441457 XFGBWRFQGFMDFX-PWSUYJOCSA-N 221.325 2.613 30 20 BFED C=CCCC1(C(=O)NCC(C)(F)F)CC1 566611506 IMACPRCFKPBNBF-UHFFFAOYSA-N 217.259 2.504 30 20 BFED C[C@@H]1C[C@]1(C#N)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 576225716 NWKDXWKXSFPNMZ-FTQJZPFOSA-N 246.354 2.621 30 20 BFED CC(C)(C)[S@@](=O)/N=C/c1cnccc1Cl 585163660 LLZCXZLEXBBKKG-MYWXAZLQSA-N 244.747 2.616 30 20 BFED N#CCC(=O)N[C@H](C1CCCCC1)C1CCC1 592881289 LYKAESXWWIQRBW-CQSZACIVSA-N 234.343 2.765 30 20 BFED C[C@@H](CCc1ccccc1)N1CC(C)(C#N)C1 593982433 LJZRCAYGUGLSTO-ZDUSSCGKSA-N 228.339 2.853 30 20 BFED C[C@@H]1CCN([C@H](C#N)c2ccccc2)C1 595302585 VXNBRPFJOMOVHS-DGCLKSJQSA-N 200.285 2.593 30 20 BFED CCN(CCOc1cccc(C)c1)[C@H](C)C#N 595813009 QXDIGTLPFAOODD-CYBMUJFWSA-N 232.327 2.608 30 20 BFED Cc1coc(C)c1C(=O)N1CCC[C@H](CC#N)C1 597903365 INKQVYWGOHBLPA-GFCCVEGCSA-N 246.310 2.662 30 20 BFED CC[C@H](C)CCC(=O)N(CC)[C@@H](C)C#N 598362635 GRTGEPSBWHVQTO-QWRGUYRKSA-N 210.321 2.573 30 20 BFED C[C@H](Sc1ccc(C#N)cn1)C1CCOCC1 600516992 RNICBKSNWOUODB-JTQLQIEISA-N 248.351 2.860 30 20 BFED C=C1CCN([C@H](C)c2ccncc2)CC1 600646696 QSBGLNVOZIEMFX-GFCCVEGCSA-N 202.301 2.795 30 20 BFED CC(C)C[C@@H]1CCN(Cc2cccc(C#N)n2)C1 602467971 MJAANKZKGZFYGR-ZDUSSCGKSA-N 243.354 2.821 30 20 BFED C[C@H](CC#N)NCc1ccc(Cl)cc1C#N 602868536 CIIMFBURDPUHAO-SECBINFHSA-N 233.702 2.603 30 20 BFED C[C@@H](C#N)CNC(=O)c1sccc1C1CC1 609523993 FBJOWBKSJFIQEU-QMMMGPOBSA-N 234.324 2.515 30 20 BFED Cc1ncccc1CN1CCC[C@](C)(C#N)C1 612406754 SLPHGANJJOATOY-CQSZACIVSA-N 229.327 2.516 30 20 BFED C[C@@H](CN1CC[C@@](F)(C#N)C1)c1ccccc1 615638541 HXCHUTRUPWCANT-GXTWGEPZSA-N 232.302 2.728 30 20 BFED C[C@@H](CN1CC[C@](F)(C#N)C1)C(C)(C)C 619845832 PLYXRTNDYWLSCW-JQWIXIFHSA-N 212.312 2.606 30 20 BFED C=CCN(C(=O)c1cncc(F)c1)C(C)(C)C 622944365 OXKWWKWVRJZFFQ-UHFFFAOYSA-N 236.290 2.647 30 20 BFED C=CC[C@@H]1CCCN(CC2(CC(=O)O)CC2)C1 656760171 QFIMNVZQIUALQS-GFCCVEGCSA-N 237.343 2.529 30 20 BFED C=CCC1(NC(=O)NC[C@@H]2C[C@@H]2C)CCCC1 663716486 MLVLQDFZZBGEJE-RYUDHWBXSA-N 236.359 2.831 30 20 BFED C=CCCC(=O)N1CC[C@@H](C2CCC2)C1 665680180 FTCVOLUKYYSLAX-GFCCVEGCSA-N 207.317 2.601 30 20 BFED C=CC[C@@H](CC)NC(=O)C1CCC(OC)CC1 684939543 QNBGFCXJOZJZPF-OTTFEQOBSA-N 239.359 2.663 30 20 BFED CS[C@H]1CC[C@@H](N(C)CC2(C#N)CC2)C1 691524611 DOEUNISHKYBBHV-MNOVXSKESA-N 224.373 2.506 30 20 BFED C#CCCCCC(=O)N1C[C@@H](C)C[C@H]1CC 692916400 IILFVAYOCBYFDB-QWHCGFSZSA-N 221.344 2.827 30 20 BFED C=C(C)CN(CC)C(=O)c1ncoc1C(C)C 731894878 CDLMNGJLZRVUIB-UHFFFAOYSA-N 236.315 2.836 30 20 BFED C=CCCCOC(=O)c1ccc(C)c(O)c1 735529158 XJKWZQLOTCPUSG-UHFFFAOYSA-N 220.268 2.824 30 20 BFED CCC(COC)=NNc1cccc(OC)c1 735972877 XDRWMJTZJWXKIO-UHFFFAOYSA-N 222.288 2.520 30 20 BFED C#CCCOC(=O)C[C@@H]1CCC[C@@H](C)C1 747107282 SSKJVFQIHRXCBE-VXGBXAGGSA-N 208.301 2.769 30 20 BFED CCn1nccc1/C=C1/Oc2ccccc2C1=O 753717650 OCNHFNSQOGJPFP-UKTHLTGXSA-N 240.262 2.519 30 20 BFED C=CCN(Cc1ccnc(N(C)C)c1)C(C)C 754006790 AGQLEDOKXPVUIK-UHFFFAOYSA-N 233.359 2.544 30 20 BFED C1=C[C@H]2C[C@H]1C[C@H]2C=NNc1ccccn1 755519424 LFYRWFMRLBXSQD-SRVKXCTJSA-N 213.284 2.692 30 20 BFED CC(C)C=NNc1nc2ccccc2n1C 755649818 ZBZIDIRLHWXGRS-UHFFFAOYSA-N 216.288 2.627 30 20 BFED CC#CCCOC(=O)Cc1cc(C)ccc1OC 760292286 QZHBHUCOROCAFF-UHFFFAOYSA-N 246.306 2.503 30 20 BFED CCO[C@@H](C)C(=O)O[C@H](C)c1cccc(C#N)c1 764609678 VXAZYSJJHAREQZ-MNOVXSKESA-N 247.294 2.587 30 20 BFED C(CCC1CCOCC1)=NNC1CCCC1 764910917 FRKIREOOBRULIU-UHFFFAOYSA-N 224.348 2.711 30 20 BFED C[C@H]1CCC(=NN=c2cc[nH]cc2)C[C@H]1C 767387255 YUICNCDAUNVUPY-WDEREUQCSA-N 217.316 2.728 30 20 BFED C#CCCN(CC(F)(F)F)C(=O)/C=C\CCC 768615045 QAWQIJWTITZHDI-FPLPWBNLSA-N 247.260 2.757 30 20 BFED C#C[C@H](C)NC(=O)NC(CC(C)C)CC(C)C 773597454 JIOTYRCSQIJKBC-LBPRGKRZSA-N 238.375 2.768 30 20 BFED C[C@H](Cc1ccco1)N[C@H]1CCC[C@@H](C#N)C1 774116562 NUGACHJTZZIXLS-UPJWGTAASA-N 232.327 2.883 30 20 BFED C[C@H]1CCC[C@@H](COC(=O)c2ccc(C#N)[nH]2)C1 776113751 QFZOQGIZJAISNL-WDEREUQCSA-N 246.310 2.869 30 20 BFED CC#CCOC(=O)Cc1ccccc1SC 777168457 FSCNRALAMBEGJI-UHFFFAOYSA-N 234.320 2.518 30 20 BFED CCC(CC)CNN=C(C)c1ccnc(OC)c1 782271578 GKOFXSHBDJPLKL-UHFFFAOYSA-N 249.358 2.840 30 20 BFED CCCCCCCCOC(=O)C1(C)COC1 782394550 XHWKLMLVYCNYSO-UHFFFAOYSA-N 228.332 2.927 30 20 BFED CC(=NNCCC(C)(C)C)c1nccs1 782902506 BEHBRZJIKCWAOG-UHFFFAOYSA-N 225.361 2.893 30 20 BFED CC[C@H](C#N)OC(=O)CCCc1ccsc1 783400228 IYTZEOINHGGPJE-LLVKDONJSA-N 237.324 2.916 30 20 BFED CC(=NNC1CCCCC1)c1ccccn1 786042586 ZOVXRDAIUWMSOE-UHFFFAOYSA-N 217.316 2.728 30 20 BFED C=CCCC(=O)O[C@H](CC)C(=O)OC(C)(C)C 791360204 OBOCQRUJKAOTRP-SNVBAGLBSA-N 242.315 2.616 30 20 BFED CC[C@H](NN=C(C)C[C@@H](C)CC(C)C)C(=O)O 793077723 HDIIDILPOYOEGA-JQWIXIFHSA-N 242.363 2.887 30 20 BFED C[C@H]1COCCC1=NN[C@H]1CCCCC1(C)C 794537458 IGOAZSBHIHEQGN-AAEUAGOBSA-N 238.375 2.957 30 20 BFED c1ncc(NN=C2CCC[C@H](C3CC3)C2)cn1 794977939 DPQKGXPJQRMALE-NSHDSACASA-N 230.315 2.845 30 20 BFED C=CCNN=C(C)c1ccc(SC)cc1 795003834 RHPFCPWGSRTHJH-UHFFFAOYSA-N 220.341 2.908 30 20 BFED C=CCOC(=O)c1c(F)cccc1SC 798752103 WWEHHGSUCNRMCJ-UHFFFAOYSA-N 226.272 2.890 30 20 BFED C=C(Cl)CN(C)Cc1cnc(C(C)C)nc1 799334665 WBZGLGWDBUYROU-UHFFFAOYSA-N 239.750 2.784 30 20 BFED N#CC1(COC(=O)/C=C\c2ccc[nH]2)CCCC1 802128550 RXISBJXQSFZXMR-WAYWQWQTSA-N 244.294 2.655 30 20 BFED C=C(C)[C@H](CC(=O)OCCCCF)OCC 803408954 QIOOEGXHMCNWAX-NSHDSACASA-N 232.295 2.651 30 20 BFED N#Cc1ccc(CNN=C2CC[C@H]2C2CC2)cc1 814882566 LGBNOUFLQLEEBW-AWEZNQCLSA-N 239.322 2.824 30 20 BFED CC[C@@H](C)NN=C1COc2cccc(Cl)c21 814913331 LQHBHZJYRDAAAY-MRVPVSSYSA-N 238.718 2.825 30 20 BFED CC(=NOCC1CC1)c1ccccc1C#N 814941262 TXUOQDKFTRDVFM-UHFFFAOYSA-N 214.268 2.709 30 20 BFED C=C(C)CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C 822125989 XAAJHUKUCNYMKK-UHFFFAOYSA-N 248.282 2.518 30 20 BFED C#CC1CCN(C(=O)NCCCCCC)CC1 825534616 QISIRZLYSQMQDV-UHFFFAOYSA-N 236.359 2.622 30 20 BFED COc1cc(CC(C)=NOCC(C)C)ccn1 834965925 JNWGVGFNEAEPFA-UHFFFAOYSA-N 236.315 2.681 30 20 BFED CC[C@H](C)[C@H](C=NOC/C=C\Cl)OC 834979582 PNLYCADMYLMZIR-CGSMLDGDSA-N 219.712 2.802 30 20 BFED C[C@@H]1CCCC(=NNc2ccncn2)[C@@H]1C 835002269 TXUDFHWOVJEXIO-NXEZZACHSA-N 218.304 2.701 30 20 BFED CC(C)ON=Cc1ccc2c(c1)OCCCCO2 835003210 WJWBFGMICXQLOL-UHFFFAOYSA-N 249.310 2.997 30 20 BFED CC[C@@H](CC#N)OC(=O)C1(C(F)(F)F)CCC1 835339450 DQBBFOMGIBWOCB-QMMMGPOBSA-N 249.232 2.954 30 20 BFED C=CC(C)(C)COC(=O)C1(OC)CCCC1 835723090 MSRMMPYGOMLGQO-UHFFFAOYSA-N 226.316 2.701 30 20 BFED C#CCC[C@@H](C)OC(=O)CC1CC(OCC)C1 839038636 KKVNMTSYHYWCSO-PNESKVBLSA-N 238.327 2.537 30 20 BFED FC1(F)CCC(=NN[C@H]2CCSC2)CC1 842533542 RQHFALRIABRHJT-VIFPVBQESA-N 234.315 2.647 30 20 BFED CCCON=Cc1cc(Cl)cc(F)c1O 842553251 HYTYDBFHGQZCBJ-UHFFFAOYSA-N 231.654 2.945 30 20 BFED C[C@H](CC#N)OC(=O)/C=C/C1CCCC1 842716516 HELYHMQEYUZGFO-VQCYPWCPSA-N 207.273 2.578 30 20 BFED C[C@H]1CCCCCC1=NNCC(C)(C)CO 844595291 YIFIQQOWMZLFLT-NSHDSACASA-N 226.364 2.551 30 20 BFED C=C[C@H](C)OC(=O)c1cnc2n1[C@H](C)CCC2 845521324 AECYPUQPYMPAOF-ZJUUUORDSA-N 234.299 2.512 30 20 BFED C=C(C)CONC(=O)Cc1ccc(Cl)s1 846533483 JLUWCDDFYJHHCD-UHFFFAOYSA-N 245.731 2.568 30 20 BFED C=CCNC(=N)NCc1ccc2sccc2c1 849084982 SCIXFUPWBXLYMQ-UHFFFAOYSA-N 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20 BFED C=C(C)CONC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 846533962 QHZIWNKHFHDVPL-QWHCGFSZSA-N 249.285 2.553 30 20 BFED C=C[C@@H](C)ONC(=O)c1ccc(C(=O)CC)cc1 846546336 BUOJRRUBFNBXLZ-SNVBAGLBSA-N 247.294 2.515 30 20 BFED COc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)o1 847076453 DVXLBJQVBPZPRB-VHSXEESVSA-N 249.266 2.527 30 20 BFED C[C@@H](CC(C)(C)C#N)OC(=O)Cc1ccco1 851207653 FPFBLHGCRPDUNI-JTQLQIEISA-N 235.283 2.694 30 20 BFED C#CCOCCN(C)[C@@H](C)c1ccc(C)cc1C 851733648 CDXNUPGCDKUFRK-HNNXBMFYSA-N 245.366 2.946 30 20 BFED CC(=NN1CCCC[C@H]1C)c1cncc(C)c1 853380478 UHZIEIMVQBGWBA-GFCCVEGCSA-N 231.343 2.988 30 20 BFED CS[C@H]1CC[C@H](Nc2nc(C#N)ccc2C)C1 853385616 FBPBETCTNUPVMA-JQWIXIFHSA-N 247.367 2.958 30 20 BFED N#Cc1cccc(OCCCON=CC2CC2)c1 853734820 KGQCMDNILXCTQU-UHFFFAOYSA-N 244.294 2.740 30 20 BFED Cc1cccc(OCCON=CC2CC2)c1 853737002 XHFBZEJVFKZOKG-UHFFFAOYSA-N 219.284 2.786 30 20 BFED C#CCCCOC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21 859853016 AJQWRCRJEDVLIX-QLFBSQMISA-N 240.302 2.529 30 20 BFED 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30 20 BFED CCCCCCCN1C[C@@H]2CCN(C)C[C@@H]2C1 931434890 AHQKICDEKXZNPL-LSDHHAIUSA-N 238.419 2.840 30 20 BFED CC1(C)CC[C@@H]1NC(=O)Nc1sccc1C#N 931836135 ARNFBKZYNIQLKB-VIFPVBQESA-N 249.339 2.930 30 20 BFED C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CSC 934916317 BXVSQGBRHQNVRW-VXGBXAGGSA-N 241.400 2.943 30 20 BFED C=C[C@H](CC)CC(=O)Nc1cccc2c1OCO2 935322844 HVRYICXZEFEBIR-SNVBAGLBSA-N 247.294 2.956 30 20 BFED C=CCC(F)(F)c1nnc([C@@H]2CCCCO2)o1 1118377435 XUPLRYJDCVOIKL-QMMMGPOBSA-N 244.241 2.979 30 20 BFED CC(C)[C@@H](C#N)C=NN1CCCC[C@H]1C 1118530050 YNFDINZMRBPSFC-NEPJUHHUSA-N 207.321 2.642 30 20 BFED C#CC[C@@H](C)OC(=O)C1CC2(CCC2)C1 1122652776 NQNOTIMTSRSMBQ-SNVBAGLBSA-N 206.285 2.522 30 20 BFED N#Cc1ncccc1SCc1ccc(F)cn1 1166183123 VBGCPZCNBYLJRZ-UHFFFAOYSA-N 245.282 2.780 30 20 BFED CC[C@@H](C#N)C(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 1179995479 RHQLFFFJCYGQND-SDDRHHMPSA-N 234.343 2.573 30 20 BFED C/C=C\COC(=O)C1(c2cccc(C#N)c2)CC1 1319518901 AVWHQPIKRWYWDB-IHWYPQMZSA-N 241.290 2.709 30 20 BFED 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30 20 BFED C#C[C@](C)(CC)NC(=O)[C@H]1CCCC[C@H]1C 714394080 LIYIOSHUIZJOMW-MBNYWOFBSA-N 221.344 2.731 30 20 BFED C=CC[C@@H](CC)NC(=O)c1cc(C)co1 718489302 KBGYMSOPRHJEDB-SNVBAGLBSA-N 207.273 2.673 30 20 BFED COc1ccc(CNN=C2CCC[C@@H]2C)cc1 729141870 JAQHKESBKKFSII-NSHDSACASA-N 232.327 2.961 30 20 BFED C#CCCOC(=O)C=C1CCC(C)CC1 734229507 JAWGITWWLXVYPK-UHFFFAOYSA-N 206.285 2.689 30 20 BFED CCC(CC)NN=Cc1ccc(C#N)cc1 734364688 BJCORARLHAZBRY-UHFFFAOYSA-N 215.300 2.670 30 20 BFED C=CC[C@H](NC(=O)N(C)C1CC1)c1ccncc1 734685077 XMMPNDBBSMVXCJ-ZDUSSCGKSA-N 245.326 2.503 30 20 BFED C[C@@H](CS[C@H](C#N)Cc1ccccc1)C(=O)O 736606741 GLLHZWKJIFKZQW-JQWIXIFHSA-N 249.335 2.575 30 20 BFED C=C(C)CNC(=S)NC1C[C@H](C)C[C@@H](C)C1 739461410 XNGRQDFJMOKOPD-GHMZBOCLSA-N 240.416 2.851 30 20 BFED C[C@H](C(=O)Oc1ccc(C#N)cc1)c1ccco1 741504345 ILMCSGCTFLQFDB-JTQLQIEISA-N 241.246 2.860 30 20 BFED CC[C@@H](C)[C@H](C)NC(=O)C#Cc1ccccc1 747366173 VGVFQCWAFYYUST-OLZOCXBDSA-N 229.323 2.589 30 20 BFED C/C=C(\C)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 751375093 ZJVVKQVFHUINJM-KBNZMGLGSA-N 248.713 2.987 30 20 BFED CCc1nc(C=NNC2CCCC2)cs1 755688517 AWSPFKDOBAINDC-UHFFFAOYSA-N 223.345 2.572 30 20 BFED CC(C)(C)CC=NNc1ncccc1[N+](=O)[O-] 755770264 XIQKBRHLZBXYFN-UHFFFAOYSA-N 236.275 2.824 30 20 BFED CCC(=NN=c1cc[nH]cc1Cl)C1CC1 756841959 FPFFPFKTEZNGOI-UHFFFAOYSA-N 223.707 2.745 30 20 BFED N#CCCCOC(=O)c1c[nH]c2ccc(F)cc12 764175390 ZBEDNSPSDHGHEL-UHFFFAOYSA-N 246.241 2.768 30 20 BFED C#CCCN(CC(F)(F)F)C(=O)C1CCCC1 767155226 SLJVJBDYWZJBNS-UHFFFAOYSA-N 247.260 2.591 30 20 BFED CCCCCCCN(C)CCN(C)C1CC1 770685667 BIBAKXLWVDRMCV-UHFFFAOYSA-N 226.408 2.983 30 20 BFED CCc1ccc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)o1 774593647 PTAKZIHORAPTBC-MJVIPROJSA-N 232.327 2.954 30 20 BFED CC(C)(C#N)CCOC(=O)/C=C\c1ccco1 776360617 CGIRAMOQIUKRBV-WAYWQWQTSA-N 233.267 2.776 30 20 BFED C=C(C)CNC(=O)NC[C@H](C)C(C)(C)C 777661721 VOFXEXVFZSBNKL-JTQLQIEISA-N 212.337 2.544 30 20 BFED O=C(NO)c1cc(-c2ccccn2)ccc1Cl 782178236 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CS[C@@H](C)COC(=O)c1sccc1C#N 835680653 HSWURFWIRQSJCL-ZETCQYMHSA-N 241.337 2.528 30 20 BFED CC(=O)CCCCCOC(=O)CC(C)(C)C#N 837676347 MTXFHRQFYBRHSL-UHFFFAOYSA-N 239.315 2.619 30 20 BFED C=CCCC(=O)COC(=O)C1=CC[C@H](C)CC1 838346617 ONGBDVLIKSBZEO-NSHDSACASA-N 236.311 2.811 30 20 BFED CC[C@H](SC)C(=O)O[C@H]1CCC[C@H](C#N)C1 839050326 ASKJMCGFPUQUMT-DCAQKATOSA-N 241.356 2.754 30 20 BFED C=C[C@H]1CCCCN1C(=O)Nc1ccc(N)cc1 841296783 IDJQFGQJNPBBPI-ZDUSSCGKSA-N 245.326 2.841 30 20 BFED C[C@H](CO)N(C)N=Cc1csc2ccccc12 842544246 RNYQMBCTRYORHC-SNVBAGLBSA-N 248.351 2.548 30 20 BFED C=C[C@H](C)ONC(=O)Nc1cscc1C 844568977 FOVSSXDPLLAALZ-QMMMGPOBSA-N 226.301 2.684 30 20 BFED C=C[C@H](C)ON=C(C)c1csc(C)n1 844621970 RBVULGMKXCIRKK-ZETCQYMHSA-N 210.302 2.767 30 20 BFED CC[C@H](OC(=O)c1cccc(C#N)n1)C(C)C 845850528 IWRXPCDWDIEFFE-LBPRGKRZSA-N 232.283 2.545 30 20 BFED C=CCC[C@H](NCc1cnon1)c1ccccc1 851901293 CJLLHEJGNPKMIW-AWEZNQCLSA-N 243.310 2.867 30 20 BFED CC(C)n1ccnc1C=NOC1CCCC1 853328063 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216.284 2.965 30 20 BFED C=CCOCCN[C@@H](C)c1cccc(F)c1F 272607715 VPDIXYRWHQVVMY-JTQLQIEISA-N 241.281 2.818 30 20 BFED C[C@@H]1CN(c2ccc(C#N)cn2)[C@@H]2CCCC[C@@H]12 272874831 DZECSCLGXMMVBP-KWCYVHTRSA-N 241.338 2.968 30 20 BFED C=CCN(Cc1cc(C)ccc1O)C1CC1 273540422 WWGGBVLLZOMIRP-UHFFFAOYSA-N 217.312 2.851 30 20 BFED CCN(CC#N)Cc1ccc(Cl)cc1C#N 274789963 NMLFBRWVIPZNSW-UHFFFAOYSA-N 233.702 2.557 30 20 BFED C=CCN[C@H]1CCN(Cc2ccccc2)C[C@H]1C 274865339 VMLILOQMLVOKCO-ZBFHGGJFSA-N 244.382 2.673 30 20 BFED C#CCN(C)C(=O)Cc1ccc(C(C)(C)C)cc1 277002244 ZODBVNGEIQKDKE-UHFFFAOYSA-N 243.350 2.618 30 20 BFED C=CC[C@H](CC)NC(=O)N(CC)CCC 281273465 HOPBXCVWWUFSBY-NSHDSACASA-N 212.337 2.783 30 20 BFED COc1c(C=O)cccc1OCCC(C)(C)C#N 281761914 CPDKFAMEIHVGFS-UHFFFAOYSA-N 247.294 2.826 30 20 BFED C=CC[C@@H](CC)NC(=O)Cc1ccc(C)c(O)c1 281864639 YZZSNDNPXRVGBM-CYBMUJFWSA-N 247.338 2.714 30 20 BFED C#C[C@@H](NC(=O)c1ccc(Cl)s1)C(C)C 281940951 HSXWPTNQUUAORA-MRVPVSSYSA-N 241.743 2.789 30 20 BFED 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30 20 BFED C=C(CC)CNC(=O)Nc1noc2c1CCCC2 934351881 ZOTZONRJIFNDAG-UHFFFAOYSA-N 249.314 2.641 30 20 BFED C=CCCCCNC(=O)c1cccc2c1OCC2 935437286 GDOKZXHXOFMWDZ-UHFFFAOYSA-N 245.322 2.708 30 20 BFED C#CCCCCCCN[C@@H]1CC[C@H](OC)C1 1119243966 AGQMYQIFPIJSIK-KGLIPLIRSA-N 223.360 2.727 30 20 BFED N#Cc1cccc(NC[C@@H]2C[C@H]3C=C[C@H]2C3)n1 1119983249 RFUHYCWYVJGTPJ-SRVKXCTJSA-N 225.295 2.577 30 20 BFED C#CC[C@H](C)OC(=O)[C@]1(C)CCC[C@@H]1C 1122728880 DUBBVXRPAJHZJY-GMXVVIOVSA-N 208.301 2.768 30 20 BFED Cc1ccnc(CSCCCC#N)c1 1255680877 BJJQYMHFCVAKBK-UHFFFAOYSA-N 206.314 2.927 30 20 BFED C#Cc1ccc(N[C@H]2CCC2(C)C)nc1 1262696415 FTRBTOCUPWLKNF-NSHDSACASA-N 200.285 2.663 30 20 BFED C#CCN(CC1CC1)c1nc2cccc(F)c2o1 1329175003 KSQBUQIUOKEAML-UHFFFAOYSA-N 244.269 2.817 30 20 BFED C=CCCCC[C@H](C)N[C@H](CC=C)C(=O)O 1334776617 GVALWNQIBPADMB-NWDGAFQWSA-N 225.332 2.740 30 20 BFED C#Cc1ccc(NC[C@H](CCC)OCC)nc1 1336695076 HBNWANVEIDGJKD-ZDUSSCGKSA-N 232.327 2.680 30 20 BFED C=CCCC[C@@H](C)NC(=O)NC1(C)CC1 1337263512 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C=C(C)CSCc1nnc2n1CCCCC2 278578306 CZWFUGSTIRFEFB-UHFFFAOYSA-N 237.372 2.814 30 20 BFED CN(Cc1ccccc1F)[C@@H]1CC[C@@H](C#N)C1 278739401 WKDICQCKCVKBAZ-DGCLKSJQSA-N 232.302 2.950 30 20 BFED CCCC[C@@H](C)C(=O)Nc1ccn(CCC#N)n1 281798449 FXWNBECPZKJLCO-LLVKDONJSA-N 248.330 2.562 30 20 BFED Cc1nnc(N[C@@H](CCC#N)c2ccccc2)o1 286105563 FPYDSLARMAOSMT-LBPRGKRZSA-N 242.282 2.835 30 20 BFED C#CCOc1ccccc1NCCOC1CCC1 288770321 USIXYMJVSWPOHJ-UHFFFAOYSA-N 245.322 2.680 30 20 BFED C#Cc1ccc(CN(C)[C@@H](CO)C(C)(C)C)cc1 289021670 ASKNEUQQFHIWJT-HNNXBMFYSA-N 245.366 2.507 30 20 BFED C=C(C)CCc1noc(C[C@@H]2CCC(=O)[C@H]2C)n1 289083666 JTSOVPOZDJDWSU-QWRGUYRKSA-N 248.326 2.736 30 20 BFED C[C@@H]1CCCN1C(=O)Nc1ccc(C#N)c(F)c1 289703506 IUKLCEWCCHTKSD-SECBINFHSA-N 247.273 2.714 30 20 BFED C=CCOCCNC(C)(C)c1ccccc1 293001878 GVBJVOHAOMPCOO-UHFFFAOYSA-N 219.328 2.714 30 20 BFED C=C(C)Cn1c(C)nnc1N1CC[C@@H](C)[C@@H]1CC 293025596 PVCOPOIJHPNVGG-YPMHNXCESA-N 248.374 2.787 30 20 BFED C=CCC(F)(F)C(=O)N1CC[C@@H](C)C[C@@H]1C 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BFED C=C(C)CCN[C@H](C)c1ccnc(OC)c1 309871614 QUHVNBVNLXAKGS-LLVKDONJSA-N 220.316 2.707 30 20 BFED C=CCCN[C@H]1C[C@H](C)N(Cc2ccccc2)C1 309969269 HUVXFGNOSVOLKI-HOCLYGCPSA-N 244.382 2.815 30 20 BFED C=CCOCCSC1(CO)CCCCC1 313146779 SOROYEBXTXSSGN-UHFFFAOYSA-N 230.373 2.617 30 20 BFED Cc1ccnc(CNc2nc(C)ccc2C#N)c1 328165892 JEOFPPKNFWGAGL-UHFFFAOYSA-N 238.294 2.577 30 20 BFED Cc1ncoc1/C(O)=N/C[C@@H]1CCCCS1 329658186 NOYIPFUWGIMCJY-VIFPVBQESA-N 240.328 2.573 30 20 BFED O/C(CC1CCCC1)=N/Cc1nnc(C2CC2)o1 329948982 ZOTYLMDMOMSJFF-UHFFFAOYSA-N 249.314 2.984 30 20 BFED CCC(CC)[C@H](C)C(=O)N[C@@H]1CCC[C@H]1C#N 330537599 PVZJGKJEQVCEBP-WCFLWFBJSA-N 236.359 2.867 30 20 BFED CC[C@H](C)[C@@H](C)/N=C(/O)Nc1ccnc(C)n1 331196988 ZITAKIPIECTHPH-DTWKUNHWSA-N 236.319 2.546 30 20 BFED CC(C)=CCn1cc(C#N)c(=O)c2ccccc21 334155381 VEVHGRQFBOXJKD-UHFFFAOYSA-N 238.290 2.839 30 20 BFED CC[C@](C)(C#N)C(=O)N1CCC[C@H](C(C)C)C1 334253731 KDDHDCSNECKEGS-GXTWGEPZSA-N 236.359 2.821 30 20 BFED C[C@@H](C#N)C(=O)Nc1ncc(C(C)(C)C)s1 334320530 ZYHXZTDHAQFCHN-ZETCQYMHSA-N 237.328 2.539 30 20 BFED C=C1CCN(Cc2ccc3c(n2)CCC3)CC1 334557302 YTDHWRBXWSGQBA-UHFFFAOYSA-N 228.339 2.722 30 20 BFED C[C@H]1CCN(CCC(C)(C)C#N)CCS1 335086584 UUVNSTHNYQJJPJ-NSHDSACASA-N 226.389 2.754 30 20 BFED C[C@H]1CC=C(C(=O)N2CCC(C)(C#N)CC2)CC1 335148053 RCXUDYAPCRELRM-LBPRGKRZSA-N 246.354 2.885 30 20 BFED C[C@@]1(Cc2cccc(F)c2)CCCN1CC#N 335397444 XODYNHFBYMHVBV-AWEZNQCLSA-N 232.302 2.746 30 20 BFED C=C[C@@H]1CCCCN1C(=O)c1cc(C)sn1 336093835 IOZMORAZTGFKLY-SNVBAGLBSA-N 236.340 2.632 30 20 BFED CC1(C)CCCN(Cc2cscn2)[C@@H]1C#N 336461204 YAIPDOLMNZCJSN-LLVKDONJSA-N 235.356 2.657 30 20 BFED C=C[C@@H]1CCCCN1C(=O)c1ccnn1C(C)C 336621841 QISKTKBENWOBSO-GFCCVEGCSA-N 247.342 2.645 30 20 BFED Cc1c(C#N)cccc1C(=O)N[C@H](C)C(C)C 337759543 NXBIQWUCTGBHOI-LLVKDONJSA-N 230.311 2.641 30 20 BFED COCC(C)(C)CCCNc1ccc(C#N)nc1 340869628 FCSYTXZKDXVADE-UHFFFAOYSA-N 247.342 2.818 30 20 BFED C=CC[C@H](CC)NCc1cccc(OCC)n1 341458302 KHOZNQPYHAZZIH-LBPRGKRZSA-N 234.343 2.925 30 20 BFED C=CC[C@H](CO)CN[C@H](C)c1ccccc1OC 341889349 RDQYVMGEBYEMOB-OLZOCXBDSA-N 249.354 2.530 30 20 BFED CCSCC[C@@H](C)N(C)CC1(C#N)CC1 343307890 YVHINONTSXVGRF-LLVKDONJSA-N 226.389 2.754 30 20 BFED N#CCCCNCc1coc(-c2ccccc2)n1 344325444 MBSNGMAVZJTYQT-UHFFFAOYSA-N 241.294 2.735 30 20 BFED C=CC[C@H](C)[C@H](C)NC[C@H]1CCC[C@@H](CO)C1 348757978 XMUUIHPKMTZLFJ-ZQDZILKHSA-N 239.403 2.975 30 20 BFED C=C(C)CCc1noc(CCc2ccncc2)n1 349771001 FKVYXCQVJXHAEW-UHFFFAOYSA-N 243.310 2.759 30 20 BFED CN(CCCCC(C)(C)C#N)[C@@H]1CCCOC1 352221648 NETCOJZMXCQBSO-CYBMUJFWSA-N 238.375 2.817 30 20 BFED C=C(C)CN(CC)S(=O)(=O)CCC(C)(C)C 354630199 XOKPLRAHYGHUFQ-UHFFFAOYSA-N 247.404 2.650 30 20 BFED CCN(CCC1CC1)C(=O)CC(C)(C)C#N 356043302 NZFBIEDEQGYFDM-UHFFFAOYSA-N 222.332 2.575 30 20 BFED C=CCN(C(=O)NCC1(C(C)C)CC1)C1CC1 357868249 KNJIKMJLLUHUEE-UHFFFAOYSA-N 236.359 2.783 30 20 BFED C=C(CC)CSCC(=O)N[C@@H](C)C(C)C 358639828 URHSCIWMHQDVFB-NSHDSACASA-N 229.389 2.847 30 20 BFED CC(C)c1cccc(CNC(=O)[C@@H](C)C#N)c1 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30 20 BFED C=CCC[C@@H](NCCC1=CCNCC1)C1CC1 423536404 HTTXAPYBGFHQFP-OAHLLOKOSA-N 234.387 2.631 30 20 BFED C=CCOc1cccc(NC(=O)[C@@]2(C)C[C@H]2F)c1 424598665 LPWXQNAXJVWTDC-OCCSQVGLSA-N 249.285 2.938 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@@H](C)Cc1ccncc1 424717450 WIWWIFBFRLTXJI-LBPRGKRZSA-N 246.354 2.731 30 20 BFED C=C[C@@H]1CCCCN1Cc1cn(C(C)(C)C)nn1 426582076 XWNZZAYOUXONFP-CYBMUJFWSA-N 248.374 2.574 30 20 BFED CC(C)[C@H]1CCCN(C[C@@H](C#N)CCC#N)C1 444765257 DFYDQGUEGLKWDV-KGLIPLIRSA-N 233.359 2.798 30 20 BFED C=C(C)CCNC(=O)c1c(F)cccc1OC 448551031 QDIDYBIWTDQAAH-UHFFFAOYSA-N 237.274 2.530 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=CCCCC1 448589510 JQJMSVYKDOYXSW-KGLIPLIRSA-N 249.354 2.584 30 20 BFED C=CCCCN1CC[C@@H](OC)C(C)(C)C1 451556952 WJEITUFLYYMNLV-GFCCVEGCSA-N 211.349 2.700 30 20 BFED C=C[C@@H]1OCCC[C@H]1NCCc1ccc(C)cc1 451682283 OSDYYWQDQMIVEG-CVEARBPZSA-N 245.366 2.861 30 20 BFED C=CCC(C)(C)C(=O)N[C@@H](CC)C(F)F 452262284 IXLAAUOSQCVTEQ-QMMMGPOBSA-N 219.275 2.749 30 20 BFED C=C(C)CCNC(=O)[C@@H]1CCO[C@@H](CCC)C1 452719991 VFKRQLLHHFMOSO-OLZOCXBDSA-N 239.359 2.664 30 20 BFED C=CCC[C@@H](CO)N[C@H]1CCc2c(C)cccc21 453377465 XODDRBIGYHPBFO-BBRMVZONSA-N 245.366 2.899 30 20 BFED C=C(C)CCNC(=O)N(CCC)CC(F)F 455303875 BCAIVEFZWUQQCQ-UHFFFAOYSA-N 234.290 2.639 30 20 BFED C=CC[C@@H](CO)CNC(=O)CCCCC(C)C 457712338 QGSUNTNJRRMORM-CYBMUJFWSA-N 241.375 2.504 30 20 BFED CC[C@H]1CCCN1C(=O)NCC(C)(C)CC#N 459255498 GZWBULQLQZIDTP-NSHDSACASA-N 237.347 2.510 30 20 BFED CC[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(C#N)c1 459775923 NAYSKVBAOUONRY-GLQYFDAESA-N 244.338 2.776 30 20 BFED C=C(C)CNC(=O)N1CC[C@@H](C(C)(C)C)C1 488575671 UASYRMIZRHYSOW-LLVKDONJSA-N 224.348 2.640 30 20 BFED C=CCn1cccc1C(=O)N(CC)C(C)C 489074302 MUBCVPMBGNMHDQ-UHFFFAOYSA-N 220.316 2.545 30 20 BFED C#CCN(C(=O)CCCCCC)C1CC1 491742303 LOFWZLOUJQVBGF-UHFFFAOYSA-N 207.317 2.581 30 20 BFED C#C[C@H](C)N(C)C(=O)[C@H](C)c1cccc(Cl)c1 491751336 XVPXXDMBZFEQGQ-WDEREUQCSA-N 249.741 2.924 30 20 BFED C=CCN(C(=O)/C=C\C1CCCC1)C1CC1 493221104 LEBHXMJOMSQVOD-YFHOEESVSA-N 219.328 2.910 30 20 BFED C=C[C@@H]1OCCC[C@H]1NC(=O)/C=C/C1CCCC1 493514253 HPNWMBMSINZRGC-HOQBHHMFSA-N 249.354 2.583 30 20 BFED C=C[C@@H]1CCCCN1C(=O)/C=C/C=C/C 493828941 VYYHPOCYUZXPJF-YCPQIBHVSA-N 205.301 2.686 30 20 BFED C=C(C)CN(CC)CC(=O)c1cc(C)n(C)c1C 531255407 SKOKFEISOADNPN-UHFFFAOYSA-N 248.370 2.723 30 20 BFED Cc1cc(C#N)c(=O)n(C[C@@H]2CCCC[C@H]2C)c1 566499101 MOAOPOKXXJNIQS-OLZOCXBDSA-N 244.338 2.855 30 20 BFED C=CCCCN(C)[C@H](Cc1ccccc1)C(=O)O 583999465 KTXWNXFYRXDURV-CQSZACIVSA-N 247.338 2.580 30 20 BFED C[C@@H]1CC[C@H](CC(=O)Nc2cccc(C#N)n2)C1 584412658 LQEPVODOLBYGMO-MNOVXSKESA-N 243.310 2.718 30 20 BFED CC[C@@H](CSC)NC(=O)CCCCCC#N 588667809 NWCRDNCTOIOBIF-NSHDSACASA-N 242.388 2.718 30 20 BFED N#CCC[C@@H](C#N)CN1CC[C@@H](C2CCC2)C1 591061967 PTRSRXLGJIUDAV-GXTWGEPZSA-N 231.343 2.552 30 20 BFED CCN(Cc1ccc(C#N)cn1)[C@@H](C)C(C)C 593955066 XLAJPXVOGUWLDY-LBPRGKRZSA-N 231.343 2.820 30 20 BFED CC[C@H](CC#N)NCc1ccc(C#N)cc1C 594006816 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BFED CCC1(C)CCN(C(=O)[C@@]2(C#N)C[C@@H]2C)CC1 334712969 ABYZCWCZYSGODW-SMDDNHRTSA-N 234.343 2.575 30 20 BFED CN(CCC#N)C(=O)Nc1ccc2ccoc2c1 334798829 KDUCUZSGDNIJDR-UHFFFAOYSA-N 243.266 2.810 30 20 BFED N#C[C@@H]1CC[C@@H](NC2CCC(F)(F)CC2)C1 335620988 ZHESNWDVXXVSOA-MWLCHTKSSA-N 228.286 2.846 30 20 BFED C=C1CCN(C(=O)C2=C(C)CCC2)CC1 335709012 ZAXNJVMAXFYIMO-UHFFFAOYSA-N 205.301 2.665 30 20 BFED C[C@H]1CCC[C@H](C(=O)N2CCC(CC#N)CC2)C1 335905713 BBEMQOWNPQMKGE-JSGCOSHPSA-N 248.370 2.965 30 20 BFED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)C1CC1 336094738 LPRATWVYGDJCRR-CMPLNLGQSA-N 207.317 2.600 30 20 BFED CO[C@H]1CCN(c2cccc(F)c2C#N)C[C@H]1C 336271373 PTXHFKKWGSZFDQ-YGRLFVJLSA-N 248.301 2.559 30 20 BFED Cc1c(Cl)cnc(N2C[C@H]3CCC[C@H]32)c1C#N 336500252 NFMOAYSCNAZLAN-BXKDBHETSA-N 247.729 2.904 30 20 BFED C=C(C)CNCc1nc(CCC)cs1 336651081 JJXGVLJFTWJCMA-UHFFFAOYSA-N 210.346 2.761 30 20 BFED C=CCN1CCC(N[C@@H]2CCC23CCC3)CC1 337537382 YUVWXLFVRZNMDX-CQSZACIVSA-N 234.387 2.559 30 20 BFED C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1OC 337752202 QPYROJMNHJJCQQ-XQQFMLRXSA-N 239.359 2.663 30 20 BFED CC[C@H](C)C[C@@H](C)NC(=O)N(C)C[C@H](C)C#N 341244402 XJXMORCURXEEBG-QJPTWQEYSA-N 239.363 2.612 30 20 BFED C=CCOCCCN(C)Cc1ccoc1C 347962084 HUYUFAAXVOKQHM-UHFFFAOYSA-N 223.316 2.613 30 20 BFED C[C@H]1C[C@]1(C#N)c1nc(CC2=CCCCC2)no1 351149034 IZDOBIUXNDKILK-IINYFYTJSA-N 243.310 2.914 30 20 BFED C=C(C)CCN1CCC([C@@H]2CCCO2)CC1 352400689 FANKKJLCYNEUPT-AWEZNQCLSA-N 223.360 2.844 30 20 BFED CC[C@H](C)CCC(=O)N(C)[C@@H](C)CC#N 352575783 DCHLXXYZOBMJNN-QWRGUYRKSA-N 210.321 2.573 30 20 BFED N#CC[C@H](CC(=O)NCC1CC1)c1ccccc1 354125872 UHMIJJIAKJMMKP-CQSZACIVSA-N 242.322 2.600 30 20 BFED C=CCN(Cc1cc(F)ccc1OC)C1CC1 357557923 YYPUVUSFZZLFEI-UHFFFAOYSA-N 235.302 2.985 30 20 BFED C=C[C@H](C)NC(=O)c1cc(C)nc2ccccc12 362593931 ZHHNCHYBBZSTIE-JTQLQIEISA-N 240.306 2.848 30 20 BFED N#Cc1ccc(C(=O)N2CCC[C@@H]2C2CC2)cc1 363385449 ZDHZUFREUZFCID-CQSZACIVSA-N 240.306 2.573 30 20 BFED C=CCNc1cnn(-c2ccccc2F)c1C 375604766 HNHQGCNVPZHMKJ-UHFFFAOYSA-N 231.274 2.918 30 20 BFED C=CCCCN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 377683085 ZCOSNKDAKJYHIT-STQMWFEESA-N 223.360 2.842 30 20 BFED CC[C@@H](C)C(C)=NNc1nncc(N)c1Cl 381505697 DYGMLFFJKODRJS-ZCFIWIBFSA-N 241.726 2.546 30 20 BFED C[C@H]1CCc2ccccc2N1CCO[C@H](C)C#N 385431680 MXAXVMKSCLSTCP-QWHCGFSZSA-N 244.338 2.756 30 20 BFED C=CCCNC(=O)[C@@H]1CC2CCC1CC2 389994987 QAWDXPZXNIWVTB-HTAVTVPLSA-N 207.317 2.505 30 20 BFED C[C@H](CNc1cccc(C#N)n1)CC(F)(F)F 396950754 PYSXUXDMXQOWTC-QMMMGPOBSA-N 243.232 2.954 30 20 BFED CC#CCN(C)[C@H]1C[C@H]1c1cccc(F)c1 411767855 GKINCYKBLZCCOR-KBPBESRZSA-N 217.287 2.637 30 20 BFED C=CCCCCCN1CC[C@@H](c2n[nH]c(C)n2)C1 412047517 VETDUJUASYEWIK-CYBMUJFWSA-N 248.374 2.649 30 20 BFED CC(C)Oc1cc(NCC(C)(C)CC#N)ncn1 413402458 GANHEWAVEUTXJN-UHFFFAOYSA-N 248.330 2.616 30 20 BFED C=CCC[C@@H](NCC1(C)CCNCC1)C1CC1 423316369 ANTVNNFXEOXDAA-CQSZACIVSA-N 236.403 2.711 30 20 BFED COCC(C)(C)CN(CCC#N)CC(C)(C)C 426401105 NESUPXVNIMFZRF-UHFFFAOYSA-N 240.391 2.921 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)C1(CC(C)C)CC1 442312900 VTVNINGFKHCGCS-LBPRGKRZSA-N 236.359 2.821 30 20 BFED C=CCC[C@@H](CO)N[C@H](C)Cc1ccccc1C 449702341 YXQFXIDVLMUSTB-ZBFHGGJFSA-N 247.382 2.843 30 20 BFED C=CC(C)(C)C(=O)N=c1cc(CCC(C)C)[nH][nH]1 451096541 BLXMVKWUFZRVOL-UHFFFAOYSA-N 249.358 2.571 30 20 BFED C=CC(C)(C)CNC(=O)C1=CCCCC1 452786661 YKTMMSXIFABEFY-UHFFFAOYSA-N 207.317 2.815 30 20 BFED C=C(CC)CNC(=O)C(C)(C)C1CCC1 453019257 PUHLKDKPJBWZKW-UHFFFAOYSA-N 209.333 2.895 30 20 BFED C=CCCc1noc(-c2cccc(CC)n2)n1 453225365 VMVFGVCKXGSXBC-UHFFFAOYSA-N 229.283 2.813 30 20 BFED C=C[C@@H]1CCCCN1c1ccc(C#N)c(C)n1 487751064 GSJGFKYMRFJCLX-CYBMUJFWSA-N 227.311 2.807 30 20 BFED CC#CCCNC(=O)Cc1cccc(C)c1Cl 488823808 UQNMFCGNQMPOFY-UHFFFAOYSA-N 249.741 2.721 30 20 BFED C=CCn1cccc1C(=O)N1CCC(CC)CC1 488940598 JBUMXJVYASRCEP-UHFFFAOYSA-N 246.354 2.936 30 20 BFED C#C[C@H](NC(=O)/C=C1/CC[C@@H](C)C1)C(C)C 490638725 ZUOZSCJMOGSNRN-RGXVFGMQSA-N 219.328 2.507 30 20 BFED C#CCN(CC)C(=O)Cc1ccc(C)cc1Cl 490830490 MATHVZGJTPEYSN-UHFFFAOYSA-N 249.741 2.673 30 20 BFED C#C[C@@H](CC)NC(=O)Nc1ccccc1CC 491142295 CJYGZMBZSSQEKU-LBPRGKRZSA-N 230.311 2.782 30 20 BFED C#C[C@H](CC)NC(=O)[C@H]1CCC[C@H]1CCC 491404711 DOLDALWMXIWLQJ-UPJWGTAASA-N 221.344 2.731 30 20 BFED C#CCN(CC)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 491725377 IASQASKPWFJXED-UONOGXRCSA-N 248.370 2.620 30 20 BFED CC[C@](C)(C#N)NC(=O)C[C@H]1CCC[C@@H]1C 546711119 GYHZZOWCXPLUJI-DMDPSCGWSA-N 222.332 2.621 30 20 BFED C=CCN(C(=O)C1=CCOCC1)c1ccccc1 547783289 MUCPWOPLYKXOID-UHFFFAOYSA-N 243.306 2.552 30 20 BFED C=CCCC(=O)N[C@](C)(C#N)C1CCCCC1 555905307 UTPQBFGGTUDDLI-CQSZACIVSA-N 234.343 2.931 30 20 BFED Cc1cn(CCN(C)c2ccccc2)cc1C#N 575455807 ZVGMDSHCJMRDEA-UHFFFAOYSA-N 239.322 2.805 30 20 BFED N#Cc1ncccc1N1CC[C@H](C2CCC2)C1 591204521 YIYQTAWGWSEGAW-LBPRGKRZSA-N 227.311 2.580 30 20 BFED C=CCN1CCCC[C@@H]1CC(=O)OC(C)(C)C 593090486 DYNTZEBWHAXJCJ-GFCCVEGCSA-N 239.359 2.759 30 20 BFED C[C@@H]1CCC[C@@H](Nc2c(C#N)cnn2C)[C@@H]1C 596056628 ZFHMSUXLUMAAAY-CKYFFXLPSA-N 232.331 2.528 30 20 BFED CCc1ccc(F)cc1C(=O)N(C)C[C@@H](C)C#N 601011102 RYEDXALHGKRJLH-JTQLQIEISA-N 248.301 2.620 30 20 BFED CCCCc1cc(N(CC)CCC#N)ncn1 601124148 NUSZSRDSCSPYJL-UHFFFAOYSA-N 232.331 2.559 30 20 BFED COC(C)(C)C[C@H](C)NC[C@H](C)CCC#N 602555793 AFJGIGKWJYORAW-NEPJUHHUSA-N 226.364 2.719 30 20 BFED CC(=NN1CCOCC1)c1cc(C)c(C)cc1C 606442500 ZGGZCNNNYURRAF-UHFFFAOYSA-N 246.354 2.668 30 20 BFED CC[C@H](NC(=O)c1ccc(C#N)cn1)C(C)(C)C 609343503 MLMBKOQLEIWZBA-LBPRGKRZSA-N 245.326 2.508 30 20 BFED CCN(CCOc1ccccc1C#N)C1CCC1 610002029 VOPJCOORDLOEPK-UHFFFAOYSA-N 244.338 2.811 30 20 BFED C=CCCN(C)C(=O)c1cccc(OC)c1C 613842846 XWRKTIPMMYXHDQ-UHFFFAOYSA-N 233.311 2.652 30 20 BFED Cc1cc(=N[C@H]2CCc3cc(C#N)ccc32)cc[nH]1 618693709 NHMFVPZRWJAPCK-INIZCTEOSA-N 249.317 2.783 30 20 BFED C[C@H](CCC#N)CN(CC#N)C1CCCC1 618887994 LLJPENKERMVUCM-GFCCVEGCSA-N 219.332 2.694 30 20 BFED Cc1cccc([C@@H](C)C(=O)NCC2(C#N)CC2)c1 619545650 LSFPTSKXXAFCIO-GFCCVEGCSA-N 242.322 2.519 30 20 BFED C=CCn1c(C)nnc1SCC1=CCCC1 647114786 XCLYJGFSLKHRPU-UHFFFAOYSA-N 235.356 2.975 30 20 BFED C=CCCCCN(C)Cc1ccccn1 649893076 IXXJMRJZETYLPH-UHFFFAOYSA-N 204.317 2.870 30 20 BFED C=CCC[C@H](C)N[C@@H]1CCCN2CCCC[C@@H]12 655849275 RSZIGMLWPPMTCW-ZNMIVQPWSA-N 236.403 2.948 30 20 BFED C=CC[C@H]1CCCC[C@@H]1NCCCOC 657819125 VOKZCBHFDBQSAR-STQMWFEESA-N 211.349 2.747 30 20 BFED C=CC1CCN(C(=O)NCCC(C)(C)F)CC1 661749258 GTAXMERGXTYIEN-UHFFFAOYSA-N 242.338 2.732 30 20 BFED COCC#CCN(Cc1cccs1)C(C)C 677818573 RUPSWGNVKQMYPF-UHFFFAOYSA-N 237.368 2.608 30 20 BFED C=CCCOCCCCC(=O)NC1CC=CC1 678858366 WDUPETXPZOBRIV-UHFFFAOYSA-N 237.343 2.584 30 20 BFED C=CCN[C@H](CN1CCCCC1)c1ccccc1 679937955 LCACPKRSZMQVIY-MRXNPFEDSA-N 244.382 2.989 30 20 BFED CCC[C@H](CCO)CN[C@H](C)CC(C)(C)C#N 695842065 JZXOPDRBKQQXSH-CHWSQXEVSA-N 240.391 2.703 30 20 BFED Cc1ccc(C#N)c(NCc2cccnc2C)n1 707850776 NYTFXEFLAYRQMZ-UHFFFAOYSA-N 238.294 2.577 30 20 BFED C#CCCCCC(=O)N(C)C1CC(C)(C)C1 710274810 ARACWNKKUWRPFG-UHFFFAOYSA-N 221.344 2.827 30 20 BFED C=CCC[C@H](N[C@@H]1C[C@@H](C)C[C@@H](C)C1)C(=O)O 719372003 KYKUZJLVJROJOR-LOWDOPEQSA-N 239.359 2.820 30 20 BFED C=C(Cl)COC(=O)c1cc(C(C)=O)cs1 730353038 KBSYFWXDFJFEMT-UHFFFAOYSA-N 244.699 2.860 30 20 BFED C[C@H](ON=C1CCC1)C(=O)N(C)c1ccccc1 735489783 FMAFEIJBBBXQJD-NSHDSACASA-N 246.310 2.594 30 20 BFED C=CCCCOC(=O)Cc1ccc2c(c1)CCO2 735527694 KYPYTRAEVBFXNW-UHFFFAOYSA-N 246.306 2.673 30 20 BFED CCN(CC(F)(F)F)CC(F)(F)C(F)F 736619858 QEJQNROVTPOWLJ-UHFFFAOYSA-N 241.150 2.771 30 20 BFED FC(F)CNN=C1CCC[C@H](C2CC2)C1 740616824 UJLDVPYHNZWLHH-VIFPVBQESA-N 216.275 2.797 30 20 BFED CCCNN=C1CCCc2ccc(OC)cc21 741846700 CJNPGSWJHCTTAV-UHFFFAOYSA-N 232.327 2.735 30 20 BFED COCCON=C(C)c1ccc(F)c(Cl)c1 748788908 KUYNCABXHTVSNS-UHFFFAOYSA-N 245.681 2.866 30 20 BFED CC(C)CC[C@@H]1CCCC1=NN[C@@H](C)CO 749815029 FBEBMKRPMDBQOY-RYUDHWBXSA-N 226.364 2.549 30 20 BFED CON=C(C)c1ccc(-n2ccnc2C)cc1 751525914 HOZPLNRWAKZTFC-UHFFFAOYSA-N 229.283 2.551 30 20 BFED C#CCOC(=O)CCOc1ccccc1C(C)C 751826241 RIJHNZPQJCURSU-UHFFFAOYSA-N 246.306 2.755 30 20 BFED COc1ccc(CNN=C(C)CC2CC2)cc1 756834786 OXRRIDDJLHNGCT-UHFFFAOYSA-N 232.327 2.961 30 20 BFED C=C[C@H](C)NC(=O)/C=C\c1cccc(F)c1 757003288 AUBMTYMDZHNGLX-DMEOUFDRSA-N 219.259 2.530 30 20 BFED C=CCCCc1nc([C@]2(C)CCCO2)no1 763322782 NJMIEQJKINJAIC-LBPRGKRZSA-N 222.288 2.604 30 20 BFED C#C[C@H](C)OC(=O)/C=C/c1ccc2[nH]ccc2c1 765948805 OUSRFADJIAQDOA-ZRQQLDRUSA-N 239.274 2.746 30 20 BFED C#CCSCCNC[C@H]1C[C@H]1c1ccccc1 767378979 PHHNBZKDSVRYDO-CABCVRRESA-N 245.391 2.746 30 20 BFED CON=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 767477795 IXLDFOFGFMIOIC-UHFFFAOYSA-N 246.222 2.835 30 20 BFED C#C[C@H](N[C@@H]1CC(C)(C)C[C@@H]1C)[C@H]1CCCO1 774358385 DSWAJALACPELJG-IGQOVBAYSA-N 235.371 2.582 30 20 BFED N#Cc1ccccc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 774595628 FICXZXYGCPXIBX-HUBLWGQQSA-N 239.322 2.670 30 20 BFED N#Cc1ccccc1/C=C\C(=O)c1cscn1 776190601 AKXGPULJFFWYCB-WAYWQWQTSA-N 240.287 2.911 30 20 BFED N#Cc1ccc(COC(=O)C2[C@@H]3CCC[C@@H]23)cc1 776698804 FOUWAHULIIMGNH-CHWSQXEVSA-N 241.290 2.648 30 20 BFED C=CCCOC(=O)c1ccc(C(C)=O)cc1F 777202360 SJXFUAHCCOJWQZ-UHFFFAOYSA-N 236.242 2.761 30 20 BFED CCON=CCCc1ccc(OC)cc1C 777432314 OEZIUGHAWUFUCW-UHFFFAOYSA-N 221.300 2.959 30 20 BFED CCCc1cccc(C=NN[C@@H]2CCCOC2)c1 780260230 CLHJTSZLGPGAOJ-OAHLLOKOSA-N 246.354 2.742 30 20 BFED C[C@@H]1CCC(=NN[C@@H]2CCCOC2)[C@H](C)C1 780261852 PSCVCBKRIQGEOG-IJLUTSLNSA-N 224.348 2.567 30 20 BFED Cc1csc(C=NN[C@@H]2CCCC2(C)C)n1 782299490 GLIALOCHWOIJLA-SNVBAGLBSA-N 237.372 2.954 30 20 BFED C=C[C@@](C)(CCOC)C(=O)OCCCC 782444277 VPFKZVJMZSWMTK-LBPRGKRZSA-N 214.305 2.559 30 20 BFED CC(C)(C#N)CCCOC(=O)/C=C/c1ccc[nH]1 784850977 VIOOXLINHZTAQK-VOTSOKGWSA-N 246.310 2.901 30 20 BFED CC[C@@H]1C[C@H](C)CCC1=NN[C@@H]1CCOC1 788454525 ANKHBSYJGQUHRP-IJLUTSLNSA-N 224.348 2.567 30 20 BFED C#CCCCC(=O)OCCCC1CCOCC1 789546408 HGBIPAFRTOALHA-UHFFFAOYSA-N 238.327 2.540 30 20 BFED CC[C@@H](C)NN=C(C)c1ccc(N(C)C)cc1 790181479 DVKBHWLPNLGVNM-LLVKDONJSA-N 233.359 2.865 30 20 BFED C=CCCN[C@@H](C(C)C)[C@@H](O)c1ccccc1 794601773 FFBXFHKWLKUXDV-GJZGRUSLSA-N 233.355 2.910 30 20 BFED C#C[C@@H](NC(=O)[C@@H](C)C(CC)CC)C(C)C 799042194 QZLMYGZNSYSXRF-WCQYABFASA-N 223.360 2.833 30 20 BFED C#C[C@H](NC(=O)N1CCC[C@@H]1C1CC1)C(C)(C)C 808315484 GWYYSMGPHCLJDL-OLZOCXBDSA-N 248.370 2.618 30 20 BFED C#Cc1ccccc1CC(=O)N[C@H](C)CCC 809944185 TUJQDHWYCGKTJN-GFCCVEGCSA-N 229.323 2.515 30 20 BFED C(=NOCC1CC1)c1nccc2ccccc12 814245372 YOIICNPBNXQARL-UHFFFAOYSA-N 226.279 2.995 30 20 BFED C1CC([C@@H]2CCC2=NOC2CCOCC2)C1 814906212 KTSUKRSZSNZBDT-LBPRGKRZSA-N 223.316 2.748 30 20 BFED CC[C@H](C)CON=C1COc2ccccc21 814939596 WSFFNZVOEKWIBO-JTQLQIEISA-N 219.284 2.846 30 20 BFED C#C[C@H](C)N(C)Cc1ccc2ccccc2c1O 816593101 FEFRHFMNQMTSFS-LBPRGKRZSA-N 239.318 2.999 30 20 BFED CC#CCCOC(=O)c1cccc(F)c1C 817243996 SEFHOLCBPUZNEN-UHFFFAOYSA-N 220.243 2.704 30 20 BFED C#Cc1cccc(CN[C@H](C)C[C@@H]2CCOC2)c1 825226691 LGFITJVVSDVYCC-CJNGLKHVSA-N 243.350 2.573 30 20 BFED C=CCCCCOc1cc2c(cc1C=O)OCO2 829100220 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MGYHGGLPJMWJBU-YUMQZZPRSA-N 238.312 2.736 30 20 BFED CC1(C)C[C@]1(C#N)/N=C(/O)C1CCSCC1 330148098 JBRQFDWCLWSYPK-GFCCVEGCSA-N 238.356 2.778 30 20 BFED Cc1nc(N2C[C@H](C)S[C@H](C)C2)ccc1C#N 334248864 RKXPFJMDPNLPAT-AOOOYVTPSA-N 247.367 2.592 30 20 BFED C[C@H]1CCCC[C@@]1(C)NC(=O)c1c[nH]c(C#N)c1 334509698 CRJBLLIBKADBGY-IINYFYTJSA-N 245.326 2.585 30 20 BFED C=CCn1cccc1C(=O)N1CC(C)=C[C@H](C)C1 334595118 HOAKGWOJTLHBPU-LBPRGKRZSA-N 244.338 2.712 30 20 BFED CC1=C(C)C[C@@H](C(=O)N2CCC(C#N)CC2)CC1 335527631 IXXMPNMWYQVGHE-AWEZNQCLSA-N 246.354 2.885 30 20 BFED C=CC1CCN(c2ncc(C(F)F)cn2)CC1 335572348 GCYFAPCQYWEYOU-UHFFFAOYSA-N 239.269 2.817 30 20 BFED Cc1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)o1 335713385 QQSMLCHDHJUZJU-GFCCVEGCSA-N 246.310 2.742 30 20 BFED CC(C)CCC(=O)N1CCc2ccc(C#N)cc21 335932309 JWMATLYDQUJZJY-UHFFFAOYSA-N 242.322 2.884 30 20 BFED C=C(C)CN(C)C(=O)Nc1ccsc1 335966796 RWSFUZWAFMDJJD-UHFFFAOYSA-N 210.302 2.788 30 20 BFED Cc1ccc2sc(C(=O)N(C)CC#N)cc2c1 336365427 BRXCNIYKPIJUQV-UHFFFAOYSA-N 244.319 2.805 30 20 BFED C=C[C@H](C)NC(=O)Nc1cc(C#N)ccc1C 336585667 ZJVSNLYYSKBLRO-JTQLQIEISA-N 229.283 2.563 30 20 BFED C[C@H]1[C@@H](C)OCCN1CCCCC(C)(C)C#N 336707526 NLGJKONHFSLXMO-QWHCGFSZSA-N 238.375 2.816 30 20 BFED N#Cc1cc(=N[C@H](c2ccccc2)C2CC2)cc[nH]1 339969427 CFBCABWZNGPJEC-MRXNPFEDSA-N 249.317 2.938 30 20 BFED C=CC[C@H](C)N[C@@H](C)c1ccncc1F 340297920 HEURQGBLGOGMPO-UWVGGRQHSA-N 208.280 2.836 30 20 BFED C[C@H](NCc1cccc(C#N)c1)[C@@]1(C)CCCO1 340473106 IAHXMOHHXLSKCD-SWLSCSKDSA-N 244.338 2.605 30 20 BFED C=CC[C@H](CC)NC(=O)c1ccccc1[N+](=O)[O-] 341649621 JZMJGQOUFYNMHH-JTQLQIEISA-N 248.282 2.679 30 20 BFED C[C@H](CC1CC1)NCCc1cccc(C#N)c1 343521399 UUFNBVYYELPWSA-GFCCVEGCSA-N 228.339 2.879 30 20 BFED CC[C@H](O)CCCN[C@H](C)c1cccc(C#N)c1 344282154 ASQRUJLGDAFONU-DOMZBBRYSA-N 246.354 2.760 30 20 BFED C=CCCO[C@@H](C)C(=O)N1CC[C@](C)(CC)C1 344374399 SUSACLFVERICBA-JSGCOSHPSA-N 239.359 2.616 30 20 BFED C=CCN(CC=C)c1nnc(C(C)C)n1CC=C 351077893 XHLPXWIJYVGFPA-UHFFFAOYSA-N 246.358 2.766 30 20 BFED C[C@@H](NCCCC#N)c1ccc2n[nH]cc2c1 353286585 LTKVFUICIDDPEN-SNVBAGLBSA-N 228.299 2.517 30 20 BFED C=CC[C@H](C)[C@H](C)NC[C@]1(O)CCC[C@H]1C 354534317 BZUNCYXTROHGCW-RFQIPJPRSA-N 225.376 2.728 30 20 BFED C=CCCC1(C(=O)N2CCS[C@@H](C)C2)CC1 355675049 SKZBFHKSRGGPDX-NSHDSACASA-N 239.384 2.697 30 20 BFED C=C(CC)CN1CCC[C@H]1CN1CCCC1 358506294 JNTZUWDXKXYGRG-AWEZNQCLSA-N 222.376 2.513 30 20 BFED C=CC[C@@H](CC)NC(=O)NC1(C)CCCC1 358991065 LVWZVDSTTDAZLJ-LLVKDONJSA-N 224.348 2.973 30 20 BFED C[C@H]1CCC[C@@H](CC(=O)NCC(C)(C)C#N)C1 359632420 HWHRAXLUTXQPNW-NWDGAFQWSA-N 236.359 2.869 30 20 BFED CC#CCCNC(=O)NC[C@H]1CCC[C@@H](C)C1 361340505 FISIBRNWGADDJH-OLZOCXBDSA-N 236.359 2.525 30 20 BFED C=CCN(CCOC)Cc1ccc(OC)c(C)c1 361645778 TVDQAJNAZNFLSP-UHFFFAOYSA-N 249.354 2.638 30 20 BFED C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@@H]1C 361824518 DIDCYOOMRVSPKV-PHIMTYICSA-N 232.302 2.785 30 20 BFED C=C[C@@H](C)NC(=O)NCc1ccc(Cl)cc1 362381071 VCNDLGZIRCXKFS-SECBINFHSA-N 238.718 2.714 30 20 BFED C=CCOCC(=O)N[C@@H](CCCC)C1CCC1 362591933 LOSZDEXRZDJLPH-ZDUSSCGKSA-N 239.359 2.664 30 20 BFED CC(C)(CCC#N)CN1CCO[C@@H]2CCC[C@H]21 371413410 SANXJTNDUXXBED-CHWSQXEVSA-N 236.359 2.570 30 20 BFED CC[C@H](C#N)C(=O)N(C)[C@@H](C)c1ccccc1 383677884 YDIMWPOFVGBHFN-NWDGAFQWSA-N 230.311 2.756 30 20 BFED C#C[C@](C)(CC)NC(=O)Nc1cccc(C)c1 384190888 HBDUWPVUFWASMH-CQSZACIVSA-N 230.311 2.918 30 20 BFED C#C[C@](C)(CC)NC(=O)[C@H](C)c1ccccc1 384237664 ZQYYFGQIZDYVLB-IUODEOHRSA-N 229.323 2.708 30 20 BFED C=CCCC(=O)OC/C(Cl)=C\Cl 388425049 JYZCASKFPAQMPA-FNORWQNLSA-N 209.072 2.815 30 20 BFED CC[C@@H]1CCC[C@@H]1NC(=O)[C@](C)(C#N)CC 388672380 DNDUEVQMQUMWQQ-MDZLAQPJSA-N 222.332 2.621 30 20 BFED C=CC[C@H](CC)Nc1ccc(C(=O)OC)c(C)n1 393792136 HOLYZTSWDAZHFP-NSHDSACASA-N 248.326 2.943 30 20 BFED CCCOc1ccc(NCCO[C@@H](C)C#N)cc1 394140856 UWPGHCYGDOYXEK-LBPRGKRZSA-N 248.326 2.816 30 20 BFED Cc1cnccc1CCN1CCC(CC#N)CC1 397632817 GKPBIRLBYLAULD-UHFFFAOYSA-N 243.354 2.558 30 20 BFED CC[C@H]1CCC[C@@H](Nc2cncc(C#N)n2)C1 401269456 TZAAUTKSHNAEDE-WDEREUQCSA-N 230.315 2.729 30 20 BFED CCC[C@@H](C)NCc1ccc(C#N)c(F)c1 404156003 VWEHQOIJBBWMKZ-SNVBAGLBSA-N 220.291 2.976 30 20 BFED CC[C@@H](c1ccccc1)c1cc(C#N)ncn1 409436689 VHFBCMDSGHQQRL-ZDUSSCGKSA-N 223.279 2.890 30 20 BFED C=CCCC1(C(=O)NC[C@H](C)CCOC)CC1 412480266 DUGJKCUVWBMETA-GFCCVEGCSA-N 239.359 2.522 30 20 BFED C[C@H](O)CS[C@@H](C#N)C1CCCCC1 413021789 ZLSQSUGHLPGBQX-ONGXEEELSA-N 213.346 2.573 30 20 BFED CSCCCSc1ncc(C#N)cc1F 413325809 USGOKXHOSUGDSI-UHFFFAOYSA-N 242.344 2.938 30 20 BFED C=CCOCCCOc1cccc2c1OCC2 419093481 IDBDJBRGFQXAGA-UHFFFAOYSA-N 234.295 2.593 30 20 BFED C[C@H]1C[C@@H](O)CCN1CCCCC(C)(C)C#N 429169940 VQTVIPWGHKVEDS-STQMWFEESA-N 238.375 2.552 30 20 BFED Cc1ccc(C(=O)NCCCC#N)c2c1CCC2 450547026 LWNFOSKRCBERJS-UHFFFAOYSA-N 242.322 2.517 30 20 BFED CCC[C@@H](CC(C)C)C(=O)N1CC(C)(C#N)C1 451373370 IARRCJNXAYMBNP-LBPRGKRZSA-N 236.359 2.821 30 20 BFED C=C(C)CCNC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1 455328084 QOPQTFXNSQUWTK-XUXIUFHCSA-N 248.370 2.640 30 20 BFED C=CCOCC(=O)NC[C@H]1CCCC(C)(C)C1 456905228 IGMSYJPJLKHSFD-LBPRGKRZSA-N 239.359 2.522 30 20 BFED C=CC(C)(C)C(=O)NC[C@H]1CCOC(C)(C)C1 457195283 YSMZLSJJQHBHGM-NSHDSACASA-N 239.359 2.520 30 20 BFED C=CCCC(=O)N[C@@H](C1CCC1)C1CC1 457265746 ZFONSYVXEBHMOU-ZDUSSCGKSA-N 207.317 2.648 30 20 BFED CC(C)(CC#N)CNC(=O)C[C@@H]1C=CCCC1 457987154 AHSZISQOVIZUEG-GFCCVEGCSA-N 234.343 2.789 30 20 BFED C=CCN(CCC#N)c1nc2ccccc2o1 488526829 QRACLYPGORNCTQ-UHFFFAOYSA-N 227.267 2.734 30 20 BFED C#CC(C)(C)N(C)Cc1cccc(COC)c1 491126117 KWYHNPQQEUBRDT-UHFFFAOYSA-N 231.339 2.677 30 20 BFED C#C[C@H](C)N(C)Cc1ccc(SC)cc1 491628513 KSSLCHKFVYGMPK-NSHDSACASA-N 219.353 2.862 30 20 BFED COC(C)(C)CN(C)[C@H](C)c1cccc(C#N)c1 526942306 HPWAJMVSHGNVNE-GFCCVEGCSA-N 246.354 2.976 30 20 BFED C=CCCC[C@@H](C)NC(=O)N1CCC1(C)C 539469808 AMRASIUMFWDGME-LLVKDONJSA-N 224.348 2.925 30 20 BFED CC(C)(C)CCCC(=O)NC(C)(C)C#N 542829651 RAYRBQYCKWIAFJ-UHFFFAOYSA-N 210.321 2.621 30 20 BFED C=C(C)CNC(=O)N[C@@H](C)Cc1ccsc1 548611047 AYHFQISQZJAZMP-JTQLQIEISA-N 238.356 2.554 30 20 BFED C[C@H](C#N)CNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 560495935 YHLQIHYBUVOLAA-XJFOESAGSA-N 248.370 2.869 30 20 BFED C=CC1CCN(c2nnc(CC)n2C(C)C)CC1 562799903 QHQBMHNSMOCQQR-UHFFFAOYSA-N 248.374 2.824 30 20 BFED C=CCCCCCN(C)C(=O)CCC(C)(C)O 578833489 FUCRNFFOIKOTHS-UHFFFAOYSA-N 241.375 2.742 30 20 BFED C=CCC1(C(=O)N2CCC2(C)C)CCC1 579096940 AVEQHKRBHMSSGG-UHFFFAOYSA-N 207.317 2.744 30 20 BFED CC[C@H](CC#N)N[C@H]1C[C@H]1c1cccc(F)c1 580208496 DVHKPXGUXFNGIJ-RDBSUJKOSA-N 232.302 2.963 30 20 BFED N#CCc1ccc(NC(=O)[C@@]23CCC[C@H]2C3)cc1 582174984 MQRXQIIYFMAZMZ-SWLSCSKDSA-N 240.306 2.881 30 20 BFED CC1(C#N)CN(CC(C)(C)c2ccccc2)C1 590967900 SFIXALQQAXWYJU-UHFFFAOYSA-N 228.339 2.810 30 20 BFED CC(C)(C)C[C@@H]1C[C@H]1NC(=O)CC(C)(C)C#N 593254780 NTRORZBMAFTPQV-WDEREUQCSA-N 236.359 2.867 30 20 BFED CC[C@@H](C#N)C(=O)NC1CC(c2ccccc2)C1 593450308 LHPXONFWPDRBGH-XGNXJENSSA-N 242.322 2.599 30 20 BFED N#CCC(=O)Nc1ccccc1NC1CCC1 593812847 INADKESHBNNYEF-UHFFFAOYSA-N 229.283 2.503 30 20 BFED N#C[C@@H]1CC[C@H](NCCCC2CCC2)C1 595081631 TXDAYZPHZNVCTP-OLZOCXBDSA-N 206.333 2.849 30 20 BFED CC(C)(C#N)CCCN1CC[C@H]2C[C@H]2C1 595809659 UPKAFZVQCHOMEF-RYUDHWBXSA-N 206.333 2.658 30 20 BFED CC[C@@H](CC#N)Nc1cc(C(C)(C)C)ncn1 596197244 LWLKRMUFQIXLDL-JTQLQIEISA-N 232.331 2.878 30 20 BFED Cc1ccnc(NCC2=CCCC2)c1C#N 596517570 MPQPBUQBCVISMQ-UHFFFAOYSA-N 213.284 2.784 30 20 BFED C[C@@H](CC#N)N(C)c1nc2cccc(F)c2o1 599053740 IERJWFUREQBKOT-QMMMGPOBSA-N 233.246 2.705 30 20 BFED CN(Cc1cccc(C#N)n1)CC1CCCC1 602456846 ZGUJCVBUWGGECC-UHFFFAOYSA-N 229.327 2.575 30 20 BFED C=CCCSCCN[C@@H]1CS[C@H](C)C1 602707625 CVXRHIZEMBWYCX-MNOVXSKESA-N 231.430 2.779 30 20 BFED C=CCCOCC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C 603145999 WWTXCMCFUAFAND-YNEHKIRRSA-N 239.359 2.520 30 20 BFED CC(C)C[C@@H](C)CC(=O)N1CC[C@@](F)(C#N)C1 615595744 SMBAMXMNLTWYBO-DGCLKSJQSA-N 240.322 2.523 30 20 BFED C[C@@H](CC(=O)NCC1(C#N)CC1)CC(C)(C)C 619545367 WRDMYRBZCQICQO-NSHDSACASA-N 236.359 2.869 30 20 BFED C=CC(C)(C)C(=O)NCc1cc(C(C)C)no1 648932688 GEERIOXPGHTYBN-UHFFFAOYSA-N 236.315 2.626 30 20 BFED C=CCCNC(=O)N1C[C@H](C)[C@H]1c1ccccc1 661570205 CNAJMMHDDZCZLW-JSGCOSHPSA-N 244.338 2.965 30 20 BFED C=CCOc1ccccc1C(=O)N1CC(C)(C)C1 684086779 LUGJEYZFYDVGIH-UHFFFAOYSA-N 245.322 2.733 30 20 BFED CC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)o1 692962537 PRBXAHSOHASEAB-FGWVZKOKSA-N 244.294 2.554 30 20 BFED C[C@H](CC(C)(C)C#N)NCC1(O)CCCCC1 695838255 VEIKTRFSWXMUKB-GFCCVEGCSA-N 238.375 2.600 30 20 BFED C[C@@H](CC(C)(C)C#N)NCC(C)(C)C[C@@H](C)O 695873679 UAWQAZGPJLBXII-NWDGAFQWSA-N 240.391 2.701 30 20 BFED C#C[C@H](CC)NC(=O)[C@]1(C)CC[C@H](C)C1(C)C 698997836 QTRLCODQHIDGCB-ZOWXZIJZSA-N 235.371 2.977 30 20 BFED CC[C@H](CC#N)NC(=O)C12CCC(CC1)CC2 710069379 FTJHPIGIUJNDLO-MBHSVXNSSA-N 234.343 2.765 30 20 BFED C#C[C@@H](NC(=O)CCC(C)(F)F)C(C)(C)C 714125711 MVDDGTQQUCPPLM-SECBINFHSA-N 231.286 2.586 30 20 BFED CCCCNN=C(C)c1ccc(O)c(F)c1 728429875 RLJZSOAMSGOZDZ-UHFFFAOYSA-N 224.279 2.645 30 20 BFED CCCCCC(C)=NNc1cccnn1 735973699 QXZKACNQONWGTN-UHFFFAOYSA-N 206.293 2.845 30 20 BFED CCC(=NNc1ccc(C#N)cc1)[C@H]1CCOC1 741847540 MVKOSTJLEQBAAA-LBPRGKRZSA-N 243.310 2.773 30 20 BFED CO[C@]1(C)CC(=NOCC(F)(F)F)C1(C)C 746578802 QEMRIWVPQSENOS-SECBINFHSA-N 239.237 2.756 30 20 BFED CCCCCOC(=O)c1ccc(C#N)s1 750397239 LKBBNEDCOXJVFZ-UHFFFAOYSA-N 223.297 2.967 30 20 BFED Clc1cccc2c1CCC2=NNC1CC1 758134447 ZMHQFUBOZADGTC-UHFFFAOYSA-N 220.703 2.742 30 20 BFED CCCCC(C)=NNc1ccc(C(=O)OC)cn1 758139963 NKIVFWSZVKJOPY-UHFFFAOYSA-N 249.314 2.846 30 20 BFED C#CCCN1C[C@@H](C)Oc2ccc(Cl)cc21 760842476 ZHWMQBPUAPYQDB-SNVBAGLBSA-N 235.714 2.951 30 20 BFED COc1nccnc1NN=C1CC[C@@H](C)C[C@@H]1C 763406912 RIAYGVCLXFDAQA-ZJUUUORDSA-N 248.330 2.709 30 20 BFED COc1nccnc1NN=C[C@@H]1CCC[C@@H](C)C1 763407747 GUDILFUDTJSPLO-GHMZBOCLSA-N 248.330 2.709 30 20 BFED C=C(Cl)CN(CCC)CCN(CC)CC 763932634 QDIBQSIEZADCBK-UHFFFAOYSA-N 232.799 2.793 30 20 BFED CC(C)(C)[C@@](C)(C#N)NC(=O)C=C1CCCC1 766585773 WUGPKQXGUPEXJQ-CQSZACIVSA-N 234.343 2.931 30 20 BFED C=CCN(CC=C)C(=S)NC(C)(C)CC 774138795 QGHMITKWOVPZAH-UHFFFAOYSA-N 226.389 2.724 30 20 BFED C=CCCOC(=O)c1cc(C(C)=O)c(C)nc1C 777102067 YXEFXENRCGGSET-UHFFFAOYSA-N 247.294 2.634 30 20 BFED COc1ccc(C=NNc2ccccc2F)cn1 780211112 ZCJRGUSTPMKOAK-UHFFFAOYSA-N 245.257 2.675 30 20 BFED CC(=NN[C@@H]1CCCOC1)C1CCCCC1 780262902 WMDBEEBJRKJYKP-CYBMUJFWSA-N 224.348 2.711 30 20 BFED C[C@H]1CCCC(=NNc2ncccn2)[C@H]1C 781123970 QKQKDDREPDXOGK-UWVGGRQHSA-N 218.304 2.701 30 20 BFED C=CCNC(=S)N1C[C@H](C)[C@@H]2CCCC[C@H]21 782207103 OXGDQQIFTIAVLX-SDDRHHMPSA-N 238.400 2.557 30 20 BFED CC(=NN[C@@H]1CCCC1(C)C)c1cn(C)nc1C 782285575 BJRYHROSYIOHRI-CYBMUJFWSA-N 248.374 2.621 30 20 BFED Cc1ccc(NN=C2CCC(C)(C)C2)nn1 783841214 HLDJGMOXXWXMGC-UHFFFAOYSA-N 218.304 2.763 30 20 BFED C[C@H]1CCCC[C@H]1C=NNCC(F)F 783846432 PWWQETROKKSHLE-IUCAKERBSA-N 204.264 2.653 30 20 BFED Cc1cc(C=NOC2CCCC2)sn1 785461847 PQCLKALXJZLQGF-UHFFFAOYSA-N 210.302 2.745 30 20 BFED CC[C@@H](C)CON=C(C)c1ccccn1 793147121 YVIQIQULPVYFRE-SNVBAGLBSA-N 206.289 2.868 30 20 BFED C=CCCCCC[C@@H](C)NC[C@H]1COCCO1 793525391 VHIOKCPWCBSHRP-KGLIPLIRSA-N 241.375 2.516 30 20 BFED C=CCN(CC=C)C(=O)CCCOC(C)(C)C 794603431 BFKWIQUUUIGWHC-UHFFFAOYSA-N 239.359 2.782 30 20 BFED Cc1ccc(C(=O)/C=C/c2c(C)cnn2C)s1 794700703 XSSAIVUOUZENGS-AATRIKPKSA-N 246.335 2.995 30 20 BFED C[C@H]1CSCC1=NN[C@@H]1C[C@H]2CC[C@H]1C2 794921686 JRPVMADPERQAIJ-XWLWVQCSSA-N 224.373 2.504 30 20 BFED CC(=NNc1ncccc1F)c1ccoc1 794985999 XFYDAYSZUPLKFL-UHFFFAOYSA-N 219.219 2.650 30 20 BFED C=CCNN=Cc1ccc(OCC(C)C)cc1 795004178 WFBLNXQIHHGLGI-UHFFFAOYSA-N 232.327 2.831 30 20 BFED Fc1cccc(NN=Cc2cccs2)n1 795008936 UEAJUXXDHKESEB-UHFFFAOYSA-N 221.260 2.728 30 20 BFED CC(=NN=C[C@@H](C)C(C)(C)C)c1cnccn1 800814368 UHWKRIVAJYHCCB-SNVBAGLBSA-N 232.331 2.954 30 20 BFED C#C[C@H](NC(=O)/C=C/c1ccsc1)C(C)(C)C 807883423 AKWJNLVMGZPDQS-SYTKJHMZSA-N 247.363 2.925 30 20 BFED C#C[C@@H](NC(=O)CC[C@H](C)CC)C(C)(C)C 807884591 QEBCZGKAKHVMCH-VXGBXAGGSA-N 223.360 2.977 30 20 BFED C#Cc1ccc(CN2CCC=C(C)C2)cc1 809659200 AEMCKRZUDKJCSP-UHFFFAOYSA-N 211.308 2.820 30 20 BFED CN(C)[C@@H]1CCCC(=NOC/C=C\Cl)C1 811669331 NWVHMALACBQZMG-QXPXGRDTSA-N 230.739 2.616 30 20 BFED COCC[C@H]1CCCC1=NOC/C=C/Cl 811669557 QOSGJLPDXNUPMP-YQSDIWNMSA-N 231.723 2.948 30 20 BFED CO[C@H]1CCCC(=NOC/C=C/Cl)C1 811669592 QWYIJPODAHFPQO-XROOSOGDSA-N 217.696 2.701 30 20 BFED C=CCN(CCC#N)C(=O)[C@@H](C)c1ccc(C)o1 814137096 KWBDZKSVKZYMAH-LBPRGKRZSA-N 246.310 2.620 30 20 BFED COc1cccc(C=NOCCC2CC2)c1 814245822 JNJLDYXHLYHELC-UHFFFAOYSA-N 219.284 2.846 30 20 BFED CCOCCON=C1CC(c2ccccc2)C1 814907498 MCIWLUMNMLWLJF-UHFFFAOYSA-N 233.311 2.973 30 20 BFED CC(C)=CCC[C@H](C)CC=NNC[C@@H](C)O 814965679 CKNSEHNIIZFYRD-QWHCGFSZSA-N 226.364 2.715 30 20 BFED CC(C)=C(C)C(=O)N1CCc2c(C#N)cccc21 817470382 WPCBVMUTKDIKLN-UHFFFAOYSA-N 240.306 2.804 30 20 BFED C#Cc1cnc(NC[C@@H]2CCc3ccccc32)nc1 827606280 IYAYENLLWPUYFV-AWEZNQCLSA-N 249.317 2.600 30 20 BFED C=C[C@@H](O)C(=O)N(C)c1ccc(CCCC)cc1 829589531 JKLMBYYYWKBFMI-CQSZACIVSA-N 247.338 2.539 30 20 BFED CC[C@@H](C)[C@H](C=NNc1ccc(C)cn1)OC 834953983 HUVNGMAIPUZMAH-NEPJUHHUSA-N 235.331 2.849 30 20 BFED CC(=NNc1ccnc(F)c1)[C@H]1C[C@H]2CC[C@H]1O2 834974333 ZXDPRZMSKQKTAR-IJLUTSLNSA-N 249.289 2.576 30 20 BFED CC(C)CC[C@H]1CCC(=NNc2nc[nH]n2)C1 834980191 UANDUXGFYMSREY-JTQLQIEISA-N 235.335 2.809 30 20 BFED CC(=NN[C@H]1CCOC1(C)C)c1ccccc1C 835014487 SLSYHUYKDRGUQS-AWEZNQCLSA-N 246.354 2.876 30 20 BFED CC1CCC(=NN[C@@H]2CCOC2(C)C)CC1 835016224 WZUFUYBPZMHRIN-TVKKRMFBSA-N 224.348 2.710 30 20 BFED C=CCC1(C(=O)OCC2(C)COC2)CCCC1 835101651 SHNHSKOYPRTJLW-UHFFFAOYSA-N 238.327 2.703 30 20 BFED Cc1ccc(C(=O)O[C@@H](C)CC#N)c2c1CCC2 835160311 YXHHZIBMRBLOTJ-NSHDSACASA-N 243.306 2.943 30 20 BFED C=CCOCCOC(=O)[C@@]1(C)CCC[C@H]1C 835454531 IAZBXDCPLIEGPH-YPMHNXCESA-N 226.316 2.559 30 20 BFED C=CCONC(=O)N[C@H]1CCC[C@@H]1CCCC 838707441 LBDPLDRAVCXCOQ-RYUDHWBXSA-N 240.347 2.762 30 20 BFED N#C[C@H]1CCC[C@H](OC(=O)C2CC(F)(F)C2)C1 839050912 CNHRMXZIJHIROL-WPRPVWTQSA-N 243.253 2.657 30 20 BFED COc1ccc(CC(C)=NNC2CCCC2)cn1 841627590 VWPAGRYYHMRRDY-UHFFFAOYSA-N 247.342 2.541 30 20 BFED CC[C@H]1CCC[C@H](C=NN(C)C(=S)NC)C1 841645978 KZEGISBOSBYAKK-QWRGUYRKSA-N 241.404 2.625 30 20 BFED C=C[C@H](C)ON=C1CCO[C@H](C(F)(F)F)C1 844620076 HHWYPZLQOFZLER-CBAPKCEASA-N 237.221 2.675 30 20 BFED C/N=C(/NCC[C@H](C)c1ccccc1)NC1CC1 848999148 XICKOTIIORGTFE-LBPRGKRZSA-N 245.370 2.508 30 20 BFED CCOCCCC(=O)O[C@H](C)CC(C)(C)C#N 851212536 TVRGLWHWGQQRTD-LLVKDONJSA-N 241.331 2.675 30 20 BFED C=CCCNC(=O)N1CCc2c(C)cccc2C1 852486695 CNZQIMHFUHEFIA-UHFFFAOYSA-N 244.338 2.639 30 20 BFED Cc1cc(C)cc(CC(=O)O[C@@H](C)CC#N)c1 853106916 LHUZIBYFUGZMLM-LBPRGKRZSA-N 231.295 2.691 30 20 BFED C(=NOCc1cccnc1)C1CCSCC1 853323377 WDLKRBODQFACFR-UHFFFAOYSA-N 236.340 2.727 30 20 BFED COc1cncc(C=NNCC2(C)CCCC2)c1 853348272 FPSYBXGOESUDEG-UHFFFAOYSA-N 247.342 2.594 30 20 BFED CC1CC(C/N=C/c2ccccc2O)C1 856719706 WDFPQNHPPYKLRO-NTEUORMPSA-N 203.285 2.857 30 20 BFED CCC(C#N)(CC)C(=O)OCC1(CC#N)CC1 860198915 GQVOHHGIGWTJNC-UHFFFAOYSA-N 234.299 2.553 30 20 BFED CCC(C#N)(CC)C(=O)O[C@@H](C)[C@@H](C)SC 860730685 JKXCBHLXQOGBME-VHSXEESVSA-N 243.372 3.000 30 20 BFED Clc1ccc(NN=C[C@@H]2C[C@H]3C=C[C@H]2C3)nn1 864382886 OWCDNWKUHQNPHA-GUBZILKMSA-N 248.717 2.740 30 20 BFED N#Cc1cccc(Br)c1NC1CC1 865400934 DPPNCJXDZAYGTK-UHFFFAOYSA-N 237.100 2.895 30 20 BFED CCOC(C)(C)C(=O)OCCCC(C)(C)C#N 869768424 HRBRXCHSASDDMO-UHFFFAOYSA-N 241.331 2.675 30 20 BFED C=CC(C)(C)CC(=O)NCCOCCC(C)C 878487003 MSIOYQWUBVTMHM-UHFFFAOYSA-N 241.375 2.768 30 20 BFED C#CC[C@H](CO)N[C@H]1CC[C@H](CCC(C)C)C1 883124716 NSNNWMNQMZZWFH-SOUVJXGZSA-N 237.387 2.565 30 20 BFED C=C(CC)Cn1cc(-c2nc(C)sc2C)nn1 887339568 QYDAXWRMIJTRJK-UHFFFAOYSA-N 248.355 2.985 30 20 BFED Cc1nc(CNCC2(C#N)CCC2)sc1C 894966772 NWTDHMCZVHZJGS-UHFFFAOYSA-N 235.356 2.543 30 20 BFED CC#CCN(C)Cc1c[nH]nc1-c1ccccc1 897166473 OQSOHPRZYBEGOV-UHFFFAOYSA-N 239.322 2.532 30 20 BFED C#CCN(C(=S)Nc1cccc(F)c1)C1CC1 899507350 WCCGRXPHPCQQJJ-UHFFFAOYSA-N 248.326 2.620 30 20 BFED C=C1CCC(C(=O)Nc2cccc(CO)c2)CC1 899967219 CKIUUUYQSVRKPU-UHFFFAOYSA-N 245.322 2.864 30 20 BFED CCC1(CC)[C@H](NCC(C)(C)C#N)C[C@H]1OC 903099947 DDBZMUIGURMYAK-VXGBXAGGSA-N 238.375 2.719 30 20 BFED C=CCCC[C@H](N)c1nc([C@H]2C[C@H]2C)no1 904613839 AULYHJRDEKLPQR-UTLUCORTSA-N 221.304 2.549 30 20 BFED C=CC[C@@H](CC)NC[C@@H](O)c1cccc(C)c1 905243512 JPFWFUYRJGBFRG-HUUCEWRRSA-N 233.355 2.973 30 20 BFED C#CCN(C(=O)N[C@H]1CCC[C@H](C)C1)C(C)C 914199654 NIQAPIXSFMZVIG-STQMWFEESA-N 236.359 2.618 30 20 BFED CCCCCCCC(=O)N(CC)CCOC 914500960 FHTGLYRIMPAVDR-UHFFFAOYSA-N 229.364 2.842 30 20 BFED Cc1cc(C)c(C=Nn2c(C)nnc2C)cc1C 916350163 COPUIZSHAJIELL-UHFFFAOYSA-N 242.326 2.702 30 20 BFED N#Cc1ccc(NC(=O)N2CCC(F)CC2)cc1 917032633 MBZBVALJPAEVLW-UHFFFAOYSA-N 247.273 2.524 30 20 BFED C#CCN(CC)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 919876409 LTAIZCXUBPKGEH-CHWSQXEVSA-N 233.355 2.707 30 20 BFED CC#CCOC(=O)[C@H](C)c1ccccc1C 923915107 YXXHSBICNQOVQV-GFCCVEGCSA-N 216.280 2.665 30 20 BFED CSCC(C)(C)NCc1ccc(C#N)s1 934671018 USMNNTPDDXSDDV-UHFFFAOYSA-N 240.397 2.851 30 20 BFED C=C[C@H](CC)CC(=O)N1CC[C@@H](OC)C[C@@H]1C 935824745 QFNZHHUNYBYGNF-YNEHKIRRSA-N 239.359 2.615 30 20 BFED CC(C)(C)ON=Cc1ccc(O)c(F)c1 1116404893 QEPCPYRXRXCLRD-UHFFFAOYSA-N 211.236 2.680 30 20 BFED C=CCCc1nnc(-c2ccc(Cl)nc2)o1 1117253115 CHGJWSMYVGIRFE-UHFFFAOYSA-N 235.674 2.904 30 20 BFED C=C[C@@H](CC)OC(=O)c1nn(C)c2ccccc12 1122735836 OJPAZEKYZNRYCY-JTQLQIEISA-N 244.294 2.695 30 20 BFED C=C(CC)C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 1123500829 GHHRPGTXVDFHAJ-JQWIXIFHSA-N 233.311 2.985 30 20 BFED C=C(CC)C(=O)Nc1cnc(C(C)C)nc1 1123872555 ZFRSJNVINKLIHI-UHFFFAOYSA-N 219.288 2.505 30 20 BFED Cn1cnc(CSc2ccccc2C#N)c1 1188789773 XTSRVHKVBPCCLL-UHFFFAOYSA-N 229.308 2.584 30 20 BFED C#CCCOC(=O)CSCc1cccs1 1256638996 MCHXEUPIBDZWMX-UHFFFAOYSA-N 240.349 2.548 30 20 BFED C=C(C)CCC(=O)NC[C@H](O)c1ccc(C)cc1 1262620909 SSYRPDHXJTUXKL-AWEZNQCLSA-N 247.338 2.501 30 20 BFED N#Cc1cccc(N[C@@H]2C[C@H]2c2ccco2)n1 1307140589 ONXCUDZTSZBLQR-GHMZBOCLSA-N 225.251 2.514 30 20 BFED C1CCCC(=NNCC2CCOCC2)CC1 1318642287 SXHLUFHOYZWSBE-UHFFFAOYSA-N 224.348 2.713 30 20 BFED N#CCc1cccc(N2CCc3ccccc3C2)n1 1322617742 OGEQGFXTLUPQMY-UHFFFAOYSA-N 249.317 2.710 30 20 BFED N#CCCNC(=O)CC(C1CCC1)C1CCC1 1328952479 PKKBTVAHCSFQRS-UHFFFAOYSA-N 234.343 2.623 30 20 BFED O=C(C#CC1CC1)Nc1ccc2ncccc2c1 1335299005 GJXRUTJIOHPSCB-UHFFFAOYSA-N 236.274 2.587 30 20 BFED C=C(C)CCC(=O)N1CCc2c(O)cccc2C1 1337324793 PLJBLUBQLFRXPD-UHFFFAOYSA-N 245.322 2.633 30 20 BFED N#Cc1ccc(F)c(NC(=O)CC2CCC2)c1 1337892741 FFIHIWCMVZQOGI-UHFFFAOYSA-N 232.258 2.826 30 20 BFED C=CCC[C@H](NCc1ccc(C)cc1)C(=O)O 1339011569 RTSYLSYMDPFLCO-ZDUSSCGKSA-N 233.311 2.504 30 20 BFED C#CC[C@H](C)OC(=O)c1ncccc1SCC 1343369343 SRWJMUXBOVVSPK-JTQLQIEISA-N 249.335 2.762 30 20 BFED C=C(C)CCC(=O)OCC1(C#N)CCC1 1344340231 OAAVRYVBCSCKNO-UHFFFAOYSA-N 207.273 2.580 30 20 BFED CCN(CCC#N)C(=O)c1cc2c(o1)CCCC2 1346304935 IGFZVTSTMGHKAH-UHFFFAOYSA-N 246.310 2.534 30 20 BFED Cc1nnn(N=CC2CCCCCC2)c1C 1349830224 WQAVDUUWUNJHDH-UHFFFAOYSA-N 220.320 2.699 30 20 BFED C=C(C)[C@H](C)OC(=O)[C@H]1CCOC(C)(C)C1 1358496221 BVIYITBPMRQCAM-QWRGUYRKSA-N 226.316 2.699 30 20 BFED CC(C)[C@@H]1CCCCCN1CCO[C@H](C)C#N 1473319461 UPCCNSKJWOXNFB-KGLIPLIRSA-N 238.375 2.816 30 20 BFED C=C(CC)C(=O)Nc1ccnn1C1CCCC1 1527640104 KAUBZSNYCRXKIU-UHFFFAOYSA-N 233.315 2.903 30 20 BFED C=C[C@H](Nc1cccc(COC(C)C)c1)C(=O)O 1609272059 HKTUZFKJERMVMV-ZDUSSCGKSA-N 249.310 2.663 30 20 BFED COc1cc(OCC2CC(C)C2)ccc1C#N 1651953592 NETOLDFWRKVJPT-UHFFFAOYSA-N 231.295 2.992 30 20 BFED C=CCC[C@H](C)N1CC[C@H](CCC(=O)O)C1 1776166030 MYIRNWBPTNQKCD-RYUDHWBXSA-N 225.332 2.528 30 20 BFED Cc1cc(C)nc(NN=C2CCCCC2)n1 6672176 QFFLFBUPLFBNIO-UHFFFAOYSA-N 218.304 2.825 30 20 BFED C=CCNc1nc(-c2ccc(O)c(O)c2)cs1 22459450 FDURVFJSBANKKY-UHFFFAOYSA-N 248.307 2.819 30 20 BFED CC(C)CN(C)CCOc1ccc(C#N)cc1 34674602 STECCGISUBCPGL-UHFFFAOYSA-N 232.327 2.525 30 20 BFED CCN(C/C=C/c1ccccc1)CCC#N 42454473 VAVYNBMTPGUALY-UXBLZVDNSA-N 214.312 2.935 30 20 BFED C[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)s1 44825088 VLLULFGHFCPIJK-NKWVEPMBSA-N 242.731 2.738 30 20 BFED Cc1ccc(C#N)cc1NCc1ccccn1 50429579 WBAZNIXNCJHGGF-UHFFFAOYSA-N 223.279 2.874 30 20 BFED Cc1ccc(O[C@H](C)C(=O)OCCCC#N)cc1 58817687 CGUOZJODAIPJSY-GFCCVEGCSA-N 247.294 2.609 30 20 BFED C=CCOC(=O)c1ccc(N2CCC(C)=N2)cc1 61259508 JSHLWTNOYGSGGR-UHFFFAOYSA-N 244.294 2.615 30 20 BFED C[C@H](Nc1ccnc(C#N)c1)c1ccc(C#N)cc1 61811738 XLEPEMKXBZUEQR-NSHDSACASA-N 248.289 2.998 30 20 BFED Cc1ncc(C(=O)Nc2cccc(C#N)c2)s1 63451416 GAEZWVWAZYEAJL-UHFFFAOYSA-N 243.291 2.576 30 20 BFED C[C@H]1CCC[C@@H]1NCc1ccccc1C#N 70830715 BOTNOMUIDIRQMN-FZMZJTMJSA-N 214.312 2.836 30 20 BFED C=CCNC(=O)Nc1cccc(N2CCCC2)c1 72019952 SEXDHLHEEWGQIA-UHFFFAOYSA-N 245.326 2.594 30 20 BFED COc1ccc2c(c1)N(CCCCC#N)CCO2 75955374 CPKJQZUASYMTFH-UHFFFAOYSA-N 246.310 2.588 30 20 BFED CC[C@@H](C#N)C(=O)N1CCC[C@@H](CC)CC1 79342968 QKVLGHCBIPDSOE-NEPJUHHUSA-N 222.332 2.575 30 20 BFED C[C@H](Cc1cccs1)NCC1(CC#N)CC1 83854306 OYQOTDFIAMJMKH-LLVKDONJSA-N 234.368 2.963 30 20 BFED C=CCCCN1CCNCC12CCCCC2 83878172 ZTOLJFOISZZSDH-UHFFFAOYSA-N 222.376 2.561 30 20 BFED C[C@@H](CCO)SCc1ccc(F)cc1C#N 85146840 ULDJDUGZJQICBF-VIFPVBQESA-N 239.315 2.701 30 20 BFED Cc1oc(C)c(C(=O)N(C)[C@@H](C)CC#N)c1C 87199007 KAPKHVMWRLIGMN-QMMMGPOBSA-N 234.299 2.579 30 20 BFED CCCN(CC)c1ccc(C#N)c([N+](=O)[O-])c1 94592830 RNCMWHHWRSGHLM-UHFFFAOYSA-N 233.271 2.703 30 20 BFED CC[C@H](C)CN(C)c1ccc([N+](=O)[O-])cc1C#N 96474925 RBAUPQBNISRJME-JTQLQIEISA-N 247.298 2.949 30 20 BFED C=CCOC(=O)CCC(=O)c1ccc(C)s1 96998866 PZHNUIMRNYOYQM-UHFFFAOYSA-N 238.308 2.749 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccc(SC)o1 116860636 NTMUGXHGENXMQT-MRVPVSSYSA-N 225.313 2.696 30 20 BFED CC[C@@H](NCc1cccc(C#N)c1)[C@@H]1CCCO1 119746802 FMUQISIICWASNK-CABCVRRESA-N 244.338 2.605 30 20 BFED CC[C@H](NCc1cccc(C#N)c1)[C@H]1CCCO1 119746898 FMUQISIICWASNK-LSDHHAIUSA-N 244.338 2.605 30 20 BFED C=CCC[C@@H](NCC(C)(C)CN(C)C)C1CC1 119782368 OQHDQOKWLOQTOU-CQSZACIVSA-N 238.419 2.909 30 20 BFED CC#CCN1CCSC[C@@H]1c1ccccc1 121044790 DZEAIHOWPDJTSB-CQSZACIVSA-N 231.364 2.800 30 20 BFED CC[C@H](C#N)NC(=O)CCc1cc(C)cc(C)c1 125796752 WLEZLVPLXKEPQL-CQSZACIVSA-N 244.338 2.654 30 20 BFED N#Cc1ccc(CN2C[C@H]3CCC[C@@H]3C2)s1 126926897 SDWANMAQHFYFLC-GHMZBOCLSA-N 232.352 2.852 30 20 BFED CCC(CC)CC(=O)N(C)[C@H](C)CC#N 128562717 GKRLYIKVRWCVBI-SNVBAGLBSA-N 210.321 2.573 30 20 BFED C=CCC[C@@H](C)Nc1ccccc1CC(=O)NC 130644584 GXYZYDGUFYISCA-GFCCVEGCSA-N 246.354 2.742 30 20 BFED CCCCCCCC(=O)NCC[C@@H](O)CC 131733287 IKWGGZHGKIROFY-LBPRGKRZSA-N 229.364 2.624 30 20 BFED C=CCN(C)C(=O)N[C@@H](C)c1ccc(C)cc1 153808021 GBHARZPGTHXZNU-LBPRGKRZSA-N 232.327 2.883 30 20 BFED C#CCNC(=O)C[C@H](CC)c1ccc(C)cc1 154963732 RIQWCEYDNMNWAB-ZDUSSCGKSA-N 229.323 2.628 30 20 BFED C=CCCOCCNC(=O)/C=C(/C)C(C)(C)C 155084471 CZNDZSRIQRCKAJ-QXMHVHEDSA-N 239.359 2.688 30 20 BFED C=C(C)CNC(=O)N1CCC[C@H]1C1CCCC1 156659359 QATDZACAUBKJOC-ZDUSSCGKSA-N 236.359 2.927 30 20 BFED C=CC[C@H](C)NC(=O)c1ccc(N)cc1Cl 158387500 KDAMKBZXDOYEKC-QMMMGPOBSA-N 238.718 2.617 30 20 BFED C=CCCNC(=O)c1ccc(CSC)cc1 162160346 JNYLRZKRLSNLFW-UHFFFAOYSA-N 235.352 2.856 30 20 BFED CC#CCCNCc1c(F)cccc1Cl 163425971 VOLJLPRHQOQMHL-UHFFFAOYSA-N 225.694 2.982 30 20 BFED Cc1ccccc1/C=C/C(=O)c1cnn(C)c1C 164804652 IBRUYYMTGGQXAJ-CMDGGOBGSA-N 240.306 2.933 30 20 BFED C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2F)CCO1 168282390 VRPITVAFAJGYLX-KOLCDFICSA-N 234.274 2.677 30 20 BFED CCCCCCCC(=O)NOCC(F)(F)F 168886530 TURVEYADZCONIT-UHFFFAOYSA-N 241.253 2.957 30 20 BFED C#CCCOC(=O)C1(c2cccc(Cl)c2)CC1 170717842 GZDGJUYIWJBAFO-UHFFFAOYSA-N 248.709 2.938 30 20 BFED CCCCOCC/N=C(\N)Nc1ccccc1C 170909056 MLNHDMXQHISUSO-UHFFFAOYSA-N 249.358 2.538 30 20 BFED C[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2)[C@H]1C 175413026 OMUZAZRPEQATLK-QWRGUYRKSA-N 243.310 2.820 30 20 BFED C=C(C)COC(=O)[C@H](c1ccccc1)N(C)CC 175472472 AEPHUMFNWFBSII-AWEZNQCLSA-N 247.338 2.799 30 20 BFED C=CCCCC(=O)Nc1ccc([N+](=O)[O-])cc1 175610133 AIDBLHIUFLWSLA-UHFFFAOYSA-N 234.255 2.890 30 20 BFED CCOC[C@H](C)Nc1cc(C#N)ccc1OCC 180740578 PNYKOHXJOLPAOI-NSHDSACASA-N 248.326 2.794 30 20 BFED CC1(C)CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1 181341725 WWYOOPCQMYVJHF-GFCCVEGCSA-N 245.326 2.585 30 20 BFED C=CCCC[C@@H](C)NC(=O)/C=C/C=C/C 182634971 CHEVZIQBTMITMA-REAUAHAJSA-N 207.317 2.980 30 20 BFED C=CC[C@H](C)NC(=O)c1cn(C(C)(C)C)nc1C 183050995 NYMWFSJCLDEUTD-JTQLQIEISA-N 249.358 2.641 30 20 BFED CCCCSCCC(=O)N[C@@H](CC)CC#N 183815074 OFPMOMTZSVBCEP-NSHDSACASA-N 242.388 2.718 30 20 BFED CC/C=C/CCO/N=C(\N)c1cccc(OC)c1 184436502 GTRSESYYEHLLAM-SNAWJCMRSA-N 248.326 2.688 30 20 BFED C#CCC(C)(C)C(=O)Oc1ccc(C#N)cc1F 186061650 DVTCZTDXFMLHOY-UHFFFAOYSA-N 245.253 2.652 30 20 BFED Cc1csc([C@H](C#N)C(=O)c2coc(C)c2)n1 187234422 OKDGUGYJGMNGSQ-SNVBAGLBSA-N 246.291 2.843 30 20 BFED Cc1occc1[S@@](=O)Cc1ccc(C#N)cc1 189645852 RPBAKOSFHRBRPK-KRWDZBQOSA-N 245.303 2.768 30 20 BFED N#Cc1c(F)cccc1N[C@H]1CCO[C@H]1C1CC1 230306671 ZXVBCACXMHJORN-KBPBESRZSA-N 246.285 2.677 30 20 BFED CCN(c1nccc(C#N)c1Cl)C(C)C 233420376 ZXBXBCQTIIYNQO-UHFFFAOYSA-N 223.707 2.841 30 20 BFED N#CCc1ccnc(Cl)c1Br 238521193 COWHFJPVVUKXBY-UHFFFAOYSA-N 231.480 2.564 30 20 BFED C(=Nn1cnc2ccccc21)c1cccs1 254518116 KBTWNLTZJRWQPX-UHFFFAOYSA-N 227.292 2.980 30 20 BFED CC[C@@H](C#N)C(=O)Nc1ccccc1OC(C)C 258764040 PCXQZSIQEQJHAH-NSHDSACASA-N 246.310 2.962 30 20 BFED N#CC1(CNCc2cccs2)CCC1 258811736 BQCDEPNHBJCHGC-UHFFFAOYSA-N 206.314 2.532 30 20 BFED Cc1nc(C#N)cc(N[C@H](C)c2ccccc2)n1 259080923 XZORZKLTKQTORV-SNVBAGLBSA-N 238.294 2.830 30 20 BFED C[C@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 264047268 RTQBZKRHKHVXJK-VIFPVBQESA-N 247.273 2.571 30 20 BFED C=CCN(C(=O)Cc1ccccc1C)C1CC1 271483039 ILXQYJJVILJKGJ-UHFFFAOYSA-N 229.323 2.715 30 20 BFED C=CCN(c1cc(CC)nc(C)n1)C1CC1 272953800 YYXPVOFNJFNQJT-UHFFFAOYSA-N 217.316 2.502 30 20 BFED N#CCCCNC/C=C/c1ccccc1[N+](=O)[O-] 273098802 VFOJCXFPNOCEHW-FNORWQNLSA-N 245.282 2.501 30 20 BFED C[C@H](C1CC1)N(C)C(=O)c1ccc(F)c(C#N)c1 279283255 XBBTZNHMAOOQHJ-SECBINFHSA-N 246.285 2.568 30 20 BFED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccco1 280910592 SBFHRFAUNYHIOB-DYEKYZERSA-N 235.327 2.911 30 20 BFED Cc1oc(C#N)cc1C(=O)N1CC[C@H](C)[C@H](C)C1 281254700 JWZBZTOIPIMCIQ-VHSXEESVSA-N 246.310 2.578 30 20 BFED C=CCN(CC=C)C(=O)N(C)C1CCCC1 283040729 RJAPJRGQMUTBOK-UHFFFAOYSA-N 222.332 2.655 30 20 BFED C=C[C@@H](CO)NCc1ccc(C(C)(C)C)cc1 289733408 GJPZQKNGRSZRFZ-AWEZNQCLSA-N 233.355 2.621 30 20 BFED CCC(CC)(CNc1ccc(C#N)nc1)OC 292319957 OTUHHAAKLOOAFC-UHFFFAOYSA-N 233.315 2.570 30 20 BFED CCc1ccccc1NC(=O)CCCC#N 292731960 UPRDTVMEOIRXOQ-UHFFFAOYSA-N 216.284 2.881 30 20 BFED Cc1nc(N[C@H](C)CC#N)c(Cl)cc1C#N 292770134 WRZCHHHXMXEVMZ-SSDOTTSWSA-N 234.690 2.629 30 20 BFED C=CCC[C@@H](CC)NCc1nnc(C(C)C)[nH]1 294822442 PAHTYJXKQRAYEQ-LLVKDONJSA-N 236.363 2.763 30 20 BFED C=CC(C)(C)c1nc(Cc2ccccn2)no1 295977646 QUWYGFRPBFURJE-UHFFFAOYSA-N 229.283 2.519 30 20 BFED N#CCc1cccc(C(=O)NCC2CCCC2)c1 298590505 BOBUCYATXJZCIO-UHFFFAOYSA-N 242.322 2.673 30 20 BFED C[C@]1(CO)CCC[C@@H]1Nc1cccc(F)c1C#N 301350044 JOOWCXSGSSEZRK-UONOGXRCSA-N 248.301 2.660 30 20 BFED N#CCC[C@H](Nc1ncccn1)c1ccccc1 301804142 VDLHISLDUORAKH-ZDUSSCGKSA-N 238.294 2.934 30 20 BFED Cc1ccccc1C/N=C(/N)N1CCCCCC1 305071989 PAVMMHMGCHJQQL-UHFFFAOYSA-N 245.370 2.686 30 20 BFED N#Cc1cccnc1N1C[C@H]2CCC[C@@H](C2)C1 305976085 QOPLGLWFUGQWQH-RYUDHWBXSA-N 227.311 2.580 30 20 BFED CC(C)(C)C[C@@H]1CCN(c2cc(C#N)ncn2)C1 307769490 DLIPFEWEXHBILX-NSHDSACASA-N 244.342 2.611 30 20 BFED C#C[C@@H](NCc1cnc(C2CC2)s1)C(C)C 309382637 SGDKQNQTAZLEFP-GFCCVEGCSA-N 234.368 2.768 30 20 BFED C[C@H](NCC1(C#N)CC1)c1ccc(F)cc1 309549740 HUOLAGXFZVCGBO-JTQLQIEISA-N 218.275 2.780 30 20 BFED Cc1ccsc1C(=O)NCC(C)(C)CC#N 315825899 UAJPWYZSUFGWJT-UHFFFAOYSA-N 236.340 2.726 30 20 BFED CC1CC(/N=C(/O)[C@@H]2CCC(=O)c3cccn32)C1 329837166 MTSSCZGSHDROGZ-CBINBANVSA-N 246.310 2.761 30 20 BFED CCC[C@@H](CC)/N=C(/O)Nc1ccnn1CC 330698170 WGKWLCFDAQNKKL-SNVBAGLBSA-N 238.335 2.808 30 20 BFED CC(C)c1noc([C@H](C)N[C@@H]2CCC[C@H]2C#N)n1 330848336 PKFCGCZXGVRFFK-GARJFASQSA-N 248.330 2.536 30 20 BFED CS[C@H](C)C/N=C(/O)c1cc(C#N)oc1C 331237250 USMXOOHMFMGWTN-SSDOTTSWSA-N 238.312 2.516 30 20 BFED CCC1(CC)CCN(C(=O)[C@]2(C#N)C[C@H]2C)C1 334741302 PHDGPAJKYYTXFP-RISCZKNCSA-N 234.343 2.575 30 20 BFED C=CC(C)(C)c1nc(-c2ncc(C)s2)no1 335209783 VKGCXLPZKOUJOF-UHFFFAOYSA-N 235.312 2.965 30 20 BFED C=CCn1cccc1C(=O)N1CC[C@H]2CCC[C@H]21 335694191 UCOKRIXZSPUZHW-CHWSQXEVSA-N 244.338 2.689 30 20 BFED CCN(C(=O)[C@H](C)C#N)c1cc(C)cc(C)c1 335856212 WTFOITUSTZAPBI-GFCCVEGCSA-N 230.311 2.816 30 20 BFED N#Cc1cnc(N2CC[C@@H]3CCC[C@H]32)c(Cl)c1 336090691 GYBCDOIOHRIFER-CMPLNLGQSA-N 247.729 2.985 30 20 BFED C[C@@H]1CCCC[C@@H]1NCC1(C#N)CCC1 336261535 LAEIUBJPTUVVAO-NEPJUHHUSA-N 206.333 2.849 30 20 BFED N#Cc1ccc(C(=O)NCC2=CCCCC2)s1 336296231 ZZYYQYNCFFILMR-UHFFFAOYSA-N 246.335 2.850 30 20 BFED Cc1cccc([C@H](C)NC(=O)[C@@H](C)C#N)c1C 336500347 SAXCCRVIAXNZNV-JQWIXIFHSA-N 230.311 2.640 30 20 BFED CC(C)[C@@H]1N(C(=O)C2(C#N)CCC2)CC1(C)C 336508570 MAQXFXCZGASDDS-NSHDSACASA-N 234.343 2.573 30 20 BFED CCCN(C(=O)c1cccc(C#N)c1C)C1CC1 337854076 YPCDTZMIFDQJAU-UHFFFAOYSA-N 242.322 2.881 30 20 BFED COCC[C@H](N[C@@H]1CC[C@@H](C#N)C1)C(C)(C)C 338022438 UCJPKQDXPINVLB-UPJWGTAASA-N 238.375 2.719 30 20 BFED C=CCCN(C)C(=O)COc1cc(C)ccc1C 342014995 HICRZYREVKBNGL-UHFFFAOYSA-N 247.338 2.717 30 20 BFED C[C@H](Sc1ccccc1)C(=O)NCCCC#N 342662487 XXMCUVBGUWANRA-NSHDSACASA-N 248.351 2.587 30 20 BFED C[C@H](NC[C@]1(C)CCOC1)c1ccc(C#N)cc1 344064684 BLADZHGOOUPYLP-WFASDCNBSA-N 244.338 2.635 30 20 BFED N#Cc1csc(-c2nc(-c3ccoc3)no2)c1 350814112 ASTMCVLEHKKORU-UHFFFAOYSA-N 243.247 2.930 30 20 BFED C=CCCc1noc([C@H](CC(C)C)OC)n1 351257397 FKCUYEUCDMPCLY-JTQLQIEISA-N 224.304 2.922 30 20 BFED C=C(C)CN(CCC)Cc1ccc(CO)o1 352818059 SOGNJRCMIGHTJG-UHFFFAOYSA-N 223.316 2.560 30 20 BFED COCc1ccccc1/C=C(/C)CNCCC#N 353239608 ZRBPNVXYOPSFCU-RAXLEYEMSA-N 244.338 2.740 30 20 BFED C=C[C@@H]1CCCCN1C(=O)N[C@H]1CC[C@H](F)C1 358633070 JPKMTKVAZUOEET-SDDRHHMPSA-N 240.322 2.627 30 20 BFED C#C[C@H](NC[C@H]1CCOc2ccccc21)C(C)C 372984937 WSQVSXXSEVDQNB-HIFRSBDPSA-N 243.350 2.800 30 20 BFED C=C(C)CCOC(=O)[C@H]1CC1(Cl)Cl 379382150 ICIBBUKBARYJMA-SSDOTTSWSA-N 223.099 2.690 30 20 BFED C[C@H](C#N)OCCOc1ccc(Cl)cc1 389401987 IFAYRFBZMINKEZ-SECBINFHSA-N 225.675 2.647 30 20 BFED C=CCCCN[C@H]1CCc2cccnc21 389410825 OWRGMNMRPKPXFJ-LBPRGKRZSA-N 202.301 2.625 30 20 BFED CCCCCCCN1C[C@@H](C(=O)O)C[C@@H](C)C1 398755114 YFJJYXNHGWIVJL-OLZOCXBDSA-N 241.375 2.999 30 20 BFED C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)[C@@H](C)[C@@H]1C 399493064 FDTPSDGFTFZSCG-UTUOFQBUSA-N 242.322 2.675 30 20 BFED CC[C@@H](NC(=O)C1(C#N)CCCCC1)C(F)F 408471646 XPTUFVBPUOGIHB-SECBINFHSA-N 244.285 2.620 30 20 BFED N#CCc1cc(-c2ccccc2)nn1CCF 409443892 WEAXRZLKZKOLJI-UHFFFAOYSA-N 229.258 2.586 30 20 BFED N#CCc1ccccc1NC(=O)CSC1CC1 410830990 XMHDCZDOHLYDCG-UHFFFAOYSA-N 246.335 2.587 30 20 BFED COCC[C@@H](C)CNc1ccc(C#N)cc1F 413498154 XASKDOXWWPPFBY-SNVBAGLBSA-N 236.290 2.782 30 20 BFED CCC(CC)Sc1cncc(C#N)n1 420589367 TYCWPJLASDMING-UHFFFAOYSA-N 207.302 2.629 30 20 BFED C=C(C)C(C)(C)C(=O)NCC1(C(F)F)CC1 424805188 AMMSXXWKPGGZLY-UHFFFAOYSA-N 231.286 2.750 30 20 BFED C[C@H]1CCN(c2ncc3c(c2C#N)CCC3)[C@@H]1C 425236455 QCVIWIHOHZBKEF-WDEREUQCSA-N 241.338 2.677 30 20 BFED C=C[C@H](C)N[C@@H]1CCc2c(cccc2OC)C1 426051599 URWRWALKUYTUMB-WCQYABFASA-N 231.339 2.717 30 20 BFED C=CCN(C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 430055598 DNAXLEQBIRJVMS-RWMBFGLXSA-N 236.359 2.783 30 20 BFED C=C[C@@H]1OCC[C@H]1NC/C=C/c1ccccc1 449523737 YFDFXWZXWZPOCD-SIEMXDPISA-N 229.323 2.633 30 20 BFED N#CCN(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)C1CCCC1 449950308 FUEZQBWHJMZXGN-MBNYWOFBSA-N 246.354 2.717 30 20 BFED CC[C@H]1CCC[C@@H]1CNC(=O)C1(C#N)CCC1 452526441 JVYBRDCFCCKUPB-NWDGAFQWSA-N 234.343 2.623 30 20 BFED C=CC(C)(C)CN[C@@H](C)[C@@]1(C)CCCO1 453313846 XGUDBPJYIUDQCD-WCQYABFASA-N 211.349 2.746 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2occc21 453375526 XBWWXVJQRWNCMN-UPJWGTAASA-N 233.311 2.590 30 20 BFED C=C[C@H](C)NC(=O)NC[C@@H]1CCCC1(C)C 454661772 HUOLSLWSBRBPOY-QWRGUYRKSA-N 224.348 2.686 30 20 BFED C=CC[C@@H](CC)NC(=O)NCCC(=C)C 454922498 WAUIYONABPSWIP-LLVKDONJSA-N 210.321 2.607 30 20 BFED C=CC1CCN(C(=O)NC/C=C\CC)CC1 455297622 KKVJSYYLXRLNFZ-WAYWQWQTSA-N 222.332 2.560 30 20 BFED C=C(CC)CNC(=O)[C@H]1CC12CCSCC2 456838763 JMZRULRZLNQSFO-LLVKDONJSA-N 239.384 2.602 30 20 BFED COCC1CCC(NCC(C)(C)CC#N)CC1 459737118 VQTZWWWVTPKWFZ-UHFFFAOYSA-N 238.375 2.721 30 20 BFED CC#CCCCC(=O)N[C@H]1CCC[C@@H]1CC 466438346 LLTXAMMMUDNDQQ-STQMWFEESA-N 221.344 2.875 30 20 BFED C=CCn1cccc1C(=O)N(C)[C@H](C)CC 488719904 JPSVKSRHMIINJO-LLVKDONJSA-N 220.316 2.545 30 20 BFED C#CCN(C)C(=O)[C@H](CC(C)C)c1ccccc1 491439045 HTJITOPDIQZXFN-OAHLLOKOSA-N 243.350 2.908 30 20 BFED C#C[C@H](CC)NC(=O)c1ccccc1SCC 491805443 OALYOPYUZTZTHH-LLVKDONJSA-N 247.363 2.940 30 20 BFED COc1cccnc1NCc1ccc(C#N)s1 539564879 AVKHWSOOUFNVJY-UHFFFAOYSA-N 245.307 2.635 30 20 BFED CC#CCCN1CCCN(C)c2cc(F)ccc21 545904482 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CCOC(=O)/C=C\CSc1ccccc1C#N 755911721 XLOVXXCFYGPOLJ-YVMONPNESA-N 247.319 2.770 30 20 BFED C=C[C@@H](C)NC(=S)Nc1ccc(C)cc1 756795056 GJDVYBLAWCZLJH-SNVBAGLBSA-N 220.341 2.856 30 20 BFED C#CC[C@H](NCc1nccs1)c1ccccc1 756995393 HOQFPMFVUORZIX-ZDUSSCGKSA-N 242.347 2.997 30 20 BFED C=C(C)COC(=O)CSc1ccc(O)cc1 757107530 LRSYAQOECDEECJ-UHFFFAOYSA-N 238.308 2.604 30 20 BFED C#CCCCC(=O)N(CCC)c1cccnc1 758600017 WIQUBKMWCUIRQY-UHFFFAOYSA-N 230.311 2.628 30 20 BFED CCC(C)(C)C/N=C\c1cccc(O)c1O 760982682 VHRVZYSGTPKJIL-ZSOIEALJSA-N 221.300 2.953 30 20 BFED COc1cccc(O)c1/C=N\C1CC(F)(F)C1 760989827 HOFLKESQNNEANA-CHHVJCJISA-N 241.237 2.617 30 20 BFED CC#CCCN(C)CCc1ccccc1F 764961580 UBGUAZSKGWKCAV-UHFFFAOYSA-N 219.303 2.713 30 20 BFED C[C@H](C=NN1Cc2ccccc2C1=O)CCC#N 766028621 DOTLJOVGRDBSGP-NSHDSACASA-N 241.294 2.568 30 20 BFED CCO[C@H]1CCCC1=NNCCC(C)(C)C 766455063 OXQSYKGUGFAGLO-LBPRGKRZSA-N 226.364 2.957 30 20 BFED CCc1cnccc1C(=O)/C=C/c1cccnc1 766772415 SDQWHIIHOPPZJN-AATRIKPKSA-N 238.290 2.935 30 20 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C#C[C@H](C)NC(=O)N[C@](C)(CC)c1ccccc1 812034299 MXYRECADJUCZOV-SWLSCSKDSA-N 244.338 2.633 30 20 BFED CCON=Cc1c(C)c2ccccc2n1C 814788338 PJTRTHVUERVUOK-UHFFFAOYSA-N 216.284 2.857 30 20 BFED C#C[C@@H](C)NC(=O)N1CCCC2(CCCCC2)C1 820435201 GMGFLUSDKQPMID-CYBMUJFWSA-N 248.370 2.764 30 20 BFED CC[C@@H](C)[C@@H](C=NOC1CCCC1)OC 834969017 RQSGCFCZTHQYTD-ZYHUDNBSSA-N 213.321 2.993 30 20 BFED CCOc1cccc(C=NOC(C)C)c1O 835004019 JFVGSVBAZVIWKO-UHFFFAOYSA-N 223.272 2.550 30 20 BFED C[C@H](C=Nn1ccnn1)CC1CCCCC1 835012363 WYCNHYKNAXJMOP-NSHDSACASA-N 220.320 2.719 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)OC1CCCCCC1 835097166 BGCWSYAZVYQXPM-OLZOCXBDSA-N 238.327 2.844 30 20 BFED CC(C)[C@H](C#N)OC(=O)C1=CC[C@@H](C)CC1 835125953 ZGKUTNHRUFZANF-PWSUYJOCSA-N 221.300 2.824 30 20 BFED C=C[C@@H](OC(=O)[C@H]1CC1(F)F)C(C)(C)C 835391999 UGLFGIJEENUTFU-HTQZYQBOSA-N 218.243 2.786 30 20 BFED C=CC(C)(C)COC(=O)[C@@H](CC)SC 835724932 SPQBREDPSPKSRY-SECBINFHSA-N 216.346 2.883 30 20 BFED C#CCCCNC(=O)NCC1CCCCCC1 836330504 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234.270 2.524 30 20 BFED CC(C)(C#N)CC(=O)N(CC(F)F)C1CCC1 895143523 POVCZYWGSQEWTH-UHFFFAOYSA-N 244.285 2.572 30 20 BFED C=CC[C@@H](C)[C@@H](C)NCc1ccc(CCO)cc1 898170700 JXNSFTDRVKEREO-ZIAGYGMSSA-N 247.382 2.912 30 20 BFED C=CCC[C@@H](N[C@H](CC)C1CCC1)C(=O)O 901690383 OQLPLNIVFHXDFA-VXGBXAGGSA-N 225.332 2.574 30 20 BFED C=C(CC)CSCc1noc2c1COCC2 901778947 NNYUIUOMQVNLTA-UHFFFAOYSA-N 239.340 2.947 30 20 BFED C=CCCCCn1oc(C)c(CC)c1=O 902580286 UKFVZFLBTINJCQ-UHFFFAOYSA-N 209.289 2.668 30 20 BFED CC(=O)c1nccn1CCCCC1(C#N)CCC1 902737577 BAVSYISIKMVNRC-UHFFFAOYSA-N 245.326 2.950 30 20 BFED CCCCN(O)C(=O)[C@H](C)c1ccsc1 904210662 WITZFBOJYHDHAF-SECBINFHSA-N 227.329 2.870 30 20 BFED CCN(CC1CCC1)C(=O)c1ccsc1C#N 907913747 RQDYLTKLXJQSNL-UHFFFAOYSA-N 248.351 2.882 30 20 BFED Cc1ccccc1C(=O)OCCCCC#N 912957622 MTQMICFHIOCYQS-UHFFFAOYSA-N 217.268 2.846 30 20 BFED C=C(Cl)COC(=O)Cc1ccc(F)cc1 916610153 ZEPNHXPWWNOSRR-UHFFFAOYSA-N 228.650 2.664 30 20 BFED C#CCCCC(=O)OCc1ccc(OC)c(C)c1 922651161 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CC(C)(C#N)CCN1CC[C@@H]2CCC[C@@H]21 336120343 GSGATDBYSNZMQB-RYUDHWBXSA-N 206.333 2.801 30 20 BFED C[C@@H]1CC2(CCC2)CN1c1ncccc1C#N 336137735 JBFPRANLNLQTGM-LLVKDONJSA-N 227.311 2.722 30 20 BFED C[C@H]1C[C@@H](c2ccccc2)CCN1CC#N 336159284 WWNYLWUQTKKKNB-JSGCOSHPSA-N 214.312 2.778 30 20 BFED C=C[C@H]1CCCCN1C(=O)NCc1occc1C 336521521 ZVIGYMDFLDNFFP-LBPRGKRZSA-N 248.326 2.838 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CC[C@@H]1CC 336743028 SRHMWFAGLFILFV-CRWXNKLISA-N 223.360 2.746 30 20 BFED C=CC[C@H](CC)NC(=O)CC[C@@H]1CC[C@H](C)O1 337094195 OQMXITYEDDTPQT-AVGNSLFASA-N 239.359 2.805 30 20 BFED C=CCCO[C@H](C)C(=O)NC[C@H]1CCC[C@H]1C 340082728 GOGFCHUFDAPNDW-JHJVBQTASA-N 239.359 2.520 30 20 BFED C=CCC[C@H](CC)N[C@H](CC)C(C)(C)O 340500927 SIMOXPMOTRLBII-NWDGAFQWSA-N 213.365 2.870 30 20 BFED C=CCCCN(CC(F)(F)F)[C@H]1CCOC1 340992915 HJJUJAXUPPYMOE-JTQLQIEISA-N 237.265 2.606 30 20 BFED C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CC1(C)C 341425622 AXHDWRULSQSXPQ-WDEREUQCSA-N 224.348 2.781 30 20 BFED 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20 BFED CC[C@@H](C)NN=C1CCC2(CCCO2)CC1 790183694 VAQMWZFOCHWHSZ-JTDNENJMSA-N 224.348 2.854 30 20 BFED C#C[C@H](CCC)NC(=O)N[C@@H](C)CCCC=C 791036649 WCLKINYZHLGONI-QWHCGFSZSA-N 236.359 2.832 30 20 BFED C#C[C@H](CCC)NC(=O)N1CC[C@@H](C)[C@H]1CC 791065314 PKUJNKDLKNBORI-JHJVBQTASA-N 236.359 2.618 30 20 BFED C#C[C@H](CCC)NC(=O)N1C[C@H](C)C[C@H]1CC 791066923 GYPOWQUBRBXSIB-JHJVBQTASA-N 236.359 2.618 30 20 BFED C[C@]12CCN(CCCC#N)C[C@H]1C2(Cl)Cl 792911098 FWIVFMKTJURWKZ-ZJUUUORDSA-N 247.169 2.806 30 20 BFED CC[C@@H](C)CON=C(C)c1ccc(O)cc1O 793144496 CYQMJTWKIPDTRG-SECBINFHSA-N 237.299 2.885 30 20 BFED CC(C)CC[C@@H](O)CN(CCC#N)CC(C)C 795514682 MUZWYCMYUKDNKI-CQSZACIVSA-N 240.391 2.655 30 20 BFED Cc1nc2cc(C(=O)OCCCC#N)ccc2o1 795684153 YSJXOTOGJIXZLG-UHFFFAOYSA-N 244.250 2.597 30 20 BFED C=C(CC)COC(=O)C[C@H]1CCC(=O)[C@H]1C 796230389 QQNYCRSIZSXESO-WDEREUQCSA-N 224.300 2.501 30 20 BFED C#C[C@H](C)OC(=O)c1ccc(C(C)(C)C#N)cc1 796723847 BTPCCROAWCHBCD-NSHDSACASA-N 241.290 2.666 30 20 BFED CC[C@](C)(C#N)C(=O)OCCc1ccccc1F 796997948 CTROOYXQRCBGOF-CQSZACIVSA-N 249.285 2.851 30 20 BFED COCc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1 799727056 YDQNHRFBGRWLQJ-JSGCOSHPSA-N 230.311 2.937 30 20 BFED CC#CC(=O)Nc1ccc2oc(C(C)C)nc2c1 801131240 AJAVBVRHCOXHDW-UHFFFAOYSA-N 242.278 2.913 30 20 BFED C#CCOC(=O)c1cc(C)cc2c1NCC[C@@H]2C 809553670 CEVJWQAUTYFRMZ-NSHDSACASA-N 243.306 2.704 30 20 BFED C#CCOc1ccccc1C=NOC/C=C\Cl 811669530 QHGHBBBLNVWLFV-MBCYWTQPSA-N 249.697 2.802 30 20 BFED CC(=NOC1CCC1)c1ccc2n[nH]cc2c1 812237245 RCIXKCLKXRRWJQ-UHFFFAOYSA-N 229.283 2.856 30 20 BFED CC[C@@H](C)NN=C1COc2cc(C)c(C)cc21 814912983 FAHDGLOLQRITQY-LLVKDONJSA-N 232.327 2.788 30 20 BFED C=CCN(Cc1ccnn1CC1CC1)C(C)C 824581878 WJESKCXWDJFXIE-UHFFFAOYSA-N 233.359 2.690 30 20 BFED CCCCCCCS(=O)(=O)NC1(CC)CC1 831873213 RFMYPPJIYSSXOE-UHFFFAOYSA-N 247.404 2.819 30 20 BFED C#CCN(C(=O)c1cc(SC)oc1C)C1CC1 832222034 HCVJRSVXUGHFMN-UHFFFAOYSA-N 249.335 2.548 30 20 BFED C[C@H]1CC(=NNc2ccc(F)cc2F)[C@@H](C)O1 834913723 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BFED C=C(C)CON=C1CCN(C2CCCC2)CC1 844617249 LPXOGJUQUADQCQ-UHFFFAOYSA-N 236.359 2.974 30 20 BFED C=C[C@H](C)ONC(=O)NCc1c(C)cccc1C 845629383 VALZFXKYKZACCY-LBPRGKRZSA-N 248.326 2.609 30 20 BFED C=CCC1(C(=O)NOCC(=C)C)CCCC1 846534746 ZVDWAZOYNSTCRF-UHFFFAOYSA-N 223.316 2.747 30 20 BFED C=C[C@H](C)ONC(=O)CCCCCCC 846545558 XNCDHHHLRNPLDL-NSHDSACASA-N 213.321 2.969 30 20 BFED C=C[C@@H](C)ONC(=O)[C@H](C)c1cccc(C)c1 846546522 WHTDGDYJPNDAKN-VXGBXAGGSA-N 233.311 2.721 30 20 BFED C=C[C@@H](C)ONC(=O)[C@H](CCC)C(C)C 846548372 NXJKRXWWFMHKJV-GHMZBOCLSA-N 213.321 2.681 30 20 BFED COc1ccc(NC[C@H]2CCSC2)cc1C#N 846752709 GRKAFXUOGMYPLT-SNVBAGLBSA-N 248.351 2.732 30 20 BFED C=C[C@H](C)OC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 850968931 IPOYKIGVNJASJK-LEWSCRJBSA-N 246.306 2.916 30 20 BFED C=CC[C@H]1CCCCC1=NNCC(F)F 853310280 DUCPRJXPIOILKS-VIFPVBQESA-N 216.275 2.963 30 20 BFED C#CC1CCC(=NNC[C@H]2CCSC2)CC1 853346643 HWVJOAOUIBHIMF-PIJUOVFKSA-N 236.384 2.509 30 20 BFED C[C@@H]1C[C@@H]1C=NNc1ccnc(Cl)c1 853394993 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246.701 2.711 30 20 BFED C=CCn1nnnc1S[C@H]1CCC[C@H](C)C1 522748645 SNCPUZKPMHJKLM-UWVGGRQHSA-N 238.360 2.530 30 20 BFED CC(C)[C@@H](CC1CCCC1)C(=O)N(C)CC#N 523817634 IHYUIQNLFYGDAR-CYBMUJFWSA-N 236.359 2.821 30 20 BFED Cc1cc(NCC2CC=CC2)cc(C#N)n1 528115064 NTEGKQMLPLVJLY-UHFFFAOYSA-N 213.284 2.640 30 20 BFED C=C(CC)CN1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 550307111 PAHMIMLGSSTGEN-IGQOVBAYSA-N 205.345 2.931 30 20 BFED C=CCCCCNC(C)(C)c1noc(CC)n1 556271382 GROFKMYGRPIZFF-UHFFFAOYSA-N 237.347 2.813 30 20 BFED C=CCCCCN=c1ccn(C(C)C)[nH]1 560340328 GTICSBFUKHYQEK-UHFFFAOYSA-N 207.321 2.654 30 20 BFED CCN(C[C@H](C)C#N)C(=O)[C@H]1CC[C@H](C)CC1 563238486 UUYVIHHBUCBKEV-JHJVBQTASA-N 236.359 2.821 30 20 BFED Cn1ccc2c(NC(=O)CCCC#N)cccc21 564642407 XEXGXXFRFVXNOG-UHFFFAOYSA-N 241.294 2.811 30 20 BFED Cc1cc(CNC2CCC(C)(C#N)CC2)no1 569188117 PGVMPJLXQWYFFE-UHFFFAOYSA-N 233.315 2.545 30 20 BFED CC1(C#N)CN(C(=O)c2cccc(C3CC3)c2)C1 571536024 XELHYTQEPAOSBO-UHFFFAOYSA-N 240.306 2.550 30 20 BFED 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2.973 30 20 BFED C=CCCNC(=O)N[C@H](C)Cc1cccs1 660329043 SNZBHTCDMZARIY-SNVBAGLBSA-N 238.356 2.554 30 20 BFED C=CCCNC(=O)N(C)CCCc1ccccc1 661569784 DWRPPJKYTKFFSB-UHFFFAOYSA-N 246.354 2.837 30 20 BFED CC#CCCCC(=O)NC(C(C)C)C(C)C 681001722 BPHRTKHJKBTSMN-UHFFFAOYSA-N 223.360 2.977 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@H]1Cc2ccc(F)cc21 684939625 SNSIQAILGRLDOK-OCCSQVGLSA-N 247.313 2.936 30 20 BFED N#Cc1cc(N[C@@H]2CC23CCC3)c([N+](=O)[O-])s1 721208154 NAAMQOFKQJAGIF-SECBINFHSA-N 249.295 2.882 30 20 BFED C=CCNC(=S)N(C)C[C@@H](C)c1ccccc1 727282628 CPDGIWPTNXYBDN-GFCCVEGCSA-N 248.395 2.782 30 20 BFED C=C(C)COc1cccc(NC(=S)NC)c1 727283132 KKHOBLURTXFZSY-UHFFFAOYSA-N 236.340 2.558 30 20 BFED C=CCCOC(=O)c1cc(C)nc2onc(C)c12 729073399 XDYMFCUVBJQEIK-UHFFFAOYSA-N 246.266 2.573 30 20 BFED C=CCNC(=S)N[C@H](C)CCC(C)(C)C 735986943 MFIBARBXSFMDHX-SNVBAGLBSA-N 228.405 2.851 30 20 BFED CC1(c2ccccc2)CC(=NNCC(F)F)C1 740616198 FXAYVPJUZIKBMH-UHFFFAOYSA-N 238.281 2.949 30 20 BFED C=C(C)CNC(=S)N1CCC(C(C)C)CC1 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CCN(CC(C)C)C(=O)c1ccsc1C#N 906038629 MOVAMZCQECRBSM-UHFFFAOYSA-N 236.340 2.738 30 20 BFED N#CCOC(=O)c1ccc(OC2CCCC2)cc1 914952587 MDNOTPHRIUMRSG-UHFFFAOYSA-N 245.278 2.688 30 20 BFED Cc1ccc(C=NNc2oc(C)nc2C#N)cc1 917555349 OJTJQBVPKLFXAV-UHFFFAOYSA-N 240.266 2.609 30 20 BFED C=CCCOC(=O)COc1ccc(Cl)cc1 918505151 VZVLVFYJGTUAAX-UHFFFAOYSA-N 240.686 2.838 30 20 BFED CC(C)(C(=O)N1CCC[C@@H](C#N)C1)C1CCCC1 928218587 BEYRHARIOWQNFU-LBPRGKRZSA-N 248.370 2.965 30 20 BFED CC1(CCC(=O)NCc2ccc(C#N)cc2)CC1 929940429 AOHOAAZIWMNVJU-UHFFFAOYSA-N 242.322 2.755 30 20 BFED C=C(C)CN(C)Cc1cc(C)cc(C)n1 930243944 KHJSDWKECDAAKQ-UHFFFAOYSA-N 204.317 2.706 30 20 BFED C=CCNN=C1C[C@H](C)c2c(C)ccc(O)c21 1117132434 IYQWFJVXYCDRHM-JTQLQIEISA-N 230.311 2.688 30 20 BFED CC(C)(C)ON=C1CCc2cccc(O)c21 1117830342 CTIKSRVLMRQFMW-UHFFFAOYSA-N 219.284 2.858 30 20 BFED C#CCN(Cc1ccc(F)c(OC)c1)C(C)C 1120071895 YXUSMIAYSRYHPL-UHFFFAOYSA-N 235.302 2.678 30 20 BFED C#Cc1ccc(N[C@H](C)CN(CC)CCC)nc1 1120849612 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246.285 2.568 30 20 BFED C=C(C)CCC(=O)NCc1cccc(F)c1 1338683723 OXIUUZZBADEZAU-UHFFFAOYSA-N 221.275 2.798 30 20 BFED C=C(C)CCC(=O)N1CCC[C@H](C)[C@H]1C 1338869301 UWYBPLFULVPJRU-NWDGAFQWSA-N 209.333 2.990 30 20 BFED CC(C)(C)[C@H]1CCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 1341847804 ZKCXKVLJKHIJDP-QJPTWQEYSA-N 249.358 2.509 30 20 BFED N#Cc1cccnc1NC[C@@H]1C[C@H]2C=C[C@H]1C2 1343304413 FOQYZQPIXZWCKY-GVXVVHGQSA-N 225.295 2.577 30 20 BFED CC(=NNc1ccn(C)n1)c1ccc(F)cc1C 1343530229 VMCPSNMJOUEDDR-UHFFFAOYSA-N 246.289 2.704 30 20 BFED C#CCC[C@H](C)OC(=O)CCC1(C)CC1 1345059080 DRISSVSXFBIPHL-NSHDSACASA-N 208.301 2.912 30 20 BFED C=C(C)CCC(=O)OCc1cccc(C)n1 1357746143 CKNAEQBHGMXKTM-UHFFFAOYSA-N 219.284 2.790 30 20 BFED Cc1cc(CNc2ncccc2C#N)cc(C)n1 1559216088 NSAJROWTMIIZNM-UHFFFAOYSA-N 238.294 2.577 30 20 BFED Cc1cc(NC(=O)c2csc(C#N)c2)sn1 1587480048 SBCGSOAHHLFUFJ-UHFFFAOYSA-N 249.320 2.637 30 20 BFED C=C(C)CCOC(=O)C(CC)(CC)CC(=O)O 1588561668 UKWGQUCDTZEMSC-UHFFFAOYSA-N 242.315 2.777 30 20 BFED C=CCCSCc1cncc(C(=O)O)c1 1588814764 QFAPWCITPPVPRW-UHFFFAOYSA-N 223.297 2.589 30 20 BFED O=C(O)[C@@H]1CCC(=NOC2CCCCC2)C1 1608617147 YRSNHROITDXMPG-SECBINFHSA-N 225.288 2.576 30 20 BFED N#Cc1ccc(SCCc2cn[nH]c2)c(F)c1 1651825581 NYIKTSGJPOMUEO-UHFFFAOYSA-N 247.298 2.755 30 20 BFED C=CCN1CC[C@H](CC(=O)O)c2ccccc21 1776181151 SXYJFBCNKOAKRF-LLVKDONJSA-N 231.295 2.641 30 20 BFED C=CCNC(=S)NCCCCc1ccccc1 13817676 CUHWTWUVGSKUOB-UHFFFAOYSA-N 248.395 2.659 30 20 BFED C=C(C)CCOc1ccccc1[N+](=O)[O-] 34583523 ZKAKWJBBQHHODW-UHFFFAOYSA-N 207.229 2.940 30 20 BFED CCN(Cc1cccc(C#N)c1)C[C@@H]1CCCO1 42468289 GRUCBHHVECRSAQ-HNNXBMFYSA-N 244.338 2.559 30 20 BFED CC[C@H](C)[C@@H](C(=O)N(C)CC#N)c1ccccc1 45049155 HMBNWCVYYNXHOU-GXTWGEPZSA-N 244.338 2.798 30 20 BFED C=CCNC(=O)N[C@@H](C)c1ccc(F)cc1F 53512508 SLGGMCNGYILCJW-QMMMGPOBSA-N 240.253 2.511 30 20 BFED CC[C@H](CC#N)NCc1ccc(OC)c(C)c1 54183778 DKPTVMPBPQKVAB-CYBMUJFWSA-N 232.327 2.786 30 20 BFED N#Cc1ccc(SC2CCOCC2)cc1 62054336 ZCYGHLKREAZABI-UHFFFAOYSA-N 219.309 2.829 30 20 BFED C#CCNc1ccc(OCC(F)(F)F)cc1 70184750 VPYPTRGDSSCEMK-UHFFFAOYSA-N 229.201 2.673 30 20 BFED C=CCN(Cc1cnn(C)c1)Cc1cccs1 71122195 MIHIGUODCSJGQV-UHFFFAOYSA-N 247.367 2.670 30 20 BFED CCCCN(CC)C(=O)c1cc(C#N)cs1 84073875 ITKKSDNMYSHKLH-UHFFFAOYSA-N 236.340 2.882 30 20 BFED N#Cc1ccc(NC(=O)[C@@H]2Cc3ccccc32)cc1 85607586 JMQONUDAJVXOAF-OAHLLOKOSA-N 248.285 2.837 30 20 BFED CC(C)(C#N)CCOc1cccc([N+](=O)[O-])c1 87596099 MZLOVUCEEIOOFD-UHFFFAOYSA-N 234.255 2.913 30 20 BFED Cn1cncc1CNc1ccc(Cl)c(C#N)c1 90165587 PTORBOQZOKPYCO-UHFFFAOYSA-N 246.701 2.557 30 20 BFED CC[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 96722876 NIOUTNQOFDGYGK-ZDUSSCGKSA-N 243.310 2.965 30 20 BFED CC(C)(C)CCCC(=O)N[C@H](C#N)C1CC1 108836102 OVACAKCKBQCTAC-LLVKDONJSA-N 222.332 2.621 30 20 BFED CCCCCCCCC(=O)N[C@@H](C)CCN 114576338 KNSLOTFOATXHLL-LBPRGKRZSA-N 228.380 2.591 30 20 BFED CCCC/C(N)=N/OCc1ccc(F)c(F)c1 117868539 XDBWZCVMTPBVMG-UHFFFAOYSA-N 242.269 2.944 30 20 BFED Cc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@@H](C)CC#N 119315594 FLFDHAVKSMJDLY-FPMFFAJLSA-N 243.306 2.944 30 20 BFED C#CCCCCC(=O)Oc1ccccc1 119513503 JNNCIRJUTZQVML-UHFFFAOYSA-N 202.253 2.786 30 20 BFED CN(CCC1CC1)c1ccc(C#N)cc1[N+](=O)[O-] 120318319 RENDOANIZSRXBI-UHFFFAOYSA-N 245.282 2.703 30 20 BFED CN(CCC#N)c1ccc(CN2CCCC2)cc1 123915211 MYLKDKIKKVFWAR-UHFFFAOYSA-N 243.354 2.632 30 20 BFED CC[C@](C)(C#N)NC(=O)C[C@H]1CC[C@H](C)C1 126770969 HXKRMYVGNPCBAF-GMXVVIOVSA-N 222.332 2.621 30 20 BFED C=C[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 134005174 WSHNWNFCJAIPJZ-ZJUUUORDSA-N 218.275 2.922 30 20 BFED CSC[C@@H]1CCCN1CCCCC#N 135427401 QABRUHJYWAXLIP-NSHDSACASA-N 212.362 2.508 30 20 BFED CC[C@@H](CC#N)NC(=O)Nc1ccc(C)cc1F 155509511 QDNLXUHPBJDOAQ-JTQLQIEISA-N 249.289 2.948 30 20 BFED C=CCN(C)C(=O)Nc1cc(F)ccc1C 156109172 CGKRYXKTIATYMP-UHFFFAOYSA-N 222.263 2.784 30 20 BFED COc1ccc(CNC2(C)CCC2)cc1C#N 159925196 BTMCPOMPLTYBKZ-UHFFFAOYSA-N 230.311 2.599 30 20 BFED C=CCN(CCn1ccnc1)Cc1cccs1 163261894 GRRDSMJECXCZPT-UHFFFAOYSA-N 247.367 2.633 30 20 BFED CC(C)COCCN[C@@H](C)c1ccc(C#N)cc1 164495824 AKVXRGQZBRMQME-ZDUSSCGKSA-N 246.354 2.881 30 20 BFED C[C@H]1CC(NCC(C)(C)C#N)C[C@H](C)C1 164680744 UGJPHORYUHDQTA-GHMZBOCLSA-N 208.349 2.950 30 20 BFED C#CCCCOC(=O)c1cnn(C(C)(C)C)c1C 170712191 KADNSIMLNNIQHW-UHFFFAOYSA-N 248.326 2.517 30 20 BFED C=CCCCC(=O)Nc1cc([C@H]2C[C@@H]2C)n[nH]1 175479445 GLWXGYXXVBSLEM-UWVGGRQHSA-N 233.315 2.828 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)C1(CC)CCC1 175683144 KIHQTWCIOSPWMU-NSHDSACASA-N 222.332 2.575 30 20 BFED CC1(C(=O)[C@H](C#N)c2nc3ccccc3o2)CC1 177852280 GYRZCXACZRTMBY-VIFPVBQESA-N 240.262 2.804 30 20 BFED C#CCCCN[C@@H](C)c1cccc([N+](=O)[O-])c1C 178057273 ZOBBMOLURGHRAE-LBPRGKRZSA-N 246.310 2.967 30 20 BFED C#CCCCCC(=O)NCCCC(C)C 179727785 PQBNIOHEVTUDJA-UHFFFAOYSA-N 209.333 2.732 30 20 BFED C=CCCC[C@H](C)NS(=O)(=O)C[C@H](C)CC 180846061 XOAWUQZSMJEFGG-NEPJUHHUSA-N 247.404 2.697 30 20 BFED CCCN(C(=O)Nc1ccc(C#N)cc1)C1CC1 193667257 SWUZAHQJZZPRHQ-UHFFFAOYSA-N 243.310 2.965 30 20 BFED CCC[C@H](C#N)NC(=O)[C@@H]1CCCC1(C)C 228844795 PPAXYDVOHLLCHV-MNOVXSKESA-N 222.332 2.621 30 20 BFED CCN(CCC#N)C(=O)[C@@H]1CCCC1(C)C 228846805 IFICTXYGXZQKBB-NSHDSACASA-N 222.332 2.575 30 20 BFED C#C[C@@H](CC)NCc1ccc(Br)o1 229893062 SOGKMBQYLKVBGQ-QMMMGPOBSA-N 242.116 2.544 30 20 BFED C=CCN(CC=C)Cc1cc(C(=O)O)ccc1F 231028186 QATKNVFSBOVPAB-UHFFFAOYSA-N 249.285 2.698 30 20 BFED C[C@@H](NCCOCC1CC1)c1ccc(C#N)cc1 231666122 LIXUZVBYVSSPDK-GFCCVEGCSA-N 244.338 2.635 30 20 BFED C#CCCCNC(=O)N[C@@H]1[C@@H](C)CCC[C@H]1C 246201712 MTJOEHKDMHVBFP-ITGUQSILSA-N 236.359 2.524 30 20 BFED C[C@@H]1C[C@H]1/N=C(/N)Nc1cccc2c1CCCC2 262447594 JBOPKZLPXUQHDE-QMTHXVAHSA-N 243.354 2.700 30 20 BFED CC(C)N/C(N)=N/C[C@@H]1CCCCC(F)(F)C1 262708334 OFQYRNNWMAQSAG-SNVBAGLBSA-N 247.333 2.515 30 20 BFED C=CCCC(=O)N1CCC[C@H]1c1cccn1C 263710377 AAMGLSVFABYKMR-ZDUSSCGKSA-N 232.327 2.655 30 20 BFED C=CCCN(C)C1Cc2ccccc2C1 265856937 ZOZAVUMRVBNJFO-UHFFFAOYSA-N 201.313 2.662 30 20 BFED COCC[C@@H](C)O/N=C/c1cccs1 267973326 CLTSVVRKQVWXQR-FJUNDMEASA-N 213.302 2.524 30 20 BFED C#CCCCN1CCO[C@H](c2ccc(F)cc2)C1 271052651 QCAFWXHLOZLURA-HNNXBMFYSA-N 247.313 2.612 30 20 BFED C=CCOc1cccc(CN(C)C[C@H](C)C#N)c1 271133780 QIOAZAHAAYOGGA-CYBMUJFWSA-N 244.338 2.843 30 20 BFED C=CCN(Cc1cnc(Cl)s1)C1CC1 271451250 OKKYCKNYJFTIEE-UHFFFAOYSA-N 228.748 2.947 30 20 BFED CC(=O)c1ccc(C#N)c(N2CCC(C)CC2)c1 272468236 IATYVZQGMCBRGI-UHFFFAOYSA-N 242.322 2.997 30 20 BFED CC#CCCCC(=O)N[C@@H]1CCc2ccccc21 274291558 ONBGWJVWDLHKHE-OAHLLOKOSA-N 241.334 2.984 30 20 BFED C=CCCCCNC(=O)c1cnn(C(C)(C)C)c1 274706132 OZWNJDYVAKGZRJ-UHFFFAOYSA-N 249.358 2.724 30 20 BFED CSCCCOc1ccc(C#N)c(C)c1 277395069 CIKDVBUWXSTTDM-UHFFFAOYSA-N 221.325 2.999 30 20 BFED CC[C@@H](NC[C@@H](C)COC)c1ccc(C#N)cc1 278289844 QWZBYVHPEPXFRL-IUODEOHRSA-N 246.354 2.881 30 20 BFED C=CC[C@H](C)NC(=O)c1ccc2oc(C)nc2c1 280899649 MTNBLKLACHIZKA-VIFPVBQESA-N 244.294 2.831 30 20 BFED N#CC[C@@H](O)CSCc1ccc(Cl)cc1 287577710 QERWWRPSGCSEEO-LLVKDONJSA-N 241.743 2.848 30 20 BFED 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30 20 BFED CCN(CC#N)C[C@H](C)c1ccccc1 116877931 HJVYZUIINPPYTB-LBPRGKRZSA-N 202.301 2.636 30 20 BFED C[C@H]1CCCN(C(=O)CC#N)c2ccccc21 124782951 VPVUGECIEYFSAV-NSHDSACASA-N 228.295 2.831 30 20 BFED CC1CC(C#N)(C(=O)NC[C@H]2CCCC[C@@H]2C)C1 125790211 WVXGYVYWDQHSOA-SBEAFCBVSA-N 248.370 2.869 30 20 BFED CC(C)(C)[C@H]1CCN(c2cccc(C#N)n2)C1 128438355 FBDVNCZVQMYBMB-NSHDSACASA-N 229.327 2.826 30 20 BFED N#Cc1ncccc1NC(C1CC1)C1CC1 129924504 WBDMZJGOMMFBER-UHFFFAOYSA-N 213.284 2.554 30 20 BFED Cc1cc(C)c(C#N)c(NCc2ccoc2)n1 134509105 BMPIUWIYOXZPQK-UHFFFAOYSA-N 227.267 2.775 30 20 BFED C[C@@H](CNC(=O)C1(C#N)CCC1)c1ccccc1 134708059 PMEIJQKSDVMRLA-LBPRGKRZSA-N 242.322 2.600 30 20 BFED Cc1nc(C#N)c(C#N)n1C[C@@H]1CCC[C@H](C)C1 135478095 KGGPLKDXVFOFNL-CMPLNLGQSA-N 242.326 2.761 30 20 BFED Cc1cc(C)c(C#N)c(N(C)C2CCC2)n1 135605670 IRLQMQNSDWUJGW-UHFFFAOYSA-N 215.300 2.559 30 20 BFED COCc1cccc(CN2CCC(C#N)CC2)c1 144385612 VJYMECYHGDUAGE-UHFFFAOYSA-N 244.338 2.569 30 20 BFED Cc1ccc(CNc2ccc(C#N)nc2)cc1 149322342 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236.306 2.863 30 20 BFED C#CC[C@H](CCOC)NCC1CCCCC1 858332613 XVLSOIVMRUFYRX-CQSZACIVSA-N 223.360 2.585 30 20 BFED C#CCCOC(=O)N(C)Cc1ccccc1C 858878839 MEGSLUXDXKJETI-UHFFFAOYSA-N 231.295 2.587 30 20 BFED C#CCCOC(=O)NC[C@H](C)c1ccccc1 858880988 IPMZJZVANLWCTP-LBPRGKRZSA-N 231.295 2.540 30 20 BFED C=CCCC[C@@H](C)NC(=O)N[C@H]1CC12CCC2 872960717 KYJYLHVTGTZZRC-NEPJUHHUSA-N 236.359 2.973 30 20 BFED C=CCC[C@H](C)NC[C@H]1Cc2ccccc2CN1 873293777 NXNZWBXNPZAJEG-XJKSGUPXSA-N 244.382 2.645 30 20 BFED C#CCCCCCCN1CC(OCC(F)F)C1 877580426 KRWQGGYOWUOKTC-UHFFFAOYSA-N 245.313 2.536 30 20 BFED Fc1cccc(/C=C\C=NN[C@H]2CCCOC2)c1 884452516 RJHIOEORFPADJB-GBQMOGMGSA-N 248.301 2.593 30 20 BFED C=C1CCC(C(=O)NCc2ccoc2C)CC1 888901476 LKMGACBOOVWSAK-UHFFFAOYSA-N 233.311 2.951 30 20 BFED C#Cc1ccc(NC(=O)CC[C@H]2CCCO2)cc1 891314612 VZZANZHNFJMCJV-CQSZACIVSA-N 243.306 2.566 30 20 BFED C=CCCNC(=O)N(Cc1ccoc1)C1CC1 895691717 LCKGFPPFCAYQJY-UHFFFAOYSA-N 234.299 2.530 30 20 BFED C#CCN(CC#N)C[C@@H](C)c1ccc(C)cc1 897163985 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30 20 BFED C=CCCCCCCNC(=O)[C@@H](F)CC 1120737222 QZYSJKOMAVNLMO-NSHDSACASA-N 215.312 2.987 30 20 BFED C=CCCOCCNc1ccc(CC)cn1 1120827334 GPWIZNGXCGSTLB-UHFFFAOYSA-N 220.316 2.649 30 20 BFED C=CCN(C)C(=O)[C@@H](C)c1ccc(F)cc1F 1320481585 VHSGNGOYASNEJF-VIFPVBQESA-N 239.265 2.713 30 20 BFED C#CCCCC(=O)N(C)[C@@H]1CC[C@@H](SC)C1 1321124518 RBRNIYAEFHXBBK-VXGBXAGGSA-N 239.384 2.532 30 20 BFED C#CCCCC(=O)NC[C@@H]1CCC[C@H]1CC 1330649158 SYUWFIRVPJWAGT-OLZOCXBDSA-N 221.344 2.732 30 20 BFED C=C(C)CCC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 1335778482 QCUPXGVTQNFFLL-OCCSQVGLSA-N 234.343 2.931 30 20 BFED C=CCC[C@H]1CCCN1c1nnc(CCC)n1C 1339649697 QDFWVJYFLCBEOY-LBPRGKRZSA-N 248.374 2.703 30 20 BFED C#CCN(CC1CC1)C(=O)C(F)=C1CCCC1 1341077739 PSUQAPFATGSWDP-UHFFFAOYSA-N 235.302 2.656 30 20 BFED CC[C@@H](F)C(=O)O[C@@H](CC#N)c1ccco1 1346719789 GLFZMOKEVMJGQE-SCZZXKLOSA-N 225.219 2.526 30 20 BFED C=CCC(C)(C)CNC(=O)c1csc(C#N)c1 1347849724 IVOBUWORTARCLJ-UHFFFAOYSA-N 248.351 2.952 30 20 BFED Cc1ccc(C#N)cc1C(=O)OC1(C)CCC1 1357921557 WMKBTGZWQBFOKC-UHFFFAOYSA-N 229.279 2.966 30 20 BFED C=C1CCN(Cc2ccc(C(=O)O)c(C)c2)CC1 1573344399 WBTDVTVZYXAIJF-UHFFFAOYSA-N 245.322 2.845 30 20 BFED C=C(C)CCNC1(C(=O)O)CCC(CC)CC1 1588559276 LSPZPQCQOXVZLY-UHFFFAOYSA-N 239.359 2.966 30 20 BFED O=C(O)c1coc(/C=C\C(=O)c2ccsc2)c1 1602553321 DRUWMCKGRUNTMF-UPHRSURJSA-N 248.259 2.935 30 20 BFED C#CCCCN[C@@H](C)c1cc(C(=O)O)cs1 1609106911 XVHJRFISURRIRH-VIFPVBQESA-N 237.324 2.510 30 20 BFED C=C(Br)CNCC(C)(C)C 40493466 MASYIURVVXWBRG-UHFFFAOYSA-N 206.127 2.531 30 20 BFED CC[C@H](C)[C@H](C)NC[C@H](O)c1ccc(C#N)cc1 42554865 WMGHNIPRGVWDIH-HUBLWGQQSA-N 246.354 2.616 30 20 BFED C=C(Br)CN[C@H](C)[C@@H](C)CC 42555480 DDAOOLJXRFOARH-IONNQARKSA-N 220.154 2.919 30 20 BFED CN(CCOc1ccccc1C#N)CC(C)(C)C 45073529 SIRHJLOGWVVEKE-UHFFFAOYSA-N 246.354 2.915 30 20 BFED N#Cc1cc(Cl)ccc1NCc1cc[nH]n1 52857688 BMFYLJVGMJIAHS-UHFFFAOYSA-N 232.674 2.547 30 20 BFED C=C(C)CN1CCC[C@H]1c1cccn1C 57622281 GOLUWTXSIGMLGP-ZDUSSCGKSA-N 204.317 2.738 30 20 BFED C=CCOC(=O)CCc1nc2ccccc2s1 58800787 YROAAEOWXBCFOX-UHFFFAOYSA-N 247.319 2.958 30 20 BFED CC(C)CC(=O)N(C)c1cccc(C#N)c1 59095569 PHSMFTVMJUQVAU-UHFFFAOYSA-N 216.284 2.567 30 20 BFED CN(C(=O)CCc1ccsc1)C1(C#N)CCC1 67683604 QSMBDEFCMJPCIT-UHFFFAOYSA-N 248.351 2.585 30 20 BFED Cc1ccc(CN[C@H](C)CC#N)c(C)c1 68609663 PWUKMENUMQHUOX-GFCCVEGCSA-N 202.301 2.695 30 20 BFED C#CCCN[C@H](c1ccccc1)c1ccccn1 70197442 MFTYIWGJIRZWDD-MRXNPFEDSA-N 236.318 2.784 30 20 BFED C=CC[C@H](C)NC(=O)N1C[C@H](C)C[C@@H]1CC 73148785 NKTFVTPBONTNAM-WOPDTQHZSA-N 224.348 2.781 30 20 BFED N#CCCCC[S@@](=O)Cc1cccc(F)c1 78703696 DUKPXAZCYLUZCG-INIZCTEOSA-N 239.315 2.768 30 20 BFED Cc1c(F)cccc1NC(=O)N(C)CCC#N 85617362 ZONZMMNKTLZJEC-UHFFFAOYSA-N 235.262 2.512 30 20 BFED C=CCCOC(=O)[C@@H](C)Oc1cccc(C)c1 103650412 CBMWDZBSRKJECL-GFCCVEGCSA-N 234.295 2.882 30 20 BFED C#CCCOc1ccc(CN[C@@H](C)CC)cc1 113312388 BWWOXXBFTCYNKN-ZDUSSCGKSA-N 231.339 2.977 30 20 BFED C=CC[C@@H](C)NC(=O)N[C@H](C)c1cccc(O)c1 117049883 AIBIOQNNCOISMD-GHMZBOCLSA-N 248.326 2.717 30 20 BFED C=CCCCSc1n[nH]c(-c2ccccn2)n1 117555062 WDTYYKGGPNSVPD-UHFFFAOYSA-N 246.339 2.925 30 20 BFED C#CCCCCC(=O)NCc1cc(C(C)C)no1 120152439 TUFYYKYUHSJSJX-UHFFFAOYSA-N 248.326 2.608 30 20 BFED CCSCCN(CC#N)C1CCCC1 121801039 UJVYTHDWNQFDFY-UHFFFAOYSA-N 212.362 2.508 30 20 BFED Cc1ccccc1NC(=O)C1(C#N)CC(C)C1 122304841 JVXNYPNVQXBSRR-UHFFFAOYSA-N 228.295 2.873 30 20 BFED C=C(Cl)CNC(=O)c1cc2ccccc2[nH]1 124619117 LZVYHNXUMITSLQ-UHFFFAOYSA-N 234.686 2.650 30 20 BFED N#Cc1ccc(Sc2cccc(O)c2)nc1 126663288 NXROWAIWMVOLQH-UHFFFAOYSA-N 228.276 2.810 30 20 BFED CN(CCC#N)Cc1ccccc1C(C)(C)C#N 135270150 DFYXEHCACMAWDB-UHFFFAOYSA-N 241.338 2.833 30 20 BFED N#CCC[C@@H](C#N)COc1ccccc1 152654898 FQZBIMFOKZPJRI-NSHDSACASA-N 200.241 2.509 30 20 BFED C=CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 153233843 BPNNCHZGAGGQMF-UHFFFAOYSA-N 232.283 2.745 30 20 BFED C=C[C@H](C)NC(=O)C[C@@H](C)c1ccc(OC)cc1 154148594 MVEWNRXOGGGYNF-NEPJUHHUSA-N 247.338 2.880 30 20 BFED CC#CCCSc1nnc(NCCC)s1 155149714 GRBAYLIZPBOIGG-UHFFFAOYSA-N 241.385 2.866 30 20 BFED CC#CCCSc1nnc(C2CC2)s1 155304105 XNUNGUAFHDKGNO-UHFFFAOYSA-N 224.354 2.921 30 20 BFED C=C(C)CN(CC)[C@H](C)C(=O)OCCCC 158275655 CKVMXZWIXDBRCK-GFCCVEGCSA-N 227.348 2.616 30 20 BFED CC[C@H]1CCN(C(=O)C(C#N)(CC)CC)C1 159702042 VXLXQGADHSKVRR-NSHDSACASA-N 222.332 2.575 30 20 BFED C=C(C)CNC(=O)[C@@H](C)c1cccc(F)c1 161174620 NSBRABVJNABPBP-JTQLQIEISA-N 221.275 2.622 30 20 BFED C#CCSCCN[C@H]1CCC[C@H](CC)C1 164642068 OSKYSCYWRHXRTJ-STQMWFEESA-N 225.401 2.911 30 20 BFED C=C(C)CN(C)C(=O)Nc1cccc(C(C)=O)c1 165887268 BBWVVODBGMWJFZ-UHFFFAOYSA-N 246.310 2.929 30 20 BFED CC[C@@H](C#N)NC(=O)/C=C(\C)c1ccccc1 171005315 MTJGXUMNSVUNBD-STRFDMGBSA-N 228.295 2.508 30 20 BFED CCOc1cccc(/C=N/CCCCC#N)c1O 171417187 RPHAPXGYUYCVJZ-LFIBNONCSA-N 246.310 2.904 30 20 BFED C=CCCC(=O)N1CCC[C@@H]2CCC[C@@H]21 174280945 JGFQSUYYKDFAIN-RYUDHWBXSA-N 207.317 2.744 30 20 BFED N#C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CC1)C1CCCCC1 176385948 YPMDDSGNIGXYBJ-MCIONIFRSA-N 246.354 2.621 30 20 BFED C[C@H]1CCC[C@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 181202030 YYJLCPHVYYPZNA-GWCFXTLKSA-N 245.326 2.537 30 20 BFED C[C@H]1C[C@H](Nc2ccc(C#N)nn2)CC[C@H]1C 182656364 AVKJWPGJHUKWRK-OUAUKWLOSA-N 230.315 2.585 30 20 BFED CC#CCN[C@@H]1CCCC[C@@H]1SCC 189524724 YSEVMGFXHHKAGX-NEPJUHHUSA-N 211.374 2.664 30 20 BFED C=CCC[C@@H](C)NCCCOC(F)F 194041980 BSQLZMSPUYCOHP-SECBINFHSA-N 207.264 2.560 30 20 BFED CCOCCN(C)[C@H](C)c1ccc(C#N)cc1 194541344 PJIMTBNFXBVUJR-GFCCVEGCSA-N 232.327 2.588 30 20 BFED Cc1cnccc1CNc1snc(C)c1C#N 228728643 AJMDIOYUEMWYEK-UHFFFAOYSA-N 244.323 2.639 30 20 BFED CC#CCCNC(=O)c1scc(C)c1Cl 232459077 SRGRWUYXYIYTQU-UHFFFAOYSA-N 241.743 2.853 30 20 BFED CCC(C)(C)CNc1ncccc1C#N 233045106 PJLCLPGJCLMGGR-UHFFFAOYSA-N 203.289 2.801 30 20 BFED C#C[C@@H](CC)NC(=O)c1cc(Cl)ccc1F 233895202 XUIWYCVOXPOUDK-VIFPVBQESA-N 239.677 2.621 30 20 BFED C#C[C@H](CC)NC(=O)c1c(C)cc(C)cc1C 234051060 SMYWHDJGUPJNIG-CYBMUJFWSA-N 229.323 2.753 30 20 BFED CC[C@@]1(C)CCCN(C[C@@H](C#N)CCC#N)C1 247356649 HAFWQJSKGBQQFH-KGLIPLIRSA-N 233.359 2.942 30 20 BFED C=CCC[C@H](O)CN[C@@H]1[C@@H](C)CCC[C@H]1C 248591653 RLODQVMJEYXMGV-RFQIPJPRSA-N 225.376 2.728 30 20 BFED CN(CC#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 250454997 WJRZELKTORGTQU-FRRDWIJNSA-N 234.343 2.575 30 20 BFED C=C1CCN(C(=O)/C=C/c2cccs2)CC1 264127533 GBAFIWIXPAXBCA-SNAWJCMRSA-N 233.336 2.940 30 20 BFED CC[C@H]1CN(c2ccc(C#N)cc2F)C[C@H](C)O1 264796050 TWIOTTAHTIIRIF-JQWIXIFHSA-N 248.301 2.701 30 20 BFED C=C1CCN(C(=O)c2cc(C(C)(C)C)on2)CC1 266142126 OXOIBFCREMDOQW-UHFFFAOYSA-N 248.326 2.764 30 20 BFED C[C@@H]1CCN(C(=O)C#Cc2ccccc2)C[C@@H]1C 270922832 FKVCSNQBVFKSOI-KGLIPLIRSA-N 241.334 2.543 30 20 BFED C[C@H](CC/N=C(\N)N(C)C1CC1)c1ccccc1 273385369 YKGSLSVGXVWIDQ-GFCCVEGCSA-N 245.370 2.589 30 20 BFED C=CCN(CCc1ccco1)C[C@H]1CC[C@@H](C)O1 276389937 ICAJFYKWGYRDLM-UKRRQHHQSA-N 249.354 2.878 30 20 BFED C=CC[C@H](C)N[C@@H](C(=O)OC)c1ccsc1 278575327 BGIPBXRGVPVTGU-GXSJLCMTSA-N 239.340 2.516 30 20 BFED C#CCN(CC)Cc1ncc(C(C)(C)C)s1 279884538 SBTLMTPCNYXPJP-UHFFFAOYSA-N 236.384 2.896 30 20 BFED C=CC[C@H](CC)NC(=O)N(C)Cc1ccco1 281392962 PEKKZONNLCWFQN-NSHDSACASA-N 236.315 2.776 30 20 BFED COc1ccc(CN[C@@H]2CCC2(C)C)cc1C#N 284421055 QUCHABNLMLIKCA-CQSZACIVSA-N 244.338 2.845 30 20 BFED C[C@H]1CCCN1c1nc(Cl)c(C#N)s1 288357986 KODALDDNNKCBBH-LURJTMIESA-N 227.720 2.657 30 20 BFED C=C[C@@H](CO)N[C@H](C)CC(C)(C)c1ccccc1 289864148 RDTPSCQNAGLXTP-HIFRSBDPSA-N 247.382 2.879 30 20 BFED C=CCN(CC=C)c1nnc(C(C)(C)C)n1CC 290861670 DPDYUZDTMWUVMO-UHFFFAOYSA-N 248.374 2.774 30 20 BFED C#C[C@H](NC(=O)Nc1ccc(C)cc1F)C(C)C 294117864 DUSYGNONQSRFES-LBPRGKRZSA-N 248.301 2.913 30 20 BFED C=CCCc1noc(COC(C)(C)C)n1 297355315 PJCXNKYAZAYAHS-UHFFFAOYSA-N 210.277 2.503 30 20 BFED CC/C(C)=C/C(=O)N1CCc2ccc(C#N)cc21 297643851 XXOPZFVHKUPTEN-DHZHZOJOSA-N 240.306 2.804 30 20 BFED C[C@H](CCC#N)N1CCC[C@H](c2ccncc2)C1 298497193 JWFZFMAGGDLZCB-HIFRSBDPSA-N 243.354 2.953 30 20 BFED CC(C)CC1CCN(c2ccc(C#N)nn2)CC1 301913407 CNLOCHSNPAUJKM-UHFFFAOYSA-N 244.342 2.611 30 20 BFED CC[C@H](C)N/C(N)=N/C[C@H]1CCCC[C@@H]1C 303251908 ARZXFNQXUSOPRT-SDDRHHMPSA-N 225.380 2.516 30 20 BFED C[C@@H](C#N)CN(C)C[C@H]1CCCC(F)(F)C1 304175214 JINNPRZIZNASQW-QWRGUYRKSA-N 230.302 2.903 30 20 BFED C=C[C@H](NCc1ccc(C(C)C)cc1)C(=O)O 304223515 XCWABQQSGYMWMO-ZDUSSCGKSA-N 233.311 2.539 30 20 BFED Cc1cc(C#N)cc(NC(=O)CC2CC2)c1 308238455 XCNZQKZTKJGFHJ-UHFFFAOYSA-N 214.268 2.605 30 20 BFED C#CCN(CC)Cc1ccsc1Cl 308285684 BTUJKECSJCZTCX-UHFFFAOYSA-N 213.733 2.857 30 20 BFED C=C[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 309806977 SKRVSULIMVLUOG-QMMMGPOBSA-N 240.690 2.912 30 20 BFED C=CCC[C@H](CO)NCc1cc(C)cc(C)c1 320678183 UKFZILICVSMYCS-OAHLLOKOSA-N 233.355 2.720 30 20 BFED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)CC(C)(C)C#N 334383674 LEVGMTQRJSHVLO-PJXYFTJBSA-N 236.359 2.867 30 20 BFED CCC1CCC(N(C)C(=O)[C@]2(C#N)C[C@H]2C)CC1 334511937 DACMTKQDKBOECJ-LPXQKFACSA-N 248.370 2.963 30 20 BFED CC1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 334670766 BSVULHWJDGLPCN-HNNXBMFYSA-N 246.354 2.719 30 20 BFED CC(C)c1ccsc1C(=O)N(C)[C@H](C)C#N 335346934 QPUUEOWTQOUYNE-SECBINFHSA-N 236.340 2.856 30 20 BFED C=CCn1cccc1C(=O)N1CC[C@H]2CCC[C@@H]21 335694192 UCOKRIXZSPUZHW-OLZOCXBDSA-N 244.338 2.689 30 20 BFED C[C@@H]1CC=CC[C@H]1C(=O)N(C)CC(C)(C)C#N 335975767 QMLBBCCQICWSOZ-VXGBXAGGSA-N 234.343 2.597 30 20 BFED N#Cc1cccc(C(=O)N2CC3(CCCC3)C2)c1 336118794 MUPYBLOYMCPZLA-UHFFFAOYSA-N 240.306 2.574 30 20 BFED Cc1cc(F)ccc1NC(=O)[C@@]1(C#N)C[C@@H]1C 336233169 UTRCRSJTFXGFCA-TVQRCGJNSA-N 232.258 2.622 30 20 BFED C=CCNC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 337486558 ZUPIVBCFILUJGC-JTNHKYCSSA-N 236.359 2.686 30 20 BFED C[C@H](F)CCNc1nccc(C#N)c1Cl 338748144 BRLASEPWDYJPCG-ZETCQYMHSA-N 227.670 2.767 30 20 BFED C=CCCOCCNC(=O)[C@H](C)C(CC)CC 341767533 NVBADKBHWRJYQW-GFCCVEGCSA-N 241.375 2.768 30 20 BFED C[C@H](C#N)CN(C(=O)[C@H]1CC=CC[C@H]1C)C1CC1 342512193 XUPLKQLPDBAJQZ-BZPMIXESSA-N 246.354 2.739 30 20 BFED CCN(C[C@H](C)C#N)C(=O)[C@@H]1CC=CC[C@@H]1C 342515038 VOELMNXTAVXURL-FRRDWIJNSA-N 234.343 2.597 30 20 BFED CC(C)Nc1ccc(F)cc1NC(=O)[C@@H](C)C#N 347303874 NZOGROABVSTXFR-VIFPVBQESA-N 249.289 2.744 30 20 BFED C=CCOCCCN1C[C@H](C)C[C@@H](C)[C@H]1C 348166540 GVSFYVBCSULRTM-MGPQQGTHSA-N 225.376 2.946 30 20 BFED C=C[C@@](C)(CC)C(=O)NCCC(O)(CC)CC 349877558 IKFYSCAOQBEPCO-ZDUSSCGKSA-N 241.375 2.646 30 20 BFED C=CCCc1noc(-c2cnc(CC)s2)n1 351130311 MNPAFXMNNPGUEE-UHFFFAOYSA-N 235.312 2.874 30 20 BFED C=CCC[C@H](O)CN(CCCC)C1CC1 351606992 GCGCIDYZSUYUML-ZDUSSCGKSA-N 211.349 2.578 30 20 BFED C=CC[C@@H](C)[C@H](C)NCC1(C(=O)OCC)CC1 351941411 QVTNWGIAHASDCQ-NEPJUHHUSA-N 239.359 2.520 30 20 BFED C=CCCO[C@H](C)C(=O)N1CC(CC)(CC)C1 355872699 KFXHAOGEDMTQEO-GFCCVEGCSA-N 239.359 2.616 30 20 BFED C=CCCCN1CCN2CCOc3cccc1c32 357089292 UIRYMVRMDMUBOV-UHFFFAOYSA-N 244.338 2.672 30 20 BFED C=C[C@@H](CO)Nc1ncc(-c2ccccc2)s1 357593737 IJTJAPUXFVBYIM-NSHDSACASA-N 246.335 2.769 30 20 BFED CC1(C)CC[C@@H](C(=O)N(CCC#N)CC2CC2)C1 358984003 QTLQCWVBUKBHGS-CYBMUJFWSA-N 248.370 2.965 30 20 BFED C=CC[C@H](CO)CNCc1cccc(CCC)c1 358985973 KYIPNXGGFOTEAY-INIZCTEOSA-N 247.382 2.913 30 20 BFED C=C[C@H](C)NC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 362370120 KCWYBGHYLSZGIJ-TVYUQYBPSA-N 248.301 2.555 30 20 BFED C=C(C)CCN[C@@H]1CCc2cccnc21 386931031 TXAUMEFTMMLMLA-GFCCVEGCSA-N 202.301 2.625 30 20 BFED Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)c(C)o1 390459389 FEQNHLGYTGBZNA-WCQYABFASA-N 218.300 2.678 30 20 BFED Cc1cc(=N[C@H](C2CCC2)C2CC2)c(C#N)c[nH]1 399467277 UECMTSJJIMKOKL-OAHLLOKOSA-N 241.338 2.674 30 20 BFED N#Cc1ccc(OCC[C@@H]2CCOC2)c(F)c1 400997530 LCPVBEVLXCOUJV-JTQLQIEISA-N 235.258 2.503 30 20 BFED C#C[C@](C)(CC)NCc1cc(C)nc(Cl)c1 401843354 VGCNCVXGSUVYLU-CYBMUJFWSA-N 236.746 2.935 30 20 BFED C=C[C@@H]1OCCC[C@H]1N[C@H](CC)[C@H]1C[C@H]1C 414158103 YXONPQXCKDBZIE-ITGHMWBKSA-N 223.360 2.744 30 20 BFED C=CCOCCSCCC1(OC)CCC1 419527853 VZBJJMGLLXERSN-UHFFFAOYSA-N 230.373 2.881 30 20 BFED CC#CCN1CCC[C@@H](c2ccccc2)C1 433054586 VFGCVQNSNUZQIK-OAHLLOKOSA-N 213.324 2.889 30 20 BFED C=C(C)CCNC(=O)c1ccc(C)c(OC)c1 448551288 ZYMYETWRWPQVTG-UHFFFAOYSA-N 233.311 2.700 30 20 BFED CCCN(CC#N)C(=O)CCCC(C)C 448762886 GLVCPFPLIGEBGJ-UHFFFAOYSA-N 210.321 2.575 30 20 BFED CCC[C@H]1CCC[C@H]1C(=O)N(CC#N)C1CC1 448788683 ULUMRCGFRIJZJQ-WCQYABFASA-N 234.343 2.717 30 20 BFED C[C@@H]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)[C@@H]1C 450039602 FTJLDGWMANQJLI-LALPHHSUSA-N 246.354 2.717 30 20 BFED CCCC1(CNC(=O)[C@]2(C#N)C[C@H]2C)CCC1 450102352 QTQKUTNCSAMZFF-RISCZKNCSA-N 234.343 2.623 30 20 BFED CCC[C@@H]1CCCN(C(=O)[C@]2(C#N)C[C@@H]2C)C1 450106036 QZZJKHFUCQUCFB-SCRDCRAPSA-N 234.343 2.575 30 20 BFED CC#CCNC(=O)C1=C(C)CC(C)(C)CC1 450301552 UFVDPPPZRFODNY-UHFFFAOYSA-N 219.328 2.653 30 20 BFED N#C[C@@H]1CC[C@H](Sc2ccc([N+](=O)[O-])cn2)C1 450892911 QPBMOLMDEDSIHB-SCZZXKLOSA-N 249.295 2.774 30 20 BFED C=CC[C@@H](CC)NC(=O)CCCC(=O)C1CC1 451419070 KMANQDNMKRJIPP-GFCCVEGCSA-N 237.343 2.607 30 20 BFED C=CCCO[C@@H](C)C(=O)NC1(CC)CCCC1 452971697 IBSZRONZLVFMFS-LBPRGKRZSA-N 239.359 2.807 30 20 BFED C=CCCCC[C@@H](C)NC[C@@H](C)CN(C)C 453227038 CEQCOLJTVBFTEX-ZIAGYGMSSA-N 226.408 2.909 30 20 BFED C=C(CC)CNC(=O)N1CCC[C@@H]1C(C)C 455521336 KRVHVBXZSWYVOH-GFCCVEGCSA-N 224.348 2.783 30 20 BFED C=C(CC)CNC(=O)C1(C(F)(F)F)CCC1 456862924 YNBISPAFLJYUHK-UHFFFAOYSA-N 235.249 2.801 30 20 BFED C=CCCCNC(=O)c1cncc(Cl)c1C 457765559 NBMXUUCSORSQLV-UHFFFAOYSA-N 238.718 2.739 30 20 BFED CC#CCCNC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 483419990 MFCMKGFWSCCIMH-IHRRRGAJSA-N 248.370 2.620 30 20 BFED C=CCn1cccc1C(=O)N(CC)CC(C)C 488368857 RKJXONOGMJKRGT-UHFFFAOYSA-N 234.343 2.792 30 20 BFED C#C[C@@H](C)N(C)Cc1ncc(-c2cccs2)o1 491404601 CTYQJJKZYBEVBV-SNVBAGLBSA-N 246.335 2.857 30 20 BFED N#C[C@H]1CC[C@@H](NC(=O)/C=C/C2CCCC2)C1 493460428 SQNAJGSXQASREE-FRNKVXGRSA-N 232.327 2.541 30 20 BFED Cc1nc(CSc2cccnc2C#N)oc1C 518396994 LMGHPVFYHFGSQE-UHFFFAOYSA-N 245.307 2.850 30 20 BFED C=CC[C@H](C)NC(=O)N1CCC(F)(F)C[C@@H]1C 527766040 WMRSHCNREZYYRN-UWVGGRQHSA-N 246.301 2.780 30 20 BFED C=CCCc1noc([C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)n1 528205289 FIGCDSIUHYGVRW-GMOBBJLQSA-N 236.315 2.715 30 20 BFED C=CC1CCN(C(=O)[C@@H]2[C@H](C)[C@H]2C2CC2)CC1 528522570 SLIDYPHTXGXQIN-DDTOSNHZSA-N 233.355 2.703 30 20 BFED C=CCC(CC=C)C(=O)N[C@H](C#N)CCC 531570195 QUOOHTJRRBLUOK-LBPRGKRZSA-N 220.316 2.563 30 20 BFED C=CCCCCN(C1CCC1)[C@H](C)C(=O)O 578381441 XUAJMTUBPUSUHU-LLVKDONJSA-N 225.332 2.670 30 20 BFED C#C[C@@H](C)NC(=O)/C(C)=C\c1cccc(Cl)c1 588512773 FEDKRFXMCWXSIB-HIJJYWJESA-N 247.725 2.881 30 20 BFED CCCc1ccccc1NC(=O)N1CC(C#N)C1 590105366 WHHGHJNZNJXQST-UHFFFAOYSA-N 243.310 2.626 30 20 BFED CC[C@@H](C)[C@@H]1CCCCN1c1cncc(C#N)n1 591460115 WPNRLTGOZSWMCG-YPMHNXCESA-N 244.342 2.753 30 20 BFED COC(=O)c1ccccc1NCC1(CC#N)CC1 594702210 ZJYSNJWRORWOCH-UHFFFAOYSA-N 244.294 2.579 30 20 BFED C=CCCSCCN[C@@H]1CCO[C@H](CC)C1 594960239 NUPRLKQIQDLEAL-CHWSQXEVSA-N 243.416 2.843 30 20 BFED N#C[C@H]1CCC[C@H](NCCCc2ccco2)C1 595093881 PCOUEXGDKHDGGT-STQMWFEESA-N 232.327 2.884 30 20 BFED CCc1noc(C)c1CN1CCC[C@@H](CC#N)C1 595617429 VXTSZBGLEIYEFF-LBPRGKRZSA-N 247.342 2.671 30 20 BFED CCN(Cc1cc(C)ccc1OC)[C@@H](C)C#N 595812504 LZVZNIIGUGRTDC-LBPRGKRZSA-N 232.327 2.738 30 20 BFED CCN(Cc1ccc(C)c(OC)c1)[C@@H](C)C#N 595821623 XKVSFIRQAAIAJB-LBPRGKRZSA-N 232.327 2.738 30 20 BFED N#Cc1ccc(=N[C@@H]2CC[C@@H]2c2ccccc2)[nH]c1 596498705 NNKBGIBSTYCNDK-HUUCEWRRSA-N 249.317 2.733 30 20 BFED Cc1ccc2oc(CNC(=O)[C@@H](C)C#N)cc2c1 598203808 GJNFYZXGSULLGJ-JTQLQIEISA-N 242.278 2.517 30 20 BFED CC(C)(C#N)CCOc1ccc2c(c1)CCO2 601925713 RRGMUJIYQPBQJJ-UHFFFAOYSA-N 231.295 2.940 30 20 BFED CC1=NN(CCC(C)(C)C)C(=O)[C@@H]1CCC#N 601958377 MZBPIQDYWXMGAA-LLVKDONJSA-N 235.331 2.561 30 20 BFED C[C@H](O)C[C@H]1CCCCN1C[C@H](C)CCC#N 602642231 BCXVUDAERZWLEA-HZSPNIEDSA-N 238.375 2.552 30 20 BFED C[C@@H](CCC#N)CN[C@@H](C)Cc1ccccn1 602705170 LYDYJGVXXSWSTB-STQMWFEESA-N 231.343 2.542 30 20 BFED C[C@@H](CCN[C@H](C)CC#N)OCc1ccccc1 602868495 BUIYSJARFSNYIK-KGLIPLIRSA-N 246.354 2.874 30 20 BFED Cc1nc(N2CCC[C@](C)(C#N)C2)sc1C 612107599 SMXIBJQLMZBVIJ-GFCCVEGCSA-N 235.356 2.890 30 20 BFED C=CCCC[C@H](C)NC(=O)c1ccnn1CCC 613270770 DJJNDBBNQLYWQW-LBPRGKRZSA-N 249.358 2.768 30 20 BFED C=CCCN1CCOc2cc(F)ccc2C1 626151980 ADKLECLWPAQNMH-UHFFFAOYSA-N 221.275 2.596 30 20 BFED C=C[C@H](C)N[C@H](c1nc[nH]n1)C1CCCCC1 638750368 SSRUGOARIZNDJX-JQWIXIFHSA-N 234.347 2.590 30 20 BFED C=CCCCCCn1cc([C@@H](N)C(C)C)nn1 641044172 GVPZBMUNSISEOX-ZDUSSCGKSA-N 236.363 2.680 30 20 BFED C=CCC[C@H](NCCCNCC)c1ccco1 643499035 NPBGMLJTFXQAHS-ZDUSSCGKSA-N 236.359 2.876 30 20 BFED C=CCOCCNC1CCc2ccccc2CC1 651322034 ZTIUMHRTXTVOJU-UHFFFAOYSA-N 245.366 2.726 30 20 BFED C=C(C)CN1CC[C@H](C(=O)O)[C@H]2CCCC[C@@H]21 656762446 AUHDTNKZHQUMNU-AGIUHOORSA-N 237.343 2.528 30 20 BFED C=CCCC[C@H](C)NCc1cnc2n1CCC2 657428317 HWKGUIAGKGEYFH-LBPRGKRZSA-N 233.359 2.664 30 20 BFED C=CC(C)(C)CNC(=O)N(C)C[C@@H]1CC1(C)C 661268785 IMVFYBPILZRCDE-NSHDSACASA-N 238.375 2.886 30 20 BFED C=CC[C@@H](CC)NC(=O)CCCc1ccccn1 684938963 JVUPWHPBLSVSJP-CYBMUJFWSA-N 246.354 2.875 30 20 BFED C=CCC1(C(=O)Nc2ccnc(OC)c2)CCC1 685113660 BNHARZLNJAIMAD-UHFFFAOYSA-N 246.310 2.775 30 20 BFED N#Cc1ccc(Cl)cc1N1CCC[C@H](C#N)C1 693947021 JBSAETUFMZIQOS-SNVBAGLBSA-N 245.713 2.952 30 20 BFED CCCCCCCNc1cc(C#N)ncn1 703737389 FAYYUNSHKPCRAC-UHFFFAOYSA-N 218.304 2.731 30 20 BFED CCCCCCCN[C@@H](C)C[C@@H]1CCC(=O)N1 703745543 ZRKCMQSFXKJRKF-STQMWFEESA-N 240.391 2.604 30 20 BFED CC(=NNc1ccc(C)nn1)c1ccc(C)s1 729935477 AMTCRSYTIYOCEP-UHFFFAOYSA-N 246.339 2.991 30 20 BFED C=CC[C@H](C)NC(=S)N[C@@H]1CCCC[C@@H]1C 734987223 PMVVARDQNUDXBD-SDDRHHMPSA-N 240.416 2.994 30 20 BFED N#Cc1ccc(OCCCON=C2CCC2)cc1 735489851 GVLNMSZMWGXLRI-UHFFFAOYSA-N 244.294 2.884 30 20 BFED C=CCCCOC(=O)[C@@H](C)N1[C@@H](C)CC[C@H]1C 741022212 RIWJFMSAROXQFW-FRRDWIJNSA-N 239.359 2.757 30 20 BFED C#CCOCCN[C@@H](C)c1cccc(C)c1C 753767812 MLMWZBPAIBRAHP-AWEZNQCLSA-N 231.339 2.604 30 20 BFED C=C(C)[C@@H](CC(=O)OC/C=C\Cl)OCC 756470120 DJXZOGSDJZNPFC-WWQCOOJYSA-N 232.707 2.653 30 20 BFED CC[C@H]1CC(=NNc2cc(C)ccn2)CCO1 756827593 PVZCQJAXROOSEI-LBPRGKRZSA-N 233.315 2.747 30 20 BFED CCCCCC=NNc1ncc(F)cn1 760253470 DUMLFRGEIBORSU-UHFFFAOYSA-N 210.256 2.594 30 20 BFED C#CCCOC(=O)c1cc2cc(C)ccc2[nH]1 765407502 CRWKKHBNLYLQAF-UHFFFAOYSA-N 227.263 2.656 30 20 BFED C#C[C@H](C)NC(=O)CCCC[C@H](C)CC 772983101 CKUXCZGFGNKOCW-NEPJUHHUSA-N 209.333 2.731 30 20 BFED C[C@H]1CC[C@@H](CC(=O)OCC2(C#N)CC2)C1 775865941 PABNCKBAZMFFHS-WDEREUQCSA-N 221.300 2.660 30 20 BFED C/C(=C\C(=O)OCCC(C)(C)C#N)C1CC1 776380521 KECANRHAWXNWCD-CSKARUKUSA-N 221.300 2.826 30 20 BFED CCCCC(CC)=NN[C@@H](C)COC 777901246 BTTPUYZUFHGSCA-JTQLQIEISA-N 200.326 2.567 30 20 BFED CCC(C[C@@H](C)CC)=NN[C@H](C)COC 777903138 XTMQNNJQJUPKHO-WDEREUQCSA-N 214.353 2.813 30 20 BFED CCC(=NNc1ccc(OC)cn1)C(C)C 780267215 ICFNDYWARQJSNE-UHFFFAOYSA-N 221.304 2.924 30 20 BFED Cc1cc(O)nc(NN=C2CC[C@H](C)C[C@@H]2C)n1 783771900 OCJIQELXCJTKDM-IUCAKERBSA-N 248.330 2.715 30 20 BFED COC1(C=NNc2ccc(C#N)cc2)CCCC1 790157543 FMGUITMMCOMJED-UHFFFAOYSA-N 243.310 2.915 30 20 BFED CC(C)OCCNN=Cc1ccsc1Cl 790174640 UUFBDRCRAWRRDZ-UHFFFAOYSA-N 246.763 2.750 30 20 BFED C#C[C@@H](CCC)NC(=O)/C=C(\C)C(C)(C)C 791749221 AZZSCNWIGCJERD-IIANPFDCSA-N 221.344 2.897 30 20 BFED CC[C@@H](C)CON=Cc1cnn(C(C)C)c1 793158018 DASRFALLCQAFBY-LLVKDONJSA-N 223.320 2.861 30 20 BFED CC[C@](C)(C#N)C(=O)OC[C@@H]1C[C@H]2CC[C@H]1C2 796918985 KKABZAWHDCHVEB-ZJQBRPOHSA-N 235.327 2.906 30 20 BFED CC(=NNCC(C)(C)CO)c1cc(C)ccc1C 799114047 PKZHIJGNKCAGSZ-UHFFFAOYSA-N 248.370 2.636 30 20 BFED Cc1ccc(C(=O)N(C(C)C)C2CC2)cc1C#N 799303958 PIBUFAGKCJAPOL-UHFFFAOYSA-N 242.322 2.880 30 20 BFED c1ccc(CNN=C2CCC23CCOCC3)cc1 799870093 CJOCGVDMLXUXEY-UHFFFAOYSA-N 244.338 2.723 30 20 BFED C=C[C@@](C)(CC)C(=O)OCCCN1CCCC1 800212123 TZZNVPODWKJYRL-AWEZNQCLSA-N 239.359 2.618 30 20 BFED C[C@H](C=NN=c1cc[nH]cc1)C(C)(C)C 800815729 LESXCHCHMHAWIM-SNVBAGLBSA-N 205.305 2.583 30 20 BFED C=C(C)CCOC(=O)c1cc(F)ccc1O 803376252 WWUZJSMHWWRGMY-UHFFFAOYSA-N 224.231 2.654 30 20 BFED CC(C)c1[nH]ccc1C(=O)OCCCCC#N 803779673 DHZBYGKATZXCCE-UHFFFAOYSA-N 234.299 2.989 30 20 BFED C#C[C@H](C)NC(=O)Nc1cc(F)ccc1Cl 806255031 ANHROUZUXUWTSO-ZETCQYMHSA-N 240.665 2.622 30 20 BFED C#C[C@@H](NCc1ccccc1N(C)C)C(C)C 809685331 OAONLAGPIUFIQG-CQSZACIVSA-N 230.355 2.500 30 20 BFED C=CCCCCOC(=O)C1(COC)CCC1 811013359 RHSCGYOINPGIIC-UHFFFAOYSA-N 226.316 2.703 30 20 BFED C#CCON=C[C@H](C)Cc1ccc(OC)c(F)c1 812233923 IKTGCZYZNZUDLX-LLVKDONJSA-N 249.285 2.649 30 20 BFED CCC(CC)NN=C1COc2cc(F)ccc21 814851613 REGRCLMEKYBSHL-UHFFFAOYSA-N 236.290 2.700 30 20 BFED CSCCCC=NN1Cc2ccccc2C1=O 814902337 KQRFOCLCSZGRFI-UHFFFAOYSA-N 248.351 2.771 30 20 BFED C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C(C)=O 821015810 SJPKHPFQIOMLCS-CHWSQXEVSA-N 237.343 2.559 30 20 BFED C#Cc1cccc(CN[C@@H](CC)C2CC2)c1 834902299 GUVPIECBLTVHCJ-HNNXBMFYSA-N 213.324 2.946 30 20 BFED CSCCON=C1CCC(C)(C#N)CC1 834975719 QVIBUAPVZLNXNW-UHFFFAOYSA-N 226.345 2.826 30 20 BFED C[C@H](C#N)COC(=O)c1cc2ccncc2s1 835238886 SPMXLVZMSIYQTD-MRVPVSSYSA-N 246.291 2.613 30 20 BFED C#Cc1cccc(CNC(=O)C=C2CCCC2)c1 837106116 LEXQUJHDAWXQMM-UHFFFAOYSA-N 239.318 2.785 30 20 BFED C[C@H](NC(=O)C#CC(C)(C)C)[C@H]1C[C@H]2CC[C@H]1C2 837306679 DXRSKZRTRXOWIS-XDQVBPFNSA-N 247.382 2.977 30 20 BFED C[C@@H]1c2ccccc2CCN1C(=O)C#CC1CC1 837400266 HMRITMRSJNJBCO-GFCCVEGCSA-N 239.318 2.546 30 20 BFED C#CCC[C@@H](C)OC(=O)c1conc1C1CC1 839042807 YESTVTGGIVLSJE-SECBINFHSA-N 233.267 2.511 30 20 BFED Cc1cc(C)c(O)c(CN(C)CC(C)(C)C#N)c1 840073750 NSZLWCHOIZWQGL-UHFFFAOYSA-N 246.354 2.991 30 20 BFED COc1ccc(O)c(/C=N/[C@H]2CC2(C)C)c1 840712118 WBVCBKDTMNFTTN-ACLQVGRQSA-N 219.284 2.618 30 20 BFED C=CC(C)(C)C(=O)N(C)c1ccc(Cl)nc1 841206269 CZBDDMXJMNBNEB-UHFFFAOYSA-N 238.718 2.910 30 20 BFED C#C[C@H](CCC)NC(=O)N1CC[C@H](C2CCC2)C1 841579787 AXBUXQFUZUYWMT-UONOGXRCSA-N 248.370 2.620 30 20 BFED CC[C@@H](CON=Cc1cccc(F)c1)OC 842018714 GJBJYSQOEFEBGM-LBPRGKRZSA-N 225.263 2.601 30 20 BFED C#CCCCCCC(=O)OC[C@@H](CC)OC 842090260 YMIMGSHVGTUZKY-GFCCVEGCSA-N 226.316 2.538 30 20 BFED Cc1ccc(F)c(NN=C2CO[C@H](C)C2)c1 842528161 QIMIIDYPJXRWBR-SECBINFHSA-N 222.263 2.711 30 20 BFED CC(C)[C@@H]1CCCCC1=NN(C)[C@@H](C)CO 842541756 KDPWVWVCEYTTDB-RYUDHWBXSA-N 226.364 2.501 30 20 BFED C=C[C@@H](C)ONC(=O)Nc1cccc(C)c1 844479266 KDLRMIYXIXURBT-SNVBAGLBSA-N 220.272 2.623 30 20 BFED C=C[C@@](C)(CC)C(=O)OCc1ccn(CC)n1 844750149 XEKFVQUBFQMCBJ-ZDUSSCGKSA-N 236.315 2.549 30 20 BFED C=C(C)CONC(=O)CCc1ccc(CC)cc1 846540491 XTNWMOTYRMGFON-UHFFFAOYSA-N 247.338 2.806 30 20 BFED C=CCCSC1CCC2(CC1)OCCO2 849940028 GZQXJQKUDCVEMO-UHFFFAOYSA-N 228.357 2.981 30 20 BFED Cc1ccoc1CC(=O)O[C@H](C)C(C)(C)C#N 850906344 IVWXBEXXMDWQPT-SNVBAGLBSA-N 235.283 2.612 30 20 BFED C#CCOCCN[C@@](C)(CC)c1ccccc1 851901951 NSZAELJHTPIKDB-HNNXBMFYSA-N 231.339 2.551 30 20 BFED C#CCCN(CCOC)C[C@@H](C)c1ccccc1 852751714 KCPAAHIRTKYECC-OAHLLOKOSA-N 245.366 2.762 30 20 BFED CC1(C)C(=NN[C@@H]2CCSC2)[C@H]2CCC[C@H]21 853346323 XKYRBUAJQNDHLS-OUAUKWLOSA-N 238.400 2.894 30 20 BFED CCOc1ccc(NN=C2COC[C@@H]2CC)cc1 853352259 NQXVZYLRRWXXKM-NSHDSACASA-N 248.326 2.910 30 20 BFED C(=NOCCCOc1ccccc1)C1CC1 853735263 QYIIPQAMEISZQU-UHFFFAOYSA-N 219.284 2.868 30 20 BFED CC(C)C#CC(=O)Nc1ccccc1Cl 854128417 HEUDSUBIKUXCQI-UHFFFAOYSA-N 221.687 2.938 30 20 BFED C#C[C@@](C)(CC)NC(=O)c1ccc(CF)cc1 854693650 VFRVDJPCGFNRFX-AWEZNQCLSA-N 233.286 2.688 30 20 BFED CC(C)C#CC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 854991854 FFIUOYPEHDDASG-UONOGXRCSA-N 233.355 2.731 30 20 BFED CCC(C#N)(CC)C(=O)OCCCCC#N 860196996 OALLBYAEDBRUME-UHFFFAOYSA-N 222.288 2.553 30 20 BFED C#CC[C@H](CCOC)N[C@H](C)CCc1ccco1 862547503 HXRUDTKCUHOODR-ZIAGYGMSSA-N 249.354 2.619 30 20 BFED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccco1 863911000 OJUFQWHQXKZJBU-JHJVBQTASA-N 245.322 2.950 30 20 BFED C=CCCONC(=O)c1ccc(C)c(F)c1F 869282618 PDMRXBDCOTYUHE-UHFFFAOYSA-N 241.237 2.511 30 20 BFED CC(=NNC1CCCC1)c1cc(O)ccc1F 872347645 AQJUBLCUGZBNKK-UHFFFAOYSA-N 236.290 2.788 30 20 BFED N#C[C@@H]1CCC[C@@H](NCc2cc(N)cc(F)c2)C1 873288318 BMFJSRBEJVUBFY-QMTHXVAHSA-N 247.317 2.580 30 20 BFED C=C(C)CNCc1c(C)cccc1OC 877462866 YOAYBMCEWVZOHA-UHFFFAOYSA-N 205.301 2.669 30 20 BFED N#Cc1ccc(CCN2CCC[C@@H](CF)C2)cc1 880237966 LRSFNQXARZLFSB-HNNXBMFYSA-N 246.329 2.782 30 20 BFED COc1cccc(/C=N\C[C@H]2C=CCC2)c1O 887268046 APLYVAKWTLDTLO-SAIXKJTDSA-N 231.295 2.786 30 20 BFED CC(C)C[C@H](C)NC(=O)Nc1ccc(C#N)cn1 889229752 GIBPFEKDMQUTRT-JTQLQIEISA-N 246.314 2.509 30 20 BFED C=C1CCC(C(=O)NC[C@H](C)CCOC)CC1 891596418 AYZIVARIBOBZPF-GFCCVEGCSA-N 239.359 2.522 30 20 BFED C#CCN(Cc1nc(Cl)cs1)C(C)C 897170609 CSVBPGUTWMWUHT-UHFFFAOYSA-N 228.748 2.640 30 20 BFED C=C1CN(C(=O)c2ccc(CCC)cc2)C1 898696264 SSNKBBDKYRNDDT-UHFFFAOYSA-N 215.296 2.651 30 20 BFED C=C1CN(C(=O)C(C)(C)CCCCC)C1 898698209 HHBXKUZVLYAERW-UHFFFAOYSA-N 209.333 2.991 30 20 BFED CC[C@H](NC[C@H](C)N(C)C)c1cccc(C#N)c1 902793937 OXWYQXBJIHTGDK-WFASDCNBSA-N 245.370 2.549 30 20 BFED C=CCCC[C@H](N)C(=O)Nc1cccc(CC)c1 911952102 NXCBGZUEFGYUBE-AWEZNQCLSA-N 246.354 2.871 30 20 BFED CC(=NNC(=S)NC1CC1)C1CCCCC1 916281955 CMUHIIGHVYUTDD-UHFFFAOYSA-N 239.388 2.569 30 20 BFED C=C(Cl)COC(=O)Cc1csc(CC)n1 919805486 UGWORMRBEQNKGN-UHFFFAOYSA-N 245.731 2.544 30 20 BFED CCN(CCCCC1(C#N)CCC1)CCOC 929341086 KLQHGDFANZZAJD-UHFFFAOYSA-N 238.375 2.819 30 20 BFED C=C(C)CN(CC)C(=O)CCC1(C)CC1 930117451 MDROVBLKOAXLLB-UHFFFAOYSA-N 209.333 2.991 30 20 BFED CC1(CCC(=O)NC2(C#N)CCCCC2)CC1 931297530 YIBCZXUJOJFQAG-UHFFFAOYSA-N 234.343 2.909 30 20 BFED C#CCN(CC1CC1)C(=O)[C@@H](C)c1ccc(C)o1 1116366296 LAWZRMFTIZEDKH-LBPRGKRZSA-N 245.322 2.563 30 20 BFED Cc1cc(C#N)nc(N2CCC[C@H]2C2CC2)c1 1120812099 JCECUMPMRGGRIL-ZDUSSCGKSA-N 227.311 2.641 30 20 BFED CC1(C#N)CCC2(CC1)N=C(C1CCCC1)NO2 1121207888 RPTKPGUUYLIJSA-UHFFFAOYSA-N 247.342 2.910 30 20 BFED C#CCCCCC(=O)N(Cc1ccc(C)o1)OC 1124039280 DOBYYBQVDMSWQP-UHFFFAOYSA-N 249.310 2.672 30 20 BFED C#CCN(CC1CC1)C(=O)[C@@H](C)c1cccs1 1319459773 PLKLWMCJZDMFCH-NSHDSACASA-N 247.363 2.723 30 20 BFED CC[C@H](C#N)N(CC)C(=O)[C@@H](C)c1ccco1 1340891481 JAJRCCOPBNDRKY-WDEREUQCSA-N 234.299 2.534 30 20 BFED C=C(CC)C(=O)NC1(Cc2ccccc2)CC1 1346764137 LWMXZSNPUQMJST-UHFFFAOYSA-N 229.323 2.844 30 20 BFED C=C1CCN(c2cc(F)cc(C)n2)CC1 1354108763 HBRCFSSEGINYNH-UHFFFAOYSA-N 206.264 2.686 30 20 BFED C=C(CC)C(=O)NCCCCCCSC 1521317460 PEPNUPOULBJPDT-UHFFFAOYSA-N 229.389 2.992 30 20 BFED C=C[C@H](C(=O)O)N1C[C@@H](C(C)C)c2ccccc21 1588663947 MCMAPACGWFZZNW-QWHCGFSZSA-N 245.322 2.885 30 20 BFED C=C1CC(CNC2(C(=O)O)CCCCCC2)C1 1776145035 JEAFNHMARLZOGV-UHFFFAOYSA-N 237.343 2.720 30 20 BFED C=CCC[C@@H]1CCCN1CC1(CC(=O)O)CC1 1776170679 HUBQKLFLMZLSEE-GFCCVEGCSA-N 237.343 2.672 30 20 BFED C=CCCCCCN1CC(C)(C)C[C@H]1C(=O)O 1776173018 GUSHGQKCKZMULY-LBPRGKRZSA-N 239.359 2.918 30 20 BFED C=C[C@@H]1CCC[C@@H](Nc2cc(C(=O)O)ccn2)C1 1776191256 ASLRMPCJYPUTGR-ZYHUDNBSSA-N 246.310 2.937 30 20 BFED Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)no1 44692261 FEVIYJBZGAMIBK-LLVKDONJSA-N 241.294 2.706 30 20 BFED Cc1ccc(CNc2ncccc2C#N)s1 48337194 YJIFHGZXJJGXII-UHFFFAOYSA-N 229.308 2.935 30 20 BFED Cc1ccccc1[C@@H]1CN(CCC#N)[C@H](C)CO1 75784632 WDPHGQKXOJUOHQ-HIFRSBDPSA-N 244.338 2.671 30 20 BFED 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30 20 BFED C=C(CC)CNc1nc(C)ccc1[N+](=O)[O-] 313491774 LQODJQFRXCNTCJ-UHFFFAOYSA-N 221.260 2.676 30 20 BFED Cc1nnccc1N=C(O)C1(C)CCCC1 329421221 HOKLYCWPWUGEGK-UHFFFAOYSA-N 219.288 2.953 30 20 BFED CCc1cnccc1C/N=C(/O)C[C@H]1CCOC1 329446704 NZYKSGLJKKMIRY-LLVKDONJSA-N 248.326 2.527 30 20 BFED CC[C@H](NC(=O)CCCC#N)c1c(C)noc1C 330885273 FMMYELCGAXRBCT-NSHDSACASA-N 249.314 2.553 30 20 BFED C[C@H](C(=O)N[C@H]1CCC[C@@H]1C#N)c1ccsc1 331119336 WSLXOOSPPGSFRL-UMNHJUIQSA-N 248.351 2.660 30 20 BFED C=CCCC(=O)N=c1cc(C2CCCCC2)[nH][nH]1 331122269 BQBBZHAOODQSJA-UHFFFAOYSA-N 247.342 2.784 30 20 BFED CC(C)[C@H](C#N)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 331413502 CRSYPEXJVCYOHQ-MCIONIFRSA-N 248.370 2.867 30 20 BFED C[C@@H]1C[C@@]1(C#N)C(=O)NCC1CCCCCC1 334529282 VKMHELNOWFPCBQ-RISCZKNCSA-N 234.343 2.623 30 20 BFED C=CC1CCN(Cc2cccc(C)n2)CC1 334760777 JIHDURTUZAWQNP-UHFFFAOYSA-N 216.328 2.788 30 20 BFED CCC1(CC)CN(c2ncc(C#N)cc2F)C1 334813393 UQSHOZDQJXUFJD-UHFFFAOYSA-N 233.290 2.719 30 20 BFED 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224.348 2.784 30 20 BFED C=CCN(CCc1cncs1)C(C)(C)C 661757103 DVWTWDSAOMIIRQ-UHFFFAOYSA-N 224.373 2.972 30 20 BFED C=CC[C@@H]1CCCN(c2ccnc(C(=O)O)c2)C1 662883354 MFXGFRJFOHEAGS-LLVKDONJSA-N 246.310 2.572 30 20 BFED C=CCCNC(=O)NC1(c2cccc(F)c2)CC1 665945020 ARHGLJXPZMRRMZ-UHFFFAOYSA-N 248.301 2.690 30 20 BFED C=CCN(C)Cc1cc2ccncc2s1 668011134 SMECXRPMXXGZRU-UHFFFAOYSA-N 218.325 2.914 30 20 BFED COCC#CCN1CCC[C@@H]1c1cccs1 677817551 QAJKCWHWYILPAB-GFCCVEGCSA-N 235.352 2.535 30 20 BFED CCc1nn(C)cc1N[C@H](C)CC(C)(C)C#N 695812450 SQTOIXWQKLCTJR-SNVBAGLBSA-N 234.347 2.723 30 20 BFED COc1ccc(CN[C@@]2(C)CC2(C)C)cc1C#N 701969468 QVTKHIWSMXRAPK-HNNXBMFYSA-N 244.338 2.845 30 20 BFED C#C[C@@H](CC)NCc1ccc(Cl)c(OC)c1 703647881 LNKMWJIOXYQLFX-NSHDSACASA-N 237.730 2.850 30 20 BFED C#CCCCOC(=O)Cc1ccc(OCC)cc1 727040912 ZBXIUIDOCRCVEV-UHFFFAOYSA-N 246.306 2.584 30 20 BFED C#CCN(CC)C(=O)[C@@H](C)c1ccc(CC)cc1 727710120 DTDNWTDKAYFMFM-ZDUSSCGKSA-N 243.350 2.834 30 20 BFED C=CC[C@H](C)NC(=O)CSCCCC 735068142 UAYCLIAHWXOKLA-JTQLQIEISA-N 215.362 2.601 30 20 BFED C=CCS[C@H](C)c1ccc(-c2nn[nH]n2)cc1 735436078 FBLXHGSGWULACN-SECBINFHSA-N 246.339 2.847 30 20 BFED Fc1cccc(F)c1NN=C1CCn2cccc21 735614845 CTCWETPBJHPKDO-UHFFFAOYSA-N 247.248 2.986 30 20 BFED C#CCN(CC)[C@H](C)c1c(F)cccc1F 746144042 JREDLABBZWAFNO-SNVBAGLBSA-N 223.266 2.981 30 20 BFED Fc1ccc2c(c1)CCCC2=NNCC(F)F 747631895 CCXKFDYGDJSSRK-UHFFFAOYSA-N 242.244 2.721 30 20 BFED C=CC[C@@H](C)C(C)=NNc1nc(C)cc(OC)n1 747632231 LGZBOGZBIPUDHY-SECBINFHSA-N 248.330 2.794 30 20 BFED C#CC(C)(C)NC(=O)Nc1cccc(CC)c1 753944723 JNGMMIYENKYLHG-UHFFFAOYSA-N 230.311 2.782 30 20 BFED C[C@H]1CC(=NC(=O)[C@H](C)CCC(C)(C)C)NO1 755642649 GEMAUSNTPRSDBG-ZJUUUORDSA-N 240.347 2.687 30 20 BFED CC(=NNC1CCCC1)c1cccc(C(=O)O)c1 764690380 ONBLZMOVGZRJJO-UHFFFAOYSA-N 246.310 2.641 30 20 BFED CC1=CC(=NNCC(F)(F)F)CCC1 769815825 SIQGLKHDUXCQSO-UHFFFAOYSA-N 206.211 2.625 30 20 BFED CC(=NNCc1ccc(C#N)cc1)c1ccco1 769820392 DJZPCBMTIKENOP-UHFFFAOYSA-N 239.278 2.665 30 20 BFED CC(=NNCC(C)C)c1cccc(C#N)c1 771561567 KUWCLFPSPKVNLY-UHFFFAOYSA-N 215.300 2.528 30 20 BFED C#CC[C@H](N[C@@H](COC)C1CC1)c1ccccc1 773105141 GZHGUKHHKNGHNV-HOTGVXAUSA-N 243.350 2.766 30 20 BFED C=CC[C@H](C)NC(=O)c1cccc(Cl)c1O 775748000 UBGSJBPGGNJVPT-QMMMGPOBSA-N 239.702 2.740 30 20 BFED C#CCCN1CCN(C2CC2)c2cc(F)ccc21 775751876 PZLCUCHDBDZHLL-UHFFFAOYSA-N 244.313 2.638 30 20 BFED Cc1ccc([C@@H](C)C(=O)OCC2(C#N)CC2)o1 775862929 ONXPVXCZPPZOAO-SNVBAGLBSA-N 233.267 2.539 30 20 BFED C#CCCCN[C@@H]1[C@@H](C)[C@H](OC)C1(CC)CC 776162110 BCUIKBLHMPWIME-MCIONIFRSA-N 237.387 2.829 30 20 BFED C=C(C)COC(=O)c1ccc(OC(C)(C)C)nc1 778184027 QSINDXKKHHJGPX-UHFFFAOYSA-N 249.310 2.992 30 20 BFED C=CCC[C@@H](NCc1ccc(C#N)cn1)C1CC1 783299544 DMYCFLVRCDVLHB-OAHLLOKOSA-N 241.338 2.788 30 20 BFED CCON=C1CCOc2ccc(Cl)cc21 783820574 JAYRTLLSHFVUSK-UHFFFAOYSA-N 225.675 2.863 30 20 BFED CC[C@H]1CCC[C@@H](C=NN2CCCC2=O)C1 783864460 RBCCCXILXQEAJC-NWDGAFQWSA-N 222.332 2.811 30 20 BFED CCCCCCCCNC(=O)[C@H]1CO[C@H](C)C1 784138851 UTHLRLADOKKKGV-CHWSQXEVSA-N 241.375 2.888 30 20 BFED CC(C)(C#N)CC(=O)O[C@H](C#N)C1CCCCC1 785096668 HUQQQXHMDNEFRZ-GFCCVEGCSA-N 248.326 2.942 30 20 BFED C#CCCCCNC(=O)C1(CC#C)CCCCC1 788232821 OWXCQXPFNSAJHJ-UHFFFAOYSA-N 245.366 2.880 30 20 BFED CC[C@@H](C)NN=C(C)c1ccc(OC)cc1F 790191814 XQXHLHRMKDCSJD-SECBINFHSA-N 238.306 2.946 30 20 BFED CON=C(C[C@@H]1CCOC1)c1ccc(F)cc1 792960969 BIGAWEOONHNDMO-JTQLQIEISA-N 237.274 2.603 30 20 BFED C=CCNN=Cc1ccc(N2CCCCC2)s1 794998265 HRSAQGXTVPUXAQ-UHFFFAOYSA-N 249.383 2.848 30 20 BFED C=CCNN=C1CC(C)(C)Oc2ccccc21 795003182 GFGYIBJMQMXSJJ-UHFFFAOYSA-N 230.311 2.727 30 20 BFED CC[C@@H](C)CCC(=O)N[C@@H](C#N)CC(C)C 795991103 RFMXVDVPKUZUBU-VXGBXAGGSA-N 224.348 2.867 30 20 BFED C#Cc1ccc(CN(C)CC2CCOCC2)cc1 809573809 YWFYVAGVAGGDDJ-UHFFFAOYSA-N 243.350 2.526 30 20 BFED N#CCC[C@@H](C#N)Cn1cnc(Cl)c1Cl 811821087 VIIZMZCLKWNQRR-ZETCQYMHSA-N 243.097 2.633 30 20 BFED C#CC(=O)NCCCCCCCCC=C 813694106 KIWGAHWGIYJEBL-UHFFFAOYSA-N 207.317 2.653 30 20 BFED CC(=NOC1CCCC1)c1cccc(CO)c1 814895147 VQMANNSCPYMLAQ-UHFFFAOYSA-N 233.311 2.862 30 20 BFED COCCCNN=C1CS[C@H](C(C)(C)C)C1 814920744 VBUWTVNXEJRFTF-NSHDSACASA-N 244.404 2.520 30 20 BFED C[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1c[nH]c(C#N)c1 816225622 VPDILPJPNPDPIN-NRUUGDAUSA-N 246.310 2.868 30 20 BFED N#Cc1ccc(C=NO[C@@H]2CCCCO2)cc1F 817325455 CDVSQHHFCRZTQI-CYBMUJFWSA-N 248.257 2.574 30 20 BFED CC(C)C#CC(=O)N1CCCc2cc(F)ccc21 822557898 NAADUWQWHAWKRP-UHFFFAOYSA-N 245.297 2.764 30 20 BFED C=C[C@@H](CC)CC(=O)NOCc1cccc(C)n1 825573118 MVRRPZUPUBXGRN-LBPRGKRZSA-N 248.326 2.540 30 20 BFED C=CCC[C@@H](CO)N[C@@H]1CCc2cc(C)ccc21 834905511 XTYYWJFFYJTGRB-GOEBONIOSA-N 245.366 2.899 30 20 BFED C=CCON=C1CCc2c(cccc2OC)C1 835013849 ZINIKRFORYGNEQ-UHFFFAOYSA-N 231.295 2.743 30 20 BFED C=CCCO[C@@H](C)C(=O)O[C@H](C)CCSC 835815778 OVAZJJGNBFJHMN-MNOVXSKESA-N 246.372 2.652 30 20 BFED CC1(C)CN(C(=O)C#CC2CC2)CC(C)(C)C1 837536437 VBDXZNGZAOSIKL-UHFFFAOYSA-N 233.355 2.685 30 20 BFED C/C=C\COC(=O)[C@]1(C#N)CC12CCCC2 837902198 FNWOIXNWDJYZEL-XQJDBVBESA-N 219.284 2.580 30 20 BFED N#C[C@@]1(C(=O)OCC2CCC2)CC12CCCC2 837904276 BVCPEFQDKQKAEG-CQSZACIVSA-N 233.311 2.804 30 20 BFED C=CCCCC(=O)N1CC[C@@H](C2CCC2)C1 839945433 ORVPFHSOVWFAIK-CYBMUJFWSA-N 221.344 2.991 30 20 BFED CCC(=NNC[C@@H]1CCSC1)[C@@H]1C[C@H]1C 841639906 WCRFECJRUMYCQE-OUAUKWLOSA-N 226.389 2.751 30 20 BFED CCCON=C(C)c1ccc2c(c1)OCCCO2 842566263 ZHXLWSJCIAIINS-UHFFFAOYSA-N 249.310 2.999 30 20 BFED C#C[C@@H](NC(=O)C(C)(C)C=C)c1ccccc1 843642523 WWKRUUQGMTYRGO-CYBMUJFWSA-N 227.307 2.689 30 20 BFED C=C(C)CON=C(C)c1cccc(O)c1 844614474 FHRYYSGQCSDGEB-UHFFFAOYSA-N 205.257 2.709 30 20 BFED C=C(C)CONC(=O)C[C@H]1CCC[C@@H](C)C1 846538988 BDKODQKCOKZGQW-NEPJUHHUSA-N 225.332 2.827 30 20 BFED Cc1cncc(C(=O)O[C@H](C)CC(C)(C)C#N)c1 851207575 DZLBWCGGWUWJLF-LLVKDONJSA-N 246.310 2.875 30 20 BFED C=CC(C)(C)CCOC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C 851300196 LZJMXEOGWJEKEV-SDDRHHMPSA-N 240.343 2.945 30 20 BFED CC(C)CON=Cc1ccc(C(=O)O)c(F)c1 853323215 UNXCVJSFPQNHBX-UHFFFAOYSA-N 239.246 2.530 30 20 BFED C[C@@H]1CCCCN1N=Cc1ccc(O)c(F)c1 853380975 YVSQCRHRAKJBPV-SNVBAGLBSA-N 236.290 2.740 30 20 BFED CS[C@@H]1CC[C@H](Nc2nc(C#N)ccc2C)C1 853385615 FBPBETCTNUPVMA-CMPLNLGQSA-N 247.367 2.958 30 20 BFED C#Cc1cccnc1N[C@@H]1CCO[C@H](C(C)C)C1 853468210 QENNNLZFWJHXRN-KGLIPLIRSA-N 244.338 2.678 30 20 BFED C#C[C@H](CC)NC(=O)N[C@]1(C)CCCC[C@@H]1C 854078045 GQTGDNSCUUFKME-OUCADQQQSA-N 236.359 2.666 30 20 BFED C#CCNC(=O)[C@@H](C)SC[C@@H](C)C(C)(C)C 865288508 ZZHOBJUZSUIFMR-GHMZBOCLSA-N 241.400 2.540 30 20 BFED C=CCOCSc1nc(CC)cs1 865387106 XUNYMOJKQUQWLU-UHFFFAOYSA-N 215.343 2.958 30 20 BFED C=C[C@](C)(CC)COC(=O)c1ncccc1OC 870309191 YPUKILZEYOGCBN-CQSZACIVSA-N 249.310 2.849 30 20 BFED O=C(O)c1cccc(NN=C2CCC[C@H]2F)c1 872325398 PHDLPYWDYRJGGU-SNVBAGLBSA-N 236.246 2.675 30 20 BFED C=C[C@](C)(CC)C(=O)OCc1cnsc1 875929846 FGMVKHYZLKKIRE-LLVKDONJSA-N 225.313 2.789 30 20 BFED C=CC(C)(C)CC(=O)OCc1cccc(OC)n1 884649603 JKGRASINTAKVKT-UHFFFAOYSA-N 249.310 2.736 30 20 BFED C=CC(C)(C)CC(=O)Nc1ncc(CC)o1 889382466 MBMISNKRJXPKJF-UHFFFAOYSA-N 222.288 2.778 30 20 BFED C=CC1(OC(=O)c2ncnc3ccsc23)CC1 893359420 SDROTQHPJMBZPL-UHFFFAOYSA-N 246.291 2.567 30 20 BFED C=CC1(OC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)CC1 893359543 UTNZQFSDBNVGGO-BFHYXJOUSA-N 240.302 2.834 30 20 BFED N#Cc1ccc(N2CC[C@@](F)(C#N)C2)c(Cl)c1 893410205 YUSBHHNXPPVGCZ-GFCCVEGCSA-N 249.676 2.654 30 20 BFED CC(C)N(CC1CC1)C(=O)NCC1(C#N)CCC1 895410765 IHZPXOZHWNXQTQ-UHFFFAOYSA-N 249.358 2.510 30 20 BFED CCOc1cccc(/C=N\C/C=C/Cl)c1O 899234175 UWOKCHOYVJJHRH-DBBRDBGQSA-N 239.702 2.962 30 20 BFED C#CCCCc1nnc(NCc2ccccc2)o1 899251976 FSCYKALEFWUNQL-UHFFFAOYSA-N 241.294 2.638 30 20 BFED Cc1nc(C=NO[C@H]2CCCCO2)sc1C 901204426 DHWOGJLZTGAMOA-NSHDSACASA-N 240.328 2.637 30 20 BFED C[C@H](NCC1(C#N)CCC1)c1c(O)cccc1F 903035672 SIPSLGMPPYUTEB-JTQLQIEISA-N 248.301 2.876 30 20 BFED CC[C@H](NCC1(C#N)CC1)c1ccc(C#N)cc1 903105888 IJMPVLMXEAXOCH-AWEZNQCLSA-N 239.322 2.903 30 20 BFED C=CC(C)(C)CC(=O)N1CCCC[C@H]1C(C)=O 908537558 MLPIXCCEFJNYML-LBPRGKRZSA-N 237.343 2.559 30 20 BFED C=C[C@@H](CC)CC(=O)OCc1c(C)noc1C 909525549 PVBJQHSBFOVTEU-NSHDSACASA-N 237.299 2.937 30 20 BFED Cc1noc(C)c1C=NNc1ccc(F)cc1 916267963 ANWXXLFQIJRTKY-UHFFFAOYSA-N 233.246 2.877 30 20 BFED Cc1noc(C)c1C=NN[C@@H](C)c1ccccc1 920383048 RNYWVJGBVQHFPI-JTQLQIEISA-N 243.310 2.976 30 20 BFED CC(C)c1cccc(C(=O)OCCCC#N)c1N 920558553 GIEFUWZAISDCQR-UHFFFAOYSA-N 246.310 2.853 30 20 BFED Cc1oc(C(C)(C)C)cc1C(=O)NC1(C#N)CC1 932892919 ZGVLJXOUVSVAES-UHFFFAOYSA-N 246.310 2.672 30 20 BFED C=C[C@@H](CC)CC(=O)N1CCOC[C@]1(C)CC 935211268 OUPLQUUGLCXDIJ-JSGCOSHPSA-N 239.359 2.616 30 20 BFED C=C[C@H](CC)CC(=O)N[C@@H](COCC)C(C)C 935599552 DOGDLEIXEXMIPS-OLZOCXBDSA-N 241.375 2.766 30 20 BFED CCCCCC(C)=Nn1nnc(C)c1C 1119299028 NWRBFVYHLWHFEA-UHFFFAOYSA-N 208.309 2.699 30 20 BFED C=C[C@H](C)NC(=S)Nc1cccc(F)c1F 1319452315 VOSKQSNWCIDHNW-ZETCQYMHSA-N 242.294 2.826 30 20 BFED C[C@H](NC1(C)CC1)c1ccc(C#N)cc1 1319856009 FOFUAVABCWUHKN-JTQLQIEISA-N 200.285 2.761 30 20 BFED C=C1CCC(C(=O)Nc2n[nH]c(C(C)C)n2)CC1 1331594847 DZGIGAPPAGRUDS-UHFFFAOYSA-N 248.330 2.613 30 20 BFED Oc1ccccc1/C=N\CCCC(F)F 1332023074 UNLTXINWCXJJHX-ZSOIEALJSA-N 213.227 2.856 30 20 BFED C=C(C)CCC(=O)NC(C)(C)C1CCOCC1 1335892397 BHUNJOVERAEYJS-UHFFFAOYSA-N 239.359 2.664 30 20 BFED CC[C@H](C#N)N(CC)C(=O)[C@@H]1C[C@@]1(C)C(C)C 1339195343 KGMGRGVYBXUFCU-DYEKYZERSA-N 236.359 2.819 30 20 BFED CCCc1[nH]ccc1C(=O)O[C@H]1CC[C@@H](C#N)C1 1342623880 UVXVGTLPBMRMBU-MNOVXSKESA-N 246.310 2.816 30 20 BFED C#C[C@@H](C)OC(=O)c1cnc(CC(C)C)s1 1342668210 REWFAVMXIDCVTN-SECBINFHSA-N 237.324 2.520 30 20 BFED C#C[C@@H](OC(=O)c1cc(Cl)ncc1C)C1CC1 1343709445 PDLGTQIJJLVTIE-LLVKDONJSA-N 249.697 2.612 30 20 BFED C=C(C)CCC(=O)Nc1ccc(C)cn1 1354053557 UFVXOYDOCRYPJJ-UHFFFAOYSA-N 204.273 2.685 30 20 BFED CCc1nc(C#N)cc(N2CC[C@@H]2C(C)(C)C)n1 1354352989 JDBXNORFOKAJIT-LLVKDONJSA-N 244.342 2.535 30 20 BFED C=C(CC)C(=O)N(CC1CCC1)CC1CC1 1528384490 WTXJDZAHVYQBNK-UHFFFAOYSA-N 221.344 2.991 30 20 BFED C=CC[C@H](Nc1ccc(CC)cc1)C(=O)O 1588751692 PLZCUHXMJRSXEJ-LBPRGKRZSA-N 219.284 2.690 30 20 BFED C[C@@H]1C[C@@H]1C=NNc1cccc(C(=O)O)c1F 1604684414 XJXIKSNAFXDSOH-HTQZYQBOSA-N 236.246 2.578 30 20 BFED Cc1cc(C#N)ccc1Oc1cnc(F)cn1 1651465605 ZPWOUZIXOJQIGJ-UHFFFAOYSA-N 229.214 2.588 30 20 BFED C[C@H]1CC[C@H](C)N(Cc2cc(C#N)ccn2)C1 1653441259 DNELAAOMQXBDKF-RYUDHWBXSA-N 229.327 2.574 30 20 BFED C=CCCCCCN(C)c1ccncc1C(=O)O 1776173465 RNGJVPOUSBLQAU-UHFFFAOYSA-N 248.326 2.962 30 20 BFED C=CCN(CCC(=O)O)Cc1c(C)cccc1C 1776177984 YHCNXPASGXXJBD-UHFFFAOYSA-N 247.338 2.766 30 20 BFED C/C=C/C=C/C(=O)Nc1cccc(C#N)c1 8115036 MYBCUJHKBDDNTN-CRBCFSCISA-N 212.252 2.629 30 20 BFED C=CCNC(=O)c1cccc(OCC(C)C)c1 10279069 KFKXYQMJMKHEHU-UHFFFAOYSA-N 233.311 2.637 30 20 BFED N#Cc1ccc(OC[C@@H]2CCCCO2)cc1 19867868 HBKSPAFBSMSKOF-ZDUSSCGKSA-N 217.268 2.506 30 20 BFED CCC[C@H](C#N)NC(=O)c1ccc(C)c(F)c1 40352845 JRQFIJUAEQDVMK-LLVKDONJSA-N 234.274 2.556 30 20 BFED CC(C)C(=O)[C@@H](C#N)c1nc2ccccc2o1 41546518 ZHYFUZBMSYDTGE-SECBINFHSA-N 228.251 2.660 30 20 BFED Cc1ccc(CN(C)C[C@H](C)C#N)cc1C 42461150 XWENAXPBFMGDTA-LLVKDONJSA-N 216.328 2.895 30 20 BFED CC1CCC(N(C)C(=O)C(C)(C)C#N)CC1 44351276 GZEKWALECUPXPG-UHFFFAOYSA-N 222.332 2.573 30 20 BFED C=CCNC(=O)c1ccc(OC(F)(F)F)cc1 45479899 LZINYHOJHPIDSL-UHFFFAOYSA-N 245.200 2.501 30 20 BFED CCCC(=O)Nc1ccc(C#N)c(Cl)c1 59132801 IGUZVGBWJFKGSP-UHFFFAOYSA-N 222.675 2.950 30 20 BFED CN(CCOc1ccccc1C#N)CC1CCC1 61457851 ICFBSPBSZVILKU-UHFFFAOYSA-N 244.338 2.669 30 20 BFED CC(C)[C@H](C)C(=O)Nc1cccc(OCC#N)c1 70124030 ZNUICKNIKSADRU-NSHDSACASA-N 246.310 2.820 30 20 BFED N#Cc1nccnc1Oc1ccc2ncccc2c1 72082238 HSZCZBWFSAKAAT-UHFFFAOYSA-N 248.245 2.689 30 20 BFED C#CCN1C[C@H](c2ccccc2C)C[C@@H]1C 76386380 ZFSYKSQITLVSKP-UONOGXRCSA-N 213.324 2.806 30 20 BFED CC(C)[C@@H](O)CCNc1cccc(F)c1C#N 78342024 AZBUXLZAIJZFTN-ZDUSSCGKSA-N 236.290 2.516 30 20 BFED Cc1ccccc1CNC(=O)C#Cc1ccccc1 80493668 CMKNUXGEIVSXBR-UHFFFAOYSA-N 249.313 2.663 30 20 BFED N#Cc1ccncc1NCc1ccc(F)cc1 83355226 HZIBVGYFLSYDMR-UHFFFAOYSA-N 227.242 2.704 30 20 BFED CCN(CC#N)Cc1cccn1CCC(C)C 92399268 YFDIJIZJFURGIL-UHFFFAOYSA-N 233.359 2.880 30 20 BFED N#Cc1cc(NC[C@@H]2CCCOC2)ccc1F 111320436 PTIVJYJCFZYAGJ-JTQLQIEISA-N 234.274 2.536 30 20 BFED C[C@@H](NC[C@@H](C#N)CCC#N)c1ccccc1 112545303 MGFHDVNAJWVOIE-CHWSQXEVSA-N 227.311 2.781 30 20 BFED Cc1cccc(C(=O)N[C@](C)(C#N)C(C)C)c1 120681961 JAJLALHDXSVFAE-CQSZACIVSA-N 230.311 2.663 30 20 BFED C=C(Cl)CNC(=O)c1sccc1CC 124631871 VODRLNYAHXCCBA-UHFFFAOYSA-N 229.732 2.793 30 20 BFED C[C@@H](C#N)NC(=O)c1occc1-c1ccccc1 125476473 HNUCSXBLXZLXSR-JTQLQIEISA-N 240.262 2.588 30 20 BFED Cc1ccccc1CCNc1cccnc1C#N 130070988 WUJVMFKKWHNTCP-UHFFFAOYSA-N 237.306 2.916 30 20 BFED C#CCCCCN[C@H](C)c1cscn1 130751495 ACVNETHVCLRTQL-SNVBAGLBSA-N 208.330 2.597 30 20 BFED C=CCC[C@H](C)N[C@@H](COC)c1ccco1 134897484 IXRXKYOEWVYSLU-RYUDHWBXSA-N 223.316 2.911 30 20 BFED C[C@@H]1CCCC[C@@H]1CNCC(C)(C)C#N 134976841 PYVSTKMFEMTYJQ-VXGBXAGGSA-N 208.349 2.952 30 20 BFED C=C(C)c1cccc(N2CCOCC2)c1 137932036 XTTMGICMIQQOMY-UHFFFAOYSA-N 203.285 2.556 30 20 BFED C=CCCCS(=O)(=O)c1ccc(CC)cc1 148429476 UPOXGJBGDFTONQ-UHFFFAOYSA-N 238.352 2.989 30 20 BFED CC(C)(C#N)NC(=O)c1ccc(Cl)c(F)c1 153539649 ZESLRMXCFMYNIR-UHFFFAOYSA-N 240.665 2.511 30 20 BFED C#CCOc1cc(F)ccc1NC(=O)CC(C)C 155196945 YXHNRSMZHVZUDV-UHFFFAOYSA-N 249.285 2.822 30 20 BFED C#CCOc1ccc(F)cc1NC(=O)CC1CC1 156503989 IDUKRUOEBGQDQO-UHFFFAOYSA-N 247.269 2.576 30 20 BFED C=CCCNc1ccc(OCC(=O)OC)cc1C 157162768 AOCZPJFEBBLEJZ-UHFFFAOYSA-N 249.310 2.535 30 20 BFED Cc1cnn(Cc2ccc(C#N)cc2Cl)c1 162946333 VCZGGZUAIWSZPC-UHFFFAOYSA-N 231.686 2.765 30 20 BFED CC#CCN[C@H](CC)c1ccc(OC)c(OC)c1 163616949 ACRCIHJYQNDADY-CYBMUJFWSA-N 247.338 2.768 30 20 BFED C[C@H]1CCCC[C@@H]1C/N=C(\N)Nc1ccccn1 170910493 XQTTVCFFOIVRCB-NWDGAFQWSA-N 246.358 2.635 30 20 BFED CCCCS[C@@H](C)C(=O)NCCCCC#N 171499496 FOZZCTRXMMKZIV-NSHDSACASA-N 242.388 2.718 30 20 BFED C=CC[C@H](C)NC(=O)Nc1ccc2c(c1)CCO2 172101377 ZQUTWGDKZHOPDI-JTQLQIEISA-N 246.310 2.708 30 20 BFED C=CCCC(=O)N1CCN(C)c2cc(F)ccc21 174457988 YFFSVMUOVSRKBD-UHFFFAOYSA-N 248.301 2.575 30 20 BFED N#CCCCN1CCS[C@H]2CCCC[C@@H]21 177204321 HLUXFQGOBSJTRE-RYUDHWBXSA-N 224.373 2.650 30 20 BFED C=CCNC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 177310282 AAHODHJSPCFRSP-JSGCOSHPSA-N 244.338 2.760 30 20 BFED C=CCC[C@H](CC)NC[C@H]1CCCOC1 178429013 CXPHGAWBWGFUJQ-OLZOCXBDSA-N 211.349 2.747 30 20 BFED CN(C)[C@H]1CCC[C@@H](/N=C/c2ccccc2O)C1 178704111 XYIUXFMEDGNTKM-WAWJYGGWSA-N 246.354 2.684 30 20 BFED N#C[C@@H]1CC[C@H](OC(=O)/C=C/c2ccco2)C1 178782842 NOHSMDITMFBPJD-SXGMEYSMSA-N 231.251 2.528 30 20 BFED COc1ccc(C(=O)O[C@@H]2CC[C@H](C#N)C2)cc1 178784698 PWOKWOWBHUDRKB-GXFFZTMASA-N 245.278 2.544 30 20 BFED CC[C@H](NCC#N)C(C)(C)c1ccccc1 180003145 RJKABYIVOWAKGM-ZDUSSCGKSA-N 216.328 2.856 30 20 BFED CCCCCCCN(C)C1(C(N)=O)CCCC1 180691420 NTIJNNNKFOJBRT-UHFFFAOYSA-N 240.391 2.687 30 20 BFED Cc1c([C@H](C)NCCCC(C)(C)C#N)cnn1C 183307240 GRTRUWFDQZPLOO-NSHDSACASA-N 248.374 2.709 30 20 BFED N#CCCCN1CC[C@@H](Oc2cccc(F)c2)C1 183351683 GGAWALAMFYTLIA-CQSZACIVSA-N 248.301 2.583 30 20 BFED C[C@@H](CCc1ccccc1F)NC[C@@H](C)C#N 185574246 JKWPANGMFBXIRL-RYUDHWBXSA-N 234.318 2.896 30 20 BFED C#CCC(C)(C)C(=O)N1CCC[C@@H]2CCC[C@@H]21 185912111 VSAUKWQNRBOZCX-STQMWFEESA-N 233.355 2.827 30 20 BFED CC#CCNC(=O)Nc1ccccc1SC 186522144 GMSDXBUJVUIFKL-UHFFFAOYSA-N 234.324 2.553 30 20 BFED N#CCCCCNC(=O)c1csc(Cl)c1 189248948 BELWBPRNKJAUJE-UHFFFAOYSA-N 242.731 2.825 30 20 BFED C=CCC1(C(=O)N[C@H](CC)CSC)CCC1 189998162 NNTUOFOAXFQEDW-LLVKDONJSA-N 241.400 2.991 30 20 BFED C=CCCC(=O)NCCc1c[nH]c2ccccc12 227739558 MTNZJAAIRWMZSO-UHFFFAOYSA-N 242.322 2.793 30 20 BFED C#C[C@H](CC)NCc1ccccc1OCC 229884662 KOTMBLAKJJGZNG-CYBMUJFWSA-N 217.312 2.587 30 20 BFED C=CCC[C@H](C)NCCCN(C)C(C)C 230658230 JGDAMTPRBGCAHI-ZDUSSCGKSA-N 212.381 2.661 30 20 BFED N#Cc1cccc(NC(=O)CC2CCC2)c1 231281038 YUISYBSQKHMGLL-UHFFFAOYSA-N 214.268 2.687 30 20 BFED C#C[C@@H](CCC)NC(=O)c1ccccc1OCC 233292856 YQWUSUZYFYNJGN-LBPRGKRZSA-N 245.322 2.617 30 20 BFED C=CCCCCCN[C@H]1CCN(C)C[C@@H]1C 235704947 NNNBTAVBLCMJIW-KBPBESRZSA-N 224.392 2.663 30 20 BFED COc1ccc(C#N)cc1CN1CC[C@@H](C)[C@@H]1C 246114936 OCOOTAQOKLSNKF-NEPJUHHUSA-N 244.338 2.797 30 20 BFED Cc1cnc(CON=Cc2cccs2)o1 255305644 AJGNKTAFVOZMRN-UHFFFAOYSA-N 222.269 2.595 30 20 BFED Cc1ccc(Nc2cncc(C#N)n2)cc1C 259693826 KQRNOFQGEDECDH-UHFFFAOYSA-N 224.267 2.709 30 20 BFED C=CCCC(=O)Nc1ccc(OC(C)C)nc1 263708728 VVHSCYHEVSHPOA-UHFFFAOYSA-N 234.299 2.774 30 20 BFED C=C(Cl)CNC(=O)Nc1ncc(CC)s1 266347129 CYHAWZVTSJBNIS-UHFFFAOYSA-N 245.735 2.580 30 20 BFED C#CCCCOc1ccc2c(c1)CCCC(=O)N2 270925116 OPVBFDIBVGTTJG-UHFFFAOYSA-N 243.306 2.754 30 20 BFED CC(C)(C)c1nc(CNCCCC#N)cs1 273056648 LOXBVNKRFIBTIV-UHFFFAOYSA-N 237.372 2.834 30 20 BFED N#Cc1csc(-c2nc([C@@H]3CCCO3)no2)c1 274227271 UTRJIGYXTYBFFU-QMMMGPOBSA-N 247.279 2.521 30 20 BFED C=CCCCCNC(=O)NCc1ccncc1C 274999224 KBEWDPFGMCWJKT-UHFFFAOYSA-N 247.342 2.546 30 20 BFED C=CCCO[C@@H](C)c1nc(-c2ncoc2C)no1 277888436 ASRRQCKQHPLHRU-VIFPVBQESA-N 249.270 2.687 30 20 BFED CC(C)(C#N)CC(=O)O[C@@H]1CCc2cccnc21 278870415 VFTFJGZJFLQXDC-LLVKDONJSA-N 244.294 2.552 30 20 BFED N#C[C@@H]1CC[C@H](N[C@@H]2CCc3c(O)cccc32)C1 282507688 YPTMXSYVKBEABZ-UHIISALHSA-N 242.322 2.661 30 20 BFED CC(C)c1ccoc1C(=O)N(C)C[C@H](C)C#N 283906333 KVODXLDFCDANIB-SNVBAGLBSA-N 234.299 2.635 30 20 BFED C=C(Cl)CNCc1cnc(C(C)(C)C)nc1 284459333 UZCPRALJXBSLSW-UHFFFAOYSA-N 239.750 2.616 30 20 BFED C=CCSCCNC(=O)CC[C@H](C)CC 285237749 WAACNLRIXSLITK-LLVKDONJSA-N 229.389 2.848 30 20 BFED C=CCCCCCCNC(=O)C(F)F 287021580 LIZCAKAYQIOZLA-UHFFFAOYSA-N 205.248 2.504 30 20 BFED C=C[C@@H](CO)N[C@@H](C)c1cc(C)c(OC)cc1C 289986533 YDMAJYIMHMJFRO-STQMWFEESA-N 249.354 2.510 30 20 BFED C=CCCCc1nc([C@](C)(CC)OC)no1 290559133 UBGRILOLIJIBJD-LBPRGKRZSA-N 224.304 2.850 30 20 BFED N#CCCCC(=O)Oc1ccc(Cl)cc1 291153048 ZTMBAEBWRRPQDD-UHFFFAOYSA-N 223.659 2.939 30 20 BFED C=CCN(CCC#N)C(=O)/C=C1\CC[C@@H](C)C1 292259273 GAGLYDZGDIHZSY-RVROTUBLSA-N 232.327 2.661 30 20 BFED C#CCN(CC)Cc1ccc(C(C)C)nc1C 292767228 JIYXUCLCIMVGKW-UHFFFAOYSA-N 230.355 2.969 30 20 BFED C=CCN(C(=O)OC1CCCC1)C1CC1 295157298 MRPODFQOORNAOB-UHFFFAOYSA-N 209.289 2.716 30 20 BFED C[C@@H](CCO)CCN[C@H](C)c1ccc(C#N)cc1 297307182 MQQGIQVTVBSLKJ-CHWSQXEVSA-N 246.354 2.617 30 20 BFED C=C[C@H](CC(=O)N(C)[C@@H](C)C#N)c1ccccc1 297925775 RXRWDPDLMGIHDC-QWHCGFSZSA-N 242.322 2.717 30 20 BFED Cc1cc(C#N)nc(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)n1 300426979 FJXITSYBHQTILD-IAZYJMLFSA-N 244.342 2.893 30 20 BFED C#C[C@H](NCC(C)(C)CCC#N)C(C)C 300958376 QQFUTPRXEZYAKY-LBPRGKRZSA-N 206.333 2.564 30 20 BFED C=C[C@H](Sc1ccc(F)cc1)C(=O)OC 301033673 SJUJRKKIADULQX-JTQLQIEISA-N 226.272 2.645 30 20 BFED C[C@H](C#N)CNc1cc(C(F)(F)F)ccn1 302059318 SDBMZGBXRXNWJP-SSDOTTSWSA-N 229.205 2.672 30 20 BFED N#CCCCCNC(=O)[C@@H]1CCCC(F)(F)C1 305972094 JXCXBBJIWROAHB-SNVBAGLBSA-N 244.285 2.622 30 20 BFED C#C[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)C(C)C 305996941 ULDYMPGHRXYFSG-CYBMUJFWSA-N 246.310 2.651 30 20 BFED C=C(Cl)CSc1nc2c([nH]1)CCC2 307500888 HYGKKYZFSLWHDR-UHFFFAOYSA-N 214.721 2.743 30 20 BFED CCc1nc(C#N)cc(N2[C@@H](C)CC[C@@H]2CC)n1 308173166 WZPRHTNZWJXYPW-JQWIXIFHSA-N 244.342 2.678 30 20 BFED C[C@@H](C#N)OCCSCC(C)(C)C 308273742 UDMNRGBZZPKLBX-VIFPVBQESA-N 201.335 2.694 30 20 BFED C[C@H]1CSC[C@H]1Nc1cccc(CC#N)c1 313437136 MPOMDTFSHKYOQZ-GXFFZTMASA-N 232.352 2.916 30 20 BFED C=CCC[C@H](CO)N[C@@H]1CCc2c(F)cccc21 321265336 DPDJTHHJFLXSSY-IAQYHMDHSA-N 249.329 2.730 30 20 BFED CC[C@@](C)(CNc1ccc(F)cc1C#N)OC 322834649 KIYARRYQJVSZHI-ZDUSSCGKSA-N 236.290 2.924 30 20 BFED CC[C@H]1CC[C@@H](C(O)=Nc2ncc(C)o2)O1 329784725 WHUYPWDJVIDGAN-IUCAKERBSA-N 224.260 2.529 30 20 BFED C=C1CCN(C(=O)C(C)(C)C(=C)C)CC1 335109307 FBOSAKHZKRARDO-UHFFFAOYSA-N 207.317 2.767 30 20 BFED N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](F)C2)cc1 335416658 GOOUFLGEMXVEOY-CHWSQXEVSA-N 246.285 2.569 30 20 BFED CCC(C)(C)C(=O)N1CCc2c(C#N)cccc21 335478805 ILOSLHJTGOCSTB-UHFFFAOYSA-N 242.322 2.884 30 20 BFED CC#CCN(C)C(=O)[C@H]1CCC(C)=C(C)C1 335546277 AOUXJYJCDURBFL-ZDUSSCGKSA-N 219.328 2.605 30 20 BFED N#C[C@@H]1CC[C@H](N=c2cc[nH]c3ccsc23)C1 335597712 HCJQQEYHNQACLK-ZJUUUORDSA-N 243.335 2.822 30 20 BFED N#Cc1cc(N2CC[C@H](CC3CC3)C2)ccn1 335928025 IOGPLFRSRBUAJC-GFCCVEGCSA-N 227.311 2.580 30 20 BFED Cc1nn(C[C@H]2CCCC(F)(F)C2)cc1C#N 336019356 OPRYFFZZFOYYDE-JTQLQIEISA-N 239.269 2.889 30 20 BFED N#Cc1cccc(C#N)c1S[C@@H]1CCCOC1 336147995 JQPPACWGUSZERV-GFCCVEGCSA-N 244.319 2.701 30 20 BFED Cc1cc(OCC2(C#N)CC2)ccc1C#N 336149273 UQSRFIAYRNTYOT-UHFFFAOYSA-N 212.252 2.549 30 20 BFED Cc1cccc(CN(C)C(=O)[C@@]2(C#N)C[C@@H]2C)c1 336247185 MBKWSIFZGQTXAJ-SWLSCSKDSA-N 242.322 2.503 30 20 BFED C=CCC(C)(C)CN[C@@H]1CCN2CCC[C@H]2C1 336654406 HFEJWEURHGBSGE-KGLIPLIRSA-N 236.403 2.805 30 20 BFED C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H](C#N)C2)C1 336675424 AJNKXAQIAHWUSD-LPWJVIDDSA-N 206.333 2.847 30 20 BFED C=C[C@H](CO)NC1CC(C)(C)CC(C)(C)C1 336731921 FMHVKLCGGDTHNQ-LLVKDONJSA-N 225.376 2.728 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@H](C)[C@H]1CCCOC1 336733668 GORGLQJQRDQRIR-FQUUOJAGSA-N 225.376 2.992 30 20 BFED N#Cc1ccc(N[C@H]2CC[C@H](F)C2)c([N+](=O)[O-])c1 340942369 DQAMTSWHSOXJEX-UWVGGRQHSA-N 249.245 2.769 30 20 BFED C=CCCN(C)c1ccccc1[N+](=O)[O-] 341378858 ONJZECLNYODNSO-UHFFFAOYSA-N 206.245 2.607 30 20 BFED Cc1cc(C(F)(F)F)nc(SCCC#N)n1 345065568 CIPOANLFPZNWIS-UHFFFAOYSA-N 247.245 2.810 30 20 BFED C=CCC(C)(C)C(=O)Nc1cc(O)cc(OC)c1 345956501 GELXPLGADUOFJK-UHFFFAOYSA-N 249.310 2.942 30 20 BFED C=CCOCCCN(C)C[C@@H]1CC=CCC1 348046106 JHZCLIICDNNBQL-CQSZACIVSA-N 223.360 2.867 30 20 BFED CS[C@H](C)CN[C@H]1CCc2ccc(C#N)cc21 353262464 VRBPBSCZMLTRNP-YGRLFVJLSA-N 246.379 2.887 30 20 BFED CC[C@H](NC(=O)CC(C)(C)C#N)C(C)(C)C 353337501 PCICMQUUNPNXRX-JTQLQIEISA-N 224.348 2.867 30 20 BFED C=CCOCC(=O)Nc1ccc(OCC)cc1C 354580819 OVQZRLNXFVPCKC-UHFFFAOYSA-N 249.310 2.535 30 20 BFED CC[C@H](C)[C@H](C)C(=O)N1CCC(F)(C#N)CC1 355989758 HKZGZDIFTVKXGB-QWRGUYRKSA-N 240.322 2.523 30 20 BFED C=C(CC)CN(C)Cc1scnc1C 358495125 HHMXICUHQUYCFD-UHFFFAOYSA-N 210.346 2.850 30 20 BFED CC#CCN1CCC2(CC1)OCc1ccccc12 361342841 RIFINQPVXMHTNT-UHFFFAOYSA-N 241.334 2.531 30 20 BFED C=CCCO[C@@H](C)C(=O)N1CCC(C)=C(C)C1 361354477 XGTZDDHSYPJYRZ-ZDUSSCGKSA-N 237.343 2.536 30 20 BFED C=C(CC)CN[C@@H]1CCCC[C@H]1n1cccn1 362010556 CFPIDGLBASPQKB-ZIAGYGMSSA-N 233.359 2.923 30 20 BFED C#CCCCCN[C@@H]1CCCC12CCOCC2 376589955 LDRMOFXBKAUGHD-CQSZACIVSA-N 235.371 2.729 30 20 BFED CON=Cc1ccc2ccccc2c1O 383716970 WFAUHFKIWSWJDN-UHFFFAOYSA-N 201.225 2.526 30 20 BFED C#C[C@@](C)(CC)NCCCC(C)(C)C#N 384175122 NZNBCOFVEHQKFD-ZDUSSCGKSA-N 206.333 2.708 30 20 BFED C#C[C@@](C)(CC)NCc1ccc(N(C)C)cc1 384189980 VCMWYKIVBYITGY-HNNXBMFYSA-N 230.355 2.644 30 20 BFED C=C(C)CCNC(=O)c1ccc(O)c(Cl)c1 386744965 ZJILOJGJHNMZNH-UHFFFAOYSA-N 239.702 2.742 30 20 BFED C=C(C)COC(=O)c1cc(Cl)c(F)cc1N 393457009 CNORHFPCDREBKK-UHFFFAOYSA-N 243.665 2.794 30 20 BFED C=C[C@H](CO)NCC[C@@H](C)CCC=C(C)C 393761032 WRHSEZCXJXMLBI-UONOGXRCSA-N 225.376 2.896 30 20 BFED CCC[C@@H](C#N)N(C)C(=O)c1sccc1F 410833207 GERAKMRRVHTCGF-QMMMGPOBSA-N 240.303 2.651 30 20 BFED C[C@@H]1CCC[C@H]1Nc1ncc(C#N)cc1F 413130442 YVQXMUNSPFGGSK-LDYMZIIASA-N 219.263 2.693 30 20 BFED CC[C@@]1(C(C)C)C[C@@H]1Nc1nc(C)cc(C#N)n1 413387720 VVXNAYGIQGAMAZ-JSGCOSHPSA-N 244.342 2.893 30 20 BFED CC[C@@H](C#N)Nc1ccccc1OCCF 414161183 ZXEYGKDWRLQOHI-JTQLQIEISA-N 222.263 2.749 30 20 BFED CC[C@H]1CN([C@@H]2CC[C@@H](C#N)C2)C[C@@H](CC)O1 420964918 XMOFIHBSYBISSK-SYQHCUMBSA-N 236.359 2.568 30 20 BFED C=CCCCC(=O)N1C[C@H](CC)O[C@@H](CC)C1 421984863 RPRAIPNQIZDHCI-STQMWFEESA-N 239.359 2.759 30 20 BFED C=CCC[C@@H](CC)N[C@@H]1C[C@H]1C1CCNCC1 423427556 FXJNPSLDWBOIAK-QLFBSQMISA-N 236.403 2.709 30 20 BFED CC[C@H](CC#N)Nc1c(C#N)cccc1[N+](=O)[O-] 425248121 ZSZHDDAOLDBNSN-SNVBAGLBSA-N 244.254 2.571 30 20 BFED C=CC[C@H](C)NC(=O)Nc1nc(CC)cs1 438587167 WZRGYXAVLFQOEY-QMMMGPOBSA-N 239.344 2.792 30 20 BFED N#C[C@H]1CC[C@@H](NCCCNc2ccccc2)C1 442768906 PDEAXJRGIMTNBS-DZGCQCFKSA-N 243.354 2.770 30 20 BFED C=C[C@@H]1OCCC[C@H]1NCCC1CCCC1 451673868 LYSKCADHXXMFFZ-KGLIPLIRSA-N 223.360 2.890 30 20 BFED C=CCC1(NC(=O)N(C)CC)CCCCC1 451940679 MTWXCLYEJUJUNK-UHFFFAOYSA-N 224.348 2.927 30 20 BFED C=CCC1(C(=O)N[C@H](C)C(C)(F)F)CCC1 452838535 AVNJMTAZIPFOLP-SECBINFHSA-N 231.286 2.893 30 20 BFED C=CCCOCCN[C@@H](C1CCC1)C1CC1 453175150 LNUWJGZALPIFBZ-AWEZNQCLSA-N 223.360 2.747 30 20 BFED C=CC(C)(C)CNC(=O)N(C)CC1CCC1 455371650 SPTODFWWUCZDIT-UHFFFAOYSA-N 224.348 2.640 30 20 BFED C=C(CC)CNC(=O)C[C@H]1CC[C@H](C)C1 456809937 DAPZDOGAOJZMEG-RYUDHWBXSA-N 209.333 2.895 30 20 BFED C=CC(C)(C)CNC(=O)N[C@H]1C[C@@]1(C)C(C)C 458994268 YORXHWYQGURUIN-FZMZJTMJSA-N 238.375 2.932 30 20 BFED C=CCN(CCc1ccco1)C[C@@H]1C[C@@H]1C 488557612 LMNNELDQUFIPST-STQMWFEESA-N 219.328 2.966 30 20 BFED COc1ccc(CN(C)[C@@H]2CC2(C)C)cc1C#N 489414750 OUQNXZKIVJRNAY-CQSZACIVSA-N 244.338 2.797 30 20 BFED C#C[C@H](CC)NC(=O)Nc1cc(F)ccc1C 491096894 XPDUHXXSQADRRH-LLVKDONJSA-N 234.274 2.667 30 20 BFED C#C[C@H](CC)NC(=O)Nc1cc(C)ccc1OC 491475187 UOTOPKOISSTIOO-LLVKDONJSA-N 246.310 2.537 30 20 BFED C#C[C@H](C)N(C)C(=O)C[C@H](CC)C(C)C 491764102 CPRGUJLGPKXXHE-RYUDHWBXSA-N 209.333 2.539 30 20 BFED C#C[C@H](C)N(C)C(=O)Nc1ccc(F)c(C)c1 491776725 ZVOAPFZSUWAYAH-JTQLQIEISA-N 234.274 2.620 30 20 BFED C=CCN(CC=C)Cc1cnc2cccc(C)n12 505841989 AWVZZMSAIDQWST-UHFFFAOYSA-N 241.338 2.817 30 20 BFED CCC[C@H](C#N)NC(=O)C[C@H](C)c1ccccc1 523701651 CKLKYZVHEIYVSW-GXTWGEPZSA-N 244.338 2.989 30 20 BFED CC#CCNC(=O)N[C@@H](CCC)CCCC 534206999 FDCRXCAMNVOWLE-LBPRGKRZSA-N 224.348 2.668 30 20 BFED CC(F)(F)CNc1ccc(C#N)c([N+](=O)[O-])c1 564588002 KCBFEBLHNJTIMW-UHFFFAOYSA-N 241.197 2.534 30 20 BFED CC#CCCOc1cccc2c1OCCC2 566796025 FWRJNVOYJQAMGL-UHFFFAOYSA-N 216.280 2.804 30 20 BFED CC1CC(C#N)(C(=O)N2CC(C)(C)[C@@H]2C2CC2)C1 567998797 GJKJSZCKRMFUQV-JYHUIVOISA-N 246.354 2.573 30 20 BFED C=CCC1(CN[C@H]2CCC[C@H](N)C2)CCCC1 575072304 XIXPVAQVZNPVJN-KBPBESRZSA-N 236.403 2.982 30 20 BFED C[C@@H]1C[C@H]1c1ccc(CNCC2(C#N)CC2)o1 581108840 KMCQYODUWRUXQM-ZYHUDNBSSA-N 230.311 2.796 30 20 BFED N#CC1(CCOCc2ncc[nH]2)CCCCC1 591371726 YBIHRLLMQGCPKL-UHFFFAOYSA-N 233.315 2.790 30 20 BFED CC[C@H](C#N)C(=O)N1CC[C@@H]1c1cccc(F)c1 593493278 IPVYTSSWKKHROL-ZWNOBZJWSA-N 246.285 2.649 30 20 BFED C=CCCSCCNCc1ncc(C)s1 594959768 CTLSAMXYCBMARY-UHFFFAOYSA-N 242.413 2.850 30 20 BFED N#Cc1ccsc1C(=O)N1C[C@@H]2CCCC[C@@H]21 597828769 JLRQRPZRFWGNSS-QWRGUYRKSA-N 246.335 2.634 30 20 BFED CC[C@H](C)N(CC)C(=O)c1cc(O)cc(C#N)c1 597857820 TZXJNODVJCWZAR-JTQLQIEISA-N 246.310 2.524 30 20 BFED N#CC[C@@H]1CCCN(C(=O)CCC2CCC2)C1 597908495 UHPUHDKSEQBTMY-ZDUSSCGKSA-N 234.343 2.719 30 20 BFED N#C[C@H](SCc1ccc2c(c1)OCO2)C1CC1 601082914 VBAPICBOBNABEG-ZDUSSCGKSA-N 247.319 2.951 30 20 BFED CC[C@@H](C)Cc1noc(C2(C#N)CCCC2)n1 601398694 JBMOQSYWIVTFFL-SNVBAGLBSA-N 233.315 2.994 30 20 BFED CC[C@H](C)CCCCC(=O)Nc1n[nH]cc1C#N 601638364 HDQAWQQBWGPMDJ-JTQLQIEISA-N 248.330 2.826 30 20 BFED Cc1nc(CNC[C@@H](C)CCC#N)sc1C 602557988 NAZPHTVNBBHUQP-VIFPVBQESA-N 237.372 2.789 30 20 BFED CCN1CCC(c2ccc(C#N)cc2)CC1 616619828 ZJRICOCNZKESHV-UHFFFAOYSA-N 214.312 2.758 30 20 BFED C=CCC(C)(C)C(=O)N[C@@H](CO)CCC(C)C 628712622 OPEGKXCSOWTMSL-GFCCVEGCSA-N 241.375 2.502 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1nccc(C2CC2)n1 637537115 WGIAOHANCIUDQR-CQSZACIVSA-N 245.326 2.895 30 20 BFED C=CCC1(NC[C@@H]2CCO[C@H]2C)CCCC1 639826687 HQSZKSBRQAFBNK-STQMWFEESA-N 223.360 2.890 30 20 BFED C=CCCCCn1cc(-c2ccnn2CC)nn1 640938933 GHGFQMZHASNDRO-UHFFFAOYSA-N 245.330 2.518 30 20 BFED C=CC[C@@H](Cc1ccccc1)NC[C@H](O)CC 644672547 YJAMIDBPNDLVNG-LSDHHAIUSA-N 233.355 2.534 30 20 BFED C=C(C)[C@@H](CO)N1CCCc2c(C)cccc21 649313085 QDDXGUFASMYECZ-OAHLLOKOSA-N 231.339 2.685 30 20 BFED C=C[C@](C)(CC)C(=O)N1C[C@H](CC)OC[C@@H]1C 650475949 VHUPCKOACAZCQB-SGMGOOAPSA-N 239.359 2.615 30 20 BFED C=CCCNC(=O)N[C@@H]1C[C@]1(C)c1ccccc1 660742461 PHNIHRCLAYYJJQ-UKRRQHHQSA-N 244.338 2.592 30 20 BFED C=CCCNC(=O)N(CC)Cc1ccccc1 661572489 OXRXNRFHQRBXTM-UHFFFAOYSA-N 232.327 2.794 30 20 BFED CC1(C)CC[C@H](CC(=O)NO)c2ccccc21 671996378 SLUKURDQWSZIBL-SNVBAGLBSA-N 233.311 2.737 30 20 BFED C=CCCCCNC(=O)[C@H](C)c1ccco1 681145980 LFARCWXJCABGLI-LLVKDONJSA-N 221.300 2.856 30 20 BFED C#CCCCCNC1CCC(F)(F)CC1 688324897 PCYQJEHKKVDTKV-UHFFFAOYSA-N 215.287 2.957 30 20 BFED C=CCCC(C)(C)CNc1nccnc1C(=O)O 703995588 IVOKAVPESCWOJK-UHFFFAOYSA-N 249.314 2.579 30 20 BFED Cc1ccc(C#N)cc1NC(=O)c1ccns1 705429775 AOMXNTPQJWLREN-UHFFFAOYSA-N 243.291 2.576 30 20 BFED CCCCCCCNc1ncnc2c1ncn2C 720208798 UOFZRUIKZIZXTC-UHFFFAOYSA-N 247.346 2.746 30 20 BFED C[C@@H](C#N)OC(=O)C[C@H](C)c1ccccc1F 726843530 RDWCUNQEMSROSY-UWVGGRQHSA-N 235.258 2.775 30 20 BFED CCOc1ccc(C=NNC2CCCC2)cc1 727652163 FLDZATMYWTXHFE-UHFFFAOYSA-N 232.327 2.951 30 20 BFED C=CCCSCc1ccc(-c2nn[nH]n2)cc1 735416077 CHEONGHVJPJLIA-UHFFFAOYSA-N 246.339 2.676 30 20 BFED CC(C)C[C@@](C)(C#N)NC(=O)C[C@@H](C)C1CC1 749614804 FXKUXNJXSOOODR-RISCZKNCSA-N 236.359 2.867 30 20 BFED C(=NNC1CCOCC1)[C@@H]1C[C@@H]1c1ccccc1 755767674 CWEIXNZFXGDCFG-DZGCQCFKSA-N 244.338 2.545 30 20 BFED C=CCN(C(=O)C[C@@H](C)c1ccncc1)C(C)C 759059559 CLNVJRUWHCUDSJ-CYBMUJFWSA-N 246.354 2.998 30 20 BFED C#CCON=Cc1ccc(C(C)C)cc1 766058877 IGLPKKDOABAKNG-UHFFFAOYSA-N 201.269 2.794 30 20 BFED CC(CCN(C)C)=NNc1cc(C)ccc1F 767386754 WHESBDNOUBDNSG-UHFFFAOYSA-N 237.322 2.874 30 20 BFED CC[C@H](C#N)OC(=O)[C@H](F)c1ccccc1 769307925 WXOVRNBUDLAJQV-GHMZBOCLSA-N 221.231 2.543 30 20 BFED C[C@@H]1CCCC(=NNCC(F)(F)F)[C@@H]1C 769820784 DEIHOAKJJGCGLK-HTQZYQBOSA-N 222.254 2.950 30 20 BFED C=CCN(C[C@H](O)c1ccccc1F)C1CC1 772379737 AUQCBJQEZYHIQM-AWEZNQCLSA-N 235.302 2.510 30 20 BFED C#C[C@H](N[C@@H]1CCCC(C)(C)C1)[C@H]1CCCO1 775573289 GONJPSBSCQZJAF-HZSPNIEDSA-N 235.371 2.726 30 20 BFED COC(=O)c1cccc(NN=C[C@H]2C[C@H]2C)c1 779826258 JJOJJUKCWOSTLD-MWLCHTKSSA-N 232.283 2.527 30 20 BFED CC[C@H](C)[C@@H](C)C(=O)OCC1(C#N)CC1 780235151 MGECEDXZUDTSGK-VHSXEESVSA-N 209.289 2.516 30 20 BFED C=C(Cl)CNC(=O)N1CCC[C@H](C(C)C)C1 780991065 XGKROVNBEBIOPY-NSHDSACASA-N 244.766 2.817 30 20 BFED CC(=NNc1ccnc(F)c1)c1ccc(F)cn1 781126473 BQXSWCCUSMCYLR-UHFFFAOYSA-N 248.236 2.591 30 20 BFED CCc1ccc(C=NNc2ccnc(F)c2)o1 781127636 PPFGSZKGLZVEEE-UHFFFAOYSA-N 233.246 2.822 30 20 BFED CC(C)OCCC(=O)OCCCC(C)(C)C#N 782725004 GOTBXYGDGNNLEM-UHFFFAOYSA-N 241.331 2.675 30 20 BFED CN(C)c1ccc(C=NOCCC2CC2)cc1 783552754 JFDJGPQCICDVIA-UHFFFAOYSA-N 232.327 2.903 30 20 BFED C=C[C@@H]1CCCCN1C(=O)/C(=C\C)CC 785860001 WZZXGBKISOHQMN-CSXHZRMWSA-N 207.317 2.910 30 20 BFED CCON=C(C)c1cnn(C(C)C)c1C 787152292 SXNXKJHOGXXGIT-UHFFFAOYSA-N 209.293 2.533 30 20 BFED CC(C)CNN=C1CCC2(CCCO2)CC1 788025368 UMMRMNKZTIOZCO-UHFFFAOYSA-N 224.348 2.711 30 20 BFED C/C=C(/CC)C(=O)OCc1cccc(C#N)c1 789223680 CCQFMRCUWAHDTG-DXNYSGJVSA-N 229.279 2.958 30 20 BFED Cc1n[nH]c(C)c1C=NNCC1(C)CCCC1 793083694 FWFBWZALSVGNEB-UHFFFAOYSA-N 234.347 2.530 30 20 BFED CC(=NN[C@@H](C)C(C)(C)C)[C@H]1CCCOC1 793111523 ILLZNIJCDDDIAW-RYUDHWBXSA-N 226.364 2.813 30 20 BFED C=CCC1(C(=O)OC[C@@H]2CCO[C@@H]2C)CCC1 793426310 NKRJWFNQAYVOBC-NEPJUHHUSA-N 238.327 2.701 30 20 BFED Cn1cc2c(n1)CC/C(=C/c1cccs1)C2=O 794962349 OPEKYJQLEMJVBH-CLFYSBASSA-N 244.319 2.694 30 20 BFED C#CCCCCNC(=O)NC[C@H]1CCC[C@H]1C 798436014 CXIQYEDTCPEBJA-CHWSQXEVSA-N 236.359 2.525 30 20 BFED FCCC[C@@H]1CCCC1=NNc1cccnn1 800812347 BOSLJEMAKKDQFZ-JTQLQIEISA-N 236.294 2.794 30 20 BFED CC#CC(=O)Nc1c(C)noc1-c1ccccc1 801193002 ZAQGBFOJEKYECO-UHFFFAOYSA-N 240.262 2.612 30 20 BFED CCCCC[C@H]1CCCN1CCO[C@@H](C)C#N 801928921 BHYRMZJVVYTOOI-KBPBESRZSA-N 238.375 2.960 30 20 BFED CC[C@@](C)(C#N)C(=O)NCc1c(C)cccc1C 802763692 ZOHRWLPCWJMOAF-HNNXBMFYSA-N 244.338 2.860 30 20 BFED C[C@@H]1CCCC[C@H]1C=NN[C@H]1CCSC1 808000730 SZRVFZQXIDNWAI-WOPDTQHZSA-N 226.389 2.894 30 20 BFED C#C[C@@H](NC(=O)NCCCC1CC1)C(C)(C)C 808272409 CSBGPGXJXGSFLE-GFCCVEGCSA-N 236.359 2.524 30 20 BFED C#CCCOc1cccc2c1[C@H](O)CC(C)(C)O2 810009860 KPVFAGCGOIRHLZ-LLVKDONJSA-N 246.306 2.683 30 20 BFED C#Cc1ccccc1CC(=O)O[C@H]1CC[C@@H](C)C1 810659635 XSHINEJHEBCSGD-DOMZBBRYSA-N 242.318 2.942 30 20 BFED C=CCCCCOC(=O)c1ccnc(N(C)C)c1 811011028 LHWCIAJJPGPFJX-UHFFFAOYSA-N 248.326 2.661 30 20 BFED COCC[C@H]1CCCC1=NOCCOC(C)C 812237686 BUXIWOXDLGXVIZ-GFCCVEGCSA-N 243.347 2.621 30 20 BFED Cc1nn(C(C)C)cc1C=NOCC1CC1 814241209 JXWSAEUFCBXVRH-UHFFFAOYSA-N 221.304 2.533 30 20 BFED CC[C@H]1CC(=NOCCC2CC2)CCO1 814245773 HNSKSQIPNDOEOA-LBPRGKRZSA-N 211.305 2.748 30 20 BFED CCCCCNC(=O)C#Cc1ccc(CC)cc1 814358766 SKAFHHVCUMFXMI-UHFFFAOYSA-N 243.350 2.907 30 20 BFED Cc1sccc1C=NNC1CCCC1 814832686 KLQAJKJDAWTHTD-UHFFFAOYSA-N 208.330 2.923 30 20 BFED FC(F)(F)CON=C1C[C@H]2CC[C@H]1C2 814881547 YYCJGQKCQTYKAJ-BQBZGAKWSA-N 207.195 2.741 30 20 BFED CC[C@H](C)CON=C1CC[C@H](CC(=O)O)[C@H]1C 814939521 STDVJUVIDAKKSV-HBNTYKKESA-N 241.331 2.926 30 20 BFED C=CCC(F)(F)C(=O)N[C@@H]1CC[C@H](C)C1 816333642 RITIJVOLUQWFFD-DTWKUNHWSA-N 217.259 2.503 30 20 BFED CO[C@H]1CCCCC1=NN[C@@H](C)c1ccncc1 819816218 YXFCSXNUUBGUTD-FZMZJTMJSA-N 247.342 2.677 30 20 BFED CC(C)[C@H](C#N)OC(=O)[C@@H]1CCCC[C@@H]1C 819980955 YYSRDVIYDOLCFS-TUAOUCFPSA-N 223.316 2.904 30 20 BFED C#CCCCCNC(=O)[C@H](CC)CCC 820838376 XEFJDWMNGWWKJI-GFCCVEGCSA-N 209.333 2.732 30 20 BFED CC[C@@H](C)[C@H](C)NC(=O)C#Cc1cccs1 825405170 KJGZJUAQCQHPTE-MNOVXSKESA-N 235.352 2.650 30 20 BFED C#Cc1cccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c1 826099630 FPOASSLIIFAGGY-OWCLPIDISA-N 225.335 2.946 30 20 BFED COc1cc(F)cc(C=NNC2CCCC2)c1 834954496 QTMNOFVSBPMWGQ-UHFFFAOYSA-N 236.290 2.700 30 20 BFED Clc1cnc2oc(C=NNC3CC3)cc2c1 834970302 ZWQHZUFYWFLUBG-UHFFFAOYSA-N 235.674 2.567 30 20 BFED C=CCON=C1CCCc2nc(CC)sc21 835016013 QMKLPOKFTQKLBI-UHFFFAOYSA-N 236.340 2.949 30 20 BFED N#CCCCOC(=O)[C@H]1CCCCC1(F)F 835265384 PVWCLJUYEFXOMB-SECBINFHSA-N 231.242 2.659 30 20 BFED CC(C)(C#N)C(=O)OC[C@H]1CCCCC1(F)F 835643479 RDZZTWHXEFLCTC-SECBINFHSA-N 245.269 2.905 30 20 BFED C#C[C@H](C)NC(=O)N[C@@H](CCC)C(C)(C)C 836406136 HTAQWGAEIQIXKW-QWRGUYRKSA-N 224.348 2.522 30 20 BFED C[C@@H](c1ccccc1F)N(C)C(=O)C#CC1CC1 837331063 IYAUEZGTYCZAGV-NSHDSACASA-N 245.297 2.759 30 20 BFED C=CCONC(=O)NCC1CCC(C)(C)CC1 838709208 SANONFHOFSNMLF-UHFFFAOYSA-N 240.347 2.620 30 20 BFED C#CCCNC(=O)N[C@@H](CCC)C1CCCC1 838778032 IWILTHAMLFFVNR-ZDUSSCGKSA-N 236.359 2.668 30 20 BFED C=C(Cl)CN[C@H](C(C)C)[C@@H](CO)C(C)C 839615398 UJTAKRWCJMVWKT-NWDGAFQWSA-N 233.783 2.618 30 20 BFED C=C(Cl)CN[C@@H](C(C)C)[C@@H](CO)C(C)C 839615401 UJTAKRWCJMVWKT-RYUDHWBXSA-N 233.783 2.618 30 20 BFED CC(=NNCCC(C)(C)C)c1cc2n(n1)CCC2 841631801 LDPNSEPTRYRNPI-UHFFFAOYSA-N 248.374 2.579 30 20 BFED C=C(CC)COC(=O)[C@@H]1C[C@H]1C1CCC1 845220569 KZJBFUYJYUEQKZ-NWDGAFQWSA-N 208.301 2.932 30 20 BFED Cn1c(C=NOCC(F)F)cc2ccccc21 853333764 RRWJCCVMWDNNDK-UHFFFAOYSA-N 238.237 2.794 30 20 BFED C#Cc1cccnc1N1CC[C@H](C2CCC2)C1 853693385 PUFAMOGGRVZCBZ-AWEZNQCLSA-N 226.323 2.689 30 20 BFED CC1(C)C[C@]1(C#N)NC(=O)c1ccc(CF)cc1 854530811 BIJTYXZPLJPWTJ-CQSZACIVSA-N 246.285 2.578 30 20 BFED C#C[C@](C)(CC)NC(=O)/C=C/C(=C\C)CC 854699122 PIRVSPZFOCJMBL-LWWMHVSPSA-N 219.328 2.817 30 20 BFED C=CCC1(NC(=O)[C@H]2CCC=CO2)CCCC1 855927089 CEDLQPHHENRPOC-GFCCVEGCSA-N 235.327 2.684 30 20 BFED C#C[C@H](C)N(C)C(=O)OCC1CCCCC1 859136166 PHUNQVBCNPVRDJ-NSHDSACASA-N 223.316 2.657 30 20 BFED CCCCCCCNC(=O)[C@@H](C(C)C)N(C)C 862358691 QXUJSUUENZLKPM-CYBMUJFWSA-N 242.407 2.659 30 20 BFED CCCCC=NNc1nc(C)cc(C)n1 864346333 TUQAAYMVEWPLCY-UHFFFAOYSA-N 206.293 2.681 30 20 BFED C=CCN(C(=O)c1ccc(F)c(C=O)c1)C(C)C 865163512 LGIWLZAPNBEDFI-UHFFFAOYSA-N 249.285 2.675 30 20 BFED C[C@@H]1OCC[C@H]1CON=Cc1cccs1 871721088 JLAPERHVNHGVHV-UWVGGRQHSA-N 225.313 2.524 30 20 BFED O=C(O)c1ccc(NN=C2CCC[C@H]2F)cc1 872324014 IEZLLWAORXNSCG-SNVBAGLBSA-N 236.246 2.675 30 20 BFED C=CCCCCC[C@@H](C)NC[C@H]1C[C@H](N)C1 873258628 SXGBWWWYHPSVJI-MGPQQGTHSA-N 224.392 2.838 30 20 BFED C#CCCN(C[C@@H](C)CCC#N)CC(F)(F)F 877390425 KGKPBNHOSHOECV-NSHDSACASA-N 246.276 2.814 30 20 BFED C#C[C@H](CC)N[C@@H](C)[C@H](OC)c1ccccc1 877513496 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C[C@@H](c1ccc(C#N)cc1)N1CCCC1 118390211 JAINNRNETLKAGJ-NSHDSACASA-N 200.285 2.715 30 20 BFED CC#CCNC(=O)[C@@H](C)CCCCCC 120952080 JVYUAOSSCQATHE-LBPRGKRZSA-N 209.333 2.732 30 20 BFED CCCC(C#N)(CCC)NC(=O)Cc1ccoc1 121411590 FWILUEUNPWFYJH-UHFFFAOYSA-N 248.326 2.801 30 20 BFED C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]1c1ccco1 121488792 NOBXLWLCZSRPJM-VXGBXAGGSA-N 233.311 2.808 30 20 BFED C[C@@H]1CC[C@@H](OC(=O)CSCC#N)[C@H](C)C1 122861491 OFTQRSKALWKJFD-GMTAPVOTSA-N 241.356 2.611 30 20 BFED N#Cc1ccc(CN2CCC3(CCC3)C2)cc1 123448821 MIQPCCZXVUVHDC-UHFFFAOYSA-N 226.323 2.934 30 20 BFED C=CC1CCN(C(=O)c2ccc(F)cc2O)CC1 123757926 NYYHCVCOFFREBJ-UHFFFAOYSA-N 249.285 2.570 30 20 BFED Cc1ccc(F)cc1C(=O)N[C@](C)(C#N)C(C)C 124952554 ZJMXKJYRZJALKH-CQSZACIVSA-N 248.301 2.802 30 20 BFED C=C[C@@H](C)N[C@H](C)CCc1ccc(O)cc1 125728331 KFSYAOITVGILRN-VXGBXAGGSA-N 219.328 2.877 30 20 BFED CCCCc1ccc(NC(=O)/C=N/OC)cc1 126137834 HLFFOXHCXFWNSD-GXDHUFHOSA-N 234.299 2.600 30 20 BFED CC1CC(C#N)(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)C1 126323066 NJIXDNCTEPCLSL-NCBWTUBMSA-N 248.370 2.867 30 20 BFED N#Cc1cccc(Sc2cccc(O)c2)n1 126666486 YUPKYZMFYWMSQI-UHFFFAOYSA-N 228.276 2.810 30 20 BFED Cc1cc(C(=O)NC2(C#N)CCCCC2)co1 130320145 PKYWEMKUSXIAPX-UHFFFAOYSA-N 232.283 2.544 30 20 BFED C=C[C@@H](C)NC(=O)NCCC1=CCCCC1 130719396 WKWVQGHULURYNB-LLVKDONJSA-N 222.332 2.751 30 20 BFED C=CCOc1ccc(CNC[C@H]2C[C@H]2C)cc1 133188268 ICAUDINMJLETQA-TZMCWYRMSA-N 231.339 2.997 30 20 BFED CC1(C)CCC[C@H](Nc2nccnc2C#N)C1 149834038 ZZJJYEJVYIZBNW-JTQLQIEISA-N 230.315 2.729 30 20 BFED CC1CC(C#N)(C(=O)N2CC[C@@H](C)C[C@H]2C)C1 156936062 BPWHKBFXBFSMKG-KTEZZQQRSA-N 234.343 2.573 30 20 BFED C=C[C@H](C)N[C@@H]1Cc2ccc(Cl)cc2C1 157273918 NUMCMVMULAQIME-TVQRCGJNSA-N 221.731 2.971 30 20 BFED CC#CCN1CCC[C@@H]1c1ccc(F)cc1 157554952 BMMDNFUDUBGJCA-CQSZACIVSA-N 217.287 2.986 30 20 BFED Cn1cc(CSc2cccc(C#N)c2)cn1 158698178 DPKUCZRXPISACZ-UHFFFAOYSA-N 229.308 2.584 30 20 BFED C=CC[C@H](C)NCCc1ccc([N+](=O)[O-])cc1 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C#CCCCC(=O)N1CCC[C@@](C)(CC)C1 192139151 SOCYPWGSXGTZQD-CQSZACIVSA-N 221.344 2.829 30 20 BFED C=C(C)COC(=O)c1ccc(C(C)=O)cc1 193340885 DIJDNSUJSSJRSW-UHFFFAOYSA-N 218.252 2.622 30 20 BFED C=CC[C@@H](C)[C@@H](C)N[C@@H]1CC[C@H](C(=O)OC)C1 193885982 CILIUURBJZJBIY-FVCCEPFGSA-N 239.359 2.518 30 20 BFED N#Cc1cnc(N2CCC[C@H]3CCCC[C@H]32)cn1 226107571 WAUNTPXGDWXBBT-DGCLKSJQSA-N 242.326 2.507 30 20 BFED CCCC[C@@H](CC)CNC(=O)[C@H](C#N)CC 232979558 NNDQFIJYUMCUAV-NEPJUHHUSA-N 224.348 2.869 30 20 BFED N#Cc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 247662613 UGFCVKNPANNUOO-SGMGOOAPSA-N 240.306 2.933 30 20 BFED CC[C@@H]1CCCN(C[C@@H](C#N)CCC#N)C1 248901210 RYMPTAGZZRKIKC-CHWSQXEVSA-N 219.332 2.552 30 20 BFED Cc1cccc(/C=C\C(=O)c2cnn(C)c2)c1C 255255960 ZQFXESBRQLMUMP-FPLPWBNLSA-N 240.306 2.933 30 20 BFED Cc1ccc2cc(C(=O)NCCCC#N)[nH]c2c1 259543407 ABDKBBFOTMVUPU-UHFFFAOYSA-N 241.294 2.510 30 20 BFED N#Cc1cn[nH]c1NCc1ccc(Cl)cc1 259792413 TYAFDKUYXQGHQP-UHFFFAOYSA-N 232.674 2.547 30 20 BFED 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CCCCCCCNC1(C(=O)O)CCCC1 769751158 GSORMKPCCBHHCM-UHFFFAOYSA-N 227.348 2.944 30 20 BFED CC1(C)CCCC1=NNCC(F)(F)F 769807952 DTAVIHLJPJIOMA-UHFFFAOYSA-N 208.227 2.704 30 20 BFED Cc1ccccc1C(=O)/C=C\c1ccn(C)n1 773153163 APMMRZVEXGEOHC-FPLPWBNLSA-N 226.279 2.625 30 20 BFED C=C(CC)COC(=O)c1ccc(CC#N)cc1 773542956 XKJGPSLSBNTKJV-UHFFFAOYSA-N 229.279 2.876 30 20 BFED Cn1cccc1C(=O)O[C@@H](C#N)C1CCCCC1 776354880 PADJSISKPSNXLB-ZDUSSCGKSA-N 246.310 2.654 30 20 BFED COC[C@H](C)C(C)=NOCCC(F)(F)F 777455271 CKXXIWHOCQMUQQ-ZETCQYMHSA-N 227.226 2.614 30 20 BFED CC[C@@H]1CCCCC1=NN[C@H]1CCCOC1 780264103 YLSJKWAYFGFSAW-NEPJUHHUSA-N 224.348 2.711 30 20 BFED C#CCCCN1CC[C@@H](COc2ccccc2)C1 780371752 YYLLTRLHALMYKE-OAHLLOKOSA-N 243.350 2.801 30 20 BFED CC[C@@H](C#N)OC(=O)c1ccc(Cl)c(C#N)c1 781211044 UEAKFTVHZAJJQF-JTQLQIEISA-N 248.669 2.671 30 20 BFED CC#CCCOC(=O)c1ccc(OC)cc1C 782146522 AKKQOSNULMHBBK-UHFFFAOYSA-N 232.279 2.574 30 20 BFED CCCNN=C/C(C)=C/c1cccc([N+](=O)[O-])c1 787154118 VFOGFMYPQPZPIE-NVVJJCHSSA-N 247.298 2.984 30 20 BFED CC(C)Cc1ccccc1C(=O)NCCC#N 787620549 ZQPRIEWAUAMMOI-UHFFFAOYSA-N 230.311 2.529 30 20 BFED C=CCCOC(=O)[C@@H](C)N1CCc2ccccc21 788134193 AWXCZNSOXIVKRL-GFCCVEGCSA-N 245.322 2.557 30 20 BFED Cc1n[nH]c(C)c1C=NNc1cccc(Cl)n1 793175403 UFBLADIPXVHPMB-UHFFFAOYSA-N 249.705 2.521 30 20 BFED Cc1cc(C=NNc2ncccc2F)c(C)n1C 794994158 UIFNVVDBFUHPAT-UHFFFAOYSA-N 246.289 2.622 30 20 BFED CC(=NNc1cccc(F)n1)c1cccc(O)c1 795008231 ZEQGOFXISZLNTC-UHFFFAOYSA-N 245.257 2.762 30 20 BFED C[C@@H](OC(=O)c1ccc[nH]1)c1cccc(C#N)c1 797858275 WNDPYDDVNBNTST-SNVBAGLBSA-N 240.262 2.804 30 20 BFED FC(F)C1CCC(=NN=c2cc[nH]cc2)CC1 799486113 YVQZWNSCTYMHHW-UHFFFAOYSA-N 239.269 2.727 30 20 BFED C=C(C)CN(CC)C(=O)c1cc(C)cc(C)n1 800827013 OZKQHFXSCSQUFA-UHFFFAOYSA-N 232.327 2.737 30 20 BFED C=C[C@@](C)(CCOC)C(=O)OCCCCF 803452139 FPKCIKOGFRCVML-LBPRGKRZSA-N 232.295 2.508 30 20 BFED C=C(C)CCOC(=O)c1ccc(F)c(C#N)c1 803528819 LJASHXDYEFBECF-UHFFFAOYSA-N 233.242 2.820 30 20 BFED Cc1oc(C(C)C)cc1C(=O)O[C@@H](C)C#N 803717022 LOJCEVFEDQOBOG-QMMMGPOBSA-N 221.256 2.780 30 20 BFED CC1(C)CC[C@H]1/N=C\c1ccccc1O 804599441 YUTXHORBDCGHLA-OJLMPMFISA-N 203.285 3.000 30 20 BFED C=CCCCCOC(=O)c1cccn1C 811012342 IIVVFYDWIQUSSN-UHFFFAOYSA-N 207.273 2.538 30 20 BFED CC(=NNC[C@H]1CCSC1)c1cccs1 811659895 ASOKDBPGSXBOQC-SNVBAGLBSA-N 240.397 2.815 30 20 BFED CC1CC(OC(=O)/C=C/c2ccccc2C#N)C1 813231260 YJGZKBFVZARZTP-VOTSOKGWSA-N 241.290 2.913 30 20 BFED C=CCCCCCOC(=O)c1cccc(O)n1 814472958 YAURBNYWIYXMMC-UHFFFAOYSA-N 235.283 2.690 30 20 BFED CC(C)OC1CC(=NOC2CCCC2)C1 814893084 CTYKKVQIBGWNRF-UHFFFAOYSA-N 211.305 2.889 30 20 BFED C#CCN(CC)Cc1cc2cc(Cl)cnc2o1 823419150 TXFLZGJGUXMFBU-UHFFFAOYSA-N 248.713 2.936 30 20 BFED C=CCCC(C)(C)NC(=O)c1cc(Cl)no1 824748998 SATGWWZZXVYKNN-UHFFFAOYSA-N 242.706 2.803 30 20 BFED C/C(=C\C(=O)N(CCC#N)C(C)C)c1ccco1 825043434 DOMUCEJJVOSUNX-ZRDIBKRKSA-N 246.310 2.834 30 20 BFED C#C[C@H](NC(=O)NCCCC=C)c1ccccc1 826651787 FDRXUFYLLFDFKD-AWEZNQCLSA-N 242.322 2.626 30 20 BFED C#Cc1cnc(N[C@H](C)C[C@@H](C)CC)nc1 827691546 ZENZJXCXLXWAHS-WDEREUQCSA-N 217.316 2.695 30 20 BFED CC(C)C#CC(=O)NCCCC(C)(C)C 828443526 PAVXZPAWSWUQLI-UHFFFAOYSA-N 209.333 2.588 30 20 BFED CCO[C@H]1CC(=NOC(C)C)C12CCC2 835000711 QLBOLJGWXNRUFB-NSHDSACASA-N 211.305 2.747 30 20 BFED C=CCONC(=O)c1cc(CCC)c(C)s1 837044195 KKINETOJXWGGER-UHFFFAOYSA-N 239.340 2.856 30 20 BFED C=C(CC)COC(=O)COC(C)(C)CC 838409348 YLZZHGOWKQPDIW-UHFFFAOYSA-N 214.305 2.701 30 20 BFED C#CCC[C@@H](C)OC(=O)c1ccc2c(c1)CCO2 839034627 QQCATRCHYWXIBQ-LLVKDONJSA-N 244.290 2.580 30 20 BFED CCCC(=NNC(=S)N(C)C)[C@H]1CC1(C)C 841623827 RLSZLXNYNHFLMF-SECBINFHSA-N 241.404 2.625 30 20 BFED C=C(C)[C@@H](C)OC(=O)CCc1scnc1C 842334426 ULKGKNCLCHSYFB-SNVBAGLBSA-N 239.340 2.892 30 20 BFED CC(C[C@H](C)CC(C)C)=NN(C)[C@H](C)CO 842540637 AYDIZRKHCIYOOJ-DGCLKSJQSA-N 228.380 2.747 30 20 BFED CCCON=C1CC[C@@H](C(=O)OCC)C[C@@H]1C 842552871 GHYBQOIGMSYTAB-WDEREUQCSA-N 241.331 2.768 30 20 BFED CCCON=C(C)c1nc2ccccc2n1C 842565373 GIJCFBIGPMNWBC-UHFFFAOYSA-N 231.299 2.724 30 20 BFED C#CC(C)(C)NC(=O)[C@H](C)c1ccc(Cl)cc1 844384442 GHSSYKXOBWLOCE-SNVBAGLBSA-N 249.741 2.972 30 20 BFED N#CCCCOC(=O)[C@@H]1CCc2ccccc2C1 845214142 IVELTBWNHGRGRY-CQSZACIVSA-N 243.306 2.638 30 20 BFED C=C(C)CONC(=O)N[C@H](C)C[C@@H](C)CC 845599179 SNJZFCDCQLEVTQ-WDEREUQCSA-N 228.336 2.618 30 20 BFED C=C[C@@H](C)ONC(=O)c1cccc(C(F)F)c1 846546295 UUEGKHFNENBQMU-MRVPVSSYSA-N 241.237 2.860 30 20 BFED C/C=C(/CC)C(=O)Nc1cc(C)c(C#N)cn1 847133414 PQZJENZEEPDVGY-WMZJFQQLSA-N 229.283 2.557 30 20 BFED C[C@H](O)c1cc(NCC2(CC#N)CC2)ccc1F 849316526 GASPGHPDBAJHHI-JTQLQIEISA-N 248.301 2.985 30 20 BFED C=CC(C)(C)CCOC(=O)c1cccnc1OC 851299394 JZCKJNNZYVATOE-UHFFFAOYSA-N 249.310 2.849 30 20 BFED CN(CCON=CC1CC1)Cc1ccccc1 853736200 PTCKSCPTRASZQN-UHFFFAOYSA-N 232.327 2.531 30 20 BFED C#CCCCCNC(=O)N(CC)[C@@H](C)CC 853852399 HUIZCPBBGVJUDP-LBPRGKRZSA-N 224.348 2.620 30 20 BFED C=CCCCC(=O)Nc1ccc(N)c(C)c1 854009813 GZDNIINAHMAHLY-UHFFFAOYSA-N 218.300 2.872 30 20 BFED C=CCCONC(=O)c1ncsc1C(C)C 856035517 BSSBGZOWVQSKFZ-UHFFFAOYSA-N 240.328 2.504 30 20 BFED C=CCOC(=O)CCc1cccc(OCC)c1 860171535 RJJQEQOWMXBOGF-UHFFFAOYSA-N 234.295 2.747 30 20 BFED CCC(C#N)(CC)C(=O)OC[C@@H]1C[C@@H]2C[C@@H]2C1 860880385 UYIRXQVYCSOUMG-CNDDSTCGSA-N 235.327 2.906 30 20 BFED CCCCCCCNC(=O)c1ccc(C#N)[nH]1 862358147 WIBRGSAKQYRHRH-UHFFFAOYSA-N 233.315 2.587 30 20 BFED CC[C@H](C)c1ccc(C(C)=NNCCO)cc1 863115521 RIERJRUWAKBWIC-NSHDSACASA-N 234.343 2.506 30 20 BFED COc1ccc(NC2CCSCC2)cc1C#N 865861041 JAWFCWKTMQEMER-UHFFFAOYSA-N 248.351 2.874 30 20 BFED CCCCCCCCNC(=O)/C=C/COC 866961101 ZEJQHBXEBKTWEF-MDZDMXLPSA-N 227.348 2.666 30 20 BFED CC1(C)CC(=NOCCC2CC2)CCO1 872378841 RMHOPIOODFEQOX-UHFFFAOYSA-N 211.305 2.748 30 20 BFED C=C[C@@H](C)ON=C(C)c1cc(O)ccc1F 872387530 SCAVRVYOCNMMRF-MRVPVSSYSA-N 223.247 2.846 30 20 BFED CCON(CC)[C@@H](C)c1ccc(C#N)cc1 879796194 OQIYOKRAEBARBP-NSHDSACASA-N 218.300 2.893 30 20 BFED C#Cc1cccc(CNc2cc(C3CC3)ncn2)c1 882432003 LDGKEXQEZROYMF-UHFFFAOYSA-N 249.317 2.947 30 20 BFED CCC#CCOC(=O)C[C@@H](C)c1c(C)noc1C 893841196 SVMSRNAYTCCADW-SNVBAGLBSA-N 249.310 2.742 30 20 BFED C[C@]1(C(=O)Nc2ncc(C#N)s2)CC=CCC1 896492404 DAVYOSOYIGHXIE-LBPRGKRZSA-N 247.323 2.700 30 20 BFED C#CCN(CCCc1cnccc1C)C(C)C 897171089 PYZGEEPXWIDMOV-UHFFFAOYSA-N 230.355 2.666 30 20 BFED CC(C)n1cc(/C=C/c2nc(C#N)cs2)cn1 901544866 VNYJYBHGSIRMQT-ONEGZZNKSA-N 244.323 2.963 30 20 BFED C=CCC[C@@H](N[C@H](CC)CCCC)C(=O)O 901690534 PLTPUMNKGVHHGJ-VXGBXAGGSA-N 227.348 2.964 30 20 BFED COc1cccc([C@H](C)NCC(C)(C)C#N)c1O 903101373 GKUMXNKBPFWPGM-JTQLQIEISA-N 248.326 2.601 30 20 BFED C=CCCCN(CC)[C@@H](CC(C)C)C(=O)O 903712905 VCKWZCVEQLRTRE-LBPRGKRZSA-N 227.348 2.774 30 20 BFED C=C[C@@H](CC)CC(=O)N(CC#N)c1ccccn1 905997768 BJNHBCQMERGFRR-LBPRGKRZSA-N 243.310 2.540 30 20 BFED CC[C@H](N[C@H](C)CC(C)(C)C#N)[C@H]1CCCO1 925632519 ACOVHUMBYLAYEH-FRRDWIJNSA-N 238.375 2.862 30 20 BFED CCc1noc(C)c1CN[C@@H](C)CC(C)(C)C#N 926483556 XSAPPOQAMAGMSS-JTQLQIEISA-N 249.358 2.963 30 20 BFED C=C[C@H](CC)CC(=O)N1CCn2cccc2[C@@H]1C 929903851 RNHBEMXDJQVZGB-QWHCGFSZSA-N 246.354 2.994 30 20 BFED CC(C)CN(CCC#N)C(=O)CCC1(C)CC1 930901995 MFMLSOJPHCSCIO-UHFFFAOYSA-N 236.359 2.965 30 20 BFED N#Cc1c(NC/C=C/C2CC2)nc2ccccn12 1117703926 JVQMSFOLRJQJLO-ONEGZZNKSA-N 238.294 2.584 30 20 BFED C=CC[C@H](CC)NC(=O)c1cc(C)nc(C)c1 1120646630 CCADZWUJGBSSFG-ZDUSSCGKSA-N 232.327 2.783 30 20 BFED N#CCc1cccc(N[C@@H]2CCCC[C@H]2F)n1 1162508777 SGJJYLMXBVDGKN-VXGBXAGGSA-N 233.290 2.840 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)c1oc(C)cc1C 1262813196 RJRGBCPCACAPBI-NSHDSACASA-N 234.299 2.661 30 20 BFED C#CCCCCNCc1cc(O)cc(Cl)c1 1334730872 WYWXFQWAIKGNRO-UHFFFAOYSA-N 237.730 2.939 30 20 BFED C#Cc1ccc(NC(=O)NC/C=C/C2CC2)cc1 1335271867 CQCOWTYIIXWERX-ONEGZZNKSA-N 240.306 2.756 30 20 BFED C=C(C)CCC(=O)N[C@H](CO)c1ccccc1C 1337155932 GPTGMXGERMNKFV-CQSZACIVSA-N 247.338 2.501 30 20 BFED C=CC1(OC(=O)c2cc(C)c(C)o2)CC1 1343953474 OLRYHDSITLEAMM-UHFFFAOYSA-N 206.241 2.772 30 20 BFED C=C(CC)C(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1 1347149746 UZIVJHVHTBWCLK-STQMWFEESA-N 219.328 2.600 30 20 BFED C=C[C@H](C(=O)NC1C[C@@H]2C[C@H]2C1)c1ccccc1 1347195593 WTWJKVBWEBMDNS-YDHLFZDLSA-N 241.334 2.871 30 20 BFED N#Cc1ncccc1SCc1ccns1 1559412448 NFZPJHOITPHJJT-UHFFFAOYSA-N 233.321 2.702 30 20 BFED CC(C)(C#N)CCCCN1C2CCC1(CN)CC2 1575081595 KMMQKJKTWLEEOF-UHFFFAOYSA-N 249.402 2.662 30 20 BFED C=C[C@H](Nc1ccc(OCCC)cc1C)C(=O)O 1588702716 WLHPRDKSVDZLBP-LBPRGKRZSA-N 249.310 2.835 30 20 BFED C=CCC[C@H]1CCCN1Cc1ccc(C(=O)O)o1 1776170660 FRWUOOURNBZEQA-NSHDSACASA-N 249.310 2.908 30 20 BFED Cc1nnc(N[C@@H]2CCCC[C@H]2C)c(C#N)c1C 24052952 CPNCAEBXHCWKIE-NOZJJQNGSA-N 244.342 2.956 30 20 BFED C[C@@H](N[C@H]1CCSC1)c1ccc(C#N)cc1 36991828 LZXJTBWOKCNAFE-MFKMUULPSA-N 232.352 2.714 30 20 BFED C=C(Cl)CNCc1cccc(OCC)c1 37681465 ZLBDIPKCAWMIGZ-UHFFFAOYSA-N 225.719 2.927 30 20 BFED C#Cc1cccc(NC(=O)c2ncccc2C)c1 51813773 YSONLXLISGNQOA-UHFFFAOYSA-N 236.274 2.624 30 20 BFED N#Cc1nccnc1Sc1ccccc1F 54380486 FNNNQDFJNVJTRF-UHFFFAOYSA-N 231.255 2.639 30 20 BFED N#CCCN(Cc1ccco1)C(=O)C1CCCC1 57614513 VZUNNAKGFDPNSU-UHFFFAOYSA-N 246.310 2.712 30 20 BFED C#CCN[C@H](c1ccccc1)C(C)(C)C 70184936 ZGGADNBPFQAVMQ-CYBMUJFWSA-N 201.313 2.997 30 20 BFED C=CCCN[C@H]1CCc2ccccc2C1 70592243 QSNZYZZDDLLUCJ-AWEZNQCLSA-N 201.313 2.710 30 20 BFED C[C@@H]1CCC[C@@H]1Nc1ncccc1C#N 70833178 ZJNICTPYIPUTTF-KOLCDFICSA-N 201.273 2.554 30 20 BFED Cc1ccc(C)c(CC(=O)NCCCCC#N)c1 70940410 DLSOSHDWIGCZOC-UHFFFAOYSA-N 244.338 2.656 30 20 BFED CC(C)(C)CC(=O)N(CC#N)c1ccccc1 72679992 SMYGCGODKIASQM-UHFFFAOYSA-N 230.311 2.979 30 20 BFED COc1ccc(C=O)cc1OCCC(C)(C)C#N 87592248 CQOZOXHDHHYSRK-UHFFFAOYSA-N 247.294 2.826 30 20 BFED CC1(C)CCCN(C(=O)C(C)(C)C#N)CC1 87658034 IMTLIWYVVRTDIS-UHFFFAOYSA-N 222.332 2.575 30 20 BFED CCN(CCC#N)C(=O)c1cccc2cc[nH]c12 88732934 GRSOXNYNJDJNHV-UHFFFAOYSA-N 241.294 2.544 30 20 BFED CCc1[nH]c2ncc(Cl)cc2c1C#N 95937216 KQOKKHAZNHSRTQ-UHFFFAOYSA-N 205.648 2.650 30 20 BFED C#CCN(CC)C(=O)c1ccccc1SC 108951022 PDSYIXOVRLJOIG-UHFFFAOYSA-N 233.336 2.504 30 20 BFED CCCCCCCN1C(=O)N[C@@H](C(C)C)C1=O 123861610 QSFIJHMMKBVSFZ-NSHDSACASA-N 240.347 2.533 30 20 BFED C=CCCOCCNC[C@H]1CCC[C@H](C)C1 124450058 NMGRHZPZGQRPGS-KBPBESRZSA-N 225.376 2.995 30 20 BFED C[C@@H](C#N)CNCc1ccc(C(F)F)cc1 124595299 GLEQILIFYHZKAJ-VIFPVBQESA-N 224.254 2.873 30 20 BFED C[C@H]1CC[C@@H](CNc2ccc(F)cc2C#N)O1 128570010 GCKLJRSHJANBIK-CABZTGNLSA-N 234.274 2.677 30 20 BFED C=CCC[C@@H](O)CN(C)c1ccc(OCC)cc1 130456847 WIMLWMMMEDEORD-CQSZACIVSA-N 249.354 2.849 30 20 BFED C#CCCCCC(=O)Nc1c(C)noc1C1CC1 135594410 RZIBXZHVSFVJCH-UHFFFAOYSA-N 246.310 2.993 30 20 BFED CCCCCCCC(=O)N[C@](C)(CN)C1CC1 148902584 BCYFKKBHIPILBV-CQSZACIVSA-N 240.391 2.591 30 20 BFED CCC1(CO)CCN(c2ccc(C#N)cc2)CC1 153555887 IAQCSBLKFVZVKT-UHFFFAOYSA-N 244.338 2.547 30 20 BFED C=C[C@H](C)NC(=O)c1cc(C)c(CC)s1 154001347 DWOLVCKYDDTBOB-VIFPVBQESA-N 223.341 2.923 30 20 BFED C#CCOCCC(=O)O[C@@H](CC)c1ccccc1 160916291 FMUOPFHLKTZPCK-AWEZNQCLSA-N 246.306 2.721 30 20 BFED CC(C)(C)C[C@@H](CO)Nc1ccc(C#N)cc1 161402623 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BFED C[C@@H](NC[C@@H]1CCSC1)c1cccc(C#N)c1 226383758 AOAQMMXRXOGROH-YPMHNXCESA-N 246.379 2.962 30 20 BFED C=CCSCCNc1ncccc1F 227774229 DTEBHEOKTXZVSL-UHFFFAOYSA-N 212.293 2.552 30 20 BFED CCN(c1nc(C)cc(C#N)n1)C1CCCCC1 231895965 OHLWYIGDRYDYDC-UHFFFAOYSA-N 244.342 2.816 30 20 BFED CCCC[C@H](CC)CNc1nccc(C#N)n1 233056092 BGAYKAGAUYSUKB-NSHDSACASA-N 232.331 2.977 30 20 BFED CC[C@H]1C[C@H]1Nc1nccc(C#N)c1Cl 234138245 GWJUJNJQYNBRRB-IONNQARKSA-N 221.691 2.817 30 20 BFED COc1cc(CN2C[C@@H](C)[C@H](C)C2)ccc1C#N 235007159 JSCKMHXHJIUDIX-VXGBXAGGSA-N 244.338 2.655 30 20 BFED C#CCCCCN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C 245886083 LNWTXCOEIRPKOH-BFHYXJOUSA-N 235.371 2.583 30 20 BFED C=C(C)COC(=O)/C=C\c1ccccc1C#N 255063587 UJGLKLNACJHQND-FPLPWBNLSA-N 227.263 2.691 30 20 BFED C[C@@H](CC#N)NC(=O)/C=C\Sc1ccccc1 255605122 XBFKZXWBNALGGE-IEHMKBBKSA-N 246.335 2.711 30 20 BFED C#CCCCOC(=O)/C=C\c1ccccc1C#N 255628200 FJBIJENHRJWWSH-KTKRTIGZSA-N 239.274 2.528 30 20 BFED CCN(CCC#N)C(=O)/C=C/c1cccc(F)c1 264014050 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30 20 BFED C=CCCCCCN[C@@H]1CCC[C@]1(C)CO 309492371 SNCNEHWSELWYAL-ZIAGYGMSSA-N 225.376 2.874 30 20 BFED C=CCC(C)(C)CNCc1ccccn1 310575281 PMIAULNWRMCVEP-UHFFFAOYSA-N 204.317 2.774 30 20 BFED C=C(CC)CNc1cccc(OC)c1[N+](=O)[O-] 313508561 WSYWSDGNZVZLGP-UHFFFAOYSA-N 236.271 2.982 30 20 BFED N#CC1(/N=C(/O)[C@@H]2CCCSC2)CCC1 329769808 IEICYAXEELQDQT-SECBINFHSA-N 224.329 2.532 30 20 BFED C[C@@H]1CC[C@H](N/C(O)=N/[C@H](C)c2cccnc2)C1 331221819 KFMVECDWWVLMKD-WZRBSPASSA-N 247.342 2.835 30 20 BFED C[C@@H]1CC[C@H](C(=O)N[C@]2(C#N)CC2(C)C)C[C@H]1C 332016818 UYKZDHPIIRPFTH-FJJYHAOUSA-N 248.370 2.867 30 20 BFED C=C1CCN(Cc2nc(C)sc2C)CC1 334150037 JZIIIXJHCRVCCA-UHFFFAOYSA-N 222.357 2.912 30 20 BFED CC[C@H]1CCCN1Cc1ccc(C#N)s1 334823321 ZHCUNTHUZDVZLF-JTQLQIEISA-N 220.341 2.994 30 20 BFED C[C@]1(NCc2ccc(C#N)o2)CC=CCC1 335237403 FDPKBBRAAUPQIV-ZDUSSCGKSA-N 216.284 2.740 30 20 BFED C[C@H]1CCC(=O)[C@@H](Oc2ccc(C#N)cc2)C1 336193946 GEHDIGQVVSXTMY-HZMBPMFUSA-N 229.279 2.695 30 20 BFED 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237.730 2.640 30 20 BFED C=C(CC)COC(=O)c1cc(F)ccc1N 390183978 KURMWWISDDRMGF-UHFFFAOYSA-N 223.247 2.531 30 20 BFED O=C(O)CC1CCC(=NOC/C=C\Cl)CC1 393976235 WIETYZQFAFQQCM-LWAPHQOESA-N 245.706 2.776 30 20 BFED N#C[C@@H]1CCCN(C[C@@H]2CC=CCC2)C1 402169247 AWBCRYWTGLBRFE-OLZOCXBDSA-N 204.317 2.578 30 20 BFED N#Cc1ncc(C(F)(F)F)cc1NCC1CC1 413040495 JWKFXRJRJIYLRO-UHFFFAOYSA-N 241.216 2.794 30 20 BFED CC1(C)C[C@@H](CNc2ccc(C#N)nc2)CCO1 413342334 VJMORQVRMWFUSO-NSHDSACASA-N 245.326 2.570 30 20 BFED C[C@H](CN[C@@H]1CC[C@@H](C#N)C1)CC(F)(F)F 414265355 LKFAPGWZXRCXJL-IVZWLZJFSA-N 234.265 2.857 30 20 BFED C=CCn1cc(CNCCC2CCCCC2)nn1 425354585 NFQAXNCVZJVUIA-UHFFFAOYSA-N 248.374 2.524 30 20 BFED COC(=O)c1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 442883025 UBZOFDWNRCIGAG-ZWNOBZJWSA-N 244.294 2.577 30 20 BFED C=C(C)CCNCc1cn2cc(C)ccc2n1 449472974 GTGBTLWUDWHJDP-UHFFFAOYSA-N 229.327 2.699 30 20 BFED C=C[C@@H]1OCC[C@H]1NCc1cccc2cc[nH]c12 449517741 HHOUHAKAVUBUSX-KGLIPLIRSA-N 242.322 2.601 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@H](CC)CCCC 449521166 QZMQNAJEJUIODN-UPJWGTAASA-N 211.349 2.888 30 20 BFED C=CCC1(CN[C@@H](C)COC)CCCC1 449606649 RQVRMHLOZVYBKP-LBPRGKRZSA-N 211.349 2.747 30 20 BFED C=CC[C@H](C)NC(=O)[C@@H]1C[C@H]1CC(C)C 449886313 GVDKTMQMXOHIIA-QJPTWQEYSA-N 209.333 2.749 30 20 BFED N#Cc1cccc(OC[C@H]2C[C@H]3CC[C@H]2O3)c1 450592704 HNBFFTTZUXJXRK-MRVWCRGKSA-N 229.279 2.505 30 20 BFED N#C[C@@H]1CC[C@H](N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3CC2)C1 451320359 PUMXHWNJCOXZMX-NMHRLERGSA-N 242.366 2.823 30 20 BFED C=CC(C)(C)CNC(=O)c1cnn(C(C)(C)C)c1 452773280 AKFKHRWHDYAEAN-UHFFFAOYSA-N 249.358 2.580 30 20 BFED C=CCOCCCC(=O)N[C@]1(C)CC=CCC1 458313166 NDPNVGHFUFCCCZ-CQSZACIVSA-N 237.343 2.584 30 20 BFED C=CCCCCNC(=O)[C@H](C)CCCOC 471717004 QCMNQMWZEHYHBM-GFCCVEGCSA-N 227.348 2.522 30 20 BFED C#CCN(C)C(=O)CCCCC(C)(C)C 491125641 FZQZXDDHWBUCDU-UHFFFAOYSA-N 209.333 2.685 30 20 BFED C#C[C@H](C)N(C)C(=O)c1c(F)cccc1Cl 491715759 QRXAYLSHKYCLKN-QMMMGPOBSA-N 239.677 2.573 30 20 BFED C=CCN(CC=C)C(=O)N[C@H]1CCC(C)(C)C1 511366908 LKLCMHONNVJOFE-LBPRGKRZSA-N 236.359 2.949 30 20 BFED C=CCCC[C@H](C)N1CC[C@H](C(=O)O)[C@H]1C 516077169 YHHOMOBOGOWRDP-TUAOUCFPSA-N 225.332 2.526 30 20 BFED C=C[C@@H]1OCCC[C@H]1N[C@H](C)CCc1ccco1 521970228 VGVMYUUEKKDLCJ-YUELXQCFSA-N 249.354 2.924 30 20 BFED C[C@@H](C(=O)NC1(C#N)CC1)c1cccc(Cl)c1 525679288 CFBRWGYAHFCTTL-SECBINFHSA-N 248.713 2.616 30 20 BFED CC(C)SCC(=O)N(C)c1ccccc1C#N 533113957 VSDBZUFOGFLPLG-UHFFFAOYSA-N 248.351 2.663 30 20 BFED CC#CCNC(=O)N1CCC[C@@H]1CCCCC 536460959 YSDUMYAOIRBKMC-ZDUSSCGKSA-N 236.359 2.764 30 20 BFED C=CC[C@@H](CC)NC[C@@H](O)CCc1ccccc1 566125167 QFAVQEZAQQAVHK-CVEARBPZSA-N 247.382 2.924 30 20 BFED C=CCCCCSCCC(=O)N(C)CC 566963890 RHTAFRHOBWEXRJ-UHFFFAOYSA-N 229.389 2.944 30 20 BFED C#CCCC/N=C\c1cc(Cl)ccc1O 588565465 ZVUWAXQMJHYYJZ-ZROIWOOFSA-N 221.687 2.878 30 20 BFED C[C@H]1CCN(C(=O)CCCCCC#N)C[C@H]1C 588663260 MDMRUZXIGYWOEM-QWHCGFSZSA-N 236.359 2.965 30 20 BFED C[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@@H]1C 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2.757 30 20 BFED CC1CC(Nc2nccc(C#N)c2Cl)C1 232859217 QPCLUCPQUAKPDK-UHFFFAOYSA-N 221.691 2.817 30 20 BFED N#Cc1c(F)cccc1N[C@H](CN)C1CCCC1 236169269 RNZZRRMRGHIGSM-CQSZACIVSA-N 247.317 2.627 30 20 BFED C=CCCCCCN1CCC[C@@H](CC(=O)O)C1 236428229 HSVJSBYDJUCDGT-ZDUSSCGKSA-N 239.359 2.920 30 20 BFED CC[C@H]1CC[C@H](C(=O)N[C@H](C)CC#N)CC1 249786033 MDQUFEVPUYNGIM-IJLUTSLNSA-N 222.332 2.621 30 20 BFED C/C(=C/C(=O)N[C@@H](C)CC#N)c1ccc(F)cc1 255102587 JPQFPACEDUIHJC-JUDLJHIGSA-N 246.285 2.647 30 20 BFED C=CCc1ccccc1OCc1nnc(CC)o1 269396560 FAOAESUIEKBNFJ-UHFFFAOYSA-N 244.294 2.940 30 20 BFED CN(CCC1CC1)Cc1ccc(OCC#N)cc1 269714768 RBBFDMHEPUWHIP-UHFFFAOYSA-N 244.338 2.821 30 20 BFED C=C[C@@H](CC(=O)N1CCC1)c1ccccc1 270263580 YEGNFJPDXLBZQC-LBPRGKRZSA-N 215.296 2.579 30 20 BFED C=CCCN(C)Cc1ccccc1NC(C)=O 276131190 LPCNTZOIDDHFKP-UHFFFAOYSA-N 232.327 2.653 30 20 BFED C#CCCCC(=O)Nc1c(F)cc(F)cc1F 277116409 YFCVDCWHWVOOEU-UHFFFAOYSA-N 241.212 2.846 30 20 BFED CSc1ccc(NC(=O)CC(C)(C)C#N)nc1 279188260 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30 20 BFED C#C[C@H](Nc1cnc2ccccc2n1)C(C)C 302315031 IWBIUUWXOYZQPJ-NSHDSACASA-N 225.295 2.700 30 20 BFED N#CCSc1ccc(Cl)cc1C#N 307075736 FIBAUFLZNAWKOI-UHFFFAOYSA-N 208.673 2.827 30 20 BFED CCOC[C@H](C)Nc1cc(C)cc(C#N)c1 308109005 SRRMTWBFGAQSHY-NSHDSACASA-N 218.300 2.704 30 20 BFED CC[C@@H](C#N)Sc1nnc(NC(C)C)s1 308900330 BFEPKAXNSZZMOT-ZETCQYMHSA-N 242.373 2.753 30 20 BFED C=CCCN[C@H]1CCc2cccc(O)c21 308907901 FDRLYSGZHGEERW-NSHDSACASA-N 203.285 2.545 30 20 BFED CC(C)(CCC#N)CNCC1(C(F)F)CC1 309375259 RDVAGGDBSXBHJB-UHFFFAOYSA-N 230.302 2.951 30 20 BFED C=CCC[C@H](NC[C@@H](OC)C(C)C)C1CC1 309576798 PETQYNWGWABPEX-UONOGXRCSA-N 225.376 2.992 30 20 BFED C=C[C@@H](COC)N[C@@H](C)c1ccnc(Cl)c1 309577362 PJMLYIAOMAZDPT-ONGXEEELSA-N 240.734 2.587 30 20 BFED C[C@H](CNc1ncccc1C#N)C(F)(F)F 309583132 QZMUKGWTUOYVJM-SSDOTTSWSA-N 229.205 2.564 30 20 BFED C=CCC(C)(C)CN[C@@H]1C[C@H](C)N(C2CC2)C1 310583245 SJEIDAFUKWMZHV-QWHCGFSZSA-N 236.403 2.804 30 20 BFED C=CCC[C@H](CO)NCc1cccc2cc[nH]c12 320417375 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226.389 2.656 30 20 BFED C=C[C@H]1CCCCN1CCOCC(C)C 337366187 KXKWRONLHRKNLH-ZDUSSCGKSA-N 211.349 2.700 30 20 BFED Cc1cccc(N(C)CC(C)(C)C#N)c1[N+](=O)[O-] 338730552 VXSKDTBMNUQKDQ-UHFFFAOYSA-N 247.298 2.889 30 20 BFED CCc1cc(NC(=O)C(C)(C)C#N)ccc1F 340744874 VCCHMFFZKBZYMS-UHFFFAOYSA-N 234.274 2.876 30 20 BFED C=CC[C@H](C)NC(=O)C[C@H](C)n1nc(C)cc1C 342358998 KUKMOIGPGLVFOC-GWCFXTLKSA-N 249.358 2.532 30 20 BFED C=CCCO[C@H](C)C(=O)N(C)[C@@H]1CC[C@@H](C)C1 346904527 AUBGTZSEOKITNB-JHJVBQTASA-N 239.359 2.615 30 20 BFED C[C@H](C#N)C(=O)N(C)CCCCc1ccccc1 347061356 FKSHKESULBNOJN-CYBMUJFWSA-N 244.338 2.627 30 20 BFED C=CCOCCCN1CC[C@@H]1Cc1ccccc1 348050720 LEJGSRRHXNCVTB-MRXNPFEDSA-N 245.366 2.896 30 20 BFED C=C(C)CCN1CCC[C@@H](N2CCCC2)CC1 352046010 JQKOMEUAMFCTGB-OAHLLOKOSA-N 236.403 2.903 30 20 BFED C=CCOCC(=O)Nc1cc(Cl)ccc1C 354257121 XJTARLVSNQHYRC-UHFFFAOYSA-N 239.702 2.790 30 20 BFED C=CC[C@@H](C)NC(=O)c1cccc(C(C)C)n1 354871831 OHLPYSVAYCHVBQ-LLVKDONJSA-N 232.327 2.899 30 20 BFED 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2.994 30 20 BFED CCC[C@@H](C#N)NC(=O)c1cc[nH]c1C(C)C 570787333 CAMXFOHYQSAHBI-JTQLQIEISA-N 233.315 2.560 30 20 BFED CCC[C@H](C#N)NC(=O)c1cc2sccc2[nH]1 581465276 IOJRLOSUVCYTOR-MRVPVSSYSA-N 247.323 2.651 30 20 BFED N#C[C@@H]1CC[C@H](N2CCc3ccccc3CC2)C1 583545502 QSLIWHKZEIUVST-CJNGLKHVSA-N 240.350 2.779 30 20 BFED N#CCCCCCC(=O)NC[C@H]1CC=CCC1 588154063 RXRBDZCRGHLNIH-ZDUSSCGKSA-N 234.343 2.933 30 20 BFED C=C(C)c1ccc(S(=O)(=O)C(C)(C)C#N)cc1 592989303 OFOZVMIBXFVBMT-UHFFFAOYSA-N 249.335 2.796 30 20 BFED C=C(C)CSCCc1cncc(C)n1 593189730 ZOGXRCFAXDUODP-UHFFFAOYSA-N 208.330 2.637 30 20 BFED N#C[C@@H]1CCC[C@@H](NC2(C3CCC3)CC2)C1 593716445 CKRVCGIDKZRADJ-DGCLKSJQSA-N 218.344 2.991 30 20 BFED C=CCNC(=O)CSCCCC1CCC1 596395235 PBVJAFXRNIGWMC-UHFFFAOYSA-N 227.373 2.602 30 20 BFED C=CCCNC(=O)CCSCCCC 597971246 BGRCKVQTTXLKHH-UHFFFAOYSA-N 215.362 2.602 30 20 BFED Cc1cc(NC(=O)CC(C)(C)C#N)cs1 601875711 DGKZMXLLGHKXCZ-UHFFFAOYSA-N 222.313 2.935 30 20 BFED CCC(C#N)(CC)C(=O)Nc1c(C)noc1C 602250826 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229.323 2.967 30 20 BFED C=C(C)C(C)(C)C(=O)NC[C@H](C)c1ccncc1 644665013 YKXHSMXQMMZBDK-LBPRGKRZSA-N 246.354 2.904 30 20 BFED C=CCN1C[C@@H](C(F)(F)F)CC[C@@H]1C 679545498 KJDOCNZJHGRDQM-IUCAKERBSA-N 207.239 2.835 30 20 BFED C#Cc1cccc(NCCOCC2CCC2)c1 690468683 FIYXOHLJHKXHQC-UHFFFAOYSA-N 229.323 2.897 30 20 BFED CCc1ccc([C@@H](C)C(=O)O[C@H](C)C#N)cc1 727923931 VBZMWQYUTLKGPR-GHMZBOCLSA-N 231.295 2.808 30 20 BFED C#CCOc1cccc(OC(=O)/C=C/C=C\C)c1 730501011 VLVZLAMAUOXHSY-UTMABKKZSA-N 242.274 2.736 30 20 BFED CON=C(C)c1ccccc1OC(F)(F)F 730948065 WNXLEQANLXOADC-UHFFFAOYSA-N 233.189 2.956 30 20 BFED CCCNN=C(CCOC)c1ccc(F)cc1 734746901 XYPRXMFQUZXGOQ-UHFFFAOYSA-N 238.306 2.566 30 20 BFED Cn1ccnc1C(=O)/C=C/c1ccc(F)cc1F 735792869 MUBLUKCEWRRYSC-HWKANZROSA-N 248.232 2.594 30 20 BFED C=CCCC(=O)O[C@@H](C)c1ccc(C(=O)O)o1 736097450 LYSKKIKXLUDQDM-QMMMGPOBSA-N 238.239 2.548 30 20 BFED C=C(C)CNC(=S)N[C@H](C)C[C@@H](C)CC 743004706 JBVWVMYVYJMWJF-WDEREUQCSA-N 228.405 2.851 30 20 BFED CCCCCC[C@@H](C)NN=Cc1cnn(C)c1 743450429 KWXKTOUMNKQYJE-GFCCVEGCSA-N 236.363 2.703 30 20 BFED C/C(=C\C(=O)OCC1(CC#N)CC1)C1CC1 744275389 DTGNPJZLIPBFFE-CSKARUKUSA-N 219.284 2.580 30 20 BFED C=CCN1C[C@H](C)Oc2cc(C)ccc21 748835171 WCKCEGKOSYWVDO-NSHDSACASA-N 203.285 2.768 30 20 BFED C=C(C)CNC(=S)Nc1cccc(C)c1O 748999852 HIOYVRDELNROKU-UHFFFAOYSA-N 236.340 2.563 30 20 BFED C#CCN(C(=O)/C=C\SC)C1CCCCC1 751574519 VOPCUIXBLJWJIV-LUAWRHEFSA-N 237.368 2.658 30 20 BFED C#CC(=O)Nc1sc(-c2ccccc2)nc1C 752945412 VJLLKAKDQSMUMY-UHFFFAOYSA-N 242.303 2.690 30 20 BFED CC(C)c1cnc(CN(C)[C@@H](C)CC#N)o1 755027136 SMXTXTVAINFKNF-JTQLQIEISA-N 221.304 2.532 30 20 BFED C1C[C@@H]2[C@@H]3C[C@H](CC3=NNC3CCOCC3)[C@H]2C1 757591344 FMFNKCGBFGCORZ-ZZVYKPCYSA-N 248.370 2.567 30 20 BFED COc1ccc(Cl)cc1C=NOCC(F)F 758909148 BFPCZSRHYYNMNS-UHFFFAOYSA-N 249.644 2.964 30 20 BFED N#C[C@@H](C(=O)C1CCCCCC1)c1ccncn1 760340712 NRMNMQRHTIKZHL-GFCCVEGCSA-N 243.310 2.623 30 20 BFED C#CCCCC(=O)Nc1ncccc1C(C)C 760473615 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CC[C@H](C)CON=C1C(=O)Nc2c(C)cccc21 793146474 SURISGCWGBJLIM-VIFPVBQESA-N 246.310 2.714 30 20 BFED C#CCN(CC)C(=O)[C@@H](F)CC1CCCCC1 793178212 QSQPYBBFPQAXHY-ZDUSSCGKSA-N 239.334 2.777 30 20 BFED C[C@@H](Cc1cccc(F)c1)NCC1(C#N)CC1 797605923 YWRYEFGVMMCDRS-NSHDSACASA-N 232.302 2.650 30 20 BFED C#C[C@@H](Nc1ncc(Cl)c(C)c1C#N)C(C)C 798409398 WXDDGAJJELTPAT-GFCCVEGCSA-N 247.729 2.985 30 20 BFED Cc1ccc(NN=C[C@H]2CC[C@@H](C)C2)nn1 800813520 ZDKGIXMCMSIQIU-KOLCDFICSA-N 218.304 2.619 30 20 BFED COC[C@H](C)NN=C(CCC(C)C)C1CC1 802712323 LHBHCZXAJZABLH-NSHDSACASA-N 226.364 2.813 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)C1(F)CCCCC1 810198415 SQDOEFGWPQXOLS-NSHDSACASA-N 240.322 2.667 30 20 BFED C=CCCC[C@H](C)NC(=O)[C@H](F)C(F)(F)F 810910765 ZJWMORZXSRBFGD-YUMQZZPRSA-N 241.228 2.748 30 20 BFED C#C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccc(Cl)cc1 811945554 XAAKFHHBZUWVRJ-XDTLVQLUSA-N 247.725 2.787 30 20 BFED C(=NN1CCOCC1)c1csc2ccccc12 812378789 MIYAROIPOPNGTJ-UHFFFAOYSA-N 246.335 2.567 30 20 BFED 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249.310 2.942 30 20 BFED C[C@H](C#N)OCCN(c1ccccc1)C1CC1 832160228 FTPQYRNOUWMCKS-GFCCVEGCSA-N 230.311 2.584 30 20 BFED CC(C)C#CC(=O)N1CC[C@@H](C)C(C)(C)C1 832181298 LCBXSJXBZKGGCO-GFCCVEGCSA-N 221.344 2.540 30 20 BFED CSc1cc(O)ccc1NC(=O)C#CC(C)C 834393745 YGTVJPALMALOHA-UHFFFAOYSA-N 249.335 2.712 30 20 BFED CC(C)ON=Cc1cnn(Cc2ccccc2)c1 835004716 XBNVHHXXHCQHJL-UHFFFAOYSA-N 243.310 2.690 30 20 BFED C=CCCCC(=O)OC[C@H](CCC)OC 835538791 WZMBZQQVMXSVAQ-NSHDSACASA-N 214.305 2.701 30 20 BFED C=CCCCC(=O)O[C@@H]1C[C@H](OC)C12CCC2 835885643 WBLXREYYVYXBCG-NWDGAFQWSA-N 238.327 2.844 30 20 BFED C#CCCCC(=O)OCCOCC1CCCC1 835983361 RZTDSECSDWPWJA-UHFFFAOYSA-N 238.327 2.540 30 20 BFED CCC1(CNC(=O)C#CC(C)(C)C)CCC1 837460512 ZWILMPKAPKFUTA-UHFFFAOYSA-N 221.344 2.732 30 20 BFED COc1cccc(COC(=O)C#CC(C)(C)C)c1 838373027 SKVBWMWDYFIDAA-UHFFFAOYSA-N 246.306 2.788 30 20 BFED CC#CCCNC(=O)[C@H](C)OCCCCCC 839720942 PKKUHYZKUWBBKF-ZDUSSCGKSA-N 239.359 2.501 30 20 BFED CCn1cncc1C=NN[C@H]1CCCCC1(C)C 841635165 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N#CCc1cccc(N2CCC[C@@H](C3CC3)C2)n1 1346866619 NQAJEQHBDVEZTR-CYBMUJFWSA-N 241.338 2.774 30 20 BFED C=C(CC)C(=O)N1CCOc2c(F)cccc2C1 1548697192 NIPQQTJYZBIIQM-UHFFFAOYSA-N 249.285 2.513 30 20 BFED C=CCC1(C(=O)O)CCN([C@@H](C)CCC)CC1 1776157898 XVRNETCDNQBFOP-LBPRGKRZSA-N 239.359 2.918 30 20 BFED Cc1sc2ncnc(NCCC#N)c2c1C 7979535 NNCJXJJLSBKJBH-UHFFFAOYSA-N 232.312 2.634 30 20 BFED CC[C@@H](C)CN(C)CCOc1cccc(C#N)c1 37173136 JJMOVJXXYOILHV-CYBMUJFWSA-N 246.354 2.915 30 20 BFED COc1ccc(/C=C/C(=O)c2ccncc2)cc1 39121381 BNQUPHFRYOVZEN-QPJJXVBHSA-N 239.274 2.986 30 20 BFED CCC[C@H](C#N)NC(=O)c1cc(C)ccc1C 40352808 RSHSPTUWJVWTOC-GFCCVEGCSA-N 230.311 2.726 30 20 BFED N#Cc1ccc(NCCN2CCCCCC2)cc1 40433504 WAOCWEYMFBKDRP-UHFFFAOYSA-N 243.354 2.846 30 20 BFED C[C@@H](C#N)CN(C)Cc1ccccc1Cl 42207369 PAGQMZFIKZPRLQ-JTQLQIEISA-N 222.719 2.931 30 20 BFED Cc1cccc(NC(=O)N(C)C[C@@H](C)C#N)c1 42749071 ONCVRXWLIANAMM-NSHDSACASA-N 231.299 2.618 30 20 BFED CCC(C#N)(CC)C(=O)N1CCC[C@H](C)C1 44764585 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CCc1nc2c(s1)[C@H](N(C)CCC#N)CCC2 152534974 CRVHPLSQXZTJKH-LLVKDONJSA-N 249.383 2.928 30 20 BFED C#CCCCCNC(=O)c1cccc2[nH]ccc12 156127108 ZTDUBRJKVGPQQF-UHFFFAOYSA-N 240.306 2.701 30 20 BFED Cc1cc(C#N)ccc1CSc1nccn1C 165991274 YSEOGWOCNHEKNA-UHFFFAOYSA-N 243.335 2.893 30 20 BFED N#Cc1c(Cl)cccc1N1CC=CCC1 167726186 LACIRQCXVNTUPS-UHFFFAOYSA-N 218.687 2.978 30 20 BFED C[C@H](C#N)NC(=O)C[C@H]1CCCc2ccccc21 170979396 AFYQNZRBVDFOAD-DGCLKSJQSA-N 242.322 2.525 30 20 BFED C=CCOCCCC(=O)NCCCC(C)(C)C 173691591 ABMAAJBJMIMUQD-UHFFFAOYSA-N 241.375 2.912 30 20 BFED CSCCCO/N=C/c1cccs1 174079409 OWHZENZEZASWHO-CSKARUKUSA-N 215.343 2.852 30 20 BFED COc1cc(C#N)ccc1CN(C)C1CCCC1 179654129 YWWZXHWGTDNACP-UHFFFAOYSA-N 244.338 2.941 30 20 BFED C=C(C)CN(C)C(=O)Nc1ccccc1OC 180016071 TUXVANUGKNLUCO-UHFFFAOYSA-N 234.299 2.735 30 20 BFED CC[C@H]1[C@@H](C)CCN1C(=O)NCCCCC#N 187801659 ZIZWPFMXRKNXGS-RYUDHWBXSA-N 237.347 2.510 30 20 BFED CCCCCCNCc1cc(C#N)n(C)c1 189579079 VYYAJMXUOAKDET-UHFFFAOYSA-N 219.332 2.567 30 20 BFED C=CCCCO[C@@H]1CCCc2c[nH]nc21 190169078 QCLPARMIPMJZAK-LLVKDONJSA-N 206.289 2.770 30 20 BFED C=CCCC(=O)N[C@@H]1CCCc2c(O)cccc21 190285185 IKJIUWNIALPGAF-CYBMUJFWSA-N 245.322 2.852 30 20 BFED C=CCOc1ccc([C@H]2CCOC2)cc1 190310210 KMSDQAYCEPZKLT-LBPRGKRZSA-N 204.269 2.755 30 20 BFED C=C(C)CN(CC)CCCN(CC)CC 191408085 UCFXJZJBBNSOPZ-UHFFFAOYSA-N 212.381 2.616 30 20 BFED C=CCC1(C(=O)N(C)CC2CCC2)CCC1 191581465 XDYMIGGZRKEPMP-UHFFFAOYSA-N 221.344 2.991 30 20 BFED C#CCN(C)Cc1cccc(Cl)c1F 192221610 RRPBLMBUUOIUSC-UHFFFAOYSA-N 211.667 2.544 30 20 BFED C#CCCCC(=O)NC(C)(C)c1ccc(F)cc1 192274208 FBBODPZYRVVICT-UHFFFAOYSA-N 247.313 2.981 30 20 BFED CCN(C(=O)Nc1ccc(CC#N)cc1)C1CC1 192836789 ZEKYEMGJCHTJQW-UHFFFAOYSA-N 243.310 2.769 30 20 BFED CSC1(CNCc2ccc(C#N)o2)CCC1 193646436 OWZUSDOHWAKAOH-UHFFFAOYSA-N 236.340 2.527 30 20 BFED CCCCCCCC(=O)NC[C@H]1CCCOC1 193663548 QSWPETCMGRMHOT-CYBMUJFWSA-N 241.375 2.890 30 20 BFED C#C[C@@H](CC)NCc1cc(Cl)ccc1O 229884986 PEKPBWLFCRGLCA-NSHDSACASA-N 223.703 2.547 30 20 BFED C#CCCCOc1ccc2c(c1)CCC2=O 231761676 QGPWZOOGBATUNC-UHFFFAOYSA-N 214.264 2.608 30 20 BFED CCCCC[S@@](=O)Cc1ccccc1C#N 232991581 KXQFLTUYRSETCY-MRXNPFEDSA-N 235.352 2.997 30 20 BFED C#C[C@@H](CCC)NC(=O)c1ccc(C)c(F)c1 233294956 QVFJNDKBNKHTQS-LBPRGKRZSA-N 233.286 2.666 30 20 BFED C#CCCCN[C@H]1CCC[C@H]1SCC 233985100 JKSSKHGULPWUEI-NWDGAFQWSA-N 211.374 2.664 30 20 BFED COc1ccccc1-c1noc(CCCC#N)n1 234919061 YOXVKUZOGKDEFX-UHFFFAOYSA-N 243.266 2.591 30 20 BFED CCCC1(C/N=C\c2ccc(O)c(O)c2O)CC1 255470075 ISEJROXHLSARLH-NVNXTCNLSA-N 249.310 2.803 30 20 BFED C[C@H](Nc1cc(C#N)ncn1)c1ccccc1 258867230 CPUHIIYBXLWXGV-JTQLQIEISA-N 224.267 2.521 30 20 BFED CN(CCC#N)c1cc(C(C)(C)C)ccn1 260178175 IUTMIHQQCLVDSE-UHFFFAOYSA-N 217.316 2.729 30 20 BFED CCCC(O)(CCC)CNc1ccc(C#N)cn1 265613101 VQSNTSSESSDFSN-UHFFFAOYSA-N 247.342 2.696 30 20 BFED C=CCC[C@@H](O)CN(C)[C@@H]1CCc2ccccc21 268690569 ZUAXGRCVCWOEEP-GDBMZVCRSA-N 245.366 2.933 30 20 BFED C#CCCCNc1ccc(F)c([N+](=O)[O-])c1 270944762 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BFED C=CCOc1ccc(OC(=O)CCCC#N)cc1 291322630 IDJVQDDMQYPIBG-UHFFFAOYSA-N 245.278 2.851 30 20 BFED CS[C@@H]1CCN(c2ccc(F)cc2C#N)C1 294185704 FGGBFTCJAOTNAW-LLVKDONJSA-N 236.315 2.639 30 20 BFED CC1=CCCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 295052591 BOJBIUGKSFEAOS-HNNXBMFYSA-N 244.338 2.639 30 20 BFED C#C[C@H](CCC)NC(=O)[C@H](C)CCCC 300873474 FCWRXSRYHVLJNO-VXGBXAGGSA-N 209.333 2.731 30 20 BFED C=C[C@@H](N[C@H](C)c1ccc(Cl)s1)C(=O)O 301053714 YTWFMVDFQRYFHP-RNFRBKRXSA-N 245.731 2.691 30 20 BFED CCN(CCC(F)(F)F)c1ccc(C#N)cn1 301113340 NULUYHZCCRNYST-UHFFFAOYSA-N 243.232 2.732 30 20 BFED CCc1nc(C#N)cc(N(CC)C[C@H](C)CC)n1 308183911 YCGQWCHNWHSYQI-LLVKDONJSA-N 246.358 2.783 30 20 BFED C=C[C@@H](COC)NCCC1CCCCC1 309214391 UCFIYFWVYRFLDN-ZDUSSCGKSA-N 211.349 2.747 30 20 BFED CCCC[C@@H](CC)CNc1cc(C#N)ncn1 310276328 FWPFDKMSQPVGGV-LLVKDONJSA-N 232.331 2.977 30 20 BFED CCC(C#N)(CC)C(=O)N[C@H]1CCC(F)(F)C1 310353643 RHSQIJXMYVTJDM-VIFPVBQESA-N 244.285 2.620 30 20 BFED C=CCC[C@H](CO)N[C@@H](C)C1CCCCC1 320307180 CGVIBHUKPFKCFC-GXTWGEPZSA-N 225.376 2.872 30 20 BFED C=CCC[C@@H](CO)NCc1cccc(Cl)c1 320583926 YASNZHVOARMSFG-ZDUSSCGKSA-N 239.746 2.757 30 20 BFED OC(=Nc1cccc2ocnc12)[C@@H]1CCCO1 328887554 POBXJFLFYMQDIN-JTQLQIEISA-N 232.239 2.595 30 20 BFED C[C@@H]1C[C@@H]1/N=C(/O)Nc1scnc1C1CC1 328912026 GXEFJWDNGDJJAF-SVRRBLITSA-N 237.328 2.755 30 20 BFED OC(=Nc1ncc(C2CC2)[nH]1)C1[C@H]2CCC[C@H]12 329290294 AKENNGAKATUINJ-IUCAKERBSA-N 231.299 2.921 30 20 BFED C[C@H]1C[C@@H]1c1noc(-c2cccc(CC#N)c2)n1 334141576 LATKXAXUUANEHJ-CABZTGNLSA-N 239.278 2.926 30 20 BFED CC1(C)CCN([C@@H]2CC[C@@H](C#N)C2)CCS1 334251810 ISSYEDJCQGQKCL-VXGBXAGGSA-N 238.400 2.896 30 20 BFED C[C@H]1CC[C@@H](CNC2CCC(C)(C#N)CC2)O1 334886061 FWPZPSRXDRZVJK-AHPWVWPOSA-N 236.359 2.616 30 20 BFED CC1(C)C[C@H](c2ccccc2)N(C(=O)CC#N)C1 335089901 HDLNOVWYQINAIY-CYBMUJFWSA-N 242.322 2.900 30 20 BFED C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1CC12CC2 335160917 XEYHRGWHVDHJAE-NWDGAFQWSA-N 234.343 2.537 30 20 BFED N#Cc1ccncc1N[C@H]1CCC[C@@H](F)C1 335377143 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223.360 2.744 30 20 BFED C=CCCN(Cc1ccccc1)[C@@H](CC)CO 338568843 HEZBVWFERABINE-HNNXBMFYSA-N 233.355 2.836 30 20 BFED CN(CCc1ccccc1O)[C@H]1CC[C@H](C#N)C1 339085841 YAFPVRWZSFPSQZ-JSGCOSHPSA-N 244.338 2.559 30 20 BFED CC(C)[C@H](C)C(=O)N(C1CC1)C1(C#N)CCC1 341611873 VVYZDCNPAIHHJM-NSHDSACASA-N 234.343 2.716 30 20 BFED CC#CCCN[C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 343601575 BVLJCOVSMDPKAV-QLFBSQMISA-N 235.371 2.585 30 20 BFED C=CCOCCCN1CCC[C@H](C)[C@@H]1C 348039407 CYVVGLRCNFZYKX-STQMWFEESA-N 211.349 2.700 30 20 BFED C=C(C)CCc1noc(-c2coc(CC)n2)n1 349771985 PTWONNRUNKMLCD-UHFFFAOYSA-N 233.271 2.796 30 20 BFED C=C(C)CN(C)Cc1ncc(C(C)(C)C)o1 351063215 LDPAYLAFCDIEBK-UHFFFAOYSA-N 222.332 2.980 30 20 BFED C=CCN(CCOC)Cc1ccsc1C 353193815 BWIPCOGNDRLRKF-UHFFFAOYSA-N 225.357 2.691 30 20 BFED CC(C)=CCNC(=O)Nc1ccc(C#N)c(F)c1 353565771 XMGACLRGJDKFQA-UHFFFAOYSA-N 247.273 2.785 30 20 BFED N#Cc1c(COc2ccncc2)cn2ccccc12 356094557 MDWSVTDCGDBVOH-UHFFFAOYSA-N 249.273 2.785 30 20 BFED C=C(CC)CN1CCC[C@@H](c2ccnn2C)C1 358622368 CPWIIIGUZOVANU-CYBMUJFWSA-N 233.359 2.566 30 20 BFED C=C(CC)CSCc1c([N+](=O)[O-])ncn1C 358635238 JYTQMXVTPUZMJO-UHFFFAOYSA-N 241.316 2.528 30 20 BFED C=CC[C@H](C)NC(=O)NC1C(C)(C)C1(C)C 362144793 RTIDQSBUABNUMJ-VIFPVBQESA-N 224.348 2.685 30 20 BFED N#CCCCN1CC[C@H](c2cccc(F)c2)C1 364586079 MHUWJOQFHKIKQH-ZDUSSCGKSA-N 232.302 2.919 30 20 BFED C[C@H]1CCN(C[C@H](C#N)CCC#N)CC12CCC2 367478923 QSOGMFNTPKUSMG-KBPBESRZSA-N 245.370 2.942 30 20 BFED C=C(C)CCNC(=O)c1ccc(Cl)o1 386763299 IVZNVUYGNSRBIU-UHFFFAOYSA-N 213.664 2.629 30 20 BFED C=C[C@H](COC)NCc1cscc1Cl 389237493 WUAHUXTUIOYKSX-SECBINFHSA-N 231.748 2.692 30 20 BFED C[C@H]1CCC[C@@H](C)CN1C(=O)[C@]1(C#N)C[C@H]1C 410518809 ONYHPIJPWIXPAE-NMKXLXIOSA-N 234.343 2.573 30 20 BFED C=CCC(CC=C)C(=O)NC[C@H](C)CCOC 412487899 QJIYFOGHESACJD-GFCCVEGCSA-N 239.359 2.544 30 20 BFED CC(C)(CC#N)CN[C@H]1CCC12CCC2 414175793 ZSLSRPKJEDETLF-NSHDSACASA-N 206.333 2.849 30 20 BFED CO[C@H](CC(C)C)CN(CCC#N)CC1CC1 419216652 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2.906 30 20 BFED CCC(=O)c1ccc(C(=O)OCCCC#N)cc1 761510881 FFXSRTAFZCWUAN-UHFFFAOYSA-N 245.278 2.740 30 20 BFED Cc1ccc(C=NNc2ccccc2F)nc1 761803636 DETGUEBJVZDIEN-UHFFFAOYSA-N 229.258 2.975 30 20 BFED C=C(C)CCOC(=O)CSCC(F)(F)F 762065161 RNRUSDHDAXNLSJ-UHFFFAOYSA-N 242.262 2.791 30 20 BFED Fc1ccccc1C=NOCC(F)(F)F 764836190 QYMVEWUXEVJQEI-UHFFFAOYSA-N 221.153 2.739 30 20 BFED CON=Cc1cc2ccccc2nc1Cl 767477778 HZHIQVGRTJYLNG-UHFFFAOYSA-N 220.659 2.869 30 20 BFED C#Cc1cncc(C(=O)NC2(C)CCCCC2)c1 773857147 XBNXFUSIRMSLQV-UHFFFAOYSA-N 242.322 2.516 30 20 BFED CCOCCON=C(CC)c1ccc(F)cc1 774418401 VHOMHBHPRFOYFY-UHFFFAOYSA-N 239.290 2.993 30 20 BFED Cn1ccc(C(=O)O[C@@H](C#N)C2CCCCC2)c1 776395144 HSSZGCWJSJJIQN-ZDUSSCGKSA-N 246.310 2.654 30 20 BFED C[C@@H]1CC[C@H](C(=O)OCC2(CC#N)CC2)C1 776527432 QYJAXVLVJVUDPW-MNOVXSKESA-N 221.300 2.660 30 20 BFED C#CCCCCCC(=O)N1C[C@@H](C)[C@@H](C)C1 779925215 FSWKKPDFUPVOBW-BETUJISGSA-N 221.344 2.685 30 20 BFED N#Cc1cnc(NC[C@@H]2CCC=CO2)c(Cl)c1 780621626 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C=C(C)[C@@H]1OCC[C@H]1CNC1CC(C(F)F)C1 798086186 HUTOLCCFWIKSEO-XKGSQUFQSA-N 245.313 2.601 30 20 BFED C#C[C@H](NC(=O)C[C@@H]1CCCC[C@H]1C)C(C)C 799046775 PNCIOLRCOOYESP-RDBSUJKOSA-N 235.371 2.977 30 20 BFED C#C[C@H](N[C@@H](CCC(C)C)C1CC1)[C@@H]1CCCO1 802307664 GOXAGANQBHNTDB-JYJNAYRXSA-N 249.398 2.972 30 20 BFED CCC(CC)COC(=O)[C@](C)(C#N)CC 802834368 BFEDMVZDALMRFW-LBPRGKRZSA-N 211.305 2.906 30 20 BFED N#Cc1ccc(F)c(CN[C@@H]2CC[C@@H]2C2CC2)c1 806147886 NZTURSVVVONKKV-UKRRQHHQSA-N 244.313 2.976 30 20 BFED C=C(C)CCNc1ccc(-n2nccn2)cc1 809187883 SJBHWDZMKBAKHJ-UHFFFAOYSA-N 228.299 2.645 30 20 BFED N#C[C@@H](C(=O)C1(F)CCCCC1)c1ccccn1 810527901 NDBLQGDVDJPBMG-LLVKDONJSA-N 246.285 2.930 30 20 BFED CC#CCCOC(=O)CCc1ccc(C)s1 810664501 UOQALIYBOXJZJE-UHFFFAOYSA-N 236.336 2.946 30 20 BFED C#C[C@H](C)NC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 811994264 AESKZCUQRJRPLZ-REWJHTLYSA-N 248.370 2.666 30 20 BFED CC(=NOC1CCC1)c1cnccc1C 812235346 SVZPYIQDYVGVKS-UHFFFAOYSA-N 204.273 2.683 30 20 BFED 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2.706 30 20 BFED C#CCCN(CCc1cccc(F)c1)C1CC1 268698310 JEBMQAPWNOVMLJ-UHFFFAOYSA-N 231.314 2.856 30 20 BFED CC(C)[C@@H](C)N(C)Cc1ccc(C#N)o1 271037331 GSSRENCEZRUJJF-SNVBAGLBSA-N 206.289 2.628 30 20 BFED CCN(CC#N)[C@@H](C)CCc1cccc(F)c1 272950167 KMPVBXZEIRFJRX-LBPRGKRZSA-N 234.318 2.992 30 20 BFED CC(=O)c1ccc(C#N)c(N2CC=C(C)CC2)c1 273357279 WDGHHCZYTIQFFD-UHFFFAOYSA-N 240.306 2.917 30 20 BFED CC#CCCCC(=O)Nc1ccc(F)cc1O 274403080 QMSJJQWPBXPEST-UHFFFAOYSA-N 235.258 2.663 30 20 BFED C=CC[C@H](CC)NC(=O)c1cc(CC)ccn1 281035042 IKQQLNJBERYAMB-LBPRGKRZSA-N 232.327 2.729 30 20 BFED C=C1CCN(C(=O)c2ccoc2CC)CC1 281305414 IBSOVHKSEPCWTH-UHFFFAOYSA-N 219.284 2.634 30 20 BFED C=CCCCCCn1ccnc1C(C)=O 284997803 BWGVYRAXNMSLBR-UHFFFAOYSA-N 206.289 2.832 30 20 BFED C#CCN(Cc1ccccc1)C(=O)CC(C)C 286582203 RCPYZKBBDQQLAO-UHFFFAOYSA-N 229.323 2.695 30 20 BFED N#Cc1ccnc(N[C@@H]2C[C@H]2Cc2ccccc2)c1 287504743 ZAGAQQASOHMOMC-HUUCEWRRSA-N 249.317 2.996 30 20 BFED C#CCCCCNc1cc(C)nc(CC)n1 287950869 SCKCXDDZVIRGEN-UHFFFAOYSA-N 217.316 2.563 30 20 BFED N#Cc1cc(F)cc(OCC2CCC(=O)CC2)c1 289732545 SUDHMVYQQBWYCX-UHFFFAOYSA-N 247.269 2.835 30 20 BFED C=CCC(C)(C)C(=O)Nc1ccncc1C 292906030 VHLYMXMOZPAPRD-UHFFFAOYSA-N 218.300 2.931 30 20 BFED C=CCC[C@H](C)NCCc1scnc1C 295068093 QSZYRFVCUZFNAG-JTQLQIEISA-N 224.373 2.938 30 20 BFED C=CC1CCN(c2nc(CC)ns2)CC1 301533425 SPBMQSDZFPTSKT-UHFFFAOYSA-N 223.345 2.503 30 20 BFED C#C[C@@H](C)Nc1nc(C)nc2scc(C)c12 302446907 SDZDJHVSNZBZAD-MRVPVSSYSA-N 231.324 2.742 30 20 BFED COc1cccc(N/C(N)=N/CCCC(C)C)c1 303908214 XIOWCTIRJJCWLA-UHFFFAOYSA-N 249.358 2.858 30 20 BFED C[C@@H](O)CC(C)(C)CNCC(C)(C)CCC#N 304282980 HUJDKCIOXXTQNM-GFCCVEGCSA-N 240.391 2.703 30 20 BFED CCN(CCC#N)c1ncc(Cl)s1 308329268 HURNHCIOVIDPFM-UHFFFAOYSA-N 215.709 2.536 30 20 BFED C=CCC[C@H](C)NCC1(OC)CCCC1 308937847 OWULTHGASLIJLU-LBPRGKRZSA-N 211.349 2.890 30 20 BFED C=CCCCCC[C@H](C)N[C@H](C)C[S@@](C)=O 309422763 AGTRJQBQLQPYPK-WOSRLPQWSA-N 245.432 2.868 30 20 BFED C=CC[C@H](C)[C@@H](C)NCC1(N(C)C)CCC1 309521288 AOLYQOXINOZUAZ-QWHCGFSZSA-N 224.392 2.661 30 20 BFED CN(CCC1CC1)Cc1cccc(C#N)c1F 310148059 HBCIWFZGNZGGTL-UHFFFAOYSA-N 232.302 2.929 30 20 BFED CC1(C)CC(/C(O)=N/C2(c3nc[nH]n3)CCC2)C1 329084963 GBCBBWRTQKIWLR-UHFFFAOYSA-N 248.330 2.577 30 20 BFED N#Cc1cnccc1/C=C/c1cncc(F)c1 334448472 RAYSGVAZMNWSPQ-OWOJBTEDSA-N 225.226 2.658 30 20 BFED CN(CC#N)C(=O)[C@H]1CCC[C@@H]1c1ccccc1 334667280 JLEFMHYDNNBCST-KGLIPLIRSA-N 242.322 2.552 30 20 BFED CC(C)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 335073234 JAMBOIJPVUCWPV-NSHDSACASA-N 245.326 2.669 30 20 BFED C=C1CCN(C(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 335295028 MHAZXFRMERQNEP-JSGCOSHPSA-N 221.344 2.847 30 20 BFED C[C@]1(C(=O)NCC2(C#N)CCC2)CC=CCC1 335645072 ZQRJIJYJABUQJM-ZDUSSCGKSA-N 232.327 2.543 30 20 BFED C=CC1CCN(C(=O)Nc2nc(C)c(C)o2)CC1 335669841 MDTXLMWNXGWMJE-UHFFFAOYSA-N 249.314 2.721 30 20 BFED CC[C@](C)(C#N)C(=O)N1C[C@@H](C)CC(C)(C)C1 335810481 BQLYVYWLPGDPBN-SMDDNHRTSA-N 236.359 2.821 30 20 BFED CC#CCN(C)C(=O)c1cccc2ccsc12 336314650 OUKOHLNNSXYELK-UHFFFAOYSA-N 243.331 2.997 30 20 BFED N#C[C@@H]1CC[C@@H](NCC2Cc3ccccc3C2)C1 336562135 WVIFIAGHIAMVHS-MLGOLLRUSA-N 240.350 2.683 30 20 BFED C=CCCCCN[C@@H]1CCN(CC)C[C@H]1C 336776175 DYSXMBDOUNRRHF-ZIAGYGMSSA-N 224.392 2.663 30 20 BFED C=C[C@H]1CCCCN1c1ncc([N+](=O)[O-])s1 336999655 RWAQUGCSMHCDKH-QMMMGPOBSA-N 239.300 2.596 30 20 BFED C=C(C)CN(C)C(=O)CCCC1CCOCC1 337038945 JGSGZAIVAHBVRH-UHFFFAOYSA-N 239.359 2.618 30 20 BFED CC[C@]1(C)C[C@H]1C(=O)N(C[C@H](C)C#N)C1CC1 338294987 FZKOAGIDRFWZEV-SCDSUCTJSA-N 234.343 2.573 30 20 BFED CCOC(=O)[C@H](CC)Sc1cccc(C#N)c1 340697908 VFQRWRPYZOVCPO-LBPRGKRZSA-N 249.335 2.992 30 20 BFED CC#CCN(C)C(=O)CCCc1sccc1C 341034040 YFUVKMUVGQWBHO-UHFFFAOYSA-N 249.379 2.861 30 20 BFED C=CCN[C@H](C)c1ccc(OCC)c(OC)c1 341460694 FPHGFZGDJLZIOB-LLVKDONJSA-N 235.327 2.931 30 20 BFED CN(Cc1ccc(CC#N)cc1)[C@H]1CCSC1 343722429 XCLXCNWTNRXGHF-AWEZNQCLSA-N 246.379 2.690 30 20 BFED CC(C)Oc1cccc(CNCCCC#N)c1 344353084 IXGFGDOGKRXHCP-UHFFFAOYSA-N 232.327 2.867 30 20 BFED CCN(CCCSCC#N)CCC1CC1 355058489 MKDPTKOVDSFCQG-UHFFFAOYSA-N 226.389 2.755 30 20 BFED C=CCCC(=O)N1CCC[C@H]1c1cc(C)on1 363196081 KQWSBONPKKHVSE-LBPRGKRZSA-N 234.299 2.613 30 20 BFED C=C(C)CCNc1ncc(C)cc1[N+](=O)[O-] 386657066 CTKVCLZVFRABDO-UHFFFAOYSA-N 221.260 2.676 30 20 BFED C=C(Br)COC(=O)[C@H](C)C(C)C 388399123 LTAQYDXSLHWAMU-MRVPVSSYSA-N 235.121 2.730 30 20 BFED C[C@@H](CNc1ncccc1C#N)CC(F)(F)F 396936262 DOWNJUNVBJXDFQ-MRVPVSSYSA-N 243.232 2.954 30 20 BFED C=CCCC[C@H](C)Nc1ncc(C(=O)O)s1 398147126 DMOPPAGNQJLEDE-QMMMGPOBSA-N 240.328 2.998 30 20 BFED Cc1nc(N2C[C@H](C)[C@H](C)[C@@H]2C)ccc1C#N 399510453 KMSBKIWLTFLJBA-NHCYSSNCSA-N 229.327 2.742 30 20 BFED CC(C)(NCc1ccc(C#N)c(F)c1)C1CC1 403995420 FZXBNHAMJGTAFK-UHFFFAOYSA-N 232.302 2.976 30 20 BFED CCC[C@H](C#N)N(C)C(=O)C[C@@H]1CC[C@H]2C[C@H]12 410833865 IJZALSCCMCCSDU-RVMXOQNASA-N 234.343 2.573 30 20 BFED C[C@@H]1CCC[C@H](CC(=O)N(C)[C@H](C)C#N)C1 410887240 HUMGPMXNGATFNV-UTUOFQBUSA-N 222.332 2.573 30 20 BFED C=CCOCCN(CC)Cc1occc1C 412028782 SPAXWETWZHPNHQ-UHFFFAOYSA-N 223.316 2.613 30 20 BFED C=C(C)CN(Cc1ccccc1)C[C@H]1C[C@@H](O)C1 420960850 IBBLVQOWHZTVQP-IYBDPMFKSA-N 245.366 2.836 30 20 BFED CC[C@@H](F)CN1CCc2c(C#N)cccc21 420971403 HZFJRVQRSFSALC-LLVKDONJSA-N 218.275 2.669 30 20 BFED C[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)c1cccs1 424975736 IKKGHTLYKGDZAU-OUAUKWLOSA-N 248.351 2.660 30 20 BFED CC#CCCCC(=O)N1CC[C@@H]2CCC[C@@H]21 428149177 HXLZWLRTDDYCNX-STQMWFEESA-N 219.328 2.581 30 20 BFED CN(C)[C@H]1CCC[C@@H]1Nc1cccc(F)c1C#N 439666078 YTSUKOQMBGBNQT-KBPBESRZSA-N 247.317 2.592 30 20 BFED C=C(C)CCNC(=O)c1cc(F)ccc1F 448550486 CWSRKDUVUSBEAT-UHFFFAOYSA-N 225.238 2.661 30 20 BFED CC[C@H]1CCC[C@@H]1C(=O)N(CCC#N)CC1CC1 448917504 ZPOADMRMEARVAW-KBPBESRZSA-N 248.370 2.965 30 20 BFED C=C[C@@H]1OCCC[C@H]1NCc1sccc1C 449547523 IMLPNRIWDGGTOM-NEPJUHHUSA-N 237.368 2.880 30 20 BFED C=C(CC)CNC(=O)[C@H](C)c1ccccc1 453018018 NYUJHPBBBRYMJI-GFCCVEGCSA-N 217.312 2.873 30 20 BFED C=C(CC)CNC(=O)Nc1cc(C)cc(C)n1 454341353 CXHZMYYUIHQJJM-UHFFFAOYSA-N 233.315 2.786 30 20 BFED C=CCN(CCC#N)c1nccc(C#N)c1Cl 488512900 GLSGESSXNQFAMD-UHFFFAOYSA-N 246.701 2.513 30 20 BFED C#C[C@H](CCC)NC(=O)c1nc(C(C)C)oc1C 491566576 HJKBAMVQEVCXCU-LLVKDONJSA-N 248.326 2.638 30 20 BFED CN(CC(C)(C)C#N)C(=O)/C=C/c1ccccc1 492938857 BJSIVHNNBVRRAK-MDZDMXLPSA-N 242.322 2.708 30 20 BFED C=CC1CCN(C(=O)c2conc2C(C)C)CC1 528520817 NSMQXISLGRPXGR-UHFFFAOYSA-N 248.326 2.836 30 20 BFED CCC[C@H](C)CC(=O)Nc1cc(CC#N)ccn1 532434665 QLBICYUWUXRZMZ-NSHDSACASA-N 245.326 2.912 30 20 BFED C=CC[C@H](C)NC(=O)C1CC2(CCC2)C1 568394418 MDKMBZWOVQOEOT-JTQLQIEISA-N 207.317 2.648 30 20 BFED C=CCC1(C(=O)Nc2cccc(C#N)n2)CCC1 571211538 HLWXOYYOMALXGI-UHFFFAOYSA-N 241.294 2.638 30 20 BFED CC#CCNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 584460905 SHOONUMOHPXDAN-MGPQQGTHSA-N 233.355 2.732 30 20 BFED CCN(CCSC)Cc1ccc(CC#N)cc1 592203673 NFQKNGYAZQOOKJ-UHFFFAOYSA-N 248.395 2.938 30 20 BFED CCc1ccc([C@H](C)NC(=O)[C@H](C#N)CC)cc1 593388764 LGBLXWLNBSSSJF-AAEUAGOBSA-N 244.338 2.976 30 20 BFED CC[C@H](C#N)C(=O)N(C)[C@@H](C)C1CCCCC1 593663864 DAYWYEUGRQZALV-NWDGAFQWSA-N 236.359 2.963 30 20 BFED C[C@H](CCC#N)N1CCC[C@H](OC2CCC2)C1 594026158 DTSWWBPNNSVQOF-OCCSQVGLSA-N 236.359 2.712 30 20 BFED CC[C@@]1(C)CN([C@H](C#N)c2ccccc2)CCO1 595460887 RUEHMJYFJMCGNH-CABCVRRESA-N 244.338 2.752 30 20 BFED CCc1ccc(CN(CC)[C@@H](C)C#N)cc1 595812879 JBCBSCHJJOEEAX-LBPRGKRZSA-N 216.328 2.983 30 20 BFED CC(C)(C)[C@H]1CCCN(c2cc(C#N)cnn2)C1 596218449 CJGYJXNNLWIHPC-LBPRGKRZSA-N 244.342 2.611 30 20 BFED CSCC1(CCNc2cccc(C#N)n2)CC1 596426541 CLODHOOTLXXSEY-UHFFFAOYSA-N 247.367 2.898 30 20 BFED CCC1(CC)CCCN(c2cc(C#N)ncn2)C1 596480443 PRGRAWMKYYVDBS-UHFFFAOYSA-N 244.342 2.755 30 20 BFED CC[C@@H](C)N(CC)C(=O)NCC1(C#N)CCC1 596632507 KOIHZBWTKPIYDF-LLVKDONJSA-N 237.347 2.510 30 20 BFED COCc1csc(CN(C)[C@@H](C)CC#N)c1 596994564 DGVWFJDSHXDIAG-JTQLQIEISA-N 238.356 2.628 30 20 BFED CCN(C[C@H](C)C#N)[C@@H](C)c1cnc(C)nc1C 602447746 PADFMFNSMXPMTN-PWSUYJOCSA-N 246.358 2.636 30 20 BFED C=CC[C@@H](C)NCc1cc(C(=O)OC)cs1 602554269 ZZDOWKHMWIEOJM-SECBINFHSA-N 239.340 2.589 30 20 BFED N#Cc1cccc(CN2C[C@H]3CCCC[C@H]3C2)n1 602685655 QPFDYRBVJXWOIJ-BETUJISGSA-N 241.338 2.575 30 20 BFED CCN(CCSC)C[C@@H](C)CCC#N 602701134 AWKRJLJSMBXZRV-NSHDSACASA-N 214.378 2.611 30 20 BFED CC1(C)C[C@@H](Nc2cnccc2C#N)C(C)(C)O1 611494240 ILGUDIPICBBZJE-GFCCVEGCSA-N 245.326 2.711 30 20 BFED CC(C)(C)c1ccc(C#N)c(NCC(F)F)n1 613425969 JRKPXAPMHORDMS-UHFFFAOYSA-N 239.269 2.928 30 20 BFED N#C[C@H]1CC[C@@H](NCc2cccc3[nH]ccc23)C1 613661407 JOIODQPGWSILQK-WCQYABFASA-N 239.322 2.950 30 20 BFED C=CCOCCNC(=O)[C@@H]1CCC[C@H]1CCC 649358058 GWHRUDFVTDGSBW-CHWSQXEVSA-N 239.359 2.522 30 20 BFED C=CCC1(C(=O)N2CC(C)(C)C2)CCCC1 649832713 HNRFIYLYMYTGPC-UHFFFAOYSA-N 221.344 2.991 30 20 BFED C=CCN(CCCCCF)[C@@H](C)COC 661240117 LSSMAHIKXSJKAJ-LBPRGKRZSA-N 217.328 2.649 30 20 BFED CCC#C[C@@H](C)N1CCC(c2c[nH]nc2C)CC1 671248682 OMQPRYPMSMMWRH-GFCCVEGCSA-N 245.370 2.699 30 20 BFED COCC#CCOc1ccc2[nH]c(C)c(C)c2c1 684535367 ILULOOHJCRDSPJ-UHFFFAOYSA-N 243.306 2.813 30 20 BFED N#Cc1cnnc(Nc2ccc(C3CC3)cc2)c1 690274049 JTNJFLZFFLUNTG-UHFFFAOYSA-N 236.278 2.969 30 20 BFED C=CC(C)(C)CN[C@@H](C)C1(Cl)CC1 695703814 GBOBBFDVKJBELA-VIFPVBQESA-N 201.741 2.948 30 20 BFED C=C(Br)CN[C@H](C)CC(C)(C)C#N 695871996 MEOUSXHGXJTMKH-SECBINFHSA-N 245.164 2.813 30 20 BFED N#CCCN(CC1CC1)C(=O)C=C1CCCC1 728870563 QLXQTLAXOSGATQ-UHFFFAOYSA-N 232.327 2.639 30 20 BFED C(=NNCCCc1ccccc1)c1ccccn1 729146484 ZKFQGCYJSHKBGB-UHFFFAOYSA-N 239.322 2.638 30 20 BFED CC(=NNc1ccccc1)c1cncs1 734744527 RQFPYBPTAVCHJM-UHFFFAOYSA-N 217.297 2.979 30 20 BFED C=CCCCOC(=O)[C@@H](C)OCCC(C)C 735532567 OQECBLZJHMCASP-GFCCVEGCSA-N 228.332 2.947 30 20 BFED C#CCN(CC#CC)C(=O)N[C@H](C)CCCCC 745260363 AMOBZDNOKBOPSA-CQSZACIVSA-N 248.370 2.623 30 20 BFED Cc1ccsc1CCCC(=O)O[C@H](C)C#N 748439780 KFKGDQVFXUOTFQ-SNVBAGLBSA-N 237.324 2.835 30 20 BFED CCOc1ccc(C=NOCC(C)C)c(O)c1 749625596 FVPLFZLFTVWBDB-UHFFFAOYSA-N 237.299 2.797 30 20 BFED C=C(C)CNC(=S)N1CCC(C)(CC)CC1 751022881 TVXZTKAJGXVQEV-UHFFFAOYSA-N 240.416 2.949 30 20 BFED C=CCC[C@H](NC/C=C\c1ccccc1)C(=O)O 756385231 GAOGFICENUFCKS-YHAOYDPOSA-N 245.322 2.709 30 20 BFED C=CCCCC(=O)OCc1ccc(OCC)cn1 756413464 BCVQKVLONADZRM-UHFFFAOYSA-N 249.310 2.880 30 20 BFED Cc1c(NN=C[C@H]2C[C@@H]2C)cccc1[N+](=O)[O-] 758369018 DCRYOHKRIHADOZ-WCBMZHEXSA-N 233.271 2.957 30 20 BFED CCC[C@H](C)c1noc(C(C)(C)C#N)n1 761840877 AFUUBZZXXXTDPX-QMMMGPOBSA-N 207.277 2.774 30 20 BFED C#CCCc1noc([C@@H]2CCO[C@H](CCC)C2)n1 762017323 ALVGJHMTJOQJPH-VXGBXAGGSA-N 248.326 2.698 30 20 BFED Cc1cc(OC(=O)c2occc2C)ccc1C#N 765112740 HGCYQDPBCQSTAY-UHFFFAOYSA-N 241.246 2.987 30 20 BFED CON=Cc1csc(-c2cccc(OC)c2)n1 767490530 LZBKAMHCRGQJFX-UHFFFAOYSA-N 248.307 2.799 30 20 BFED C#C[C@@H](C)N(C)Cc1ncccc1C(F)(F)F 769962737 JPZZANBTPWYAIH-SECBINFHSA-N 242.244 2.554 30 20 BFED Cc1ccc(NN=C2CCCOCC2)cc1 770590148 PQZRMDCKDDHXHQ-UHFFFAOYSA-N 218.300 2.963 30 20 BFED C=C[C@H](CC)OC(=O)c1cc(O)nc(C2CC2)c1 770908335 GSFVSZQQKJHRHY-LLVKDONJSA-N 247.294 2.786 30 20 BFED C#C[C@H](C)NC(=O)c1cc2cccc(Cl)c2o1 772974326 DCKZAJIODRPBAU-QMMMGPOBSA-N 247.681 2.838 30 20 BFED CCCc1cccc(C=NNCCOC(C)C)c1 774400816 YKCCIQFDULZUST-UHFFFAOYSA-N 248.370 2.988 30 20 BFED C(=NN[C@@H]1C[C@H]2CC[C@H]1C2)c1ccsc1 774608026 MUXQMAQVNVSDCD-ZMLRMANQSA-N 220.341 2.860 30 20 BFED C=C(C)CCOC(=O)[C@H](C)CCCOC 778312724 JTPMFEFVEIIJPF-LLVKDONJSA-N 214.305 2.559 30 20 BFED C#Cc1cccc(NC(=S)N2CC=CCC2)c1 778530681 RGXWUGDZYWAVSZ-UHFFFAOYSA-N 242.347 2.627 30 20 BFED COC1CCC(=NN[C@H]2C[C@H]3CC[C@H]2C3)CC1 783858845 GQLMZUFCUCYCEL-YOKAQCHCSA-N 236.359 2.710 30 20 BFED CCCC(CC)=NN[C@H](CO)c1ccccc1 788457768 OAYLQZMYFDVLNL-CQSZACIVSA-N 234.343 2.876 30 20 BFED C[C@H]1CC(=NNCC2(C)CCCC2)CCO1 793084369 NCZLOBKMFMREBX-NSHDSACASA-N 224.348 2.711 30 20 BFED Cc1ccccc1C(=O)/C=C/c1c(C)cnn1C 794696345 UIVCYIRZCDZLEZ-CMDGGOBGSA-N 240.306 2.933 30 20 BFED C#CCCCOC(=O)c1ccoc1C(C)C 796396585 QGFKEZPSDOJTQS-UHFFFAOYSA-N 220.268 2.973 30 20 BFED C=CCOCCOC(=O)CC1=CCCCC1 797284563 YTWOJTBJTQBQPG-UHFFFAOYSA-N 224.300 2.623 30 20 BFED CC[C@@H]1CC[C@H](C)CC1=NNC[C@H](C)C#N 797401103 AXEHXSIOQRJTTP-QJPTWQEYSA-N 221.348 2.938 30 20 BFED Cc1ccc(C(=O)N2CCC(C)(C)C2)cc1C#N 799419405 VPUXMJVKOZJMMG-UHFFFAOYSA-N 242.322 2.739 30 20 BFED Cn1c(Cl)cnc1C=NNc1ccccc1 799463693 HTTPCBJHFNEMME-UHFFFAOYSA-N 234.690 2.520 30 20 BFED C[C@@H](C#N)OCCN(C)[C@H](C)C1CCCCC1 801955064 OBJHYFQJSGUACQ-QWHCGFSZSA-N 238.375 2.816 30 20 BFED CNc1ccc(C#N)cc1NC(=O)C(C)=C(C)C 803308250 VFDMKAVBNODWJC-UHFFFAOYSA-N 243.310 2.895 30 20 BFED Cc1ccncc1C=NNCC1CCCC1 808006918 HTRYTMUZIVRCBE-UHFFFAOYSA-N 217.316 2.504 30 20 BFED CC(C)=CCON=C(C)Cn1nc(C)cc1C 808253946 WAXJJDMBZALUMW-UHFFFAOYSA-N 235.331 2.859 30 20 BFED C#C[C@H](NC(=O)/C=C\C)c1ccc(Cl)cc1 811949111 PSPSBAZZNDFCHV-FHMRSRPSSA-N 233.698 2.707 30 20 BFED CCO[C@H]1CC(=NOCCC2CC2)[C@H]1SC 814245323 ONENEJAWDKFEEQ-NWDGAFQWSA-N 243.372 2.700 30 20 BFED CC(=NOCCC1CC1)c1ccnc(F)c1 814247205 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216.284 2.539 30 20 BFED CC[C@@H](C#N)OC(=O)CCCc1ccccc1 84697501 QSGXEIOQBWBPIZ-ZDUSSCGKSA-N 231.295 2.855 30 20 BFED C[C@H](C=O)c1ccc(F)c(Br)c1 85656920 WTQRSBNPAPSMCE-ZCFIWIBFSA-N 231.064 2.891 30 20 BFED C[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1C 91440117 NAFWFZWRMUQWHR-GHMZBOCLSA-N 232.302 2.785 30 20 BFED CN(CC1CCC1)C(=O)Nc1ccc(C#N)cc1 111424888 AUCOFWHTAHIWKM-UHFFFAOYSA-N 243.310 2.822 30 20 BFED C=CCOC(=O)C(C)(C)c1ccccc1 116368576 KCNPVTIZMYOHAV-UHFFFAOYSA-N 204.269 2.693 30 20 BFED C=CCN(CCc1ccccc1)C(=O)[C@H]1C[C@@H]1C 121361889 KNQRSJRCNAIBEF-ZFWWWQNUSA-N 243.350 2.900 30 20 BFED C=CCNC(=O)c1cccc(OC(F)(F)F)c1 121938841 XQJWGYHHQYEBQN-UHFFFAOYSA-N 245.200 2.501 30 20 BFED C=C(C)CNC(=O)Nc1ccc(F)cc1F 123218444 PPSKCMIOGFZVFG-UHFFFAOYSA-N 226.226 2.662 30 20 BFED C=CCC[C@@H](C)Nc1ccccc1CO 126901380 FHIWQPLSKFIWLF-LLVKDONJSA-N 205.301 2.946 30 20 BFED C#CCSCCNC1[C@@H](C)CCC[C@@H]1C 130000210 XRGSTQSCGHZMRU-RYUDHWBXSA-N 225.401 2.767 30 20 BFED C=C(Cl)CN(C)c1ccc(OC)cc1OC 132212987 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30 20 BFED C=CCCN[C@@H](C)Cc1ccccc1F 162564369 VCYSGIXXCUOIFV-NSHDSACASA-N 207.292 2.922 30 20 BFED C#CCSCc1nc(-c2cccs2)no1 166578714 AADXASFECKQWSX-UHFFFAOYSA-N 236.321 2.665 30 20 BFED C#CCCCNc1ccc(F)cc1[N+](=O)[O-] 172779028 HAXCTOIARLWPSB-UHFFFAOYSA-N 222.219 2.559 30 20 BFED C#CCCCNC(=O)N[C@@H](C)CCCC(C)C 174076145 ORDCTUPTIMCAHW-ZDUSSCGKSA-N 238.375 2.914 30 20 BFED C=CCCCC(=O)Oc1ccc2c(c1)OCO2 175588818 VFQCTQAPNMQGLJ-UHFFFAOYSA-N 234.251 2.677 30 20 BFED C=CCCCC(=O)NC[C@@H](C)Oc1ccccc1 175659760 REMDYNRDDKAWGS-CYBMUJFWSA-N 247.338 2.926 30 20 BFED C[C@H](N(C)C(=O)NCCCCC#N)C1(C)CC1 176493362 BLHBXLKGQVVBKA-NSHDSACASA-N 237.347 2.510 30 20 BFED CC#CCNc1ccc(OC(C)C)c(C#N)c1 182309825 YGDCOQWLDFSVRS-UHFFFAOYSA-N 228.295 2.781 30 20 BFED C#CCC(C)(C)C(=O)Nc1ncc(CC)s1 185926998 HEHYQUSRCAAJQE-UHFFFAOYSA-N 236.340 2.694 30 20 BFED C#CCN1CCC[C@@]1(C)Cc1ccccc1 186051061 IRRBFDRCRXXXBK-HNNXBMFYSA-N 213.324 2.717 30 20 BFED C=C(C)CN(C)C(=O)Cc1ccccc1CC 188573420 KAJBDWAVZBPXKC-UHFFFAOYSA-N 231.339 2.826 30 20 BFED C=C(C)Cn1ccnc1[C@@H](O)c1ccc(F)cc1 189481153 CVYCPUDGWVLRKM-ZDUSSCGKSA-N 246.285 2.680 30 20 BFED N#Cc1ccc(NCCOCC2CC2)c(F)c1 224511617 WTBBWPIHAXRGQF-UHFFFAOYSA-N 234.274 2.536 30 20 BFED C[C@@H]1C[C@H](Nc2cc(F)cc(C#N)c2)CCN1C 227625507 LMGJHTGXZIWVPM-ZWNOBZJWSA-N 247.317 2.592 30 20 BFED N#Cc1ccc(-c2nc(C3CCCC3)no2)[nH]1 228640033 QBZBDCGFIHRNOH-UHFFFAOYSA-N 228.255 2.594 30 20 BFED CC1(C)C[C@H]1CNc1cc(C#N)ccc1[N+](=O)[O-] 231775988 IJYROTWQNNFHDW-JTQLQIEISA-N 245.282 2.924 30 20 BFED C=CCC[C@H](C)N[C@H](COCC)C(C)C 233746684 UALDNUDLUHKQKB-QWHCGFSZSA-N 213.365 2.992 30 20 BFED C=CCC[C@H](O)CN(C)[C@@H]1CCCC[C@H]1C 246081304 ZXCWNLSWGRJCMX-HZSPNIEDSA-N 225.376 2.824 30 20 BFED Oc1cccc(/C=N/[C@H]2CC=CCC2)c1O 265643057 WDZSWHXOYWUZLC-LUHPIMIVSA-N 217.268 2.625 30 20 BFED COCC[C@H](C)O/N=C1/CCOc2ccccc21 267966690 AHNXQDVALCMWKC-YLCNQMKUSA-N 249.310 2.615 30 20 BFED C=CCOc1ccccc1CN[C@H](C)[C@H](C)OC 268889442 JCZVVVHAPIHXIA-OLZOCXBDSA-N 249.354 2.764 30 20 BFED 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30 20 BFED C=CCOCCN(Cc1ccc(F)cc1)C1CC1 338881313 SRXQDNOCEGVAPY-UHFFFAOYSA-N 249.329 2.993 30 20 BFED C=CCC[C@@H](NC[C@@H](OC)C1CC1)C1CC1 340496082 LPZHWGBWLNCNHQ-ZIAGYGMSSA-N 223.360 2.746 30 20 BFED C=CC[C@@H](CO)CNCc1ccc(CC)cc1 341255205 HFHFDDXMGYAGJP-OAHLLOKOSA-N 233.355 2.523 30 20 BFED C=C(CNCc1ccc(C#N)o1)c1ccccc1 343791867 UJYPDAXWJUIIHQ-UHFFFAOYSA-N 238.290 2.954 30 20 BFED CC(C)(C#N)CC(=O)Nc1ccccc1CC#N 344363856 RYGCXQXBAAGJTR-UHFFFAOYSA-N 241.294 2.631 30 20 BFED Cc1ccc(CCN2CCC(F)(C#N)CC2)cc1 352485140 YEDPROCWKLGVIE-UHFFFAOYSA-N 246.329 2.865 30 20 BFED CCCSCC(=O)N[C@@](C)(C#N)C(C)(C)C 354316101 KUNWKJVDICRRRJ-LBPRGKRZSA-N 242.388 2.574 30 20 BFED C=C[C@@H](C)NC(=O)[C@H](CCC)c1ccccn1 354829488 RZJCVTNZDFEWBT-VXGBXAGGSA-N 232.327 2.656 30 20 BFED C=CCN(CCC[C@@H](C)O)Cc1ccccc1 354873726 SZYQZLALZKFUAE-CQSZACIVSA-N 233.355 2.836 30 20 BFED C=CCN(C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1 357490484 HVNIWDQUBQSTKS-AVGNSLFASA-N 233.355 2.990 30 20 BFED C=C(CC)CSc1nc2nc(C)cc(C)n2n1 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HKDLLJDKKGVERD-ZDUSSCGKSA-N 238.400 2.898 30 20 BFED C=C(C)C(C)(C)C(=O)Nc1cc(CC)nc(C)n1 425524219 QNQKKKHBBURJNL-UHFFFAOYSA-N 247.342 2.888 30 20 BFED C=C(C)C(C)(C)C(=O)Nc1cccc2c1OCO2 425557182 BGGVNELVXKJIJR-UHFFFAOYSA-N 247.294 2.956 30 20 BFED CCC[C@H](C#N)N(C)C(=O)[C@@H]1CCCC[C@H]1C 425585335 QHJUQANXUKGSSS-JHJVBQTASA-N 236.359 2.963 30 20 BFED C[C@@H]1CCCC[C@H]1N1CCC(NCCC#N)CC1 425973455 IYLAOUIIYLPFCK-UKRRQHHQSA-N 249.402 2.533 30 20 BFED C=CCCC[C@@H](C)N(C)[C@@H]1CCCC[C@H]1O 426261767 BFXANRAHLGDYQY-MGPQQGTHSA-N 225.376 2.967 30 20 BFED C=CCC(C)(C)C(=O)N(CC)C[C@@H]1CCCO1 429901224 UNVSCXOVMQBJSZ-LBPRGKRZSA-N 239.359 2.616 30 20 BFED CC[C@H](F)COc1ccc(C#N)c(OC)c1 440580619 CAABLDBQIHXQOI-JTQLQIEISA-N 223.247 2.694 30 20 BFED C=CCC(CC=C)C(=O)N[C@@H](CC)c1ncc[nH]1 442795808 COUPOWGAQQXFOK-LBPRGKRZSA-N 247.342 2.745 30 20 BFED C=CCCCCNC(=O)C(C)(C)OC(C)C 448548806 XPXPILBGSXFNBP-UHFFFAOYSA-N 227.348 2.663 30 20 BFED C=CCCOCCNC(=O)[C@H]1CCC[C@@H]1CC 450250347 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RIKJLRVICCELDL-CHWSQXEVSA-N 239.359 2.616 30 20 BFED N#Cc1ccc(CCN2C[C@@H]3CCCC[C@@H]32)cc1 595567154 MXWQIVCVSPYLIA-HOTGVXAUSA-N 240.350 2.975 30 20 BFED CCCc1ccc(C(=O)N(CC#N)C2CC2)s1 601016028 RVAMSGJFNDAZBB-UHFFFAOYSA-N 248.351 2.829 30 20 BFED C[C@@H](CCC#N)CN(C)Cc1ccoc1 602449762 RVZQGQDUBZXFIR-NSHDSACASA-N 206.289 2.651 30 20 BFED CSCC[C@@H](C)N(C)Cc1cccc(C#N)n1 602475338 UJQCWQOWFMCJHQ-LLVKDONJSA-N 249.383 2.527 30 20 BFED CC(C)C(NCc1cccc(C#N)n1)C(C)C 602578592 YWMFHHZSLIPYRG-UHFFFAOYSA-N 231.343 2.723 30 20 BFED C[C@H](CCC#N)CNC1(C2CCC2)CC1 602700781 WOFGXXSQFPXCQN-LLVKDONJSA-N 206.333 2.849 30 20 BFED Cc1ccc(C)c(OCCN[C@H](C)CC#N)c1 602863616 OWRUBEKBDXQDJL-CYBMUJFWSA-N 232.327 2.574 30 20 BFED CC(C)CN(C)C(=O)Nc1cc(F)cc(C#N)c1 603080573 IXUUCUNBGWZYEX-UHFFFAOYSA-N 249.289 2.817 30 20 BFED C=C[C@@H](C)NC(=O)c1cccc(N2CCCC2)c1 612264838 SJAONRJUWYEPGN-GFCCVEGCSA-N 244.338 2.591 30 20 BFED C=CCCNC(=O)[C@H](OC(C)C)c1ccccc1 617618479 QQGZMKDPDIPXIQ-CQSZACIVSA-N 247.338 2.845 30 20 BFED CCC1(C)CCN(C(=O)NCC2(C#N)CC2)CC1 619534534 FFWPLDRXFQTIBW-UHFFFAOYSA-N 249.358 2.512 30 20 BFED C=CCN(C(=O)CCCC#CC)C(C)(C)C 622944771 DZLITOOKBQZQIR-UHFFFAOYSA-N 221.344 2.993 30 20 BFED C=CC[C@@H]1CCCC[C@H]1NCC1=CCN(C)CC1 657939225 WAWFMMAROZGQSG-HZPDHXFCSA-N 248.414 2.973 30 20 BFED C=CC[C@@H]1CCCN(c2nccc(SC)n2)C1 664257285 YFFZBJQDFHMZOC-LLVKDONJSA-N 249.383 2.991 30 20 BFED C=C[C@@](C)(O)C(=O)Nc1ccc(C)cc1Cl 665110921 JNMAQVTVAMWNCJ-GFCCVEGCSA-N 239.702 2.524 30 20 BFED C=C[C@@H](O)C(=O)N[C@@H](CCC(C)C)C(C)(C)C 668813825 TXJBVOIAGZTQEQ-NEPJUHHUSA-N 241.375 2.500 30 20 BFED C#CCCCCNCc1cccc2c1OCC2 693091689 NWDRDVXPIFMNKL-UHFFFAOYSA-N 229.323 2.515 30 20 BFED C=CCCCNc1ccc(Br)nn1 701764001 YLJBBFSCZGIRNL-UHFFFAOYSA-N 242.120 2.617 30 20 BFED Cc1nc(N2C[C@H]3CCCC[C@H]32)ccc1C#N 706920647 NSMHLLLJBMWUER-CHWSQXEVSA-N 227.311 2.641 30 20 BFED CC(C)CN(CCC#N)C(=O)C[C@@H]1CC[C@H]2C[C@@H]12 716839562 SQCVUWLPMRUIGS-MELADBBJSA-N 248.370 2.821 30 20 BFED C#C[C@H](CC)Nc1cc(C)c([N+](=O)[O-])cc1C#N 721063385 MVRCTMZCYCEWDR-LLVKDONJSA-N 243.266 2.599 30 20 BFED CCC/C=C/C(=O)Nc1ccc(F)c(C#N)c1 729374650 UIYMUMNSKNFPIQ-SNAWJCMRSA-N 232.258 2.992 30 20 BFED C=CCNC(=S)N1CCC[C@@H](C(C)C)CC1 734099164 MZRQDSYABOXRMP-GFCCVEGCSA-N 240.416 2.805 30 20 BFED C=C(C)CNC(=S)N1CCC[C@@H](C)[C@@H]1C 741494318 UYLMCJMPRWBUKM-MNOVXSKESA-N 226.389 2.557 30 20 BFED C#CCCCNC(=O)C[C@@H]1CCc2ccccc21 742788941 FRXWKNWLGKBZGI-AWEZNQCLSA-N 241.334 2.636 30 20 BFED C=CCNC(=S)N1CCC[C@H](C)[C@H]1CCC 743012673 CCGFVJOFQXTPBN-NWDGAFQWSA-N 240.416 2.948 30 20 BFED C=CCCCC(=O)Nc1n[nH]c(C2CC2)c1C 748299993 LFBNZONHYAXPKG-UHFFFAOYSA-N 233.315 2.890 30 20 BFED C#CCCCN[C@@H]1CCc2c(F)ccc(F)c21 752787839 CFENLDFVWQGORJ-CYBMUJFWSA-N 235.277 2.955 30 20 BFED C=CC[C@H](CO)CN[C@H](C)c1cc(C)ccc1O 756788940 ZHMJCJBXLQLVMZ-OLZOCXBDSA-N 249.354 2.536 30 20 BFED C=C(C)COC(=O)c1ccccc1C(C)=O 757497302 YONPBPUXHZIFRZ-UHFFFAOYSA-N 218.252 2.622 30 20 BFED C#CCCN(C)[C@H]1C[C@H](OCCCC)C1(C)C 760860186 LSQHENHLMDCLKW-KBPBESRZSA-N 237.387 2.925 30 20 BFED C=CCOC(=O)c1cccc(C(C)C)n1 762044818 IMYBVAHDIJZRKV-UHFFFAOYSA-N 205.257 2.548 30 20 BFED Cc1cc(OC/C=C/Cl)ccc1C#N 766069992 YXRKQCZILPTDPE-GORDUTHDSA-N 207.660 2.998 30 20 BFED Cc1cc(CN(C)[C@H](C)CC#N)cnc1Cl 769335251 URQOOUNMKWBCHH-SNVBAGLBSA-N 237.734 2.777 30 20 BFED C=CCN(C(=O)[C@@H](F)c1ccccc1)C1CC1 769452865 AVJGUQPPXQUIIA-ZDUSSCGKSA-N 233.286 2.874 30 20 BFED CC(=NNCC(C)C)c1sc(C)nc1C 771566871 KYMLRWPKYXPJMT-UHFFFAOYSA-N 225.361 2.730 30 20 BFED COc1ccccc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 774608603 RGJAGPMJJACRNY-OBJOEFQTSA-N 244.338 2.807 30 20 BFED C#CCOc1ccccc1NC(=O)/C=C/CCC 775952748 OFVDNHITSKZVFS-IZZDOVSWSA-N 243.306 2.993 30 20 BFED CCc1cccnc1C(=O)OCCC(C)(C)C#N 776398949 FPPOLDXLUJXQCG-UHFFFAOYSA-N 246.310 2.741 30 20 BFED CC(C[C@@H](C)CC(C)C)=NN1CCN(C)CC1 779751857 GKHFAWOJUINURM-ZDUSSCGKSA-N 239.407 2.682 30 20 BFED CCc1cccnc1C(C)=NOCC(F)(F)F 779786439 ZAQMIYISVGLSRF-UHFFFAOYSA-N 246.232 2.947 30 20 BFED C[C@@H]1C[C@@H]1c1ccc(C=NN[C@H]2CCCOC2)o1 780252179 RRRIMPCBQVOFDG-MDZLAQPJSA-N 248.326 2.506 30 20 BFED CC(=NNCC1(C)CCCC1)[C@H]1CCOC1 793084290 JUOFWCRGCOBDSP-LBPRGKRZSA-N 224.348 2.569 30 20 BFED CC(=NNc1ncncc1F)c1cccc(F)c1 793217145 BCZVDECWECHIKT-UHFFFAOYSA-N 248.236 2.591 30 20 BFED COC(=O)C[C@H]1CCC(=NOCC(C)C)[C@@H]1C 794524632 ZSVPCANFSFJHJC-GHMZBOCLSA-N 241.331 2.624 30 20 BFED C=CCC(C)(C)C(=O)O[C@H](C)c1nnc(C)o1 796461543 LFPNARLANVMFJX-MRVPVSSYSA-N 238.287 2.585 30 20 BFED C[C@@H]1CCC[C@H]1C/N=C\c1cccc(O)c1O 798343957 VKAZJLJUSDWFKF-XXKFPOPISA-N 233.311 2.953 30 20 BFED C#C[C@H](Nc1ncnc2cccc(F)c12)C(C)C 798409083 PQPGOUWCQNZHRM-NSHDSACASA-N 243.285 2.839 30 20 BFED C[C@H](C#N)OCCN(C)[C@H]1CCc2ccccc21 801912563 WFCAATUYNMPKIP-DOMZBBRYSA-N 244.338 2.534 30 20 BFED CCc1cccc(C)c1NCCO[C@H](C)C#N 802738831 FNEWOCNUKOIDCJ-GFCCVEGCSA-N 232.327 2.898 30 20 BFED C=CCOC(=O)c1ccc(C(C)C)cn1 810538903 JZNAPFWNOVMRHC-UHFFFAOYSA-N 205.257 2.548 30 20 BFED C=C(CC)COC(=O)c1ccn(C)c1CC 811272949 CWHKRXFQNPRFSS-UHFFFAOYSA-N 221.300 2.711 30 20 BFED C#CCON=Cc1ccc(C2CCC2)cc1 814936488 VJTJWHMJMZSFSI-UHFFFAOYSA-N 213.280 2.938 30 20 BFED Cc1nnc(C)n1N=Cc1cccc(C2CC2)c1 817322692 IESKPRJSIZVPNO-UHFFFAOYSA-N 240.310 2.655 30 20 BFED C#CCC1(C(=O)NOCCC2CC2)CCCCC1 817429816 IMOXLXFDSMCIID-UHFFFAOYSA-N 249.354 2.808 30 20 BFED COc1cc(C)c(OCCO[C@H](C)C#N)c(C)c1 818090824 GENBZAYHAVUQPB-GFCCVEGCSA-N 249.310 2.620 30 20 BFED C#C[C@@H](CCC)NC(=O)N(CCC)CC(C)C 820636945 YOAYYRUOGRQTIW-ZDUSSCGKSA-N 238.375 2.866 30 20 BFED C=CCCC[C@@H](C)NC(=O)c1cc(Cl)no1 821734298 MHEKZIDUCPSSHL-MRVPVSSYSA-N 242.706 2.803 30 20 BFED C#C[C@@H](NC(=O)[C@H](CC)CCC)C(C)C 822666881 NPJMTCJGROCJIX-VXGBXAGGSA-N 209.333 2.587 30 20 BFED C=CCCCC[C@@H](C)NCc1nonc1C 824389673 PXLIYMTWRWMPGO-SNVBAGLBSA-N 223.320 2.603 30 20 BFED C#Cc1cccc(CN[C@@H]2CCC[C@H]3C[C@H]32)c1 825226292 FPOASSLIIFAGGY-ARFHVFGLSA-N 225.335 2.946 30 20 BFED C#CC1CCN(c2nc(CC)cs2)CC1 826710660 OCDGDCGNPBHITL-UHFFFAOYSA-N 220.341 2.555 30 20 BFED CCCCCCCCCN(C)C(C)(C)C(N)=O 830307477 QVJMPVMGBXBPFE-UHFFFAOYSA-N 242.407 2.933 30 20 BFED Cc1cccc(C=NOC[C@H]2CCOC2)c1F 834974164 YYPSBNBFMLLNMK-NSHDSACASA-N 237.274 2.521 30 20 BFED CC(=NOC/C=C/Cl)[C@H]1C[C@H]2CC[C@H]1O2 834979317 MWVFZBQTFLWPKO-DXCGTIOASA-N 229.707 2.699 30 20 BFED CC#CCOC(=O)[C@H]1CCC[C@@H]1CCC 835267858 DLHCLADYMBCYES-RYUDHWBXSA-N 208.301 2.769 30 20 BFED C=CC(C)(C)COC(=O)c1nc(C)oc1C 835721489 LHQSHLIQYSQHMM-UHFFFAOYSA-N 223.272 2.660 30 20 BFED C=CCONC(=O)C=C1CCC(C)(C)CC1 837047574 JRSVBGORZAEBBO-UHFFFAOYSA-N 223.316 2.747 30 20 BFED C=CCONC(=O)C[C@@H](C)CCCCC 837047902 KICXBWCURVVDHY-NSHDSACASA-N 213.321 2.827 30 20 BFED CC(C)[C@@H](C)N(C)C(=O)C#CC(C)(C)C 837332054 ZNLMZZOWHDWAQM-LLVKDONJSA-N 209.333 2.539 30 20 BFED CC(C)(CC#N)CNC(=O)[C@H](F)c1ccccc1 837890060 AZDTZGPSEHCBPS-GFCCVEGCSA-N 248.301 2.753 30 20 BFED Cc1ccc(C(=O)O[C@@H](C)C#N)c2c1CCC2 838101180 NTWPKOIZEFNASS-JTQLQIEISA-N 229.279 2.553 30 20 BFED C#CCC[C@@H](C)OC(=O)[C@H](F)Cc1ccccc1 839040918 DQMFPBAFMRMOPM-TZMCWYRMSA-N 248.297 2.912 30 20 BFED C=C[C@H](C)ONC(=O)N(C)CC1CCCCC1 845635251 ZRBHFMLXCQJZII-NSHDSACASA-N 240.347 2.714 30 20 BFED C=C(C)CONC(=O)[C@H]1CCC(C)=C(C)C1 846534254 NJYVPFKLJFJVRX-LBPRGKRZSA-N 223.316 2.747 30 20 BFED C#Cc1ccccc1CC(=O)N(CCC)C(C)C 847173914 WRDYMPVNOUVYAV-UHFFFAOYSA-N 243.350 2.857 30 20 BFED C=C(CC)COC(=O)CCCc1cccnc1 849860866 KCFOETOLZVXSHV-UHFFFAOYSA-N 233.311 2.914 30 20 BFED C=C(C)CN(CC)CC(F)(F)Br 851720651 PQAYULBDJFCUCC-UHFFFAOYSA-N 242.107 2.872 30 20 BFED C#C[C@H](CC)NC(=O)NCc1cc(C)cc(C)c1 852276607 BFGZNIOVMNGNOB-CQSZACIVSA-N 244.338 2.514 30 20 BFED C=CCCCCCCNC[C@@H](O)c1ccccn1 853106389 YMURWAMXTUVSSC-OAHLLOKOSA-N 248.370 2.841 30 20 BFED CSCCCC=NN1CCCC[C@@H]1C 853381417 CFQQKWFXADPALG-NSHDSACASA-N 214.378 2.990 30 20 BFED C=C(Cl)COc1cccc2c1OCCCO2 853736830 PWUNPPRTCAHPDF-UHFFFAOYSA-N 240.686 2.979 30 20 BFED C#C[C@@H](CC)NC(=O)N1CCCC[C@H]1C(C)C 854072277 BKTNWVGEPSOGIX-STQMWFEESA-N 236.359 2.618 30 20 BFED C=CCC(F)(F)C(=O)NC1(CC(C)C)CC1 856190676 BIMDMBNPGHKFEC-UHFFFAOYSA-N 231.286 2.893 30 20 BFED CC(C)c1ccccc1C(=O)N(C)[C@@H](C)C#N 857621731 IPMQZQNNLHSGRV-NSHDSACASA-N 230.311 2.794 30 20 BFED C#CCCOC(=O)NC(C)(C)c1ccccc1C 859173207 XNMIKGVMDHMEDV-UHFFFAOYSA-N 245.322 2.980 30 20 BFED CC(C)OCCNN=Cc1ccc2cc[nH]c2c1 863104773 DPCWSBGXMSPNJA-UHFFFAOYSA-N 245.326 2.516 30 20 BFED C#CCCCCCCN1CC[C@H]2CC[C@@H](C1)N2C 876764068 NNXUMPXEGZEMQR-CVEARBPZSA-N 248.414 2.739 30 20 BFED C[C@@H](CCC#N)CNCc1ccc(Cl)nc1 876947271 BIASXNJLKILKNV-JTQLQIEISA-N 237.734 2.764 30 20 BFED C=CC(C)(C)CC(=O)NCC(C)(C)OCC 879660495 RRIZVBIDVRACFL-UHFFFAOYSA-N 227.348 2.520 30 20 BFED Cc1coc(C(=O)NCC(C)(C)CCC#N)c1 880006323 ZWFWXAYESJJIEC-UHFFFAOYSA-N 234.299 2.648 30 20 BFED N#CCCCCCC(=O)NC[C@@H]1C=CCC1 881497546 BCLARCIARGLMLU-GFCCVEGCSA-N 220.316 2.543 30 20 BFED C=C/C=C/CCNC(=O)C[C@H](OCC)C(=C)C 881568787 WRDXXZWQYCZGFR-GWJCSSMESA-N 237.343 2.606 30 20 BFED Cc1ccc(NC[C@@H]2C=CCC2)c(C#N)n1 882755779 AEZWTFWXTHZPKR-LLVKDONJSA-N 213.284 2.640 30 20 BFED C=CC(C)(C)CC(=O)OCCC1CCOCC1 884649034 QKVIBURETREMGG-UHFFFAOYSA-N 240.343 2.949 30 20 BFED CCN(CC#N)C(=O)CCCCc1ccccc1 888555696 CBZNENKBYNTSJW-UHFFFAOYSA-N 244.338 2.771 30 20 BFED C=CC[C@@H]1CCCN(C(=O)Nc2conc2C)C1 888720495 ICZZFVSGMIIKFW-LLVKDONJSA-N 249.314 2.803 30 20 BFED C=C1CCC(C(=O)N[C@H](COC)C(C)C)CC1 889198329 MWLQBGYQPMKENK-CYBMUJFWSA-N 239.359 2.520 30 20 BFED C[C@@H]1CN(c2ccc(C#N)cc2CO)CC[C@H]1C 893059573 FYDAPPMBMPTAOH-VXGBXAGGSA-N 244.338 2.533 30 20 BFED C=CC1(OC(=O)[C@H](F)Cc2ccccc2)CC1 893364429 SOZZZVPQFNQAHE-GFCCVEGCSA-N 234.270 2.829 30 20 BFED C#CCSCc1nc([C@H](C)CCC)no1 896056995 LUXAYLUEZIULJS-SECBINFHSA-N 224.329 2.840 30 20 BFED C=C1CC(c2noc(-c3cscn3)n2)C1 896883265 AQKUQQMLJYHAMD-UHFFFAOYSA-N 219.269 2.627 30 20 BFED C=C1CN(C(=O)c2csc3c2CC[C@H](C)C3)C1 898689612 VXQHKCKBQXCDQX-VIFPVBQESA-N 247.363 2.885 30 20 BFED C=CCNC(=S)NC1(C2CCCCC2)CC1 899725140 NGQYSPZZIAYIJF-UHFFFAOYSA-N 238.400 2.749 30 20 BFED CCc1onc(C)c1C=NN[C@H]1C[C@H]2CC[C@H]1C2 901207931 NZKMIABNUDCDTD-GVXVVHGQSA-N 247.342 2.658 30 20 BFED C=CCC[C@H](N[C@@H]1CCO[C@H]1C1CC1)C1CC1 903265834 OOEMLAVQBONULP-ZNMIVQPWSA-N 235.371 2.888 30 20 BFED C=C[C@@](C)(CC)C(=O)N=[S@@](C)(=O)C(C)C 906196414 VJJAWAHODHEUAH-NHYWBVRUSA-N 231.361 2.622 30 20 BFED C=CCCN(C)C(=O)/C(F)=C(/C)C1CC1 907634840 DXWQJRURLFZACD-PKNBQFBNSA-N 211.280 2.674 30 20 BFED Cc1cc(C)cc(COC(=O)C(C)(C)C#N)c1 919350766 VCPPMCFKZBBIGV-UHFFFAOYSA-N 231.295 2.896 30 20 BFED C=CC[C@H](CO)CN[C@@H](C1CC1)C(C)(C)C 925698229 QHMMKJLTENMZLM-AAEUAGOBSA-N 225.376 2.585 30 20 BFED C[C@]1(C(=O)N2CCC[C@@H](C#N)C2)C[C@H]2CC[C@H]1C2 928230832 CQWWZRQPFNDTCV-ABHRYQDASA-N 246.354 2.575 30 20 BFED CC[C@H]1CCCN1C(=O)c1cc(C#N)ccc1C 931766782 GNMWVDVDJGZCJE-ZDUSSCGKSA-N 242.322 2.881 30 20 BFED N#Cc1ccsc1NC(=O)NCC1=CCCC1 931833323 BNLHQGRAWYZTKT-UHFFFAOYSA-N 247.323 2.852 30 20 BFED C=C[C@@H](CC)CC(=O)NCC1(CCOC)CC1 934947729 QSWJHKSDWMFDOW-LBPRGKRZSA-N 239.359 2.522 30 20 BFED C=CCC[C@H]1CCCN1C(=O)c1ccnc(C)c1 1120814105 WBBDUPXGIZZJBW-AWEZNQCLSA-N 244.338 2.961 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)c1ccccc1F 1121160160 DJCFCKBTXMALQH-JTQLQIEISA-N 234.274 2.590 30 20 BFED CCC(CC)N(CC)c1ccnc(C#N)c1 1150160153 CDZVDMKDMJKESZ-UHFFFAOYSA-N 217.316 2.968 30 20 BFED C=CCNC(=O)N(CC)Cc1ccccc1F 1202567900 PBOJKGZYDLYXQU-UHFFFAOYSA-N 236.290 2.543 30 20 BFED C#Cc1ccc(C(=O)N2CCCC(C)(C)C2)cc1 1262172067 OCNYUUJTSJZVRL-UHFFFAOYSA-N 241.334 2.930 30 20 BFED C=C[C@H](COC)N[C@@H]1CCc2ccc(C)cc21 1321242215 VMQSOELZBZYCRH-UKRRQHHQSA-N 231.339 2.773 30 20 BFED C#CCC(C)(C)C(=O)NC[C@H]1CCC[C@H]1CC 1325248440 SLAVDCQQMOPFMW-CHWSQXEVSA-N 235.371 2.978 30 20 BFED C=C[C@H](COC)NC(=O)C=C(CCC)CCC 1325620257 UEWJXKRYPUDCEW-CYBMUJFWSA-N 239.359 2.830 30 20 BFED Cc1cc(C)n(CCSCC2(CC#N)CC2)n1 1327714890 SDRORELLKCLHTM-UHFFFAOYSA-N 249.383 2.927 30 20 BFED CC(C)(C)C#Cc1nnc(C(C)(C)C)o1 1327852701 LJZYHFSHXYUTCQ-UHFFFAOYSA-N 206.289 2.765 30 20 BFED C=CCC(F)(F)c1nnc(-c2cccn2C)o1 1330094037 RSFHYNLGJIKQET-UHFFFAOYSA-N 239.225 2.743 30 20 BFED C#Cc1ccc(NC(C2CC2)C2CC2)nc1 1336466488 SEHMYXDRYQTCAY-UHFFFAOYSA-N 212.296 2.663 30 20 BFED C=CCC[C@H]1CCCN1C(=O)CC[C@H](C)OC 1336758626 HASQXEROJLHERE-STQMWFEESA-N 239.359 2.759 30 20 BFED C=CCC[C@@H]1CCCN1c1ncccc1[N+](=O)[O-] 1338028936 NAAIFUPNWWYMGO-LLVKDONJSA-N 247.298 2.925 30 20 BFED CC(C)c1ccc(C=NNc2ccn(C)n2)cc1 1338903414 OIBGKXXSKHSKMO-UHFFFAOYSA-N 242.326 2.990 30 20 BFED Cc1ccoc1CC(=O)OC1(CC#N)CCC1 1345823522 FHXBFAFJYQXBJI-UHFFFAOYSA-N 233.267 2.510 30 20 BFED C=C(CC(C)C)C(=O)Nc1cncc(C)c1 1346984689 FWHCQQNUVFBWAI-UHFFFAOYSA-N 218.300 2.931 30 20 BFED CCn1ccnc1[C@H](C#N)C(=O)CC(C)(C)C 1349701419 FKQLQGGACGAIGB-SNVBAGLBSA-N 233.315 2.515 30 20 BFED C=CC[C@@H](N[C@@H]1CCc2c(C)cccc21)C(=O)O 1588744652 AVOXAMVOPZEINA-ZIAGYGMSSA-N 245.322 2.601 30 20 BFED CSCCON=C(C)CC(C)(C)CC(=O)O 1607400380 ZCXHXJYEHQOXFO-UHFFFAOYSA-N 247.360 2.633 30 20 BFED Cc1ccc(OCc2ccc(C#N)s2)nc1 1640936551 ZRBBZTRGZZINMA-UHFFFAOYSA-N 230.292 2.902 30 20 BFED C=C(C)CCCN1CC2(CC2)C[C@H]1CC(=O)O 1776138761 OLENGVUPKTZYQJ-GFCCVEGCSA-N 237.343 2.672 30 20 BFED C=CC[C@]1(C(=O)O)CCCN(CC2=CCCC2)C1 1776153616 NTPUSLWFTBQAAC-HNNXBMFYSA-N 249.354 2.840 30 20 BFED Cc1nc(-c2cc(F)ccc2F)nc(C#N)c1C 1898208368 QPYLLYDTTJBLSO-UHFFFAOYSA-N 245.232 2.910 30 20 BFED C=C(Cl)COc1cccc(C(=O)O)c1 19427873 MUAYOKDAHGXFNV-UHFFFAOYSA-N 212.632 2.516 30 20 BFED Cc1cc(C)c(C#N)c(N2CCC[C@@H](C)C2)n1 40418538 FZQRKLXDBWFAEA-SNVBAGLBSA-N 229.327 2.806 30 20 BFED CC(C)c1ccc(CNC(=O)C(C)(C)C#N)cc1 44351726 UMDOWUAGQLDLKB-UHFFFAOYSA-N 244.338 2.976 30 20 BFED C=CCCC(=O)Nc1ccc(C(=O)O)cc1C 54399552 OHGBSYVGQWOGNL-UHFFFAOYSA-N 233.267 2.598 30 20 BFED CC(C)[C@H](C#N)NC(=O)c1ccccc1Cl 57528096 MMSQWVHGDZMPLB-NSHDSACASA-N 236.702 2.618 30 20 BFED CC(=O)c1c(F)cccc1N1CCC(C#N)CC1 57856120 UHLJUFXJGMMWNP-UHFFFAOYSA-N 246.285 2.768 30 20 BFED COc1ccc(NC(=O)CC(C)C)cc1C#N 58824006 WWNCPXOEWJAZDS-UHFFFAOYSA-N 232.283 2.551 30 20 BFED C#CCCNc1ccc(Br)cc1 70159472 BGJXVSLYQZNFJC-UHFFFAOYSA-N 224.101 2.884 30 20 BFED CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(C#N)cc1 73327522 OCCKIBBBWVVPEG-FZMZJTMJSA-N 242.322 2.819 30 20 BFED CC(C)(C#N)C(=O)OCc1ccccc1Cl 77896426 WVJHZECADNQHJG-UHFFFAOYSA-N 237.686 2.933 30 20 BFED COc1ccc([C@@H](C)NCCCC#N)cc1 85300125 HITPXLNDUINPSZ-LLVKDONJSA-N 218.300 2.650 30 20 BFED CC[C@H](C)C[C@]1(CC)O[C@]1(C)C(=O)OC 85657994 DFZNKISIFZZVNX-WCQGTBRESA-N 214.305 2.533 30 20 BFED C[C@H](Nc1ccn(CCC#N)n1)c1ccccc1 86154505 UXDLIZMSBKTBGJ-LBPRGKRZSA-N 240.310 2.970 30 20 BFED CCC1CCC(C/N=C(\N)N(CC)CC)CC1 104177118 IDHBFULOYHJTMZ-UHFFFAOYSA-N 239.407 2.859 30 20 BFED C#CCOC(=O)c1ccc(C(C)(C)C)s1 122229989 VKYDBQKKTPDLES-UHFFFAOYSA-N 222.309 2.836 30 20 BFED C=C(C)CN1CCC(NC[C@H]2CC=CCC2)CC1 122360786 PFLOWPHEPCYSHX-HNNXBMFYSA-N 248.414 2.973 30 20 BFED C=C[C@H](C)N[C@H](C)CCc1ccc(O)cc1 125727957 KFSYAOITVGILRN-NWDGAFQWSA-N 219.328 2.877 30 20 BFED CCCCCCCN(C)CC[C@@H](C)O 128544787 LAQGCZFOTFERLW-GFCCVEGCSA-N 201.354 2.660 30 20 BFED C=CCCN[C@@H]1CCCC[C@H]1n1cccn1 128669417 ZFRIVVBXQRJWHN-CHWSQXEVSA-N 219.332 2.533 30 20 BFED C#CCCCCNc1ccccc1[N+](=O)[O-] 130554403 XILQKPCGEGNWDM-UHFFFAOYSA-N 218.256 2.810 30 20 BFED CCSCCOc1ccc(C#N)cc1C 155084363 CYPFLRJBGTWRJP-UHFFFAOYSA-N 221.325 2.999 30 20 BFED CC#CCCNCc1nc2ccccc2n1CC 158351697 GSQPZNIQZCBWRF-UHFFFAOYSA-N 241.338 2.559 30 20 BFED C=C(C)CNC(=O)[C@@H](C)Cc1ccccc1F 161274414 IDHWTRSPGJZHTG-NSHDSACASA-N 235.302 2.697 30 20 BFED CCC(O)(CC)COc1cccc(F)c1C#N 165229139 GZRXZSHSKQTGGT-UHFFFAOYSA-N 237.274 2.627 30 20 BFED N#CCCCCS(=O)(=O)CC1CCCCC1 170937489 QXLQEGSGJBNHJI-UHFFFAOYSA-N 243.372 2.675 30 20 BFED CC[C@](C)(NCCCC#N)c1nc(C)cs1 173935525 MVSZTHXQCLANRX-LBPRGKRZSA-N 237.372 2.970 30 20 BFED C#CCN1CC[C@H](CSc2ccccc2)C1 174145946 MZXXVGUNMPUHSE-ZDUSSCGKSA-N 231.364 2.734 30 20 BFED C#CCSCCNC(=O)C(C)(C)CC(C)C 175436286 WGEAUCZIIYDORI-UHFFFAOYSA-N 241.400 2.541 30 20 BFED CCCCCCCCN(C)C[C@H](C)C(=O)NC 176367500 CVDAUURSKUWRDW-ZDUSSCGKSA-N 242.407 2.661 30 20 BFED C[C@@H]1CC[C@@H](CC(=O)OCCCC#N)C1 177433369 SHHAUJPTUJFHPX-GHMZBOCLSA-N 209.289 2.660 30 20 BFED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)c1ccccc1 181740866 ORXPODSICHKDIH-SWLSCSKDSA-N 244.338 2.845 30 20 BFED C#CCC(C)(C)C(=O)Nc1cccc(C)c1O 184841816 OUOYSHHBZOMDBO-UHFFFAOYSA-N 231.295 2.689 30 20 BFED CC#CCCCC(=O)NC(C)(C)CCC 185350163 PILIOFWGWVRGGX-UHFFFAOYSA-N 209.333 2.875 30 20 BFED C=C(C)CNCC1=Cc2ccccc2OC1 189051593 IXHKWYGPEZUSBR-UHFFFAOYSA-N 215.296 2.628 30 20 BFED CC[C@H](CC#N)NC(=O)c1csc(Cl)c1 189650657 HZKAYGXRPMXSPW-MRVPVSSYSA-N 242.731 2.824 30 20 BFED C=CCN(CC=C)C(=O)NCC(C)(C)CC 190741113 QFXOJQWFLPWQTI-UHFFFAOYSA-N 224.348 2.806 30 20 BFED C#CCCCC(=O)Oc1ccc(F)cc1 192037327 WBGJRZFAZJGWAB-UHFFFAOYSA-N 206.216 2.535 30 20 BFED Cn1nccc1C(=O)/C=C/c1ccc(F)c(F)c1 193056417 JHJUPNZEOKIRFG-HWKANZROSA-N 248.232 2.594 30 20 BFED Cc1ccc(SC[C@H](O)CC#N)cc1C 221575293 HDKNOSIWDVBLAK-LLVKDONJSA-N 221.325 2.670 30 20 BFED C#CCOc1ccccc1CNCC1(CC)CC1 226785049 PNDNVPUDINBQTJ-UHFFFAOYSA-N 243.350 2.978 30 20 BFED C[C@H]1CCN(c2cccc(C#N)n2)[C@@H](C)C1 227168646 WYDMWMCGBYSNAZ-QWRGUYRKSA-N 215.300 2.578 30 20 BFED C#C[C@H](CC)NCc1cc(C)ccc1C 229882200 WNUQUDMYKCPPKM-CQSZACIVSA-N 201.313 2.805 30 20 BFED CCC(C)(C)CNc1nnc(C)c(C)c1C#N 233047421 ZQXOMJKCECOCNP-UHFFFAOYSA-N 232.331 2.813 30 20 BFED CC(C)C[C@@H](C#N)NC(=O)c1ccc(Cl)o1 259860914 GLZSPMWITHFVNG-QMMMGPOBSA-N 240.690 2.601 30 20 BFED Cc1cccc(C(=O)N2CCC[C@@H](CC#N)C2)c1 260033815 OSYAHYGJIYXZEC-ZDUSSCGKSA-N 242.322 2.761 30 20 BFED Cc1ccc(C)c(NC(=O)N(C)C[C@H](C)C#N)c1 263648455 GGWFVISCXKDOEC-LLVKDONJSA-N 245.326 2.927 30 20 BFED CCCN(Cc1ccccc1C#N)CC(C)(C)O 264295935 QPKGPVJYLOUGII-UHFFFAOYSA-N 246.354 2.541 30 20 BFED C=C(C)CNc1nc(-c2cn(C)nc2C)cs1 264707529 AWHJEEKQSKQHNY-UHFFFAOYSA-N 248.355 2.840 30 20 BFED C=CCCNc1ccccc1O[C@H]1CCOC1 268307431 ANPYAQVZDJLJJN-LBPRGKRZSA-N 233.311 2.842 30 20 BFED CS[C@@H]1CCCCN(c2cccc(C#N)n2)C1 269328739 AWZXWMKVCOKLLH-GFCCVEGCSA-N 247.367 2.675 30 20 BFED CCCCCCCCNC(=O)c1ccon1 269970842 YZBBCOBMVKDWNZ-UHFFFAOYSA-N 224.304 2.765 30 20 BFED C=CCN(C(=O)c1cccc(F)c1)C1CC1 271584995 VXMXGRINLKJRPG-UHFFFAOYSA-N 219.259 2.616 30 20 BFED Cc1ccc(F)cc1CN(CC#N)C1CC1 272302548 PXYPBJCJGMFOCA-UHFFFAOYSA-N 218.275 2.622 30 20 BFED CCC[C@H](NCCCC#N)c1cccnc1 273445464 NSTANVQRZQBKOL-ZDUSSCGKSA-N 217.316 2.816 30 20 BFED C#CCN(Cc1ccc(Cl)cc1C#N)C1CC1 274872223 XPBJVVBBTVRHAV-UHFFFAOYSA-N 244.725 2.809 30 20 BFED CCc1ccccc1CN(CC)CC#N 275524932 WEFJRQLDXALDPV-UHFFFAOYSA-N 202.301 2.594 30 20 BFED CN(CC#N)CCc1cccc(Cl)c1Cl 279855320 BGERUKKDAWOXTH-UHFFFAOYSA-N 243.137 2.991 30 20 BFED C=CC[C@@H](CC)NC(=O)CC(C)(F)F 281010277 FFYKCSWDXQYHKE-MRVPVSSYSA-N 205.248 2.503 30 20 BFED C=CC[C@H](CC)NC(=O)c1c(C)nn(CC)c1C 281055988 KTTFIYWZRJSRNJ-LBPRGKRZSA-N 249.358 2.604 30 20 BFED C#C[C@H](NC(=O)c1cc(F)ccc1C)C(C)C 281266244 DLNSLRLXGBCZFY-ZDUSSCGKSA-N 233.286 2.522 30 20 BFED C=CC[C@H](CC)NC(=O)N1CC=C(C)CC1 281412049 QISFHLCWOCIJHL-LBPRGKRZSA-N 222.332 2.703 30 20 BFED Cc1cnc(S[C@@H]2CC[C@@H](C#N)C2)nc1 283034906 NBZRAIKRROFTSP-NXEZZACHSA-N 219.313 2.569 30 20 BFED C=C(C)CCc1noc(Cc2c(C)noc2C)n1 285133063 NOOZEHFXMZGAIH-UHFFFAOYSA-N 247.298 2.774 30 20 BFED CC[C@@](C)(C#N)C(=O)O[C@@H]1CCc2cccnc21 285701808 HRDOWVQDJYEKCS-RISCZKNCSA-N 244.294 2.552 30 20 BFED C=CCC[C@H](NC[C@@H](C)OC)c1ccco1 287379110 ICUAXSYWVXMENU-NEPJUHHUSA-N 223.316 2.911 30 20 BFED C#CCCCCNc1snc(C)c1C#N 287887234 OIVULUNXPGDZCK-UHFFFAOYSA-N 219.313 2.539 30 20 BFED C=C[C@H](CO)N[C@@H](C)c1cccc(Cl)c1 289716926 JJBUDFRQAOWZDR-JOYOIKCWSA-N 225.719 2.538 30 20 BFED C#Cc1ccccc1CC(=O)N[C@@H]1CCC[C@H]1C 290183784 GGYOIOCKHJSNEO-IUODEOHRSA-N 241.334 2.515 30 20 BFED COCC1(COc2cccc(F)c2C#N)CCC1 291876201 LFASLEWGLRBTMD-UHFFFAOYSA-N 249.285 2.893 30 20 BFED C#CC(C)(C)NC(=O)CCc1ccc(C)s1 292042518 XVHWDUNNAVMBRA-UHFFFAOYSA-N 235.352 2.517 30 20 BFED CCC[C@H](CNc1ccc(C#N)cc1F)OC 293793139 XNJFMZYGTHHTPV-LLVKDONJSA-N 236.290 2.924 30 20 BFED C=CCN(C)C(=O)c1ccc(OC(C)(C)C)cn1 294555445 NIGWRJHPRASFFS-UHFFFAOYSA-N 248.326 2.517 30 20 BFED CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(C)(C)O 294998313 LVUOAESATUXHPJ-BXUZGUMPSA-N 246.354 2.758 30 20 BFED C=CC(C)(C)C(=O)NC[C@@H]1CCC(F)(F)C1 295112986 ITQCATWXLURGQW-SECBINFHSA-N 231.286 2.750 30 20 BFED Cc1nn([C@H](C#N)C2CCCCC2)cc1[N+](=O)[O-] 295448631 WGVPVGKSFGDVDN-LLVKDONJSA-N 248.286 2.745 30 20 BFED C=CC1CCN(c2noc(C(C)(C)C)n2)CC1 302114861 CENXISTXYYPDIG-UHFFFAOYSA-N 235.331 2.770 30 20 BFED C[C@H](C#N)OCCN1CCC[C@@H]1C1CCCC1 302366625 KMHHQUUFCIDAJJ-TZMCWYRMSA-N 236.359 2.570 30 20 BFED C[C@@H](C#N)OCCN1C[C@H](C)Cc2ccccc21 305953581 AOSRVFIYPFWOFF-OLZOCXBDSA-N 244.338 2.614 30 20 BFED CC[C@@H]1CCCN(c2cc(C#N)nc(C)n2)CC1 308191766 OMFHITUNJHUVNW-GFCCVEGCSA-N 244.342 2.673 30 20 BFED Cc1cc(C#N)cc(NC(=O)c2cccnc2)c1 308213296 XQUUQIDFEBBWHL-UHFFFAOYSA-N 237.262 2.514 30 20 BFED C=C(CC)CNCc1ccc2c(c1)OCCO2 313487310 XJXFJVVNMRPISC-UHFFFAOYSA-N 233.311 2.514 30 20 BFED C=CCN(C)C(=O)[C@H]1CCC(C)=C(C)C1 335443324 NJADUILHYGFTMY-LBPRGKRZSA-N 207.317 2.767 30 20 BFED C=C(C)C(C)(C)C(=O)N1CCC(C)CC1 335481535 MEXCRVSFGFBVTE-UHFFFAOYSA-N 209.333 2.847 30 20 BFED CCC1(C(=O)N[C@@H]2CC[C@H](C#N)C2)CCCC1 335600116 HLCCLGUJXNKWCN-NWDGAFQWSA-N 234.343 2.765 30 20 BFED Cc1ccc(C(=O)NCCC#N)c(Cl)c1C 335730894 UMVYIGXTCBCKTJ-UHFFFAOYSA-N 236.702 2.600 30 20 BFED C=C[C@@H]1CCCCN1C(=O)Cc1cccs1 335761032 MKOZIXOLLXPCIO-LLVKDONJSA-N 235.352 2.858 30 20 BFED C=C(CC)Cn1nc(C#N)c2ccccc21 335784215 GWSVRDUDVRPQQM-UHFFFAOYSA-N 211.268 2.874 30 20 BFED C[C@H]1C[C@@]1(C#N)C(=O)N1CCC(C(C)(C)C)CC1 336223667 PMSNNOOLLHJRRF-NHYWBVRUSA-N 248.370 2.821 30 20 BFED C=C[C@@H](C)NC(=O)Nc1c(C)cccc1C 336459981 FFEQMNPYLUVQHY-LLVKDONJSA-N 218.300 2.999 30 20 BFED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)CC1CC1 336734079 HBUKNFKOSMYZNH-UBHSHLNASA-N 223.360 2.746 30 20 BFED C=C(C)[C@H](CC(=O)N[C@@H]1CCC[C@@H]1C)OCC 337164380 WSQQZPSVUCMELK-XQQFMLRXSA-N 239.359 2.663 30 20 BFED C=CCCC[C@H](C)N1CCOC[C@@H](C)C1 340969598 SRXRAOZGZUUXOR-STQMWFEESA-N 211.349 2.700 30 20 BFED C=CCCc1noc(-c2ccnc(C3CC3)n2)n1 351131664 QAOFBBOLCDXEER-UHFFFAOYSA-N 242.282 2.523 30 20 BFED C=CCCSc1nnc(-c2ccncc2)o1 351577360 FOIKJLWZIZARAH-UHFFFAOYSA-N 233.296 2.800 30 20 BFED C=CC[C@H](CO)CNCc1ccc2occc2c1 352736057 FFBCADJBVGVPKI-ZDUSSCGKSA-N 245.322 2.707 30 20 BFED CO[C@H](C)CCN[C@@H]1CCc2ccc(C#N)cc21 353427031 ODIQQYPWOUJOQQ-IAQYHMDHSA-N 244.338 2.560 30 20 BFED C=C(C)CNC(=O)C1(Cc2ccccc2F)CC1 353759066 NVOOLPHDLSNIQH-UHFFFAOYSA-N 247.313 2.841 30 20 BFED C=CC[C@H](CC)N[C@@H](C(=O)OC)c1ccccc1 354782207 IZWPUGUJSFNVGZ-UONOGXRCSA-N 247.338 2.845 30 20 BFED C=C(CC)CN1C(=O)C[C@@](C)(CC(C)C)C1=O 358656651 QHGIQPSMDSZLAL-CQSZACIVSA-N 237.343 2.764 30 20 BFED C=CCOCC(=O)N[C@H](C)c1cccc(C)c1C 359994297 VMQMCWDTVGVARP-CYBMUJFWSA-N 247.338 2.683 30 20 BFED C[C@@H](NC(=O)CCCC#N)C1CCCCC1 360282473 JUAZJSIRTCJOKY-LLVKDONJSA-N 222.332 2.765 30 20 BFED C=C[C@@H](C)NC(=O)c1ccc(OC2CCC2)cc1 362588576 QLGKEMANLRTWQB-LLVKDONJSA-N 245.322 2.922 30 20 BFED 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CC(C)=CC(=O)N[C@H](C)c1cccc(C#N)c1 743777917 ZJIUBBMLCAIULM-LLVKDONJSA-N 228.295 2.702 30 20 BFED C=C(C)CN(CC)C(=S)N[C@@H](C)CC 749757554 ONMWKVRXLIKWDH-JTQLQIEISA-N 214.378 2.557 30 20 BFED CC[C@@H](C#N)OC(=O)c1ccc(F)cc1Cl 753423658 CNEWNAIGUVHYGC-QMMMGPOBSA-N 241.649 2.938 30 20 BFED C#CC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 754005228 VKIFMRCFBWPRDD-HUUCEWRRSA-N 241.334 2.537 30 20 BFED Cc1cccc(NN=C2CN(C3CC3)C[C@@H]2C)c1 755872076 NWCGBWAJISUSKO-LBPRGKRZSA-N 243.354 2.877 30 20 BFED CCC(CC)NN=C1CCO[C@H](CC)C1 756829498 QWSOSLVLGKICPQ-GFCCVEGCSA-N 212.337 2.710 30 20 BFED C#CC[C@H](NCc1ccccn1)c1ccccc1 756996852 SIQKMTUZBBDRRY-INIZCTEOSA-N 236.318 2.936 30 20 BFED CCC(C)(C)C(=O)OCC1(C#N)CCC1 768098718 HJEAJIBWOOULQC-UHFFFAOYSA-N 209.289 2.660 30 20 BFED CCCON=C1CCOc2ccc(OC)cc21 774844362 ABDNYCDHJDXVQI-UHFFFAOYSA-N 235.283 2.608 30 20 BFED Clc1ccnc(NN=Cc2cscn2)c1 777906418 AKHZKFWFEVZBNE-UHFFFAOYSA-N 238.703 2.638 30 20 BFED C#CCOc1cccc(Cl)c1CN(C)CC=C 779188703 YHEQTANIWXRIFQ-UHFFFAOYSA-N 249.741 2.970 30 20 BFED COCC(=NNc1ccccn1)C1CCCC1 780196013 HGLYKJARZZMYBO-UHFFFAOYSA-N 233.315 2.686 30 20 BFED COCCON=CC1(CCOC)CCCCC1 780230657 SKPLHVMSCGWCLF-UHFFFAOYSA-N 243.347 2.622 30 20 BFED CC[C@@H](C)[C@@H](C)C(=O)OCCCCC#N 780242743 ALNIPCOEGHUVDB-GHMZBOCLSA-N 211.305 2.906 30 20 BFED CC1(C=NNc2cc(C#N)cc(Cl)n2)CC1 782266468 KCTQOSNYMXSIJD-UHFFFAOYSA-N 234.690 2.804 30 20 BFED C=CCCC(=O)OC[C@H]1CCC2(CCCC2)O1 783375266 PZKZRPMDBYSSFE-GFCCVEGCSA-N 238.327 2.988 30 20 BFED C=C(CC)COC(=O)c1cc2occc2[nH]1 786030689 WFZNXRPFIXRNNE-UHFFFAOYSA-N 219.240 2.884 30 20 BFED Cn1ccnc1NN=C1CCC[C@H](C2CC2)C1 790305246 GNBXMCXCEGFVLS-NSHDSACASA-N 232.331 2.788 30 20 BFED C=CCC1(C(=O)NOC2CCCC2)CCC1 790849367 RFAWYYHYLJHVIK-UHFFFAOYSA-N 223.316 2.723 30 20 BFED CC(C)CCOC(=O)COc1ccc(C#N)cc1 791227355 PKTAUZMCHKNWCE-UHFFFAOYSA-N 247.294 2.526 30 20 BFED C#CCCCCCC(=O)O[C@H](C)c1ccnn1C 791936275 SJHFRWABDBCGAG-GFCCVEGCSA-N 248.326 2.608 30 20 BFED CCO[C@@H]1CC(=NOC[C@H](C)CC)[C@H]1SC 793146436 RRHYKBITKDAUPM-YUSALJHKSA-N 245.388 2.946 30 20 BFED CC[C@H](C)CON=Cc1cc(F)ccc1O 793147143 ZKTMYCIGOZKHQE-VIFPVBQESA-N 225.263 2.928 30 20 BFED C=CCN(C)C(=O)[C@@H](F)CC1CCCCC1 793874090 GPUCRFYKJXNYPH-LBPRGKRZSA-N 227.323 2.939 30 20 BFED C#CCNC(=O)[C@@H](C)c1cccc(CC(C)C)c1 794806925 PKGCUKVCVHFZAE-ZDUSSCGKSA-N 243.350 2.738 30 20 BFED C#CCCCN[C@@H](c1cccnc1)C1CCC1 795793937 AKJNUCFQPOQWPB-OAHLLOKOSA-N 228.339 2.926 30 20 BFED C=CCN(C[C@H](O)CCC(C)C)C(C)C 796454637 LJOOHQWVUCOJBL-CYBMUJFWSA-N 213.365 2.680 30 20 BFED C=C(C)CS(=O)(=O)Oc1cccc(Cl)c1 797816815 ICPCKDBVWIOVRU-UHFFFAOYSA-N 246.715 2.625 30 20 BFED CC[C@@H](C)[C@H](C)C(=O)OCCCSCC#N 805528984 YUXUDCLOPIPSPD-MNOVXSKESA-N 243.372 2.859 30 20 BFED COCCCC(C)=NNCC1CCCC1 808007066 NUQMUCMVKUHZQS-UHFFFAOYSA-N 212.337 2.569 30 20 BFED C#CCOC(=O)c1nc2ccccc2cc1Cl 810538222 ZSEWULUZZDZKSA-UHFFFAOYSA-N 245.665 2.678 30 20 BFED C=CCCCCCCCNC(=O)c1cnccn1 810765750 DPTXPXPPZFBAAM-UHFFFAOYSA-N 247.342 2.733 30 20 BFED COc1ccsc1C=NOCCOC(C)C 812239051 LRLLILDUNDAPDQ-UHFFFAOYSA-N 243.328 2.532 30 20 BFED C#CCOc1ccccc1C=NOCCC1CC1 814246925 ILBSYRCIPMTYKA-UHFFFAOYSA-N 243.306 2.849 30 20 BFED CC[C@@H]1CCC[C@H](C=NN[C@@H]2CCC[C@H]2O)C1 817335504 HONXZNULBXKYQA-XJFOESAGSA-N 238.375 2.692 30 20 BFED C=CCCC(=O)Nc1nc(C(C)=O)c(C)s1 820450777 ZHMJNDHSUFHCLU-UHFFFAOYSA-N 238.312 2.559 30 20 BFED C[C@@H](C#N)CN(C)CC[C@@H]1CC1(Cl)Cl 822603083 VLUYTPVIQKPZNY-DTWKUNHWSA-N 235.158 2.662 30 20 BFED C=CC1CCN(C(=O)/C=C(\C)CC)CC1 823244382 UAKJNYOVRLDDFG-ZHACJKMWSA-N 207.317 2.767 30 20 BFED C=C[C@H](CC)CC(=O)N[C@H]1CCS[C@@H]1C 823721782 XOCLOOBLBUKUSF-MXWKQRLJSA-N 227.373 2.599 30 20 BFED C#Cc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 825227716 YYQSQFVWDVEBEH-GOEBONIOSA-N 238.334 2.840 30 20 BFED C#C[C@@H](NC(=O)N[C@@H](C)CC=C)c1ccccc1 826024901 OBKDTRMKGSJCJR-GXTWGEPZSA-N 242.322 2.625 30 20 BFED CC(C)=NNc1cc(C(F)(F)F)ccn1 834984616 XCLAVXIYVNFYRA-UHFFFAOYSA-N 217.194 2.908 30 20 BFED C=C[C@@H](C)OC(=O)Cc1cc(F)c(C)cc1F 835327980 IJICPRJOHBGMGT-SECBINFHSA-N 240.249 2.933 30 20 BFED C=CCC1(C(=O)Oc2cnn(CC)c2)CCCC1 835400608 VGALOXFRWBTOCH-UHFFFAOYSA-N 248.326 2.945 30 20 BFED C=CC(C)(C)COC(=O)c1cnc2n1CCCC2 835722871 YXAXMYKWXLHPFC-UHFFFAOYSA-N 248.326 2.588 30 20 BFED CC(C)(C)C#CC(=O)NC[C@@H]1CCCC1(F)F 837681946 RJBLPINHMHRJFL-JTQLQIEISA-N 243.297 2.588 30 20 BFED C=CC(C)(C)C(=O)OCCSC(C)C 837862515 SUUXYZNNFFABPJ-UHFFFAOYSA-N 216.346 2.883 30 20 BFED C[C@@H](CCc1ccccc1)OC(=O)C#CC1CC1 838367818 UHXLYBRAPQGNPQ-ZDUSSCGKSA-N 242.318 2.964 30 20 BFED C=CCN(C(=O)N[C@@H]1C[C@H]1C(C)C)C(C)C 838761700 XXPDCMQAKDSFHM-NWDGAFQWSA-N 224.348 2.637 30 20 BFED N#Cc1csc(CNc2nccn2C2CC2)c1 840887843 XJZKJTALUTURLA-UHFFFAOYSA-N 244.323 2.763 30 20 BFED COCC(CC(C)(C)C)=NNC1CCCC1 844582548 LJKMLZGFGHAYIH-UHFFFAOYSA-N 226.364 2.957 30 20 BFED COC[C@@H](C)NN=Cc1ccc(C)cc1Cl 844591036 ZTGXDWWSLYTERS-SNVBAGLBSA-N 240.734 2.607 30 20 BFED C=C[C@@H](C)ON=C(CC)c1ccc(F)cn1 844620644 NITVCAFCRRGMLZ-SECBINFHSA-N 222.263 2.926 30 20 BFED C=C(C)CONC(=O)C[C@H](CC)C(C)C 846538938 MMNBODMPDPZCOU-NSHDSACASA-N 213.321 2.683 30 20 BFED C=C[C@H](C)ONC(=O)c1ccc(C(C)C)cc1O 846551226 YDYBQRMBTAVQBI-JTQLQIEISA-N 249.310 2.752 30 20 BFED C=CCCCCOC(=O)Cn1cc(C2CC2)cn1 849977216 SDQJGDMSYXYYKV-UHFFFAOYSA-N 248.326 2.660 30 20 BFED C=C[C@@H](C)OC(=O)c1cc(COC)cs1 850968942 IQSSQNSGITZBAV-MRVPVSSYSA-N 226.297 2.626 30 20 BFED C#C[C@@](C)(CC)NCc1nnc(C(C)C)s1 852103428 HTHWSBRTHHSISO-LBPRGKRZSA-N 237.372 2.553 30 20 BFED N#Cc1cc(F)ccc1CN1CC[C@H]2C[C@@H]2C1 852635499 NHTPWVSFEBTQON-GXFFZTMASA-N 230.286 2.539 30 20 BFED C#C[C@](C)(CC)NC(=O)[C@@H](C)SCCCC 854701905 XIVVHAHPEVDCIR-DGCLKSJQSA-N 241.400 2.826 30 20 BFED C=C[C@H](CO)NC(=O)C[C@H](C)CCCCCC 856275039 PJEYCAWEUCIZIW-CHWSQXEVSA-N 241.375 2.646 30 20 BFED C#C[C@@H](C)OC(=O)CCc1cccc(OCC)c1 860560298 FZOABFWDUKRLBZ-GFCCVEGCSA-N 246.306 2.583 30 20 BFED CCCCCCCNC(=O)C(CC)(CC)CO 862356115 WHIRGRVGSWITSN-UHFFFAOYSA-N 243.391 2.872 30 20 BFED CC1(C)CCC(C)(C)N(C(=O)C#CC2CC2)C1 862588079 YMSFQGZEUIEXNS-UHFFFAOYSA-N 233.355 2.827 30 20 BFED C=C[C@@H](C)ON=C1CCC(CC(=O)OC)CC1 863124260 SHWHVWOLNTUGKX-NFJWQWPMSA-N 239.315 2.687 30 20 BFED C=C(Cl)COc1ccc2c(c1C)OCC2=O 871800707 QUVBBAPJBBLNDP-UHFFFAOYSA-N 238.670 2.701 30 20 BFED Cc1ccc(C#N)nc1N[C@H]1CC12CCC2 872775576 VNHJTFNQKFKGBZ-NSHDSACASA-N 213.284 2.616 30 20 BFED C=CCSCCNC(=O)[C@@H](CC)CCC 874246224 BLOWHRFDOCPSPB-NSHDSACASA-N 229.389 2.848 30 20 BFED C=CCCC(=O)N1CCCc2ccc(C)nc21 876490233 NRCGBCZXOKAQHA-UHFFFAOYSA-N 230.311 2.635 30 20 BFED C#CCCCCCCNC[C@@H]1CCCCO1 876972397 SQTNQBDRJQIMRB-AWEZNQCLSA-N 223.360 2.729 30 20 BFED Cc1ccc(N2CCCC3(CC3)C2)c(C#N)n1 882199867 RLKBCKOACAQYQS-UHFFFAOYSA-N 227.311 2.642 30 20 BFED N#CCCCCN(CC(F)F)C1CCC1 887098915 HSKMPUMPMYXMMD-UHFFFAOYSA-N 216.275 2.800 30 20 BFED C#Cc1ccc(NC(=O)/C=C(\C)C2CC2)cc1 891314052 HHOJUXHFJZGANV-ZHACJKMWSA-N 225.291 2.963 30 20 BFED C=CC1(OC(=O)C[C@@H]2CCC[C@H](OC)C2)CC1 893363490 ATVXAAFXBGRYQS-NEPJUHHUSA-N 238.327 2.844 30 20 BFED C=C1CCC(C(=O)Nc2cnn(CCC)c2)CC1 896693556 NCJVFNVDDHIPBO-UHFFFAOYSA-N 247.342 2.978 30 20 BFED CSC1(c2noc(C3(C#N)CCCC3)n2)CC1 896782620 BPEPMFPYBGWYHQ-UHFFFAOYSA-N 249.339 2.757 30 20 BFED C#Cc1ccc(N[C@H]2CCOC[C@@H]2C)cc1 898497855 DCRIXECHPRCSOS-FZMZJTMJSA-N 215.296 2.505 30 20 BFED C=CC[C@H]1CCCN(C(=O)NC/C=C/Cl)C1 899034114 HIJYNTNOHDLYQM-ZPMKCOPCSA-N 242.750 2.737 30 20 BFED C=CC(C)(C)CC(=O)N(CCC)CC(C)(C)O 899146918 DDGIOUSHPKORQF-UHFFFAOYSA-N 241.375 2.598 30 20 BFED CC1CC(CSCCO[C@H](C)C#N)C1 901787198 JYXIRFAAQBBGEY-HSOILSAZSA-N 213.346 2.694 30 20 BFED CCCCCCCn1c(C)cc(C)nc1=O 902512155 RVKBECYMSHYQAI-UHFFFAOYSA-N 222.332 2.831 30 20 BFED N#C[C@@H]1CC[C@@H](N[C@@H](c2ccccn2)C2CC2)C1 903335042 KDXISSZJKCEHKM-UXIGCNINSA-N 241.338 2.815 30 20 BFED C=CC[C@@H](CC)NC(=O)/C=C(/C)Cl 907961886 GUDOJXUGVBFWJO-UFGYOYAJSA-N 201.697 2.600 30 20 BFED C=C(C)CNc1ccccc1CN1CCOCC1 917828505 JDYAXKISUHNRPN-UHFFFAOYSA-N 246.354 2.507 30 20 BFED C=CC[C@@H](CC)NC(=O)N[C@@]12CCC[C@@H]1C2 922335207 IUVQWGPAGRXJTM-NQBHXWOUSA-N 222.332 2.583 30 20 BFED Cc1nn(C)cc1[C@H](C)N[C@H](C)CC(C)(C)C#N 924951346 SCPMPNCOZRJPPE-MNOVXSKESA-N 248.374 2.708 30 20 BFED CC[C@@H]1C[C@H]1CN(C[C@@H](C)C#N)C1CC1 930086876 KDXLPOFOLWPXDD-TUAOUCFPSA-N 206.333 2.657 30 20 BFED C=CC[C@H](CC)NC(=O)c1cc(C#N)ccc1C 935798607 GWHCCUHSWSJEOA-ZDUSSCGKSA-N 242.322 2.951 30 20 BFED CC(C)n1nccc1C=NOC(C)(C)C 1116886560 MTDGMDSKVHHZBO-UHFFFAOYSA-N 209.293 2.613 30 20 BFED C#CC1CCC(=NNc2ccc(C#N)cn2)CC1 1119362362 DJEDCEDETBTLHW-UHFFFAOYSA-N 238.294 2.545 30 20 BFED C=C[C@@H](CC)CC(=O)N(C)c1ccc(N)cc1 1122094318 LICWUJNFOKVANN-NSHDSACASA-N 232.327 2.834 30 20 BFED CCN1CCC[C@H](CNc2ccc(C#N)cc2)C1 1318090344 FGQRQBDWGPYMTH-CQSZACIVSA-N 243.354 2.702 30 20 BFED C=CC(C)(C)CNC(=O)NCCCC(F)F 1335168261 ZOHGZMMNFRXQLI-UHFFFAOYSA-N 234.290 2.543 30 20 BFED CC[C@@H](F)C(=O)Nc1cc(C#N)ccc1C 1335824565 LAEFQNFDNZRBMY-SNVBAGLBSA-N 220.247 2.553 30 20 BFED C#CCOCCN(C)CCCc1ccc(C)cc1 1337640433 OBXOMSHBOJFZLH-UHFFFAOYSA-N 245.366 2.509 30 20 BFED C=C[C@H](C)NC(=O)[C@H]1Cc2ccc(C)cc2S1 1340245839 NTCBJJGIQMANDI-GXFFZTMASA-N 247.363 2.703 30 20 BFED C#C[C@H](CC)OC(=O)c1ccc(C(C)=O)c(C)c1 1345645810 AYJQNCWJJGASPC-CYBMUJFWSA-N 244.290 2.766 30 20 BFED C=C(CC)C(=O)Nc1cc(CC(C)C)nn1C 1346372744 FXLGGMJEHALKEF-UHFFFAOYSA-N 235.331 2.523 30 20 BFED C#C[C@H](NCc1cccn1C1CC1)C(C)C 1347793048 VGMPSMIYPOXRLZ-AWEZNQCLSA-N 216.328 2.570 30 20 BFED C=C(C)[C@H](C)OC(=O)c1cnn(C2CCC2)c1 1348002798 BTTGBNHBAGCVOZ-JTQLQIEISA-N 234.299 2.730 30 20 BFED COc1ccc(O)c(/C=N/C/C=C\C2CC2)c1 1348488415 NWPILHXMOAZMRT-GOYXIKCASA-N 231.295 2.786 30 20 BFED C=CCC(C)(C)CNC(=O)[C@H]1CCC[C@H]1OC 1354899970 SWIPCHSEJNCVRX-NWDGAFQWSA-N 239.359 2.520 30 20 BFED C=C[C@H](NCc1ccc(C2CCC2)cc1)C(=O)O 1588701695 WVXZVUKRWVZLOE-AWEZNQCLSA-N 245.322 2.683 30 20 BFED N#Cc1ccc(CCNc2nccs2)cc1 1642929350 VAGWARZTPZRNKC-UHFFFAOYSA-N 229.308 2.669 30 20 BFED CCn1ccc(CNc2cc(F)cc(C#N)c2)n1 1651427917 PLSXKQWRZMDCPJ-UHFFFAOYSA-N 244.273 2.526 30 20 BFED C=C[C@@H](C)ON=Cc1ccc(C)c(C(=O)O)c1 1776090550 NUQSSEUCFBMYTD-SNVBAGLBSA-N 233.267 2.618 30 20 BFED O=C(/C=C\c1ccc(O)cc1)c1ccc(O)cc1 13542553 FZQLEXXZAVVCCA-KMKOMSMNSA-N 240.258 2.994 30 20 BFED biogenic,in-vitro N#CCCCN1CCC[C@H]1c1cccnc1 34492699 BFWLAJRDIPHRHF-ZDUSSCGKSA-N 215.300 2.522 30 20 BFED CC(C)Oc1cccc(CNC[C@@H](C)C#N)c1 54181684 WVIMJHVRMLGFQD-LBPRGKRZSA-N 232.327 2.723 30 20 BFED N#Cc1cc(NCc2ccc(F)cc2F)ccn1 61812201 SUTYZFDHFJDTKU-UHFFFAOYSA-N 245.232 2.844 30 20 BFED N#Cc1ccc(Cl)cc1NC[C@@H]1CCCNC1 62785815 NHWSWGVUCXSGBW-SNVBAGLBSA-N 249.745 2.623 30 20 BFED C#CC(C)(C)NC(=O)c1cc2c(s1)CCCC2 70118831 BOHNXUIKNSTOGM-UHFFFAOYSA-N 247.363 2.769 30 20 BFED Cc1cc(C#N)ccc1N1CCSC[C@H]1C 70222509 HJMOPRWBTFFNLB-LLVKDONJSA-N 232.352 2.808 30 20 BFED CCC(C)(C)NC(=O)Nc1cccc(C#N)c1 76425511 ZZYQMZXFBXAIEF-UHFFFAOYSA-N 231.299 2.868 30 20 BFED N#Cc1ccc(CNCCC2CC2)c(F)c1 83894833 UQKNUCYZUXGTFO-UHFFFAOYSA-N 218.275 2.587 30 20 BFED CC(C)OCCOc1cccc(F)c1C#N 86476942 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C=C(C)CNC(=S)N(CC)Cc1ccoc1 726494098 MRXXXINHWQHUMA-UHFFFAOYSA-N 238.356 2.552 30 20 BFED C#CCCOC(=O)C[C@@H]1CCCC[C@H]1C 727042217 QNWSSHCHRHRWPA-NEPJUHHUSA-N 208.301 2.769 30 20 BFED C[C@H]1CCCC1=NNc1ccccc1C(=O)O 729142892 FJCPXMLFXJWVQQ-VIFPVBQESA-N 232.283 2.973 30 20 BFED C#Cc1cccc(NC[C@@H](C#N)CCC#N)c1 732916250 KGDFAMPVAIWOFJ-CYBMUJFWSA-N 223.279 2.523 30 20 BFED C=CCCCOC(=O)c1ccc(Cl)cn1 736857167 PSAOXZMVPIABDL-UHFFFAOYSA-N 225.675 2.858 30 20 BFED C[Si](C)(C)COC(=O)c1ccccc1CC#N 740953840 ZQRBHPBIBBNJRI-UHFFFAOYSA-N 247.370 2.787 30 20 BFED CCCCNN=Cc1cc(C)c(C)cc1O 741760674 AQTXNKABTVIEGM-UHFFFAOYSA-N 220.316 2.733 30 20 BFED C[C@@H](CC#N)OC(=O)c1cnc2ccsc2c1 744134542 CSYLJBRHYNNFFB-QMMMGPOBSA-N 246.291 2.755 30 20 BFED C=CCNC(=S)N[C@H](CC)C1CCCCC1 751024019 FLEUQYQBHPYLHR-GFCCVEGCSA-N 240.416 2.995 30 20 BFED Cc1ccc(Cl)cc1C(=O)O[C@@H](C)C#N 753449099 XQXBPYLZUPPCNH-QMMMGPOBSA-N 223.659 2.717 30 20 BFED N#Cc1ccc(OC(=O)C2CC(F)(F)C2)cc1 753624686 LUAIPWVBVXDADU-UHFFFAOYSA-N 237.205 2.509 30 20 BFED Cc1cc(C(=O)O[C@H](C)C(C)(C)C#N)c(C)n1C 753627883 HCVLFWGXPIAMJR-LLVKDONJSA-N 248.326 2.737 30 20 BFED CC(=NO[C@H]1CCCCO1)c1ccc(O)cc1 755813662 HCVWPNVDPKSPNR-ZDUSSCGKSA-N 235.283 2.659 30 20 BFED CCCCC(COC)=NNc1cc(C)ccn1 755902401 LFHJUIWPFCVILK-UHFFFAOYSA-N 235.331 2.995 30 20 BFED C#CCCCC(=O)NCCCCc1ccccc1 757793824 UKOWYYDKZBTNQH-UHFFFAOYSA-N 243.350 2.929 30 20 BFED C#CCCCC(=O)N[C@H](CC)CC(F)(F)F 758036568 ZBEUQHYJJKOWDU-SECBINFHSA-N 235.249 2.637 30 20 BFED Cc1ccc(C=NOCC(F)F)cc1F 758899821 ODNXMZAJDDKPCB-UHFFFAOYSA-N 217.190 2.750 30 20 BFED Cc1cc(C=NNc2ccccn2)cnc1Cl 760227550 XJCGJNCTXIZRFW-UHFFFAOYSA-N 246.701 2.884 30 20 BFED CC#CCCOC(=O)c1ccnn1C1CCCC1 760286823 AEIHZWWVWYTVPG-UHFFFAOYSA-N 246.310 2.568 30 20 BFED CO[C@@H](C)C(C)=NNc1ccc(F)cc1 763116007 ILQNWMMIGXZBIL-VIFPVBQESA-N 210.252 2.648 30 20 BFED CCCCCCCC(=O)N1CC(C)(OC)C1 767164556 NOVZFXXPQGUNEC-UHFFFAOYSA-N 227.348 2.594 30 20 BFED C#CCC(C)(C)C(=O)OC/C(Cl)=C/Cl 767662699 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CC[C@H](NN=C(C)[C@@H](C)c1ccccc1)C(=O)O 793072580 NVJHCIOYUQGWDA-MFKMUULPSA-N 248.326 2.619 30 20 BFED Cc1cnn(C)c1/C=C\C(=O)c1ccc(F)cc1 794692892 YICHSJXYQALZCC-FPLPWBNLSA-N 244.269 2.764 30 20 BFED C[C@H]1CSCC1=NNC1CCCCC1 794932326 DSHAKAPKFPQDDA-VIFPVBQESA-N 212.362 2.648 30 20 BFED C=CCNN=C1C[C@@H](OCCCC)C1(C)C 794994766 YDHYGSIRDRZYJI-GFCCVEGCSA-N 224.348 2.733 30 20 BFED C=CCCOC(=O)C[C@H](O)CC[C@H](C)CC 796351464 QERYWZIIUQKTNJ-VXGBXAGGSA-N 228.332 2.683 30 20 BFED CCC/C(C)=C\C(=O)NCC1(CC#N)CC1 797563239 PPPAVBYVFDPMRJ-LUAWRHEFSA-N 220.316 2.543 30 20 BFED CC(C)C[C@@H](C)COC(=O)c1cc(C#N)c[nH]1 798629913 MIKFMQDTPTUIMN-SNVBAGLBSA-N 234.299 2.725 30 20 BFED Cc1ccc2c(c1)N(CCO[C@@H](C)C#N)CCC2 801921183 YYYUZGIVRYNWRW-ZDUSSCGKSA-N 244.338 2.676 30 20 BFED Clc1cncc(NN=CCCC2CC2)n1 807962028 BFIFULCLSFWDMY-UHFFFAOYSA-N 224.695 2.718 30 20 BFED Cc1ccc(NN=C2CCOC2(C)C)cc1 814685946 RISUTRQAYBKEDF-UHFFFAOYSA-N 218.300 2.962 30 20 BFED CC(=NNC1CCCC1)c1ccc(C)nc1C 814833091 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BFED C=C[C@@H](C)NC(=O)CC[C@H]1CC1(Cl)Cl 829975567 LQQMIQGQMCEUCI-SFYZADRCSA-N 236.142 2.651 30 20 BFED C=CCNC(=O)[C@@H](C)Sc1ccc(C)s1 830042817 CGGMKHIMXKIRLR-SECBINFHSA-N 241.381 2.839 30 20 BFED CO[C@@H]1CC(=NNc2ccc(F)cn2)C12CCC2 834957473 WSWYXHMMITZTTL-LLVKDONJSA-N 249.289 2.578 30 20 BFED C[C@H]1CC(=NNCCC(C)(C)C)C[C@@H](C)O1 834972928 HRBQLERXVQMQRI-PHIMTYICSA-N 226.364 2.956 30 20 BFED CCC(=NNCc1ccc(C)cc1)[C@@H]1CCOC1 835008058 DKQQLPGOMOUHMN-CQSZACIVSA-N 246.354 2.887 30 20 BFED CC(=NNCc1ccc(C)cc1)[C@H]1CCCO1 835009488 XHZLBDJIGNCJNK-CQSZACIVSA-N 232.327 2.640 30 20 BFED C=C(C)CCNC(=O)C[C@H](O)CC[C@@H](C)CC 836825026 SFASNJDNVZCGNX-QWHCGFSZSA-N 241.375 2.646 30 20 BFED C=CCC1(NC(=O)C[C@H](C)OC)CCCCC1 836957879 YXRVNYBOLZPMKR-LBPRGKRZSA-N 239.359 2.807 30 20 BFED Cc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)n1C 839046585 OTIUDKKALGJXLV-RYUDHWBXSA-N 246.310 2.573 30 20 BFED C/C=C(\C)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839055786 OJGFEDNRFWKEHV-WSAUGYEQSA-N 207.273 2.578 30 20 BFED CCC1(C)CCC(=NN(C)C(=S)NC)CC1 841647867 LWTMGFYUCTZJPR-UHFFFAOYSA-N 241.404 2.769 30 20 BFED CC(CCCC(C)C)=NN(C)C[C@@H](C)O 841651202 NMYHVOHJKLGXDL-GFCCVEGCSA-N 214.353 2.501 30 20 BFED CC[C@H](C)Cn1cc2c(c(C#N)c1=O)CCCC2 842572641 FIEMJIMTOSVLLR-NSHDSACASA-N 244.338 2.645 30 20 BFED C=C[C@@](C)(CC)COC(=O)CC1(COC)CC1 842771587 LTAJLLYTQOUMIS-ZDUSSCGKSA-N 240.343 2.949 30 20 BFED C#C[C@H](NC(=O)[C@@H]1CC[C@@H](C)C1)c1ccccc1 843638530 CJWGZSNPTWKALQ-YUELXQCFSA-N 241.334 2.913 30 20 BFED CC(=NNCC1(C)CCCC1)c1cncnc1C 848411306 ZSGDYIZZMQSQMP-UHFFFAOYSA-N 246.358 2.679 30 20 BFED C=CCCCCCN(C)C[C@@H]1COC(C)(C)O1 851781345 UYHKFGHIOORNBO-CYBMUJFWSA-N 241.375 2.816 30 20 BFED C#Cc1cccnc1NCCSCC(C)C 853457089 GVXFLZFADLIFKM-UHFFFAOYSA-N 234.368 2.864 30 20 BFED Fc1ccc(CCON=CC2CC2)cc1F 853734384 CDNNRNKZWPNZSL-UHFFFAOYSA-N 225.238 2.920 30 20 BFED C=C(Cl)CS[C@@H](C)C(=O)NCC(C)C 853783361 RQFJRDJTTLQMFI-VIFPVBQESA-N 235.780 2.633 30 20 BFED C#C[C@H](CC)NC(=O)N(C)[C@H]1CCC[C@@H](C)C1 854071088 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N#Cc1sccc1C(=O)OCCCCCF 923566959 PIYPGYLDUFWSMQ-UHFFFAOYSA-N 241.287 2.916 30 20 BFED CCCCCCCCC(=O)N[C@@H]1COC[C@@H]1C 928891767 SMLFOBWNIMDYGK-QWHCGFSZSA-N 241.375 2.888 30 20 BFED CC(C)=CCNC(=O)Nc1sccc1C#N 931840297 GNUHQVAOBLDJLO-UHFFFAOYSA-N 235.312 2.707 30 20 BFED C=C(C)Cn1c([C@@H]2C[C@@H]2C)nnc1N1CCCC1 1122464683 QJTFUWADJZVHEL-NWDGAFQWSA-N 246.358 2.578 30 20 BFED CCN(Cc1cccn1C(F)F)C[C@@H](C)C#N 1180239355 IPQLKEKJLHYOBC-JTQLQIEISA-N 241.285 2.865 30 20 BFED C=C[C@@H](COC)N[C@H](C)c1csc(C)c1 1261276251 AUZQOBORLQPECO-PWSUYJOCSA-N 225.357 2.908 30 20 BFED C=CC(C)(C)Cc1nc(Cc2cscn2)no1 1262114066 KLGCCORTJHJUCW-UHFFFAOYSA-N 249.339 2.872 30 20 BFED C[C@@H](Nc1cccc(CC#N)n1)c1ccccn1 1320363150 ANEWDASBSYGEGQ-LLVKDONJSA-N 238.294 2.716 30 20 BFED N#Cc1csc(-c2nnc(C3CC3)o2)c1 1323862257 YOIVDVWLGFYPFA-UHFFFAOYSA-N 217.253 2.547 30 20 BFED C#C[C@@H](CCC)NC(=O)OCCC(C)C 1328827444 GYRBQUMVAJONOI-NSHDSACASA-N 211.305 2.561 30 20 BFED N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2F)cc1Cl 1337009721 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FXRSCJZEVNLVOK-GFCCVEGCSA-N 237.343 2.672 30 20 BFED C=CC[C@H](C(=O)O)N1CCC[C@@](C)(CCC)C1 1602835796 XCJULFMXNGPICG-TZMCWYRMSA-N 239.359 2.918 30 20 BFED CC(=NNCC(C)C)c1ccc(C(=O)O)cc1C 1776052691 IXLDYANUHDGMLP-UHFFFAOYSA-N 248.326 2.663 30 20 BFED COc1cccc(-c2nc(C)c(C)c(C#N)n2)c1 1898208449 ZZGVAJWUORYJLJ-UHFFFAOYSA-N 239.278 2.641 30 20 BFED CC(C)CN[C@H](C)c1ccc(C#N)cc1 19883026 IDYFLYICLJGIOB-LLVKDONJSA-N 202.301 2.865 30 20 BFED N#Cc1cccc(CNCc2ccccc2F)c1 19949786 WUCXVOQHCLIQHC-UHFFFAOYSA-N 240.281 2.987 30 20 BFED C=CCNC(=S)N(Cc1ccccc1)C(C)C 34367905 MQKXRWHDEZKQJH-UHFFFAOYSA-N 248.395 2.958 30 20 BFED CCCN(Cc1ccccc1C#N)C1CC1 37097304 KVZYXUFZNJXLSH-UHFFFAOYSA-N 214.312 2.933 30 20 BFED C=C(Br)CNc1ccc(C#N)cc1 37681090 UCVTVKYRIOFETM-UHFFFAOYSA-N 237.100 2.879 30 20 BFED CCN(Cc1ccccc1C)C[C@@H](C)C#N 42287675 IATCTQJGYPCWGJ-LBPRGKRZSA-N 216.328 2.977 30 20 BFED CCN(C[C@H](C)C#N)C(=O)c1cc(C)oc1C 42296793 QMGCURNVAIFYHO-SECBINFHSA-N 234.299 2.518 30 20 BFED N#CC1(C(=O)N2CCCCCC2)CCCCC1 44384980 ASSCKRTXNIXTGK-UHFFFAOYSA-N 234.343 2.863 30 20 BFED C=C(Br)CNC[C@@H]1CC=CCC1 45630256 DELPHMOUOMDJBV-SNVBAGLBSA-N 230.149 2.841 30 20 BFED Cc1cccc(C/N=C(/N)Nc2ccccc2)c1 48069744 OBWILHHPXYLHKL-UHFFFAOYSA-N 239.322 2.922 30 20 BFED Cc1cccc(OCCN(C)CCCC#N)c1 53421354 INROSFKHNMGGIW-UHFFFAOYSA-N 232.327 2.609 30 20 BFED CC[C@H](C(=O)N(C)[C@H](C)CC#N)c1ccccc1 63093981 UXUGUPPRWKFZLW-OCCSQVGLSA-N 244.338 2.941 30 20 BFED CC(C)[C@H](C)CC(=O)NCc1cccc(C#N)c1 67799898 WKCGTMNFWWMACS-GFCCVEGCSA-N 244.338 2.857 30 20 BFED C=CCCO[C@@H](C)C(=O)Nc1ccccc1 69311257 FLSKAAAHEZWFDK-NSHDSACASA-N 219.284 2.606 30 20 BFED C[C@H](C#N)Sc1nc2cc(F)c(F)cc2[nH]1 73756933 YUXIXFPVIPJRTH-RXMQYKEDSA-N 239.250 2.845 30 20 BFED C=CCN(C)C[C@H]1CCN(Cc2ccccc2)C1 76109798 KTUJCJGQPHNASZ-MRXNPFEDSA-N 244.382 2.626 30 20 BFED C=CCCOc1cc(C(=O)N(C)C)ccc1C 77238929 FEPIRPXLIFAAQO-UHFFFAOYSA-N 233.311 2.652 30 20 BFED CCCC[C@@H](CC)C(=O)N1CCC[C@H](C#N)C1 79825400 NXZXJOWHKFRUGS-CHWSQXEVSA-N 236.359 2.965 30 20 BFED C=CCNC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 80635577 IQIBAXMYGPBJKL-YPMHNXCESA-N 230.311 2.575 30 20 BFED N#C[C@@H](NC(=O)C=C1CCC1)C1CCCCC1 87484358 QZWDGYVJNGWMTA-CYBMUJFWSA-N 232.327 2.685 30 20 BFED CC(C)(C#N)C(=O)Nc1cccc2ccncc12 94820527 PSCRSHOHEQPTLD-UHFFFAOYSA-N 239.278 2.723 30 20 BFED C=C[C@@H](N)c1ccc(OC(F)(F)F)c(F)c1 95643484 HBALIGWTTOQVKU-MRVPVSSYSA-N 235.180 2.910 30 20 BFED C=CC1CCN([C@H](C)c2nc(CC)no2)CC1 111257019 AOKWKDNKGCACLA-SNVBAGLBSA-N 235.331 2.591 30 20 BFED Cc1noc(C)c1CNc1ccc(C#N)cc1F 112012488 VPNUJQLQVPVABE-UHFFFAOYSA-N 245.257 2.914 30 20 BFED CCCCCCCCCn1cc(N)nn1 118186857 BCONVJXWNYEQQY-UHFFFAOYSA-N 210.325 2.611 30 20 BFED C=CCOc1ccccc1CN[C@@H]1CCO[C@H]1C 121116008 ZDBDVXVBSOGTFZ-GXTWGEPZSA-N 247.338 2.518 30 20 BFED C=CCOC(=O)CCC(=O)c1cc(C)ccc1C 121611462 IWEKCPROTKFHDC-UHFFFAOYSA-N 246.306 2.996 30 20 BFED CC[C@H](C)COC(=O)c1cccc(C#N)c1 123731765 HAXBAQQYZPOAQQ-JTQLQIEISA-N 217.268 2.761 30 20 BFED C=CCCOCCNC[C@H]1CCC[C@@H](C)C1 124449834 NMGRHZPZGQRPGS-KGLIPLIRSA-N 225.376 2.995 30 20 BFED CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(C#N)cc1 124562815 JIFTZBWSFLUFHC-FZMZJTMJSA-N 242.322 2.961 30 20 BFED C#CCSCCN[C@@H](C)c1ccccc1F 130007535 PYVPXPJVNWSFLL-NSHDSACASA-N 237.343 2.843 30 20 BFED C#CCSCCN[C@@H](C)Cc1cccs1 130018526 BOYZGLFJPYYPJE-NSHDSACASA-N 239.409 2.635 30 20 BFED CCCN(CC#N)Cc1ccc(N(C)C)c(F)c1 130809339 DRINFGQEEDKGOB-UHFFFAOYSA-N 249.333 2.627 30 20 BFED Cc1cc(OC[C@@H]2CCCCO2)ccc1C#N 133491989 AOMKTHCEDGRCBB-AWEZNQCLSA-N 231.295 2.815 30 20 BFED C=C[C@](C)(CC)C(=O)NCc1ccccc1 134849791 BXSYSVDYTOWYLV-CQSZACIVSA-N 217.312 2.905 30 20 BFED CC[C@](C)(C#N)C(=O)NCc1ccc(C)s1 136234069 TWRNWZMNVVCXOE-GFCCVEGCSA-N 236.340 2.613 30 20 BFED CCc1nc2c(s1)[C@@H](N(C)CCC#N)CCC2 152535055 CRVHPLSQXZTJKH-NSHDSACASA-N 249.383 2.928 30 20 BFED CC(C)(C)c1nn(CC2CC2)c(O)c1CCC#N 153458074 YKUQUIRXECLYED-UHFFFAOYSA-N 247.342 2.752 30 20 BFED C=C[C@@H](C)NC(=O)CCCOc1ccc(C)cc1 154005795 VUFHGTQLWQGUFI-CYBMUJFWSA-N 247.338 2.845 30 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246.701 2.884 30 20 BFED C#CCCCCCC(=O)O[C@H]1CC[C@@H](OC)C1 800038327 WZRBCWPNSCKIDZ-OLZOCXBDSA-N 238.327 2.681 30 20 BFED C[C@H](C#N)OCCN[C@H]1CCC(C)(C)C[C@H]1C 801943534 YFUTWNWKTKMKCP-UPJWGTAASA-N 238.375 2.719 30 20 BFED C=C(C)CCOC(=O)[C@H](C)c1c(C)n[nH]c1C 803444122 NACLQEFHFVHDKG-SECBINFHSA-N 236.315 2.639 30 20 BFED C#CCCCN1CCC[C@H]1c1cccnc1 805747913 JGKQBUXLGFCOKL-AWEZNQCLSA-N 214.312 2.632 30 20 BFED C#C[C@H](NC(=O)C[C@@H]1CC[C@@H](C)C1)C(C)(C)C 807879704 HXTZUCWHNXHFGF-UPJWGTAASA-N 235.371 2.977 30 20 BFED C#C[C@@H](CC)NCc1ncccc1C(F)(F)F 809685941 AWTODGVSTGWLKQ-VIFPVBQESA-N 242.244 2.602 30 20 BFED C=CCCCCOC(=O)CC[C@H]1CCOC1 811010594 CSDNEBUBUSJURP-LBPRGKRZSA-N 226.316 2.703 30 20 BFED CCOc1ccc(N(C)C(=O)CCCC#N)cc1 813016377 SXAUSYWIVMNTFM-UHFFFAOYSA-N 246.310 2.742 30 20 BFED COC[C@@H](C)NN=C1CS[C@@H](C(C)(C)C)C1 814895303 JSRAMZCGIXPYLY-MWLCHTKSSA-N 244.404 2.519 30 20 BFED Cc1cc(Cl)cc(C=NNC2CC2)c1 814903162 VLGUNGIDCDPZRJ-UHFFFAOYSA-N 208.692 2.734 30 20 BFED 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234.324 2.570 30 20 BFED C#CC(C)(C)NC(=O)[C@@H](CCCC)C(C)C 857586816 SGBUMTHQSUJFHH-LBPRGKRZSA-N 223.360 2.977 30 20 BFED C#CCCCN[C@@H](c1ccc(OC)nc1)C1CC1 860207235 GCDKPEDFPCLQHI-OAHLLOKOSA-N 244.338 2.544 30 20 BFED C#CC[C@H](CCOC)N[C@@H]1CCC[C@H](C)C1 862547717 NAMSOZDRUSGJJP-BFHYXJOUSA-N 223.360 2.583 30 20 BFED C#CC[C@H](CCOC)N[C@@H](C)CC(C)(C)C 862549008 SIHUDMUOOCNOON-QWHCGFSZSA-N 225.376 2.829 30 20 BFED Cc1cc(C)c(C=NN2CCC2)cc1C 872396032 OQYKQSCXSKZFBE-UHFFFAOYSA-N 202.301 2.651 30 20 BFED C=CC(C)(C)CC(=O)Nc1ccc2nccn2c1 878823506 YFVALKMQXIOJEN-UHFFFAOYSA-N 243.310 2.875 30 20 BFED C=C[C@H]1CCCCN1Cc1cnn(C)c1C1CC1 894089613 GQYMBVNHRHUGGL-AWEZNQCLSA-N 245.370 2.838 30 20 BFED C=C1CN(C(=O)c2ccc(CCC)s2)C1 898706233 MAQXJPKQOKCTMJ-UHFFFAOYSA-N 221.325 2.713 30 20 BFED CCn1cc(/C=C/C(=O)c2cscn2)c(C)n1 899365896 FHFLFGFWYDLBRF-SNAWJCMRSA-N 247.323 2.564 30 20 BFED C#Cc1ccc(C(=O)N(C(C)C)C2CC2)cc1 900553289 ORJGRYDCGXMMJA-UHFFFAOYSA-N 227.307 2.681 30 20 BFED 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30 20 BFED C=CCN(CCC)Cc1cc(C(=O)O)cs1 711405690 CPGHHMKWUDNNFM-UHFFFAOYSA-N 239.340 2.844 30 20 BFED N#Cc1cc(F)c(N2CC[C@H](CF)C2)c(F)c1 711410951 XYSZYADTPNKCJN-MRVPVSSYSA-N 240.228 2.632 30 20 BFED N#Cc1cccc(CNC[C@H]2C=CCC2)c1 711681752 XNPSYHMWVNDLIQ-LBPRGKRZSA-N 212.296 2.614 30 20 BFED CC(C)C[C@@H](C)OC(=O)c1ccc(C#N)cn1 730922427 CINORMSUJQTABD-SNVBAGLBSA-N 232.283 2.545 30 20 BFED C=CC[C@@H](NC(=O)N1CC[C@@H]1C)c1ccncc1 734681360 ZXDHOUFDHQLHOR-WCQYABFASA-N 245.326 2.503 30 20 BFED Oc1ccccc1C=NNc1ccc(Cl)nc1 743450695 XPYWMFFGLBEKFM-UHFFFAOYSA-N 247.685 2.887 30 20 BFED C#CCN(CC(C)C)c1ccc(C#N)cc1 746138684 DMZCYYLMWLDEPK-UHFFFAOYSA-N 212.296 2.654 30 20 BFED C[C@@H](C#N)OC(=O)Cc1coc2cc(F)ccc12 748228232 LGPRMUKUDUOVGG-QMMMGPOBSA-N 247.225 2.570 30 20 BFED C#CC(=O)N1CCC[C@@H]1CCC1CCCC1 754079858 OICUXCAGZUMPCE-CYBMUJFWSA-N 219.328 2.581 30 20 BFED CON=Cc1cccn1Cc1cccs1 755633865 HLEMNDUTXSTSLU-UHFFFAOYSA-N 220.297 2.578 30 20 BFED C[C@H]1C[C@H]1C=NNc1ncnc2sccc12 758370477 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HAZPYVHPGCKKTG-JTQLQIEISA-N 246.358 2.712 30 20 BFED CCCON=C(C)c1cc(C(=O)O)cs1 842551545 SCVVJTGSYKBLHF-UHFFFAOYSA-N 227.285 2.597 30 20 BFED C#CCCCC(=O)OCc1ccncc1Cl 842856694 YEFJFCSPSMEKMX-UHFFFAOYSA-N 237.686 2.582 30 20 BFED C#C[C@@H](NC(=O)[C@H](C)C(C)C)c1ccccc1 843637315 ATIBSLJLRHEXGR-TZMCWYRMSA-N 229.323 2.769 30 20 BFED C=C[C@H](C)ON=Cc1c(CC)nn(C)c1Cl 844621688 LCZQJFGHXFQJPZ-QMMMGPOBSA-N 241.722 2.561 30 20 BFED C=C[C@H](C)ON=C(C)c1cnn(C(C)C)c1 844625280 QOUOGLXROYHCNI-JTQLQIEISA-N 221.304 2.779 30 20 BFED C=C[C@@H](C)ONC(=O)N1CCC[C@H](CCC)C1 845628320 BPZMAQUXBVFGGI-NEPJUHHUSA-N 240.347 2.714 30 20 BFED C=C(Cl)CNc1cc2c(cc1C)OCO2 849315688 DFNFBTKKZUTWKM-UHFFFAOYSA-N 225.675 2.888 30 20 BFED C#C[C@@](C)(CC)NCc1ncc(C(C)C)o1 852102050 KDLJIKJBMGAZEQ-ZDUSSCGKSA-N 220.316 2.690 30 20 BFED CCN(CC[C@@H]1CC1(Cl)Cl)[C@H](C)C#N 852645814 LQMVHAJKIOYOAJ-RKDXNWHRSA-N 235.158 2.804 30 20 BFED C#C[C@H](OC(=O)Cc1cc(C)cc(C)c1)C1CC1 853112495 CWSBMTFARWJRJK-HNNXBMFYSA-N 242.318 2.801 30 20 BFED CC(=NOCC1CCC1)c1cnc(C)s1 853439715 PHTXMPCWCOINII-UHFFFAOYSA-N 224.329 2.992 30 20 BFED C#C[C@](C)(CC)NC(=O)[C@@H](C)[C@@H](C)CC 854700286 RAXSDCRJTYCEBX-GMXVVIOVSA-N 209.333 2.587 30 20 BFED C=CCC(F)(F)C(=O)OCc1ccnc(C)c1 856937742 WGAFRHSNBHYAJE-UHFFFAOYSA-N 241.237 2.645 30 20 BFED C=C(C)CCOC(=O)c1nn(C)c2ccccc12 860129776 ATJUFXXZIQDOAE-UHFFFAOYSA-N 244.294 2.696 30 20 BFED CC(C)CCCCOC(=O)CSCC#N 860894490 WZAWDWQCGMCMQY-UHFFFAOYSA-N 229.345 2.613 30 20 BFED CCC[C@H](C)C(CC)=NNCC(C)(C)O 863137745 KEPCIWBYXLVTBV-JTQLQIEISA-N 214.353 2.549 30 20 BFED CCCCC[C@H](CC)C(=O)Nc1n[nH]cc1C#N 868912089 UNGIMRUUNGMCNH-JTQLQIEISA-N 248.330 2.826 30 20 BFED C[C@H](COC(=O)C(C)(C)C#N)C(C)(C)C 869355077 UVNUYVRJDKUQQF-SECBINFHSA-N 211.305 2.762 30 20 BFED C=CC(C)(C)CC(=O)Nc1cc(OC)ccc1O 879149576 ONPWPICUAWXDPZ-UHFFFAOYSA-N 249.310 2.942 30 20 BFED C=C(C)CCN1CCN(c2ccncc2)C[C@@H]1C 887134943 SUROYJWFEONIHZ-AWEZNQCLSA-N 245.370 2.558 30 20 BFED C=C1CCC(C(=O)NCc2c(C)noc2C)CC1 888432236 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2.862 30 20 BFED C[C@H](NCC1(C#N)CC1)[C@H]1C[C@H]2C=C[C@H]1CC2 926873235 DIXZPGSUFBLZRQ-XDQVBPFNSA-N 230.355 2.871 30 20 BFED Cc1ccc(C#N)cc1C(=O)NC[C@H](C)C1CC1 930644779 FUFHZMXZMSPLFS-NSHDSACASA-N 242.322 2.643 30 20 BFED C[C@@H](C#N)OCCNC1(C2CCCCC2)CC1 934790212 UIAUPPVWWSJLBG-LBPRGKRZSA-N 236.359 2.618 30 20 BFED C#C[C@H](CC)NC(=O)c1cc2c(C)cccc2o1 935631522 XALFXKCOMBPUNO-LLVKDONJSA-N 241.290 2.883 30 20 BFED C[C@H]1CCCC(=NNCC2CCOCC2)C1 1251898626 CLOIRDUNJTYMAE-NSHDSACASA-N 224.348 2.569 30 20 BFED CC(C)=CCCNC(=O)CC#Cc1ccccc1 1255747510 SMAYRAVZEDBDFT-UHFFFAOYSA-N 241.334 2.901 30 20 BFED N#CCc1cccc(NCCCc2ccco2)n1 1261659830 YBEVCAIOMPQFPS-UHFFFAOYSA-N 241.294 2.785 30 20 BFED C=CC[C@@H](C)NC(=O)[C@H](C)OC1CCCCC1 1318643008 DFYKQIDDXAUQND-NEPJUHHUSA-N 239.359 2.805 30 20 BFED C=C1CCN(C(=O)C2(C(C)(F)F)CC2)CC1 1330816812 CWJBOCXYELBBIW-UHFFFAOYSA-N 229.270 2.600 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1ncccc1C 1334077117 REGJRXNQUCIUHV-NSHDSACASA-N 218.300 2.931 30 20 BFED 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30 20 BFED Cc1cc(C)cc(OCCN(C)C[C@H](C)C#N)c1 72879190 IVYDHSYEUMSEHW-CQSZACIVSA-N 246.354 2.774 30 20 BFED C[C@H]1CCCN1[C@@H](C#N)c1ccccc1 75601709 VTUOHTGLBODPSV-AAEUAGOBSA-N 200.285 2.736 30 20 BFED Cc1c(C#N)c(SCCF)nc2c1CCC2 78948820 ODEQZCDLXBFYKX-UHFFFAOYSA-N 236.315 2.812 30 20 BFED N#CCCCC[S@@](=O)c1ccccc1F 82600020 RROVRGMPDGODAB-HNNXBMFYSA-N 225.288 2.627 30 20 BFED COCCCCOc1ccc(C#N)cc1C 89737373 JJUQAQYPNZVCCL-UHFFFAOYSA-N 219.284 2.672 30 20 BFED C#CCCCCN[C@@H](C)c1cnc(C)s1 90399449 HWEOEAWSZPZNOB-JTQLQIEISA-N 222.357 2.906 30 20 BFED CN(CCc1cccs1)CC1(CC#N)CC1 93268140 IQMRPQZNPGNYPG-UHFFFAOYSA-N 234.368 2.916 30 20 BFED CC[C@H](C)OC(=O)c1cccc(C#N)c1 103668111 XHLSIHCVKUOEQQ-VIFPVBQESA-N 203.241 2.514 30 20 BFED C=CCSCCNCc1cccc(F)c1 105462562 ZZXFSOZZKJLMGA-UHFFFAOYSA-N 225.332 2.835 30 20 BFED CCCCCCCCCNS(=O)(=O)CC 108782528 USZNGUQFNLKROY-UHFFFAOYSA-N 235.393 2.676 30 20 BFED C#CCCCOC(=O)CO[C@@H]1CCCC[C@@H]1C 113655006 JDHCLZLGFPQLLK-QWHCGFSZSA-N 238.327 2.538 30 20 BFED 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30 20 BFED N#CC12CCC(CC1)N2Cc1ccccc1 57218780 LYWOJXJUFXNXDD-UHFFFAOYSA-N 212.296 2.707 30 20 BFED N#CCCCOC(=O)/C=C/c1ccccc1 58817444 PHTBSZSQADNBLL-CMDGGOBGSA-N 215.252 2.547 30 20 BFED Cc1cccc(C)c1OCCN[C@H](C)CC#N 68611944 LWGDPOMYHJUOGJ-CYBMUJFWSA-N 232.327 2.574 30 20 BFED C[C@@H]1CCN(CC#N)c2ccccc2S1 71807767 RDZYOZNYFKQCGR-SNVBAGLBSA-N 218.325 2.901 30 20 BFED Cc1cc(C)cc(OCCN(C)C[C@@H](C)C#N)c1 72879189 IVYDHSYEUMSEHW-AWEZNQCLSA-N 246.354 2.774 30 20 BFED C=CCn1cnnc1S[C@H](C)c1cccnc1 75322121 NOSQKTFQTWONJL-SNVBAGLBSA-N 246.339 2.712 30 20 BFED CC[C@](C)(O)CNc1ccc(C#N)c(Cl)c1 82687858 IKJHYANNAPUGCA-LBPRGKRZSA-N 238.718 2.785 30 20 BFED Cc1ccc(C#N)c(N[C@@H]2CC=CCC2)n1 84067916 YEIAPAAXXAICPT-GFCCVEGCSA-N 213.284 2.782 30 20 BFED CS[C@@H]1CCCCN(c2cnccc2C#N)C1 91744966 BFWKSCLDKSBQQH-GFCCVEGCSA-N 247.367 2.675 30 20 BFED CCc1nn(C)cc1/C=C/C(=O)c1ccccc1 92198007 RDSZUHUQSKXXRB-MDZDMXLPSA-N 240.306 2.879 30 20 BFED N#Cc1cccc(Cn2cc(-n3cccc3)cn2)c1 92315989 MXAVBCJNDUGUDV-UHFFFAOYSA-N 248.289 2.594 30 20 BFED CC(C)CN(CCC#N)Cc1cccc(O)c1 94680049 USWDCESAMDBGMA-UHFFFAOYSA-N 232.327 2.764 30 20 BFED CCC/C(N)=N/OCc1cccc(Cl)c1 105605284 LBQOMOHXVHTMTD-UHFFFAOYSA-N 226.707 2.929 30 20 BFED CN(Cc1cccnc1)c1cccc(F)c1C#N 105791061 BIBVWPUVSWPMSO-UHFFFAOYSA-N 241.269 2.729 30 20 BFED Cc1nc2c(s1)[C@H](N(C)CCC#N)CCC2 111313283 GUCLVQUTZXLUAN-LLVKDONJSA-N 235.356 2.674 30 20 BFED C=CC[C@H](C)NC(=O)c1c(C)oc(C)c1C 116854174 CSHKDFGEICVQLR-QMMMGPOBSA-N 221.300 2.899 30 20 BFED C#CCCCCC(=O)N[C@H]1CC[C@@H](SC)C1 119922619 QRIFAWJENMKCCX-NWDGAFQWSA-N 239.384 2.580 30 20 BFED C#CCCCCC(=O)N1CCC[C@@H](C)[C@H]1C 120203727 UNUUZSIQLMCYQX-CHWSQXEVSA-N 221.344 2.827 30 20 BFED C[C@]1(c2ccccc2)CN(CCCC#N)CCO1 121180052 COLIJRIRTBFWCO-OAHLLOKOSA-N 244.338 2.538 30 20 BFED CCCCCOC(=O)c1sccc1C#N 128997895 GGTWBRQSZBGVKN-UHFFFAOYSA-N 223.297 2.967 30 20 BFED C[C@@H](CC#N)NCc1ccc(Cl)c(F)c1 134971137 DORGIHFVHYTQSP-QMMMGPOBSA-N 226.682 2.871 30 20 BFED N#Cc1ccc(CN[C@@H]2CC=CCC2)s1 135501291 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220.360 2.950 30 20 BFED C=CCC[C@@H](CO)N[C@H](C)c1cc(C)oc1C 321042690 SXEZWUMVVYDVDL-YPMHNXCESA-N 237.343 2.874 30 20 BFED C=CCC[C@H](CO)NC/C=C\c1ccccc1 321462478 PDNXGTZYYYLTMU-YYRKOSNBSA-N 231.339 2.617 30 20 BFED C[C@@H]1CC[C@@H](C(O)=Nc2ccc3nn[nH]c3c2)C1 329227406 ICWSSJWOYDXSGD-RKDXNWHRSA-N 244.298 2.982 30 20 BFED OC1=N[C@H](C/C(O)=N/C2(C(F)F)CC2)CCC1 329556348 KTXOMNFUDXTLOP-ZETCQYMHSA-N 246.257 2.640 30 20 BFED N#Cc1cc2c(nc1N[C@H]1CC[C@@H](F)C1)CCC2 334201217 OTFYOLCQILDMPR-NEPJUHHUSA-N 245.301 2.744 30 20 BFED C=C(C)C(C)(C)C(=O)N1C[C@@H](C)O[C@H](CC)C1 335093549 DHJKMWNSEZKCDZ-VXGBXAGGSA-N 239.359 2.615 30 20 BFED C=C(C)CNC(=O)Nc1cc(C)c2c[nH]nc2c1 335711382 KRPINJSSQOWYRR-UHFFFAOYSA-N 244.298 2.569 30 20 BFED Cc1oc(C#N)cc1C(=O)NC[C@H]1CC[C@H](C)C1 335852693 BWHNGHCILMWQPU-ONGXEEELSA-N 246.310 2.626 30 20 BFED Cc1cc(CN[C@]2(C)CCCOC2)ccc1C#N 336174632 NVQBKWKQUPUYDZ-OAHLLOKOSA-N 244.338 2.525 30 20 BFED CCC1CCN(C(=O)c2ccc(C#N)s2)CC1 336206305 RESFRBQZBWUMOS-UHFFFAOYSA-N 248.351 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30 20 BFED C=CC[C@@H]1CCCC[C@@H]1NCCc1cnccn1 657938181 MFUVJRQDITUBBT-HIFRSBDPSA-N 245.370 2.744 30 20 BFED C=CC[C@@H]1CCCC[C@H]1NCC(F)F 661116452 YDVXTIKSGXDPKI-NXEZZACHSA-N 203.276 2.976 30 20 BFED C=CCCNC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 661570571 HKFXFHMZPOQDPM-RWMBFGLXSA-N 236.359 2.831 30 20 BFED C=C(C)[C@@H](CO)N1CC(C)(C)c2ccccc21 678048994 AIJFHELJSHEOMP-CQSZACIVSA-N 231.339 2.721 30 20 BFED C=CC[C@H](CC)NC(=O)CN(C)c1ccccc1 684939993 ZMTJWTZXVSIHKA-ZDUSSCGKSA-N 246.354 2.594 30 20 BFED N#Cc1cc2c(nc1N[C@H]1C=CCC1)CCCC2 700543498 MBPNKWSOSMLJNM-ZDUSSCGKSA-N 239.322 2.963 30 20 BFED C#CC1CCN(C(=O)c2cc(C)ccc2C)CC1 709608311 UFPZXAKQQVTCDH-UHFFFAOYSA-N 241.334 2.789 30 20 BFED COCC(C)=NNc1ccc(OC(F)F)cc1 726426583 AMGFKMYEDHADBW-UHFFFAOYSA-N 244.241 2.722 30 20 BFED Clc1ccccc1NN=Cc1ncc[nH]1 731149365 WWIBNQZTIFRMJA-UHFFFAOYSA-N 220.663 2.509 30 20 BFED Cn1ccnc1C(=O)/C=C\c1cc(F)ccc1F 735793439 ZBMPIAKDURGKDK-DJWKRKHSSA-N 248.232 2.594 30 20 BFED CC[C@@H](C)OC(=O)C1(C#N)CCCCC1 738631432 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30 20 BFED CCCCC[C@H](C)CC(=O)NCCC#N 787619004 MGCFICDEDJDWHV-NSHDSACASA-N 210.321 2.623 30 20 BFED C=CCN(CCOC)C(=O)C(C)=C1CCCC1 791351825 IUHZTXCXBRFVFZ-UHFFFAOYSA-N 237.343 2.538 30 20 BFED CC(C)n1cc(C=NNCC2(C)CCCC2)cn1 793084347 MMMNCZBMEPZNAZ-UHFFFAOYSA-N 248.374 2.968 30 20 BFED CN(CCC#N)C(=O)[C@H](F)CC1CCCCC1 793183876 SXNULOHVFHZFPQ-GFCCVEGCSA-N 240.322 2.667 30 20 BFED CC#CCOC(=O)c1ccc(C(F)(F)F)s1 797210527 IVZAABWDHIJTIV-UHFFFAOYSA-N 248.225 2.947 30 20 BFED C#CCCN1CCc2cc(F)cc(C)c2C1 800471121 OWBLSKZRVORODA-UHFFFAOYSA-N 217.287 2.516 30 20 BFED Cn1cnc(/C=C/C(=O)C2CCCCC2)c1 800792305 ABZUUKDYFOJDFH-BQYQJAHWSA-N 218.300 2.583 30 20 BFED COc1cccc(NN=C2CCC[C@H]3C[C@@H]23)n1 800815872 QVNVETKQMUGCML-VHSXEESVSA-N 231.299 2.678 30 20 BFED N#CCOC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 803746159 AYUFSXVSNZOEDF-GRYCIOLGSA-N 221.300 2.660 30 20 BFED C[C@H](C#N)OC(=O)c1ccc(C(F)(F)F)s1 803863434 NWZSTVGGKOWWCB-RXMQYKEDSA-N 249.213 2.836 30 20 BFED C#CC(=O)N1C[C@@H](C)CC[C@H]1c1ccccc1 804528800 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C=CCC(C)(C)C(=O)NC[C@@H]1CCO[C@@H](C)C1 345057375 UZRUUSMPXKFRTB-NWDGAFQWSA-N 239.359 2.520 30 20 BFED CCO[C@H]1C[C@@H](NCCCC#N)C12CCCC2 346839955 UAAYFKLHXQOUJH-OLZOCXBDSA-N 236.359 2.618 30 20 BFED C[C@H]1Cc2ccc(F)cc2[C@H]1NCCCC#N 346840814 VJIZLFDXTOZIHB-HZMBPMFUSA-N 232.302 2.952 30 20 BFED C=C(C)C[C@H](C)c1nc(-c2cncn2C)no1 347109795 ICTANXXWHXYNNT-VIFPVBQESA-N 232.287 2.540 30 20 BFED C=CCN[C@H]1CCC[C@@H]1OCc1ccccc1 348541805 YPTMJARHQQZXOU-GJZGRUSLSA-N 231.339 2.900 30 20 BFED CC(C)(CCC#N)CNC(=O)N[C@H]1CC=CCC1 353551887 LVCHQFOJXOQGAW-LBPRGKRZSA-N 249.358 2.724 30 20 BFED C=CCCC(=O)N[C@@H](CC)CC(F)(F)F 354916879 SZBRZHBCMSXOHP-QMMMGPOBSA-N 223.238 2.800 30 20 BFED CCN(CCC1CC1)C(=O)NCCCCC#N 355198854 QQWRREKUAKGILU-UHFFFAOYSA-N 237.347 2.512 30 20 BFED CC(C)CC[C@@H](NC(=O)CC#N)C(C)(C)C 357051747 IWFKKLLCZPPNLU-LLVKDONJSA-N 224.348 2.867 30 20 BFED CCN(CCC1CC1)c1cc(C#N)ccn1 357457362 VIPCLIAKFKCTPT-UHFFFAOYSA-N 215.300 2.580 30 20 BFED CCC1(CNC(=O)[C@H](C)C#N)CCCCC1 358198303 QKPYFMXPIORKPV-LLVKDONJSA-N 222.332 2.623 30 20 BFED C=C(CC)CN1CC[C@H](C)[C@H](n2ccnc2)C1 358639600 ZPCNMHSIGHYVQF-UONOGXRCSA-N 233.359 2.732 30 20 BFED CC(C)OC(=O)[C@H](C)c1cccc(C#N)c1 360863408 AQRNXHXCLFOCAQ-SNVBAGLBSA-N 217.268 2.613 30 20 BFED Cn1cc(CN2CC[C@H](C(C)(C)C)C2)cc1C#N 361585699 JIIHKSFRQURVNR-ZDUSSCGKSA-N 245.370 2.765 30 20 BFED C=CCCC(=O)N[C@H]1C[C@H](OC(C)C)C1(C)C 361654845 KXHNHUORCOEPRM-RYUDHWBXSA-N 239.359 2.661 30 20 BFED C=C[C@@H](C)NC(=O)Nc1cccc(CC)c1 362629818 CMEFLDZZSADUCV-SNVBAGLBSA-N 218.300 2.945 30 20 BFED C#CCN1CCC[C@@H]1c1ccc(F)c(F)c1 365231242 LJFAQXWYURSSIW-CYBMUJFWSA-N 221.250 2.735 30 20 BFED N#Cc1ncccc1N1CCC(C2CC2)CC1 366180169 BQILYGCFGHPDQT-UHFFFAOYSA-N 227.311 2.580 30 20 BFED N#CCCCCNC(=O)N1CC(C2CCCC2)C1 369130899 RJNUNEKZSYSQMC-UHFFFAOYSA-N 249.358 2.512 30 20 BFED Cc1cc(C)c(C#N)c(NCC(C)(F)F)n1 378723381 HIDWNAWONVGTEK-UHFFFAOYSA-N 225.242 2.637 30 20 BFED C=CCCN[C@@H](C)c1ccc(Cl)nc1 379656146 KWIBNGVCSSINBV-VIFPVBQESA-N 210.708 2.962 30 20 BFED N#C[C@H]1CCC[C@H](N[C@@H]2CCCC[C@H]2F)C1 382012815 NCRALIMHOFIXMG-WUHRBBMRSA-N 224.323 2.939 30 20 BFED CCc1ccc(NCCO[C@H](C)C#N)cc1C 383189888 RQFUSRAHPCOTSB-GFCCVEGCSA-N 232.327 2.898 30 20 BFED C[C@H](CN[C@H]1CCC[C@H](C#N)C1)C1CC1 389988865 NIOOTJJIRCCPAC-MDZLAQPJSA-N 206.333 2.704 30 20 BFED C=CC[C@H](CC)N[C@H]1COc2ccccc2C1 393738061 BUWJSOIHQWPKNX-UONOGXRCSA-N 231.339 2.934 30 20 BFED C=CCCC[C@@H](C)N=c1nnc(CC)c(CC)[nH]1 398022220 DVAOZKVNPDHVDC-LLVKDONJSA-N 248.374 2.575 30 20 BFED COc1cc(Cl)ccc1OCCC#N 398466914 NQORSNWVSTVGLU-UHFFFAOYSA-N 211.648 2.641 30 20 BFED C=CCCC[C@@H](C)Nc1cncc(C#N)n1 401227837 YRAFXOSXSDAYCI-SNVBAGLBSA-N 216.288 2.505 30 20 BFED CC[C@@H](CO)N(C)CCC1(C#N)CCCCC1 411770900 DLQMEYWLTHNLLZ-ZDUSSCGKSA-N 238.375 2.553 30 20 BFED Cc1nsc(N[C@@H]2C[C@H]2C(C)C)c1C#N 413438251 PEIDKIXSCPAQHO-WCBMZHEXSA-N 221.329 2.780 30 20 BFED N#Cc1ccc(=O)n(CCCC2CCCC2)c1 419020330 FMGFOHFXNVREEJ-UHFFFAOYSA-N 230.311 2.690 30 20 BFED C=CCC[C@@H](CCC)NC[C@@H](C)CNC 423282290 WKEFBFBYSUOBMO-QWHCGFSZSA-N 212.381 2.566 30 20 BFED C=C[C@H](C)NC(=O)[C@@H]1CCC[C@H]1CCC 450098069 SMOYSVNGIKGVRS-QJPTWQEYSA-N 209.333 2.894 30 20 BFED N#CC1(CN2CCOc3cc(F)ccc32)CCC1 450419243 NZLJAPIQALRCFX-UHFFFAOYSA-N 246.285 2.718 30 20 BFED C=C(C)CN(C)C(=O)CCCC(=O)C(C)(C)C 450470125 SVCRNMUWHFTJHI-UHFFFAOYSA-N 239.359 2.806 30 20 BFED CC(C)[C@@H]1C[C@H]1CNc1ncccc1C#N 450813320 RYJCIHLEKDYUID-RYUDHWBXSA-N 215.300 2.657 30 20 BFED C=C(C)CNC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 454842176 SYCXGRNWRMOHAE-NEPJUHHUSA-N 236.359 2.783 30 20 BFED C=C(CC)CNC(=O)CNc1c(C)cccc1C 456815356 XXNBWSCCMBFIRV-UHFFFAOYSA-N 246.354 2.798 30 20 BFED C[C@@H](C(=O)NCc1cccc(C#N)c1)C1CCC1 457424946 RFKZIJMWDOHPHT-LLVKDONJSA-N 242.322 2.611 30 20 BFED C=CCC(C)(C)CNCc1cc(C)on1 459582135 DDKZJHNZBYAXBG-UHFFFAOYSA-N 208.305 2.675 30 20 BFED C#C[C@@H](CC)NC(=O)[C@H](C)Cc1cccc(F)c1 491651265 FTRVEEKUYHIULA-RISCZKNCSA-N 247.313 2.532 30 20 BFED C#CCN(C)C(=O)Nc1cc(Cl)ccc1F 491712364 ZJCAOGCXBJQKEC-UHFFFAOYSA-N 240.665 2.576 30 20 BFED C#C[C@H](C)N(C)Cc1nc(C(F)(F)F)cs1 491728464 MOHWAGXVYLTGGT-ZETCQYMHSA-N 248.273 2.615 30 20 BFED CCC[C@H](C#N)NC(=O)c1cc2ccccc2[nH]1 523700584 VAJQPQMTTYTIQS-LLVKDONJSA-N 241.294 2.590 30 20 BFED CCC(C#N)(CC)C(=O)Nc1ccc(C)c(O)c1 528835587 RXDLOTDBIKHRRZ-UHFFFAOYSA-N 246.310 2.969 30 20 BFED CC#CCCNC(=O)C[C@@H]1CCCC[C@@H]1C 542674888 WZSIPRPVOAMGCG-STQMWFEESA-N 221.344 2.732 30 20 BFED CC(C)CSCCCN1CC(C)(C#N)C1 555907135 VPLMJSQHFBIMNL-UHFFFAOYSA-N 226.389 2.611 30 20 BFED CCC1(CC)CCN(C(=O)NCC2(C#N)CC2)C1 562394285 KTULQPXXYLRXJQ-UHFFFAOYSA-N 249.358 2.512 30 20 BFED C[C@@H](c1cccc(F)c1)N1CC(C)(C#N)C1 569329240 SOZJGEWHRGGKDI-JTQLQIEISA-N 218.275 2.732 30 20 BFED C=CC[C@@H](CC)N=c1[nH]c2cccc(F)c2n1C 572985419 YEKYWNAECNIIPI-SNVBAGLBSA-N 247.317 2.901 30 20 BFED CC[C@H](C)[C@H](C)NC(=O)Nc1cccc(C#N)n1 577951205 FCQSEILQRYVTLC-UWVGGRQHSA-N 246.314 2.509 30 20 BFED CC[C@@H](F)COc1ccc(C#N)cc1C 579311408 HKRAZWCSRGHMEK-LLVKDONJSA-N 207.248 2.994 30 20 BFED N#CC1(CNC(=O)[C@@H]2CC23CCCCC3)CCC1 580881723 PQPKJWAOYWRQQE-LBPRGKRZSA-N 246.354 2.767 30 20 BFED CC(C)(C)C#Cc1nccc(C(F)(F)F)n1 585143756 LCLIAZXELODKDG-UHFFFAOYSA-N 228.217 2.893 30 20 BFED Cc1ccc(Cl)c(NC(=O)N2CC(C#N)C2)c1 590123116 IDWGRQSMWLTZNI-UHFFFAOYSA-N 249.701 2.636 30 20 BFED Cc1cc(N(C)CCOC(C)(C)C)c(C#N)cn1 591821546 NRJLUUAZMUYFCO-UHFFFAOYSA-N 247.342 2.513 30 20 BFED C[C@H](C#N)N(Cc1csc(C2CC2)n1)C1CC1 595712088 FQBIVCBOJHGPJV-SECBINFHSA-N 247.367 2.897 30 20 BFED CCCC[C@H](C)C(=O)N(C1CC1)[C@@H](C)C#N 598135390 UOGXMKUCDNEKRB-QWRGUYRKSA-N 222.332 2.716 30 20 BFED C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)CC(C)(C)C#N 598589066 QJWYXCDFABBJED-UPJWGTAASA-N 238.375 2.550 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 599083179 JWEMRFHZFWSDGC-ABHRYQDASA-N 248.370 2.821 30 20 BFED N#CCC[C@H](C#N)CN1CCCC(F)(F)CC1 599551256 KBNNTGGBEQVRBX-LLVKDONJSA-N 241.285 2.551 30 20 BFED CC(C)CC(C)(C)C(=O)N1CC[C@@](F)(C#N)C1 615593400 CZSWQORPLPUZSE-CYBMUJFWSA-N 240.322 2.523 30 20 BFED C=CCCNC(=O)c1cccc(C2CC2)c1 617610968 GSVNMYCXRORRGO-UHFFFAOYSA-N 215.296 2.870 30 20 BFED CC1(C)CCCN(C(=O)[C@@H]2CC23CCC3)[C@@H]1C#N 617985991 LOOUQQLGXYXQFM-NWDGAFQWSA-N 246.354 2.717 30 20 BFED C=CCC1(NC(=O)c2ccncc2F)CCCC1 619107533 DHSXYXGCXQFINX-UHFFFAOYSA-N 248.301 2.839 30 20 BFED CCCC[C@H](C)C(=O)N[C@@H](C#N)CC(C)C 619704334 FJKBTIGXSLWYHM-NWDGAFQWSA-N 224.348 2.867 30 20 BFED C=CCCOCC(=O)N(CC)C1CCCCC1 620237077 IYQNHHWUNNQOMZ-UHFFFAOYSA-N 239.359 2.760 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@@H](CCC)CCO 631668300 WSXTXQDXJCVMKB-AVGNSLFASA-N 213.365 2.728 30 20 BFED C=CC[C@@H](CC)N[C@@H]1CCCn2ccnc21 655763070 KJKXXZPGXJDTII-VXGBXAGGSA-N 219.332 2.662 30 20 BFED C=CCCNC(=O)N1CCc2ccc(C)cc21 665945572 KIMBIEUUQNJTRO-UHFFFAOYSA-N 230.311 2.643 30 20 BFED O=C(NO)c1cccc2c3c([nH]c12)CCCCC3 671998608 RXQWCCPZCZLZQF-UHFFFAOYSA-N 244.294 2.556 30 20 BFED C#C[C@H](NC(=O)c1cccn1C(C)C)C(C)(C)C 702223152 GJVYZDFBTGNGKR-ZDUSSCGKSA-N 246.354 2.847 30 20 BFED CCCCCCCNC(=O)c1ccncc1F 703774789 JDXLDNJDHIVZKW-UHFFFAOYSA-N 238.306 2.921 30 20 BFED C[C@@H](CC(C)(C)C#N)NCCOC1CCCC1 709958545 ARTCINYSSXNKME-LBPRGKRZSA-N 238.375 2.864 30 20 BFED C[C@@H](C#N)CN(C)C(=O)C12CCC(CC1)CC2 710068864 APDPXUBBXYIALN-DCBWTQNWSA-N 234.343 2.575 30 20 BFED C=CCC1(O)CCN(CCCC2CCC2)CC1 717460840 ODRPAAGOWVQQMP-UHFFFAOYSA-N 237.387 2.970 30 20 BFED Cc1nc(C)c(COc2cccc(F)c2C#N)o1 723658369 LXXMIMPZQPDOPP-UHFFFAOYSA-N 246.241 2.881 30 20 BFED C#CCCOC(=O)[C@H]1CCCc2ccccc21 727041296 JOJYVPCFSYLMAI-AWEZNQCLSA-N 228.291 2.673 30 20 BFED C=CCCOC(=O)[C@H](SCC)C(C)C 729074142 DHWJLPVHJWRTLW-SNVBAGLBSA-N 216.346 2.883 30 20 BFED C=CCCOC(=O)c1ncoc1C(C)C 732498157 YPWLJPZVLJUNAI-UHFFFAOYSA-N 209.245 2.531 30 20 BFED Fc1ccccc1OCCON=C1CCC1 735490006 OZOYZFRVFYNRGA-UHFFFAOYSA-N 223.247 2.761 30 20 BFED CCCCCCCCN(C)[C@@H]1CCN(C)C1=O 740878591 NXHGDMXWXVEWMD-CYBMUJFWSA-N 240.391 2.509 30 20 BFED CC(C)CCc1noc(CON=C2CCC2)n1 746051911 VVFKQRUYTOOMPJ-UHFFFAOYSA-N 237.303 2.715 30 20 BFED CC(=NOCc1cccnc1)c1cccc(O)c1 746576667 LXPGQSSEXKELIZ-UHFFFAOYSA-N 242.278 2.728 30 20 BFED C[C@H]1OCCC1=NNc1nc2ccccc2s1 747737316 YJJGNZUCBBSAQR-MRVPVSSYSA-N 247.323 2.873 30 20 BFED C=CCCCC(=O)NCc1cc(C(C)C)no1 748313821 GOQVDNXQDOHMBQ-UHFFFAOYSA-N 236.315 2.771 30 20 BFED C#CCCCC(=O)N(C)Cc1cccs1 757839757 YKXBDKHLTBAWQN-UHFFFAOYSA-N 221.325 2.510 30 20 BFED CC(=NOCC(F)F)c1cc(F)ccc1F 758904966 XUCPZCXAUWHALQ-UHFFFAOYSA-N 235.180 2.971 30 20 BFED C=C(CC)COC(=O)/C=C\c1ccc(O)c(O)c1 759587751 DXUUUGPMUXNING-ALCCZGGFSA-N 248.278 2.620 30 20 BFED CCCNN=Cc1cc(F)cc2cccnc12 760243296 ONSZHUOMHJTULD-UHFFFAOYSA-N 231.274 2.707 30 20 BFED C(=NO[C@@H]1CCCCO1)[C@@H]1C[C@H]2CC[C@H]1C2 762435024 ZTHOZBPWIKIRBS-ZDEQEGDKSA-N 223.316 2.952 30 20 BFED CC#CCNC(=O)NCCCCCCCC 762599429 OZAADURYRVHBRZ-UHFFFAOYSA-N 224.348 2.669 30 20 BFED C[C@H]1C[C@@H]1C=NNCCc1ccccc1F 764720531 DFHGHVRSMOIMRF-CMPLNLGQSA-N 220.291 2.600 30 20 BFED Cc1ccc(C=Nn2cnc3ccccc32)cn1 764905974 UPLFJXYLJPBQDD-UHFFFAOYSA-N 236.278 2.622 30 20 BFED C[C@H]1CC(C)(C)CC1=NNc1ncccn1 766011826 SGCZAYZACMDVIK-VIFPVBQESA-N 218.304 2.701 30 20 BFED CSc1ccc(C=NNCC(F)(F)F)cc1 769825325 QOTSYUQFJVSQFV-UHFFFAOYSA-N 248.273 2.894 30 20 BFED C=CCCCc1nc(-c2ccc(C)nc2O)no1 771114445 DLXGONWWVHPWNT-UHFFFAOYSA-N 245.282 2.654 30 20 BFED CCOCCON=C1C[C@H](C)C[C@@H](C)C1 774437740 WMYMMOOSWIOULX-GHMZBOCLSA-N 213.321 2.852 30 20 BFED O=c1ccccn1N=C/C=C/c1ccc(F)cc1 776791137 GKCZRHTYBMCZCI-QPDYZWTMSA-N 242.253 2.535 30 20 BFED CC#CCOC(=O)c1c[nH]c2ccc(C)cc12 780245689 BNKLLBKBRKDOCD-UHFFFAOYSA-N 227.263 2.656 30 20 BFED CCON=Cc1ccc(OCC)c(F)c1 782185538 FPZNLJVHAQOKHL-UHFFFAOYSA-N 211.236 2.595 30 20 BFED N#Cc1ccc(NN=C[C@H]2CCSC2)cc1 782198715 GFYKKANHZBPTAN-LLVKDONJSA-N 231.324 2.709 30 20 BFED CC(C)(C#N)CCOC(=O)[C@@H]1CCCCS1 783232781 MLJQAFZSQULMFG-JTQLQIEISA-N 241.356 2.755 30 20 BFED N#CCC1(COC(=O)[C@@H]2CCCCS2)CC1 783389877 IIBMVSRKRXBIOG-JTQLQIEISA-N 239.340 2.509 30 20 BFED CCON=Cc1ccc2nc(C)ccc2c1 783515042 VOYIYCNMLHIANP-UHFFFAOYSA-N 214.268 2.914 30 20 BFED C[C@H]1CCC(=NNc2ncc(F)cn2)[C@@H](C)C1 783861709 GDQALZZTNWMOIH-IUCAKERBSA-N 236.294 2.840 30 20 BFED C=C(CC)COC(=O)c1cccc2[nH]ncc12 785592550 OIJPADIILRLRNQ-UHFFFAOYSA-N 230.267 2.686 30 20 BFED CC/C(=C\C(=O)NCCC#N)c1ccc(C)cc1 787620765 DZCGFLALYWBUED-ACCUITESSA-N 242.322 2.818 30 20 BFED C#CCCCCNC(=O)NC[C@H]1CC[C@@H](C)C1 792998367 UPWYRPGZTNVCQM-OLZOCXBDSA-N 236.359 2.525 30 20 BFED C=CCOC(=O)C(C1CCC1)C1CCC1 796839174 NBSYJHYDNLXGFE-UHFFFAOYSA-N 208.301 2.932 30 20 BFED CCc1cc(C#N)ccc1OC(=O)[C@@H]1C[C@H]1C 799441300 UDPHJMXSEGIZAM-BXKDBHETSA-N 229.279 2.682 30 20 BFED CC1(C)CC(C(=O)N2CCC[C@@](C)(C#N)C2)C1 803100349 HQCSIXZOJQFPFG-AWEZNQCLSA-N 234.343 2.575 30 20 BFED C#C[C@@H](C)NC(=O)CCCCC(C)(C)C 804567794 SADRTJNTDNRAAX-LLVKDONJSA-N 209.333 2.731 30 20 BFED C#C[C@@H](NC(=O)NCC1(C2CC2)CC1)C(C)(C)C 808286448 VCOCSZCIWFJXQL-GFCCVEGCSA-N 248.370 2.524 30 20 BFED C#Cc1ccc(CN2CCSCC[C@@H]2C)cc1 809651956 DTOQEENGBVIJHN-ZDUSSCGKSA-N 245.391 2.995 30 20 BFED CN(CC[C@H](O)c1ccccc1)CC(C)(C)C#N 814669355 KYBBEVYVSOREDU-AWEZNQCLSA-N 246.354 2.592 30 20 BFED c1cnc(NN=C2CCCc3sccc32)nc1 814798099 ZJKODOZVVZXXDN-UHFFFAOYSA-N 244.323 2.691 30 20 BFED CC(Cn1cccn1)=NNc1cccc(F)c1 814815492 ZYJLYKAAAFWYLL-UHFFFAOYSA-N 232.262 2.510 30 20 BFED O=[N+]([O-])c1cccnc1NN=C1CC[C@H]1C1CC1 814869731 UEEWARYJXFRGFP-VIFPVBQESA-N 246.270 2.578 30 20 BFED CSCCCC=NOCCOC(C)C 814937066 TWVSIILKBMVHSS-UHFFFAOYSA-N 219.350 2.557 30 20 BFED C=C[C@](C)(CC)C(=O)NOC[C@H](C)CC 816978493 VJUABLDJWQXGIK-ZYHUDNBSSA-N 213.321 2.683 30 20 BFED CC(=NN[C@@H]1CCC[C@H]1O)[C@H]1CCCC[C@@H]1C 817338180 CTAKBOLICUGCHX-SCUASFONSA-N 238.375 2.692 30 20 BFED CC#CCN(C)C(=O)C=C(CCC)CCC 819246116 ZICRXHCEJFHZIN-UHFFFAOYSA-N 221.344 2.995 30 20 BFED CC(C)c1ccccc1CNCCC#N 819254274 VPEPOQRHYGKJEY-UHFFFAOYSA-N 202.301 2.813 30 20 BFED C#C[C@H](CC)NC(=O)N(C1CC1)[C@H](C)C(C)C 821567795 XJYIDPLEDAAYAK-VXGBXAGGSA-N 236.359 2.617 30 20 BFED C#CCN1CCC[C@H]1c1ccc(F)cc1C 832524668 QBVJTKIVHNVOCS-AWEZNQCLSA-N 217.287 2.904 30 20 BFED CCC[C@@H](C=NNc1cccc(Cl)n1)OC 834981639 VEMHNJGBWZAHJT-VIFPVBQESA-N 241.722 2.948 30 20 BFED CO[C@@](C)(C=NNCc1ccc(C)cc1)C1CC1 835007862 AOLBPOBJUBMUPN-HNNXBMFYSA-N 246.354 2.886 30 20 BFED C[C@H](CC#N)OC(=O)C(C)(C)C1CCC1 835158100 AHHXICOSMQHWIZ-SECBINFHSA-N 209.289 2.658 30 20 BFED CC[C@@H](OC(=O)CCCC#N)C(F)(F)F 835659417 XELYKKYWHSBYSZ-SSDOTTSWSA-N 223.194 2.564 30 20 BFED C=CCC1(CNC(=O)C(C)(F)F)CCCC1 836237447 FGIRTKAORWAXRQ-UHFFFAOYSA-N 231.286 2.894 30 20 BFED C#CCCNC(=O)NC[C@H]1CCCC[C@H]1CC 836301269 JWRQKAAZXPLFLL-CHWSQXEVSA-N 236.359 2.525 30 20 BFED C[C@H](C(=O)Nc1cc(C#N)ccc1O)C1CCC1 837498318 UAQNWQJHDBMVNF-VIFPVBQESA-N 244.294 2.639 30 20 BFED C[C@H](C#N)OC(=O)c1cccc2c1CCCC2 837835484 RYDNLVLPVVAPLN-SNVBAGLBSA-N 229.279 2.634 30 20 BFED CC(C)(C)C#CC(=O)OCc1ncc(C2CC2)o1 838372759 NEKHWFFNGANIAP-UHFFFAOYSA-N 247.294 2.645 30 20 BFED N#C[C@H]1CCC[C@H](OC(=O)CCn2cccc2)C1 839447700 DRXKXSZGASYLMP-STQMWFEESA-N 246.310 2.504 30 20 BFED C[C@@H](CCC#N)SC1=N[C@H](C)CS1 840203346 PSFZBIUHOUSIGG-SFYZADRCSA-N 214.359 2.903 30 20 BFED CCC(=NOCCOC(C)C)[C@H]1C[C@@H]1C 841642615 XOBGWGOLYMZHOJ-QWRGUYRKSA-N 213.321 2.850 30 20 BFED C=C[C@@H](CC)OC(=O)[C@H](CC(C)C)OC 842331131 XNKJDFSUAVIZDS-QWRGUYRKSA-N 214.305 2.555 30 20 BFED C#C[C@H](OC(=O)C[C@@H](C)COC)c1ccccc1 842365413 NMLIQGRGYVCERC-OCCSQVGLSA-N 246.306 2.577 30 20 BFED C=C[C@H](C)ON=C(C)Cc1ccc(OC)nc1 844620436 KXNIPJCLJIPOIN-NSHDSACASA-N 234.299 2.600 30 20 BFED C=C[C@@H](C)ON=Cc1c(OC)cccc1OC 844621827 NUSVPGDISXTEEA-SNVBAGLBSA-N 235.283 2.629 30 20 BFED C=C[C@@H](C)ON=C(C)c1ccccc1[N+](=O)[O-] 844622853 CHHNUSKWGBDOCG-SECBINFHSA-N 234.255 2.910 30 20 BFED C/C(=C/c1ccco1)C(=O)O[C@@H](C#N)C(C)C 847637009 ILEPWWXDIRFNCW-UMAGTOLTSA-N 233.267 2.774 30 20 BFED C=CCC1(CNC(=N)NCC(C)C)CCCC1 849037737 ANJBIVKOCXAENR-UHFFFAOYSA-N 237.391 2.893 30 20 BFED CC#CCCOC(=O)[C@@](C)(F)CCCC 849846573 NJMNPIOCZPZCTO-LBPRGKRZSA-N 214.280 2.861 30 20 BFED C=CCOCC(=O)O[C@H]1CCCC[C@@H]1CC=C 851141519 AYMRFHGMVFZZFT-STQMWFEESA-N 238.327 2.867 30 20 BFED COC[C@@H](C)CC(=O)O[C@H](C)CC(C)(C)C#N 851210825 YKAMFZXXPJCPNL-WDEREUQCSA-N 241.331 2.531 30 20 BFED C=CCC1(NCc2cnoc2C)CCCC1 852588075 OBPPIVAKTNKLIF-UHFFFAOYSA-N 220.316 2.962 30 20 BFED COc1cccc(C=NN2CCCC[C@@H]2C)c1 853378463 DBIFXJWXIWBXBW-LBPRGKRZSA-N 232.327 2.904 30 20 BFED CC[C@@H]1CC(=NN2CCCC[C@H]2C)CCO1 853380173 PHOHQFVWIYMJLR-DGCLKSJQSA-N 224.348 2.806 30 20 BFED C#CCCOC(=O)N[C@H](C)CCC=C(C)C 859175744 OJRLEWIUWHEEPN-GFCCVEGCSA-N 223.316 2.871 30 20 BFED C=CCC1(C(=O)NCc2ccns2)CCC1 862410693 FQBBZUVOWFWINQ-UHFFFAOYSA-N 236.340 2.506 30 20 BFED C[C@@H](CC=NN1CCOC1=O)c1ccccc1 863163215 TWQVTWOIPDWTHW-NSHDSACASA-N 232.283 2.618 30 20 BFED C=CCN(Cc1ccc(C)c(C(=O)O)c1)C1CC1 872159750 ZGLFFNWAPIZNSA-UHFFFAOYSA-N 245.322 2.844 30 20 BFED CCOc1cccc(F)c1C=NN[C@H](C)CC 872368452 JPRLIDSAETWILC-SNVBAGLBSA-N 238.306 2.946 30 20 BFED C#CCCCCCCNCc1ccc(F)cn1 877104341 CICNRPAHKBQUEU-UHFFFAOYSA-N 234.318 2.894 30 20 BFED N#C[C@@H](c1ccccc1)N1CCC[C@@H](CF)C1 880238096 ONHQUFKAQAINLL-JSGCOSHPSA-N 232.302 2.933 30 20 BFED C[C@H]1CCN(c2ccc(C#N)cc2CO)C[C@H]1C 893059571 FYDAPPMBMPTAOH-NWDGAFQWSA-N 244.338 2.533 30 20 BFED C=C[C@H]1CCCCN1c1cc(C)cc(C#N)n1 893550091 ACGCCCJVEMIICJ-ZDUSSCGKSA-N 227.311 2.807 30 20 BFED C=C1CCN(C(=O)N[C@@H](C)CC(C)C)CC1 893798638 FSMKVBPCKGIKRQ-LBPRGKRZSA-N 224.348 2.783 30 20 BFED Cc1ncoc1CN(CCC#N)CC(C)(C)C 894003325 IYHKTRAJBGIRCI-UHFFFAOYSA-N 235.331 2.745 30 20 BFED CC1(C)C(C(=O)Nc2ncc(C#N)s2)C1(C)C 896481639 PJBMMZJNMIHOQE-UHFFFAOYSA-N 249.339 2.635 30 20 BFED C=C1CN(C(=O)/C(C)=C/c2ccc(C)cc2)C1 898703392 FKYQKUCBIYPRST-MDWZMJQESA-N 227.307 2.797 30 20 BFED C=C[C@@H](CC)Cc1nc([C@@H]2CCCO2)no1 901959728 LJXAHYSLPDMUPW-UWVGGRQHSA-N 222.288 2.676 30 20 BFED C=CC[C@H](CC)NCc1ccc(/C=C\C(=O)O)o1 902262362 IQSZOBMWUCEFLA-IQQGHNRFSA-N 249.310 2.822 30 20 BFED CCc1cc(C#N)ccc1OCc1cnsn1 902378699 QHHXETWDEDDBBP-UHFFFAOYSA-N 245.307 2.551 30 20 BFED C=C[C@@H](CC)Cc1nc([C@@]2(C)CCCO2)no1 904036444 PIPXODUWKVYYNV-GXFFZTMASA-N 236.315 2.850 30 20 BFED C=C[C@@H](CC)CC(=O)OCC[C@H]1CCCC1=O 909525622 QDBMJPDNTBCLLP-NWDGAFQWSA-N 238.327 2.891 30 20 BFED CC(=NNCc1ccccc1)c1ccncc1 916343815 IHERRJWWQCKHBB-UHFFFAOYSA-N 225.295 2.595 30 20 BFED CC1(C)CC[C@H](NC(=O)N2CCC[C@H](C#N)C2)C1 921752076 ZUKKGPAHPBJHBR-NEPJUHHUSA-N 249.358 2.510 30 20 BFED CCC[C@](C)(CC)C(=O)N1CCC[C@H](C#N)C1 928217475 MWNWUDNFBAIIJT-OCCSQVGLSA-N 236.359 2.965 30 20 BFED C=C[C@H](CC)CC(=O)N[C@@H](C)c1ccccn1 929346070 NUNLOQJIXBGZFM-NWDGAFQWSA-N 232.327 2.861 30 20 BFED C#Cc1ccc(NC(=O)N2CC[C@H]3C[C@@H]3C2)cc1 934923893 ZYDDHPGWRWHJET-QWHCGFSZSA-N 240.306 2.542 30 20 BFED CCCCCC(C)=NNC(=S)NC(C)C 1115825070 BSSYJYWKQDSBFB-UHFFFAOYSA-N 229.393 2.815 30 20 BFED C=CC[C@H](NC(=O)NC1(C)CC1)c1ccncc1 1116090909 CMSCFTMQZXGZPP-LBPRGKRZSA-N 245.326 2.551 30 20 BFED C=C(CC)C(=O)N1CCC[C@@H](c2ccccn2)C1 1123891823 MYLLEVFXTXLKGT-CYBMUJFWSA-N 244.338 2.754 30 20 BFED Cc1cccc(NC(=O)c2ccsc2C#N)n1 1124456984 RSZHDZFQMBJQBX-UHFFFAOYSA-N 243.291 2.576 30 20 BFED CC(C)COC(=O)C1(c2cccc(C#N)c2)CC1 1324167820 QUNZNEMVEWWHBV-UHFFFAOYSA-N 243.306 2.789 30 20 BFED N#CCCCNC(=O)N1CC[C@H]2CCCC[C@@H]2C1 1325238034 RZNPUZHTQLGBNU-CHWSQXEVSA-N 249.358 2.512 30 20 BFED C=C(C)CCC(=O)Nc1cc(C(C)C)[nH]n1 1339045759 NKUUVJKORHXSBP-UHFFFAOYSA-N 221.304 2.828 30 20 BFED C=C(C)CCC(=O)OCCOC1CCCC1 1342286319 MWHVCPPZUHYXPE-UHFFFAOYSA-N 226.316 2.845 30 20 BFED Cc1ccccc1[C@@H](C)C(=O)O[C@@H](C)CC#N 1347053311 YPOCSFLFDSXQSH-NWDGAFQWSA-N 231.295 2.944 30 20 BFED C=C[C@H](C(=O)N1CC[C@@H](F)C1)c1ccccc1 1352261705 ILSLFWOPQKALON-OLZOCXBDSA-N 233.286 2.527 30 20 BFED C/C(=C/c1ccco1)C(=O)O[C@@H]1CC[C@@H](C#N)C1 1357690643 YKEMBEHCZPBNMK-DXOQAXHHSA-N 245.278 2.918 30 20 BFED C=CCC[C@H]1CCCN1c1cc(C)ncn1 1516127251 RHAQJKPZDBADEW-LBPRGKRZSA-N 217.316 2.720 30 20 BFED C=C(C)CCC(=O)O[C@H](C(=O)O)C1CCCC1 1588559406 OHILXLVHIPAIRD-LBPRGKRZSA-N 240.299 2.529 30 20 BFED C=CC[C@H](C(=O)O)N1CC[C@H]1c1ccc(F)cc1 1588729792 NFCSHVJZILNCEA-QWHCGFSZSA-N 249.285 2.602 30 20 BFED C=CCCC(=O)O[C@H](C)c1cc(C(=O)O)co1 1609324862 SLTMKCNNDKQGOW-MRVPVSSYSA-N 238.239 2.548 30 20 BFED C=C[C@H](CCC(=O)O)NCc1ccc(C)cc1 1776148334 LXOMKQDZEAUQDQ-CYBMUJFWSA-N 233.311 2.504 30 20 BFED C=CC[C@H](NCc1csc(Cl)c1)C(=O)O 1776152781 AEXPFXMQQPGWSU-QMMMGPOBSA-N 245.731 2.520 30 20 BFED O=CCCCCCCCCCC(=O)O 13512355 ZGPVCRPNBPLGDV-UHFFFAOYSA-N 200.278 2.781 30 20 BFED biogenic N#Cc1ccc(-c2ccc(C(=O)O)s2)cc1 16946068 KUWSAQYQTPFDTN-UHFFFAOYSA-N 229.260 2.985 30 20 BFED N#Cc1cc2ccccc2nc1N1CCCC1 19801434 BOFMCALVDZWXRD-UHFFFAOYSA-N 223.279 2.707 30 20 BFED Cc1cc(C)nc(NCc2ccc(C#N)cc2)n1 37749643 BCJYNNWYAJKAJA-UHFFFAOYSA-N 238.294 2.577 30 20 BFED C=C(C)COc1cc(Cl)ccc1C(=O)O 42220560 FAEKDLKWVMQRLF-UHFFFAOYSA-N 226.659 2.993 30 20 BFED C[C@H]1CCC[C@H](N(C)c2ncccc2C#N)C1 42240363 JLMQMEMTPFNFCB-AAEUAGOBSA-N 229.327 2.968 30 20 BFED CC[C@](C)(C#N)NC(=O)C1CCCCCC1 53714563 TWBHAJSGTIXPOL-CYBMUJFWSA-N 222.332 2.765 30 20 BFED CC[C@@H](CC#N)NC(=O)CCCc1ccccc1 54177261 RJYYUTMZBYXFBL-AWEZNQCLSA-N 244.338 2.818 30 20 BFED C[C@H]1CCCC[C@@H]1Nc1ccnc(C#N)c1 60537876 INGQBXMHJYPEFD-GWCFXTLKSA-N 215.300 2.944 30 20 BFED C=CCc1ccccc1OCc1nc(C)no1 78381180 WQYJAQZTDDSICE-UHFFFAOYSA-N 230.267 2.686 30 20 BFED N#CCCN(Cc1ccco1)C[C@H]1CCCCO1 78666534 VHKKCTQBRUQQMW-CYBMUJFWSA-N 248.326 2.564 30 20 BFED C=CCN(CC=C)Cc1ccsc1C(=O)O 82501765 YPOHJIXZJSQWFD-UHFFFAOYSA-N 237.324 2.620 30 20 BFED C=C(CC)CS[C@@H](C)CC(=O)OC 85160477 UINRRKIVBCJRDT-VIFPVBQESA-N 202.319 2.637 30 20 BFED Cc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)c(F)c1 85440099 CAJDSDUTBQLNJF-GFCCVEGCSA-N 248.301 2.802 30 20 BFED CC1(C)CCC[C@@H]1Nc1cccc(C#N)n1 86831438 NVQUDQGLDARDDN-NSHDSACASA-N 215.300 2.944 30 20 BFED Cc1cc(C)cc(C2=CCN(CC#N)CC2)c1 92426904 CUMRFUINCNEHKD-UHFFFAOYSA-N 226.323 2.916 30 20 BFED C=C[C@H](N)c1ccc(OC(F)(F)F)c(F)c1 95643778 HBALIGWTTOQVKU-QMMMGPOBSA-N 235.180 2.910 30 20 BFED Cc1cc(C=O)ccc1Oc1ccc(C#N)cn1 98180803 KCZPGEOFXIZLGO-UHFFFAOYSA-N 238.246 2.867 30 20 BFED C=CCCOC(=O)c1sc(C)cc1OC 114049709 HADVZHKUAASZCL-UHFFFAOYSA-N 226.297 2.798 30 20 BFED C=CCSCCOc1ccccc1OC 114756645 NBMZBXGVHUBVLN-UHFFFAOYSA-N 224.325 2.993 30 20 BFED C=C(C)CNCc1ncc(C(C)C)s1 119640479 LJNURKJCCCOJPO-UHFFFAOYSA-N 210.346 2.932 30 20 BFED CC(C)(C)n1cnnc1SCCCCC#N 122606562 MBRJCXWPWLDTEV-UHFFFAOYSA-N 238.360 2.819 30 20 BFED Cc1cc(CN2CCC(C#N)CC2)ccc1F 123707983 HZODHIOGZFUTJZ-UHFFFAOYSA-N 232.302 2.870 30 20 BFED C=CCc1ccccc1OCc1nc(CC)no1 123780401 WYPPJHNCQHZGOU-UHFFFAOYSA-N 244.294 2.940 30 20 BFED C=CCNC(=O)C[C@H](C)C1CCCCC1 123789619 SQFCMWFLBOYYAY-NSHDSACASA-N 209.333 2.895 30 20 BFED C=C[C@H](C)NC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 128207903 HKKIFOADEIVRAD-MBNYWOFBSA-N 244.338 2.964 30 20 BFED CN(Cc1ccc(C#N)s1)[C@H]1CCSC1 130603296 QBAMZHBKHPBUCU-VIFPVBQESA-N 238.381 2.557 30 20 BFED C=CCNc1cccc(CN(CC)C(C)=O)c1 133035399 HWMDJTUYOIXIPK-UHFFFAOYSA-N 232.327 2.653 30 20 BFED C#CCSCCN[C@@H]1CCC[C@@H](C)[C@H]1C 134742214 ARLOCPORAKGGGQ-JHJVBQTASA-N 225.401 2.767 30 20 BFED C=C[C@@](C)(CC)C(=O)NCCCOCC1CC1 134911026 WIYDOVBASUEOJM-AWEZNQCLSA-N 239.359 2.522 30 20 BFED C=C[C@@](C)(CC)C(=O)NCc1nc(C)cs1 134920089 MCVOHDUGYCJWMZ-LBPRGKRZSA-N 238.356 2.670 30 20 BFED C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)CCCS1 135114866 VXWCGBWXKDBQNW-QWHCGFSZSA-N 241.400 2.991 30 20 BFED CC#CCNC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 135570377 VNTCCGLOQSJLDL-OLZOCXBDSA-N 244.338 2.501 30 20 BFED C=C(C)CN1C[C@@H](CC(=O)O)c2ccccc21 148040136 QCLATKMIGWZRBG-LLVKDONJSA-N 231.295 2.641 30 20 BFED CCCN(CC#N)C(=O)[C@H](C)c1cccs1 152496825 ZJJYOXGARFXKRR-SNVBAGLBSA-N 236.340 2.614 30 20 BFED C=CC1CCN(Cc2ccc(C)nc2)CC1 153893167 UEDAXCATENFCIW-UHFFFAOYSA-N 216.328 2.788 30 20 BFED C=C[C@H](C)NC(=O)[C@@H](C)c1cccs1 155597813 PJOJNLHGNYDEDN-IUCAKERBSA-N 209.314 2.542 30 20 BFED CC#CCCOc1ccc(C(C)=O)cc1F 157754836 KJSYLQKFMHLUDI-UHFFFAOYSA-N 220.243 2.821 30 20 BFED C#CCCCN[C@@H](C)CCc1ccco1 160878038 RTNNIOOYOCMTIY-LBPRGKRZSA-N 205.301 2.604 30 20 BFED C=C(C)CNC(=O)c1sccc1SC 161031912 NUIXRXSRQKFNSE-UHFFFAOYSA-N 227.354 2.776 30 20 BFED C=C(C)CNC(=O)c1cc(F)cc2cccnc12 161116474 YZQFAYIZFIIWRU-UHFFFAOYSA-N 244.269 2.680 30 20 BFED C=CCN(C)C(=O)CCCOc1cccc(C)c1 161495434 QYTBFPNUCVYUPC-UHFFFAOYSA-N 247.338 2.798 30 20 BFED C=CCOc1ccnc2cc(OC)ccc12 165340523 CLZLJCGEIOJCDC-UHFFFAOYSA-N 215.252 2.808 30 20 BFED Cc1cc(C#N)ccc1CN1CC[C@H](C)C1 165447675 BVAJCNDWKMVBMQ-NSHDSACASA-N 214.312 2.709 30 20 BFED C=C(C)CN(C)CC(=O)Nc1ccc(CC)cc1 181287866 UKSQGJBIQFEIDO-UHFFFAOYSA-N 246.354 2.695 30 20 BFED COCCC[C@H](C)C(=O)Nc1ccccc1C#N 182168994 ANUWBRHIJNUXHO-NSHDSACASA-N 246.310 2.559 30 20 BFED C=CCCC[C@@H](C)NC(=O)CC[C@@H]1CCOC1 182600405 YPTRKXGLNHWDHK-CHWSQXEVSA-N 239.359 2.664 30 20 BFED CC#CCCCC(=O)NC[C@H]1C[C@@H]2CC[C@@H]1C2 185390364 PAYHSEZSIFTTTR-MGPQQGTHSA-N 233.355 2.732 30 20 BFED CC#CCN[C@@H]1CCCC[C@H]1SCC 189524703 YSEVMGFXHHKAGX-VXGBXAGGSA-N 211.374 2.664 30 20 BFED C=C(C)COC(=O)c1cn(C)c2ccccc12 194484742 NTSMGVRYZGNZGQ-UHFFFAOYSA-N 229.279 2.911 30 20 BFED C=C(C)CNC(=O)Nc1c(C)cccc1OC 195002228 SWMATWOQXFURHM-UHFFFAOYSA-N 234.299 2.701 30 20 BFED CC(C)[C@H](C)S(=O)(=O)CCCC(C)(C)C#N 223500233 HBFPVTXPZGZADK-NSHDSACASA-N 245.388 2.776 30 20 BFED CCC[C@@H](C#N)NC(=O)[C@H](C)c1ccccc1 228844756 NJFONSLKRURGJQ-YPMHNXCESA-N 230.311 2.599 30 20 BFED C#C[C@@H](CC)NCc1cccc(OCCC)c1 229887287 VVEFKSZDIPJOEG-AWEZNQCLSA-N 231.339 2.977 30 20 BFED CS[C@H]1CC[C@H](Nc2cccnc2C#N)C1 235141914 AFRIOLFZRZMPER-UWVGGRQHSA-N 233.340 2.649 30 20 BFED CCCCCCCN1C[C@H](C)NC[C@H]1C 250796718 BAQYWKHQXUBYTI-QWHCGFSZSA-N 212.381 2.639 30 20 BFED C[C@H]1[C@H](C)CCCN1c1cccc(C#N)n1 252134028 LFTZBUCUNGTKHA-MNOVXSKESA-N 215.300 2.578 30 20 BFED C=CCCON=C1CCOc2ccccc21 255898996 CVBNIOXMOCVYJL-UHFFFAOYSA-N 217.268 2.766 30 20 BFED C=C1CCN(C(=O)/C=C/c2ccc(C)o2)CC1 264090121 AOTFUDNNMZBKMV-AATRIKPKSA-N 231.295 2.780 30 20 BFED Cc1ccc([N+](=O)[O-])c(N2CCC(C#N)CC2)c1 268003802 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C=CCCN(C)C(=O)Nc1cc(C(C)C)on1 276161712 RPVFZUOXTHSADS-UHFFFAOYSA-N 237.303 2.838 30 20 BFED CC1(C)CCCN(C(=O)c2ccsc2)[C@H]1C#N 277992773 RHDAKYOLMGLZAF-NSHDSACASA-N 248.351 2.902 30 20 BFED Cc1ccc(COC(=O)CC(C)(C)C#N)cc1 278766825 KQDBLJYNRHUUBF-UHFFFAOYSA-N 231.295 2.978 30 20 BFED Cc1cc(Cl)cc(C(=O)N2CC(C)(C#N)C2)c1 280384589 FVNKUINPGCJRAG-UHFFFAOYSA-N 248.713 2.634 30 20 BFED CC#CCN[C@H](COC)c1cccc(Cl)c1 288861334 PVBZLSOBOSEZKA-CYBMUJFWSA-N 237.730 2.640 30 20 BFED C=CCCCCCCNCc1csnn1 289970962 ZFAGLXYICKILME-UHFFFAOYSA-N 225.361 2.764 30 20 BFED C=CCN(c1nnc(CC(C)C)n1CC)C1CC1 290941871 FSISICKNKQDCBA-UHFFFAOYSA-N 248.374 2.651 30 20 BFED CC[C@@H](C)CONc1cc(C#N)ccc1[N+](=O)[O-] 291782233 IEXFCZACDLEAFE-SECBINFHSA-N 249.270 2.856 30 20 BFED CCC1(C)CN(c2ccc(C#N)cc2[N+](=O)[O-])C1 292392328 QYTDTYTVXPIVIW-UHFFFAOYSA-N 245.282 2.703 30 20 BFED C=CCN(CCC#N)C(=O)C1CCCCCC1 292443975 MZLGIERUAVUMDT-UHFFFAOYSA-N 234.343 2.885 30 20 BFED CC#CCN(C)C(=O)[C@@H](SC)c1ccccc1 294734666 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208.227 2.704 30 20 BFED C[C@H](C#N)CNN=C[C@H](C)CCc1ccccc1 771104888 WKPDNMJLGIQHOW-ZIAGYGMSSA-N 243.354 2.990 30 20 BFED CCOCCON=C1CCC[C@@H]1C(C)C 774437509 YCOLHCDNMKHNGU-LLVKDONJSA-N 213.321 2.852 30 20 BFED C=CCCC[C@H](C)NC(=O)NCC(=C)Cl 775748116 RKTQJPIVJPTYLU-JTQLQIEISA-N 230.739 2.783 30 20 BFED C[C@H]1CC[C@H](OC(=O)Cc2ccc(C#N)cc2)C1 779263819 LMENKNFRKLFQOS-FZMZJTMJSA-N 243.306 2.833 30 20 BFED CC(=NNCc1ccccc1)[C@H]1CCCOC1 779762334 GYLMKCLKDIKBJR-AWEZNQCLSA-N 232.327 2.579 30 20 BFED C=C(CC)COC(=O)c1ncc(C)cc1C 780229291 BOTLEVQJJGKOME-UHFFFAOYSA-N 219.284 2.821 30 20 BFED C[C@@H]1CCCC[C@H]1C=NNc1ncccn1 783823470 FHTDIVHBGYCKNS-MNOVXSKESA-N 218.304 2.701 30 20 BFED C=C[C@@H]1CCCCN1C(=O)/C=C/c1ccco1 785858337 WWNALSQGWAPYCP-IDVQTMNDSA-N 231.295 2.860 30 20 BFED Oc1ccc(F)cc1C=NNC1CCCCC1 786042435 WOCCIMDSIYVVNI-UHFFFAOYSA-N 236.290 2.788 30 20 BFED C=CCNC(=S)Nc1cc(C)cnc1Cl 787188929 LIAKBWIMFDGMFG-UHFFFAOYSA-N 241.747 2.516 30 20 BFED CC(C)(C(=O)NCCC#N)C1CCCCC1 787629746 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30 20 BFED Cc1ccc(NN=C[C@@H]2CC[C@H](C)C2)nn1 800813519 ZDKGIXMCMSIQIU-GXSJLCMTSA-N 218.304 2.619 30 20 BFED CC#CC(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@H]1C 801181317 KKSLEGVRSUJBGP-WDEREUQCSA-N 245.297 2.683 30 20 BFED CC#CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 801196748 GJKREGGOJNHHSO-UHFFFAOYSA-N 246.354 2.625 30 20 BFED CCCC[C@H](C)C(C)=NNS(=O)(=O)C(C)C 807968198 RDBLWVNBMGNOAQ-JTQLQIEISA-N 248.392 2.516 30 20 BFED C(=NN[C@@H]1CCSC1)C1CCCCC1 808003235 LTADJVPETHNWNP-LLVKDONJSA-N 212.362 2.648 30 20 BFED C#Cc1ccc(CNc2ncccc2C)cc1 809606773 DBZGSOJODRJCFG-UHFFFAOYSA-N 222.291 2.983 30 20 BFED C#Cc1ccccc1CC(=O)N[C@H]1CC[C@H](C)C1 810693821 UIZMIXOBZJBZQE-WFASDCNBSA-N 241.334 2.515 30 20 BFED Cc1cc(C)cc(NN=Cc2snnc2C)c1 814214909 IJZPQSVPTHQWPY-UHFFFAOYSA-N 246.339 2.909 30 20 BFED CC[C@@H](C)CON=Cc1cnn(CC(F)F)c1 814229234 ULDQJIALAGDFTF-SECBINFHSA-N 245.273 2.545 30 20 BFED Cc1ccc(COC(=O)c2cc(C#N)cs2)o1 816430530 XAOHOPVTVUNKEP-UHFFFAOYSA-N 247.275 2.878 30 20 BFED 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C=C(CC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 1521335532 WTAYNDVOEVOXPM-LBPRGKRZSA-N 246.354 2.896 30 20 BFED C=CCCCN1CC[C@@H](CC(=O)O)C1(C)C 1776175074 QLJQKZKDJMDCEE-NSHDSACASA-N 225.332 2.528 30 20 BFED Cc1nc(-c2cccc(F)c2)nc(C#N)c1C 1898208394 UHZUDDGUASQOHB-UHFFFAOYSA-N 227.242 2.771 30 20 BFED C=CCN(CC=C)C(=O)[C@H]1CC=CC[C@H]1C 6041205 UJHQHUZGEJXILE-OLZOCXBDSA-N 219.328 2.789 30 20 BFED C[C@H](C#N)OC(=O)c1cccc(-n2cccc2)c1 6830719 GWBVSFIZXMADBY-LLVKDONJSA-N 240.262 2.546 30 20 BFED C=CCNC(=S)N[C@H](C)c1ccccc1C 16240960 SSJUNHCRFHFCAE-LLVKDONJSA-N 234.368 2.706 30 20 BFED CC[C@H](C)N(C)Cc1ccc(C#N)cc1 37110151 FNWGELYSOVOEKD-NSHDSACASA-N 202.301 2.789 30 20 BFED N#CCCCNc1ccc(C#N)c(Cl)c1 37393455 XSNSHRCVTXKZCK-UHFFFAOYSA-N 219.675 2.927 30 20 BFED C[C@H](C#N)CN(C)c1cccc(C(F)(F)F)n1 44271063 VQECGYRPEYNNAZ-MRVPVSSYSA-N 243.232 2.696 30 20 BFED CC(C)(C#N)C(=O)Nc1cc(Cl)ccc1F 44318112 DMRZFWNOEIDOOU-UHFFFAOYSA-N 240.665 2.967 30 20 BFED C=CCNC(=O)Nc1ccc(C#N)c(Cl)c1 48474433 LLSASNMEEQIMKY-UHFFFAOYSA-N 235.674 2.519 30 20 BFED CCc1ccc(CN(CC)CC#N)cc1 49961525 KXOFTKSWMMHXDV-UHFFFAOYSA-N 202.301 2.594 30 20 BFED CC[C@H](C)CNC(=O)C1(C#N)CCCCC1 54473623 RVRXCHDHVUQQQS-NSHDSACASA-N 222.332 2.623 30 20 BFED CN(CC1CCCC1)C(=O)c1cccc(C#N)c1 64088373 SRDSHZXAEASMLZ-UHFFFAOYSA-N 242.322 2.820 30 20 BFED C=CCCCN1CCC(CCC(=O)O)CC1 70593114 DHNYJEWMOMWIJJ-UHFFFAOYSA-N 225.332 2.529 30 20 BFED Cc1nnc(N[C@H]2CCC[C@H]2C)c(C#N)c1C 71209388 UDHYKSCLFOOUHC-PELKAZGASA-N 230.315 2.566 30 20 BFED CCN(CCCSCC#N)C1CCCC1 74981792 LCYHXDQXKZBCRS-UHFFFAOYSA-N 226.389 2.898 30 20 BFED CC[C@H](COC)Nc1ccc(C#N)cc1F 79745384 IAXSGFZRRPZWGH-SNVBAGLBSA-N 222.263 2.534 30 20 BFED N#Cc1cccnc1Oc1ccc2nccnc2c1 89648213 UOVGEFYLEMQUAA-UHFFFAOYSA-N 248.245 2.689 30 20 BFED C=C(C)COc1ccc(N(C)C(C)=O)cc1 92896197 QZAPBSKBHWVKNX-UHFFFAOYSA-N 219.284 2.624 30 20 BFED C[C@H](C1CC1)N(C)c1ccc(C#N)c([N+](=O)[O-])c1 94592872 JDKGXHSMLQURKM-SECBINFHSA-N 245.282 2.701 30 20 BFED C#CCN(CCCCC#N)Cc1ccc(F)cc1 102398949 HKLUOEQSSWIZJC-UHFFFAOYSA-N 244.313 2.955 30 20 BFED C[C@H]1CCCN(Cc2ccc(F)cc2C#N)C1 103138540 RHKYLGCVNAQZMO-NSHDSACASA-N 232.302 2.929 30 20 BFED CC(C)CCC(=O)N(CCC#N)CC1CC1 103438504 FNDLDWGNSFVYDM-UHFFFAOYSA-N 222.332 2.575 30 20 BFED CCCCCCCNCc1cnccn1 107799937 GOMLTLWKCBATNG-UHFFFAOYSA-N 207.321 2.537 30 20 BFED Cc1ccc(C#N)c(N2CCC[C@@H](C)CC2)n1 110815238 MPAIMDAJDCFCKN-LLVKDONJSA-N 229.327 2.888 30 20 BFED CC#CCN1CCC[C@H]1COc1ccccc1 119950186 YTEOJQZYQSZFMQ-AWEZNQCLSA-N 229.323 2.553 30 20 BFED CCN(CC#N)Cc1cccc(OC(C)C)c1 121036707 RUILHHZDKQXTIR-UHFFFAOYSA-N 232.327 2.819 30 20 BFED CC#CCNC(=O)[C@H](C)c1cc2ccccc2o1 121162384 QJAMMPLLVWPWFQ-LLVKDONJSA-N 241.290 2.676 30 20 BFED CCCCCCCCC(=O)N(C)CC[C@H](C)O 123289525 BKPRCCCHDBJVFW-ZDUSSCGKSA-N 243.391 2.966 30 20 BFED COc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1 125715890 QZWZQIIAEFMWFO-UHFFFAOYSA-N 244.294 2.574 30 20 BFED C=C(C)CN(CC)[C@H](C)C(=O)NC(C)(C)CC 125945671 YZNWCRNILBRKNP-GFCCVEGCSA-N 240.391 2.578 30 20 BFED C=CCCC(=O)N[C@H](C)[C@@H]1COc2ccccc21 128149770 GBCOOSUHJCCFAC-YPMHNXCESA-N 245.322 2.634 30 20 BFED CN(CC1CCCC1)C(=O)c1sccc1C#N 128177294 HIGOVBUCYOHUFV-UHFFFAOYSA-N 248.351 2.882 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1cnccc1C 135071470 FMRHXMXCSIVWQU-CYBMUJFWSA-N 218.300 2.931 30 20 BFED CC[C@@](C)(C#N)C(=O)N(C)c1ccccc1 136161460 CJFZODYSWXLGQA-ZDUSSCGKSA-N 216.284 2.589 30 20 BFED C=C[C@@H](Cc1nc(C)no1)c1ccccc1 136464344 KNSTXSJUYSWNMV-NSHDSACASA-N 214.268 2.890 30 20 BFED C=CCCOCC(=O)N(C)[C@@H]1CCCC[C@H]1C 146701399 JILJKUGPNFHOPP-CHWSQXEVSA-N 239.359 2.616 30 20 BFED C#CCCN[C@@H](C)c1cc(C)cc(C)c1 148372283 QQJGQEDJTWUEBW-ZDUSSCGKSA-N 201.313 2.977 30 20 BFED C#CCCCCNC(=O)CCCc1ccccc1 156616563 QSUQJWOKQTVSKB-UHFFFAOYSA-N 243.350 2.929 30 20 BFED C=C(C)CNC(=O)N[C@@H]1CCCCC1(C)C 156789549 KFJSHAOECJUMPT-LLVKDONJSA-N 224.348 2.831 30 20 BFED COc1cccc(CN(C)[C@@H](C)CC#N)c1F 165906046 VJHKVYIBNOGRCW-JTQLQIEISA-N 236.290 2.568 30 20 BFED C=CCOCCCC(=O)N[C@H]1CCC[C@@H](C)C1 173358397 PHFWRKKYYSKYTR-OLZOCXBDSA-N 239.359 2.664 30 20 BFED C[C@H]1COc2ccccc2N1CCCCC#N 173802694 BJJSVXOLWVZUGC-LBPRGKRZSA-N 230.311 2.968 30 20 BFED C=CCCOC(=O)Cc1cc(F)ccc1F 174059243 QNCKCRSBMGRAIT-UHFFFAOYSA-N 226.222 2.627 30 20 BFED C=CCSCc1nccn1C(F)F 175298926 SZPCUBGAJPCXCA-UHFFFAOYSA-N 204.245 2.697 30 20 BFED C=C[C@@H](CC(=O)N(C)C1CC1)c1ccccc1 178906780 VHCXDOXAGFFUKV-LBPRGKRZSA-N 229.323 2.967 30 20 BFED CCCCC[S@](=O)CCCCC#N 180522042 NUTFHTMTYUHPMN-ZDUSSCGKSA-N 201.335 2.619 30 20 BFED CC#CCOc1cccc2ccc(C)nc12 180622209 UUBTWEBBVOGHQB-UHFFFAOYSA-N 211.264 2.945 30 20 BFED CC[C@@H](C#N)NC(=O)[C@H](C)Cc1ccc(C)cc1 181256020 JCGQFWCLOPJYDE-OCCSQVGLSA-N 244.338 2.592 30 20 BFED CCCCN(CCCO)Cc1ccccc1C#N 182148333 HJIMORYJNSLQMN-UHFFFAOYSA-N 246.354 2.543 30 20 BFED CC[C@H](CC#N)NC(=O)[C@@H]1CCC[C@H](C)C1 183927050 STASKJKLCJAGJQ-QJPTWQEYSA-N 222.332 2.621 30 20 BFED CC#CCCCC(=O)N1C[C@@H](C)C[C@H](C)C1 184892798 WUDIMKSYMGFEQS-STQMWFEESA-N 221.344 2.685 30 20 BFED C#Cc1cccc(NC(=O)NCC=C(C)C)c1 190685273 LTCLCBFICWKGRJ-UHFFFAOYSA-N 228.295 2.756 30 20 BFED C#CCCCC(=O)NC[C@H](C)Cc1cccs1 192138223 CEHWDHGDZVCYNA-GFCCVEGCSA-N 249.379 2.846 30 20 BFED CCOCCSCc1cccc(C#N)c1 194546089 CTXVOLBIVMGDRO-UHFFFAOYSA-N 221.325 2.828 30 20 BFED C[C@]1(C#N)CCCN1Cc1ccccc1 208093264 KSDNXKKNELKONC-CYBMUJFWSA-N 200.285 2.565 30 20 BFED C[C@@H](CC#N)N(C)C/C=C\c1ccccc1 214058721 ULEWIFOAKGAANQ-XURPKSDJSA-N 214.312 2.934 30 20 BFED C=CCOc1ccc(CN[C@@H]2CCSC2)cc1 230704249 NFUNQSNIWAKDAT-CYBMUJFWSA-N 249.379 2.847 30 20 BFED CCc1nn(C)cc1NCCCC(C)(C)C#N 231083643 MPKBJAUINGJSNL-UHFFFAOYSA-N 234.347 2.724 30 20 BFED CCS[C@@H]1CCC[C@H]1NCCCC#N 233840242 XRQQRKZBARBPDS-GHMZBOCLSA-N 212.362 2.554 30 20 BFED C/C=C\CSCC(=O)Nc1ccc(C#N)cc1 255599299 QKEIJSKZHDZFGH-IHWYPQMZSA-N 246.335 2.806 30 20 BFED N#C[C@@]1(c2cccc(F)c2)CCCC(=O)C1 261508920 YIVDYVPKXVZJQE-CYBMUJFWSA-N 217.243 2.730 30 20 BFED C=C1CCN(C[C@@H](O)c2ccccc2F)CC1 264430936 CJYRWZODYLSEJV-CQSZACIVSA-N 235.302 2.511 30 20 BFED CCCCCCCC(=O)NCc1ncc(C)o1 266687749 BFAHHFJDBANAFH-UHFFFAOYSA-N 238.331 2.960 30 20 BFED C[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1C 267612518 GZNWUCGEINDRMF-RKDXNWHRSA-N 235.718 2.699 30 20 BFED C=CCC[C@@H](CC)NC[C@](C)(O)c1ccco1 268932768 XTHSNOMPSBRWLW-OCCSQVGLSA-N 237.343 2.822 30 20 BFED C#CCN(CC)C(=O)[C@H]1C[C@H]1c1sccc1C 269667751 YHWBMDALGBOJBR-NEPJUHHUSA-N 247.363 2.642 30 20 BFED C#CCCCN1C[C@H]2CCC(=O)c3cccc1c32 274316830 ZEZUASATHLVPCA-GFCCVEGCSA-N 239.318 2.980 30 20 BFED C=C(Cl)CNC(=O)[C@H]1C[C@@]1(C)C(C)C 274942649 PWNBFYIMCGUEBX-KOLCDFICSA-N 215.724 2.537 30 20 BFED CCC(O)(CC)CCNCc1ccc(C#N)cc1 276222601 MFFSAGQJCSTDPA-UHFFFAOYSA-N 246.354 2.589 30 20 BFED N/C(=N\Cc1ccc(C2CCC2)cc1)NC1CC1 276844807 CRIHTHJBITTWDR-UHFFFAOYSA-N 243.354 2.521 30 20 BFED CC#CC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 277629703 JGUJDYZSHGEOTR-HNNXBMFYSA-N 245.297 2.806 30 20 BFED CO[C@H](c1ccccc1)[C@@H](C)NCCCC#N 278390346 AFNXDEMZUSNSFQ-OCCSQVGLSA-N 232.327 2.656 30 20 BFED C=C(Cl)CNC(=O)c1ccoc1C(C)C 280800459 VTMPLQWQTZUCSP-UHFFFAOYSA-N 227.691 2.885 30 20 BFED C=CC[C@@H](CC)NC(=O)Cc1ccccc1OC 281179288 YOLSKEHWHRCWFD-CYBMUJFWSA-N 247.338 2.709 30 20 BFED C[C@H](/N=C/c1ccccc1O)C(F)(F)F 287218417 NCMFUNXVHDIFJM-GYXDYACRSA-N 217.190 2.762 30 20 BFED Cc1cc(C#N)nc(N2CC[C@@H](CC(C)C)C2)n1 288555026 VWSGKVBVBFWGPT-LBPRGKRZSA-N 244.342 2.529 30 20 BFED C=C(C)CCNc1cccc2c1COC2=O 290107578 LLONPEGRBRCOTD-UHFFFAOYSA-N 217.268 2.735 30 20 BFED C#Cc1ccc(CNC[C@H](O)CC(C)(C)C)cc1 290387396 OJZLSMUVVLFESL-OAHLLOKOSA-N 245.366 2.555 30 20 BFED Cc1ccc2c(c1)CCCN2C(=O)CCCC#N 291205201 QQPIVNKGDSMINU-UHFFFAOYSA-N 242.322 2.968 30 20 BFED CC#CC(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C 292576679 GFHPRLHHLYNATH-UMVBOHGHSA-N 241.334 2.803 30 20 BFED N#CCC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 294266453 SHUSJEXZOVPQKC-AWEZNQCLSA-N 240.306 2.654 30 20 BFED C=CCNc1nc(C2CCOCC2)c(C)s1 294889202 AWXQBOKUOJGBSJ-UHFFFAOYSA-N 238.356 2.943 30 20 BFED CC/C=C/CNc1ccc([N+](=O)[O-])c(C#N)c1 295034431 SFWBTVXIODAKTD-ONEGZZNKSA-N 231.255 2.845 30 20 BFED C=C1CCN(C(=O)OC2CCCC2)CC1 296575861 DMFLDVCIHHZKLK-UHFFFAOYSA-N 209.289 2.718 30 20 BFED CCN(CC#N)C(=O)C[C@@H](C)c1ccccc1 299293677 KAYULIXHKWKAQB-GFCCVEGCSA-N 230.311 2.552 30 20 BFED CC[C@H](CC#N)Nc1ncnc2ccc(F)cc12 302140499 GSXITKJOSNQKDZ-SNVBAGLBSA-N 244.273 2.873 30 20 BFED C=CCCC[C@H](C)NC(=O)CC1(O)CCCC1 305756618 AMAUNMBOSIHKLD-LBPRGKRZSA-N 239.359 2.543 30 20 BFED CC(C)CC(N)=NOC/C(Cl)=C\Cl 308139418 HKCNBZQRNVCCHB-QPJJXVBHSA-N 225.119 2.640 30 20 BFED CC[C@@H](C)CON=C[C@H]1CCSC1 308293071 IJNDZKINHDQMTM-NXEZZACHSA-N 201.335 2.788 30 20 BFED COCC#CCN[C@@H](C)c1cc(C)sc1C 309979606 VOEYYUCXUZMEMO-NSHDSACASA-N 237.368 2.665 30 20 BFED C=C(CC)CNCc1ccc(C#N)s1 313500603 IVLHJEZBEBWWTL-UHFFFAOYSA-N 206.314 2.676 30 20 BFED Cc1nc(CC/N=C(/O)[C@@H]2C[C@@H]2C2CC2)c(C)o1 329063680 ZYEUYMSUACWSTQ-VXGBXAGGSA-N 248.326 2.837 30 20 BFED Cc1cnc(N=C(O)[C@H]2CCC(=O)C[C@H]2C)o1 329247473 WCWLZPHJDFBPFX-XCBNKYQSSA-N 236.271 2.576 30 20 BFED CC1(C)[C@H](c2ccccc2)CCN1CC#N 334665651 HEGOCYNNRGTIAW-ZDUSSCGKSA-N 214.312 2.778 30 20 BFED N#CCc1cccc(NC(=O)C2CC=CC2)c1 335004937 JRDKPJDWASNPBG-UHFFFAOYSA-N 226.279 2.657 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@H]1CCOC(C)(C)C1 335115762 RKCGSBYTBBFTDJ-NSHDSACASA-N 239.359 2.663 30 20 BFED C[C@@H]1CCCN(C(=O)NCC2(CC#N)CC2)CC1 335228682 SKKDLUFSTLCLDR-GFCCVEGCSA-N 249.358 2.512 30 20 BFED Cc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)o1 335713386 QQSMLCHDHJUZJU-LBPRGKRZSA-N 246.310 2.742 30 20 BFED C[C@@]1(F)CCN(Cc2cccc(F)c2C#N)C1 335876710 FHRKYLJHEGCAMQ-CYBMUJFWSA-N 236.265 2.631 30 20 BFED CC[C@]1(C)C[C@@H]1C(=O)N1CCC(C)(C#N)CC1 335972725 JYEUGGVGGRLUGN-BXUZGUMPSA-N 234.343 2.575 30 20 BFED C=C[C@@H]1CCCCN1C(=O)c1ccc(C)n1C 336101795 LMNSYBSHZXPMDO-GFCCVEGCSA-N 232.327 2.514 30 20 BFED CN(Cc1cc(F)ccc1C#N)C(C)(C)C 336299728 RSLGNGWQUKHFJL-UHFFFAOYSA-N 220.291 2.928 30 20 BFED CC(C)[C@H]1C[C@H](NCC(C)(C)C#N)CS1 336760286 MCQCCCAPLHHRGY-WDEREUQCSA-N 226.389 2.656 30 20 BFED C=CC[C@H](CC)NC(=O)CC1(O)CCCCC1 337102060 WWFJECXGYAZYRB-LBPRGKRZSA-N 239.359 2.543 30 20 BFED Cc1cc(C)c(C#N)c(N[C@@H]2CCC[C@H]2F)n1 338833197 LMCFYAUZBLCWKX-VXGBXAGGSA-N 233.290 2.873 30 20 BFED CCC[C@@H](C#N)N(C)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 339176105 OFIUFHAJCSHDLB-XUXIUFHCSA-N 248.370 2.963 30 20 BFED C=C(C)[C@H](CC(=O)NC[C@@H]1CC1(C)C)OCC 339372467 UXILIIYFZGGTPL-RYUDHWBXSA-N 239.359 2.520 30 20 BFED C=CCC(C)(C)c1noc([C@@]2(C)CCOC2)n1 340816420 JJRZEUJUSKPFRH-ZDUSSCGKSA-N 236.315 2.601 30 20 BFED C=CC[C@H](CO)CNCc1cc2ccccc2o1 341323283 OZHJRUDCMNPGHM-LBPRGKRZSA-N 245.322 2.707 30 20 BFED C=CCn1cccc1C(=O)N(C)[C@@H]1CC[C@@H](C)C1 346926833 YRGUNIFELWUCPU-CHWSQXEVSA-N 246.354 2.935 30 20 BFED C=C(C)CCN1CC[C@@H](N2CCCC2)[C@@H]1C 347274414 ARMDCKJWVKPAAP-UONOGXRCSA-N 222.376 2.511 30 20 BFED C[C@@H](c1cccnc1)N(C)CC(C)(C)C#N 347767354 ULLRTIYPFPAKTN-NSHDSACASA-N 217.316 2.624 30 20 BFED C=CCOCCCN(Cc1ccncc1)C1CC1 348038159 SYDPYMNZDHGQFR-UHFFFAOYSA-N 246.354 2.639 30 20 BFED C=CCCc1noc([C@H](C)CC(F)F)n1 351279876 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BFED C=C(CC)CN[C@H](C(=O)OC)c1ccsc1 419269984 QEBWMIWGLCYDGM-NSHDSACASA-N 239.340 2.518 30 20 BFED C=CC[C@H](C)N[C@H]1CCc2cccnc2CC1 421843240 MINCPCXAQFQSMT-JSGCOSHPSA-N 230.355 2.883 30 20 BFED C=C(C)CN(CC)C(=O)NC[C@H](C)CC 422210407 OVVMYPSCARTTFM-LLVKDONJSA-N 212.337 2.640 30 20 BFED C=CC[C@H](Cc1ccccc1)N[C@@H](C)C[C@H](C)N 423174196 BOUPROKBKWOKHK-OFQRWUPVSA-N 246.398 2.889 30 20 BFED Cc1ccc2c(NCCCC#N)ccnc2n1 435574190 MSWCYDDAKOEAJC-UHFFFAOYSA-N 226.283 2.654 30 20 BFED C=C[C@H](C)NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 450097043 LWESPWZVCWPTNQ-WISYIIOYSA-N 209.333 2.749 30 20 BFED CCC(CC)N(CCOC)CC1(C#N)CCC1 450344816 CPKVKTVOWOYVIU-UHFFFAOYSA-N 238.375 2.817 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)N(C1CCC1)C1CCC1 452365573 NPJDYGSJGJMHHM-KGLIPLIRSA-N 249.354 2.511 30 20 BFED C=CCC[C@@H](N[C@H]1CC[C@H](CO)CC1)C1CC1 453133474 HWVRZYVDVCAJDO-BPLDGKMQSA-N 237.387 2.872 30 20 BFED C=CCC[C@H](C)NCCc1ccc(C)cn1 453410874 GWTMEKLJBKTJMR-ZDUSSCGKSA-N 218.344 2.877 30 20 BFED CC(C)CN(C)C(=O)Nc1cccc(CC#N)c1 455925566 XPEFWEWPDQXLGL-UHFFFAOYSA-N 245.326 2.872 30 20 BFED C=CCC[C@H](CC)N[C@H]1C[C@@H](OCC)C1 459631193 JOAWNSNBRNDVDU-RWMBFGLXSA-N 211.349 2.888 30 20 BFED CC(C)[C@H]1CC[C@H](C(=O)N2CC(C)(C#N)C2)CC1 482659016 SALHEPACIFQHNV-JOCQHMNTSA-N 248.370 2.821 30 20 BFED Cc1cc(CN2CCSC[C@@H]2C)ccc1C#N 488443281 GKVWASSHNFVLBV-LBPRGKRZSA-N 246.379 2.804 30 20 BFED C=CCCCCCN1CCC(O)(C(F)F)CC1 489006545 DSZLUGFVHHDSHN-UHFFFAOYSA-N 247.329 2.825 30 20 BFED C#C[C@H](CCC)NC(=O)N1CC[C@@H](C)C[C@H]1C 491645087 NGROQDZFXZALEN-JHJVBQTASA-N 236.359 2.618 30 20 BFED C#C[C@H](CC)NC(=O)c1cc(SC)ccc1C 491819994 WEZLWPDICCTHBC-LLVKDONJSA-N 247.363 2.859 30 20 BFED C=CC[C@H](C)NC(=O)/C=C\C1CCCC1 493427517 HDBYUTBDEZHAQW-JUDLJHIGSA-N 207.317 2.814 30 20 BFED Cc1nc2c(n1C[C@H](C#N)CCC#N)CCCC2 520630743 VOWYXFCJVWXTKY-LBPRGKRZSA-N 242.326 2.514 30 20 BFED C=CC1CCN(CCc2cccc(C)n2)CC1 521997295 GGEZKTGHWTYRLV-UHFFFAOYSA-N 230.355 2.831 30 20 BFED Cn1nccc1CSc1cccc(F)c1C#N 566952323 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2.968 30 20 BFED CCC(C)=NN=c1sc2ccccc2n1C 606350988 MJBONFNHMCOZAS-UHFFFAOYSA-N 233.340 2.926 30 20 BFED C=C[C@H](CC(=O)N1C[C@H]2C[C@@H]2C1)c1ccccc1 628512633 MCOFVVASLFXPGG-BPLDGKMQSA-N 241.334 2.825 30 20 BFED C=CCC1(C(=O)N2CC(F)(F)C2)CCCC1 649353665 BJNZXGKHQRCXFS-UHFFFAOYSA-N 229.270 2.600 30 20 BFED C=CCOCCNC(=O)[C@H]1CCC[C@@H]1CCC 649358061 GWHRUDFVTDGSBW-STQMWFEESA-N 239.359 2.522 30 20 BFED C=CC[C@H]1CCCN(C(=O)NCCCC)C1 656544678 SLRBKBMCUFIDME-LBPRGKRZSA-N 224.348 2.784 30 20 BFED C=CC[C@H]1CCCC[C@@H]1NCc1cocn1 657530158 NARRQXBSSQOFAS-AAEUAGOBSA-N 220.316 2.899 30 20 BFED C[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1C#N 702353470 BRPBGQKFMMTONH-GMSGAONNSA-N 234.686 2.806 30 20 BFED C[C@H](CCC#N)N1CCC2(CCCC2)C1 709995115 FUCIUQFZUMCXNO-GFCCVEGCSA-N 206.333 2.945 30 20 BFED CCOc1ccccc1C=NNC1CCCC1 727652563 LNZDUCHESREBEK-UHFFFAOYSA-N 232.327 2.951 30 20 BFED C#Cc1cccc(NC(=S)N(C)C2CCC2)c1 741874554 YUFWPXPQKXHGMJ-UHFFFAOYSA-N 244.363 2.849 30 20 BFED C#CCN(Cc1ccccc1OC)C(C)C 746155293 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C=CCCCC(=O)Nc1ccnn1CC1CC1 763794074 NRUGMHZBWVUFCE-UHFFFAOYSA-N 233.315 2.588 30 20 BFED Cc1ccc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)cn1 764907252 FVDJZFAAYDKMGA-UBHSHLNASA-N 229.327 2.502 30 20 BFED CC#CCCOC(=O)c1cccc(Cl)c1O 765504403 WHDIQFJMBQQZFX-UHFFFAOYSA-N 238.670 2.616 30 20 BFED C#CCCCN1CCCc2cc(OC)ccc2C1 766895017 ICTSNQXCZOJBHU-UHFFFAOYSA-N 243.350 2.857 30 20 BFED CC(=NN[C@H]1C[C@H]2CC[C@H]1C2)c1cncc(C)c1 767386947 XTAWPVUCDYVNDZ-YDHLFZDLSA-N 243.354 2.892 30 20 BFED C#C[C@@H](C)N(C)c1ccnc2cc(OC)ccc12 767439511 IVNKNZSVJDDVIN-LLVKDONJSA-N 240.306 2.701 30 20 BFED CON=Cc1ccc(C(C)C)c([N+](=O)[O-])c1 767492583 UFOYMYPTRZRODE-UHFFFAOYSA-N 222.244 2.699 30 20 BFED C=CCOCC(=O)OCCc1ccccc1CC 768699522 QCPDEOKNGYSIGE-UHFFFAOYSA-N 248.322 2.537 30 20 BFED CC#CCOC(=O)c1ccc(OC)c(C2CC2)c1 769481307 ZMRBCNVVUZWIHM-UHFFFAOYSA-N 244.290 2.753 30 20 BFED C#C[C@H](N[C@H](CC)[C@@H](C)CCC)[C@H]1CCCO1 775575277 VOUHOEOUEZIZSX-LJISPDSOSA-N 237.387 2.972 30 20 BFED 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OYDYHTDYHXVMGY-LLVKDONJSA-N 238.356 2.549 30 20 BFED C[C@@H]1CCCC[C@@H]1C=Nn1ccccc1=O 783859294 MBOFOEKAYCKKJK-VXGBXAGGSA-N 218.300 2.509 30 20 BFED CC[C@H](C#N)OC(=O)[C@@H](CC)OC1CCCC1 785940326 INDSGSVRPREOLG-ZYHUDNBSSA-N 239.315 2.570 30 20 BFED C#CCN(C(=O)N[C@H]1CCC[C@H](C)CC1)C1CC1 785956397 FUEYCLMGLDCHEK-STQMWFEESA-N 248.370 2.762 30 20 BFED C/C(C=NNC1CC1)=C\c1cccc([N+](=O)[O-])c1 787162196 IYJSTKZUBLZSSE-BLIMSYLVSA-N 245.282 2.736 30 20 BFED CC1(C)CCc2cc(CNCCC#N)ccc2O1 787299029 UHZFIJRCVKCCOS-UHFFFAOYSA-N 244.338 2.793 30 20 BFED C#CCCCc1nc(Cc2ccccc2C)no1 789760054 XPXKHAFBTPPZQX-UHFFFAOYSA-N 240.306 2.925 30 20 BFED CC[C@@H](C)NN=C(C)c1cccc(C#N)c1 790182460 KBDRWDYVXCPNJK-SNVBAGLBSA-N 215.300 2.670 30 20 BFED C#C[C@@H](CCC)NC(=O)c1cccc(OCC)c1 791213681 SBJUHYAWKHNMTO-ZDUSSCGKSA-N 245.322 2.617 30 20 BFED CSCCON=C(C)c1ccc2n[nH]cc2c1 794939155 WQIDUURZTQNNFQ-UHFFFAOYSA-N 249.339 2.667 30 20 BFED N#CCC1(COC(=O)[C@H]2CCC(F)(F)C2)CC1 796734793 VUVZASMBCZALKJ-VIFPVBQESA-N 243.253 2.659 30 20 BFED C#C[C@@H](C)N(C)c1ccnc2c(OC)cccc12 799323092 QEEHFDFIQYTUSP-LLVKDONJSA-N 240.306 2.701 30 20 BFED C=C(C)CCOC(=O)c1ccc(C)c(C#N)c1 799612607 MXTOTUCXUFXZNL-UHFFFAOYSA-N 229.279 2.990 30 20 BFED CC(=NNc1cccc(F)c1)c1cn(C)c(C)n1 800811182 KOMCVIAKCOAMFQ-UHFFFAOYSA-N 246.289 2.704 30 20 BFED Cc1cccnc1NN=C1CCC[C@H]2C[C@@H]12 800816129 BEHWZMIFLPICMZ-WDEREUQCSA-N 215.300 2.978 30 20 BFED CC#CC(=O)N1CC(C)(C)[C@H]1c1ccccc1 801138289 KKDOAAJRHQYLOF-CQSZACIVSA-N 227.307 2.619 30 20 BFED CCOc1cc(C)ccc1NCCO[C@H](C)C#N 802741009 LCLXOKIQGMYWGU-GFCCVEGCSA-N 248.326 2.734 30 20 BFED C=CCCCCCCNc1nccc(CO)n1 804851289 VBDTYYHXBHQPPN-UHFFFAOYSA-N 235.331 2.517 30 20 BFED C#CCCCc1nc(-c2ccc(C)o2)no1 809467980 NBTQXRYOXMDBOB-UHFFFAOYSA-N 216.240 2.594 30 20 BFED C#Cc1ccc(CN[C@@H](C)C[C@@H]2CCOC2)cc1 809627684 ZSRMBPRYUSXQQH-BBRMVZONSA-N 243.350 2.573 30 20 BFED C#CCN(Cc1ccccc1)C[C@H]1C[C@H]1C 809718604 WULRJBFFEHDGTA-UKRRQHHQSA-N 213.324 2.778 30 20 BFED Cc1nc2ccccn2c1C=NOC/C=C/Cl 811672262 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243.310 2.626 30 20 BFED C#Cc1ccc(C(=O)N(C)[C@@H](C)CCC)cc1 1331580178 LZADTVPZWSBTRZ-LBPRGKRZSA-N 229.323 2.929 30 20 BFED C=C[C@H](COC)N[C@@H]1CCCc2ccccc21 1338112508 NLOYIUYNSFPHBI-UKRRQHHQSA-N 231.339 2.855 30 20 BFED C=C1CCN(c2nc3ccccc3n2C)CC1 1347991145 YJKBPDRQLSAIEI-UHFFFAOYSA-N 227.311 2.730 30 20 BFED C=CCC1(c2nnc(COC)o2)CCCC1 1349988522 UDOXDXBDGMBCEI-UHFFFAOYSA-N 222.288 2.604 30 20 BFED C=C(C)CCC(=O)N1CCS[C@H](C(C)C)C1 1358007555 XBCIWNHDGLTEAB-LBPRGKRZSA-N 241.400 2.943 30 20 BFED CC[C@H](C#N)N(CC)C(=O)[C@@H]1CC[C@@H](C)C1 1518552488 XMWRHJJOZFGJGM-IJLUTSLNSA-N 222.332 2.573 30 20 BFED C=C[C@H](CC)CC(=O)OCc1oc(C)nc1C 1520106809 YTMOFOKNTWIWMZ-LLVKDONJSA-N 237.299 2.937 30 20 BFED C=CC[C@H](CC)NCc1ccc2c(c1)CNCC2 1574889902 RONNBACEWASPNB-INIZCTEOSA-N 244.382 2.777 30 20 BFED C=C(C)CCC(=O)Oc1cccc(C(=O)O)c1 1588559527 OXIIHGHJKHQGKE-UHFFFAOYSA-N 234.251 2.647 30 20 BFED C=CC[C@H](N[C@@H](C)c1cccc(C)c1)C(=O)O 1588752707 ZVPCXUNLCQHTML-AAEUAGOBSA-N 233.311 2.675 30 20 BFED 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248.326 2.945 30 20 BFED C[C@@H](C1CC1)N(C)Cc1cc(F)ccc1C#N 158673344 BXZSIVNEWKTBAS-JTQLQIEISA-N 232.302 2.928 30 20 BFED CCN(Cc1cc(F)ccc1C#N)C(C)C 159098810 ZAHWDJXAKRKSOG-UHFFFAOYSA-N 220.291 2.928 30 20 BFED N#CCCOc1ccc(C#N)cc1Cl 160564468 HQGWQIJPYIIATO-UHFFFAOYSA-N 206.632 2.504 30 20 BFED C=C(Cl)CN[C@@H](C)Cc1ccccc1OC 161745928 GOPDJMMBBCOVDN-NSHDSACASA-N 239.746 2.968 30 20 BFED CC#CCCNCc1cnc(C(C)(C)C)s1 163418251 KRUSHPWWQYUYGQ-UHFFFAOYSA-N 236.384 2.944 30 20 BFED Cc1nc(C)c(CNCCCCC#N)s1 164185226 NTKQKTKMKPMDDP-UHFFFAOYSA-N 223.345 2.543 30 20 BFED CC#CCn1ccc(-c2ccsc2)n1 165933477 FLAGHVBDXLFIAG-UHFFFAOYSA-N 202.282 2.635 30 20 BFED C#CCCOC(=O)[C@@H](C)CCc1ccccc1F 174058394 IDNZLNSHKCNSFP-LBPRGKRZSA-N 248.297 2.961 30 20 BFED C#CCCCNCc1cc(F)c(F)c(F)c1 174612997 FWVIVXWZIKAFRF-UHFFFAOYSA-N 227.229 2.607 30 20 BFED C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(C#N)cs2)C1 177390812 IOHVXUOLILNXDB-NXEZZACHSA-N 248.351 2.738 30 20 BFED C=CCN1CCC(N[C@H](C)c2ccc(C)o2)CC1 177913355 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N#Cc1cccc(COC(=O)C2CCC2)c1F 774908509 JVEVCRXULGITLG-UHFFFAOYSA-N 233.242 2.541 30 20 BFED C#C[C@H](N[C@@H](C)CCCC(C)C)[C@@H]1CCCO1 775574341 PEWHGYKSWOFOEY-KKUMJFAQSA-N 237.387 2.972 30 20 BFED C#CCCCCCC(=O)N1CC[C@@H](C)[C@H]1C 779926891 UOCHSMLONGLGEX-CHWSQXEVSA-N 221.344 2.827 30 20 BFED CCCc1ccc(N)c(C(=O)O[C@@H](C#N)CC)c1 781157543 FNVWFEFDQRDKPY-LLVKDONJSA-N 246.310 2.680 30 20 BFED CC[C@@H](C#N)OC(=O)CNc1c(C)cccc1C 781186040 FJNVRBVVXRUXQG-LBPRGKRZSA-N 246.310 2.561 30 20 BFED C[C@@H]1CCC[C@H](OCCCCCC(=O)NO)C1 782172102 KMMQEGSYPVCIEI-NEPJUHHUSA-N 243.347 2.648 30 20 BFED CC(=NOCc1cccnc1)[C@@]1(C)CCCO1 782255665 WFCJYKWLCLDTBC-CYBMUJFWSA-N 234.299 2.543 30 20 BFED Cc1nnc(S)n1N=C[C@H]1CCCC[C@H]1C 783798465 GYEIKDYPSKTLJR-PSASIEDQSA-N 238.360 2.535 30 20 BFED C=CCCN(C)Cc1ncc(C(C)C)o1 786447723 XZDKCXQKRCDWRF-UHFFFAOYSA-N 208.305 2.806 30 20 BFED C/C=C(/CC)C(=O)N(CCC#N)CC(C)C 788811249 BGTISRVPCHYSKC-XGICHPGQSA-N 222.332 2.741 30 20 BFED C=CC[C@@H](C)NC(=O)C1=C(CC)OCCC1 790651149 OISLLGWAOYADJL-SNVBAGLBSA-N 223.316 2.542 30 20 BFED C#C[C@H](CCC)NC(=O)/C=C(\C)C(C)(C)C 791749217 AZZSCNWIGCJERD-HCRIHEDKSA-N 221.344 2.897 30 20 BFED C[C@]1(C=NO[C@@H]2CCCCO2)CCCS1 793034969 SADZXCSJYJTAMB-GHMZBOCLSA-N 229.345 2.801 30 20 BFED N#Cc1cccc(-c2ccc3c(c2)CC(=O)N3)c1 793363347 IZVSALFNSXCDEJ-UHFFFAOYSA-N 234.258 2.720 30 20 BFED Cn1cnc(C=NN2CCC(C(C)(C)C)CC2)c1 794533737 AMZPEVYVRRBTTO-UHFFFAOYSA-N 248.374 2.512 30 20 BFED FCC[C@H]1CCCC1=NNCCc1ccncc1 794937018 FLUTVHVTWVTNSV-CYBMUJFWSA-N 249.333 2.729 30 20 BFED Fc1cccc(NN=C[C@H]2C[C@H]3C=C[C@H]2C3)n1 795009863 MQEPFRVOKVDPCL-GARJFASQSA-N 231.274 2.831 30 20 BFED C=C(C)COC(=O)[C@@H]1Cc2ccc(F)cc21 796071836 GFCIOBSTONBZPW-GFCCVEGCSA-N 220.243 2.585 30 20 BFED N#CCC1(C/N=C\c2ccccc2O)CC1 797399106 ULWWLWAHVQJFDR-DHDCSXOGSA-N 214.268 2.505 30 20 BFED C=CCOC(=O)[C@H]1CCCC(F)(F)C1 800280290 SDCIZELMEUENPL-QMMMGPOBSA-N 204.216 2.541 30 20 BFED C#C[C@H](NC(=O)Nc1cccc(C)n1)C(C)(C)C 808482073 JFCJJSBKXCAKLE-NSHDSACASA-N 245.326 2.559 30 20 BFED CC(C)(C#N)CCOC(=O)[C@H]1CCCSC1 811409126 REQABYJZBCMMRI-JTQLQIEISA-N 241.356 2.613 30 20 BFED Fc1ccccc1NN=Cc1ccco1 812459036 PGJWKKBQKAYLKM-UHFFFAOYSA-N 204.204 2.865 30 20 BFED C=CCC(C)(C)CNC(=O)[C@H](F)C(C)C 814420017 IJXPMWOAHKNCIQ-SNVBAGLBSA-N 215.312 2.699 30 20 BFED CC[C@@H](C)NN=C1CS[C@H](C(C)C)C1 814913564 QLFPTMJSOPTKQE-KOLCDFICSA-N 214.378 2.892 30 20 BFED Cc1ccc([C@@H](C)CNC(=O)C#CC(C)C)cc1 828331513 VUAGJDDZVFIRQR-AWEZNQCLSA-N 243.350 2.874 30 20 BFED C=CCCCN[C@@]1(C)CCCC[C@H]1C(=O)O 833373893 IJAZEKBATFELIX-AAEUAGOBSA-N 225.332 2.576 30 20 BFED Fc1c(C=NNC2CCCC2)ccnc1Cl 834953686 CYUZOCBIRGKQSK-UHFFFAOYSA-N 241.697 2.740 30 20 BFED Cn1nncc1NN=C1CCCC12CCCCC2 834983000 HPKVIXURCUVMFO-UHFFFAOYSA-N 247.346 2.717 30 20 BFED CC(C)ON=C1CCC[C@H](c2ccnn2C)C1 835003581 VWUFQNLMVZKPEP-NSHDSACASA-N 235.331 2.859 30 20 BFED CCOC(=O)C(C)(C)ON=C(C)CC1CC1 835005126 PLTJGOXRPXNBKF-UHFFFAOYSA-N 227.304 2.521 30 20 BFED C[C@H]1C[C@H]1C=NNCc1ccccc1F 835011717 PLBACBBMFIQBKW-ONGXEEELSA-N 206.264 2.557 30 20 BFED CC(C)=CCC/C(C)=C\C=Nn1ccnn1 835012863 YCPMGATXEYKQFA-XLIJCWFISA-N 218.304 2.805 30 20 BFED CC(C)[C@H](C#N)OC(=O)C[C@@H]1CC[C@H]2C[C@@H]12 835125612 WNCWFMZGKMSSRR-YFKTTZPYSA-N 221.300 2.514 30 20 BFED C=CCC[C@H](C)OC(=O)[C@H](CCC)OC 835269520 WNHIKHROUKSQKW-QWRGUYRKSA-N 214.305 2.699 30 20 BFED C[C@H](CCC(C)(C)C)NC(=O)C#CC1CC1 837428371 XXCCCMANUGCIHY-LLVKDONJSA-N 221.344 2.731 30 20 BFED CC(C)C[C@H](C)NC(=O)C#CC(C)(C)C 837489272 BFGBMDSNUVHEFY-NSHDSACASA-N 209.333 2.587 30 20 BFED C=CCC[C@H](C)OC(=O)[C@@]1(C)CCCCO1 838438367 YCNGFOYADIKJJU-WCQYABFASA-N 226.316 2.844 30 20 BFED C#CCC[C@@H](C)OC(=O)c1csc(C2CC2)n1 839036141 RUOZQFZTIMGYBH-SECBINFHSA-N 249.335 2.979 30 20 BFED COC(=O)Cc1ccccc1CSCCC#N 840213652 OZFYZAOHXYTLKV-UHFFFAOYSA-N 249.335 2.549 30 20 BFED C=CCCCC(=O)OC[C@@H](CC(C)C)OC 842081115 CKISMZGVYOALKV-GFCCVEGCSA-N 228.332 2.947 30 20 BFED CCC(=NN(C)[C@H](C)CO)c1ccc(CC)cc1 842543479 JJTXERSKRSBTBA-GFCCVEGCSA-N 248.370 2.676 30 20 BFED C=C(C)CONC(=O)N[C@H]1CCCC[C@H]1CC 844286293 WFBISHQDLCKNCE-NEPJUHHUSA-N 240.347 2.762 30 20 BFED CC(C)OCCNN=C1CCCCC[C@H]1C 844590841 VUNPZMRYHIXJCE-GFCCVEGCSA-N 226.364 2.957 30 20 BFED C=C(C)CONC(=O)N(CCC(C)C)C1CC1 845592237 INPJEHZNGXCRMR-UHFFFAOYSA-N 240.347 2.714 30 20 BFED C#CCCCCCC(=O)N1CCC[C@@H](F)C1 846632765 UXMYJUVQAWYMTR-GFCCVEGCSA-N 225.307 2.531 30 20 BFED C=CCCCNC(=O)/C(C)=C\c1ccco1 847006247 VRIBHDSAGRFAAM-KHPPLWFESA-N 219.284 2.765 30 20 BFED C#C[C@@H](CC)OC(=O)c1ccc(CF)cc1 850954542 ULGBWUZWOPHZEF-LBPRGKRZSA-N 220.243 2.725 30 20 BFED CC1CC(COC(=O)c2ccc(C#N)cc2)C1 851460255 AYEZMDZEXOHTLZ-UHFFFAOYSA-N 229.279 2.761 30 20 BFED C#C[C@@H](C)N(C)Cc1nsc2ccccc12 851988690 BZSMPZGLBPLPCN-SNVBAGLBSA-N 230.336 2.750 30 20 BFED C=CCNN=Cc1ccc(OCC)cc1C 853344690 RCAQUJWQUKQYAQ-UHFFFAOYSA-N 218.300 2.503 30 20 BFED C#C[C@H](CC)NC(=O)N(C(CC)CC)C1CC1 854072996 OTFFNNAVRCVSDA-LLVKDONJSA-N 236.359 2.761 30 20 BFED C=CCCONC(=O)/C=C/C1CCCCC1 856032385 NJJZVOGFNVUVAI-MDZDMXLPSA-N 223.316 2.747 30 20 BFED C=C(C)CN(CC)C(=O)c1cnc(F)cc1C 864832983 UTUTWEIBFVQPKD-UHFFFAOYSA-N 236.290 2.567 30 20 BFED N#Cc1ccc(C(=O)OCCCC2CC2)s1 869428465 SIYVWPHPVUHAHM-UHFFFAOYSA-N 235.308 2.967 30 20 BFED Cc1cc(NC(=O)C#CC(C)C)cs1 871116988 IXESTPNTFDHZIO-UHFFFAOYSA-N 207.298 2.654 30 20 BFED CCC[C@@H](CC)C(=O)O[C@H](C#N)C(C)C 873501142 KHLDKUHXVZPLFU-GHMZBOCLSA-N 211.305 2.904 30 20 BFED C#CCCCCCCNCC(C)(C)COC 877547447 XITXCDQHTYSMHZ-UHFFFAOYSA-N 225.376 2.832 30 20 BFED C=C/C=C\CCN1CCC[C@](C)(C#N)C1 878405559 HJLRHZFMYZVVGW-DSYXLKISSA-N 204.317 2.744 30 20 BFED C=C1CCC(C(=O)Nc2cnccc2OC)CC1 888597264 KEYYWNCYVDXDPM-UHFFFAOYSA-N 246.310 2.775 30 20 BFED C=C1CCC(C(=O)N[C@@H]2CSC[C@H]2C)CC1 890516799 OJGSWOVTUZGQPN-ZYHUDNBSSA-N 239.384 2.601 30 20 BFED CCCCc1cc(N2CCC[C@H](C#N)C2)ncn1 895648380 FLAIMGBAQRCACO-GFCCVEGCSA-N 244.342 2.559 30 20 BFED C#CC[C@H](CCOC)NC1CC2(CCCC2)C1 895668766 OVRFRZZIBLLZCR-CYBMUJFWSA-N 235.371 2.727 30 20 BFED C=C1CN(C(=O)C[C@H](CC)c2ccccc2)C1 898694400 HMJFPRUQMRWIJP-ZDUSSCGKSA-N 229.323 2.969 30 20 BFED N#CCCNCCC1CCC(F)(F)CC1 905678839 LTUOEUOUIAATHL-UHFFFAOYSA-N 216.275 2.705 30 20 BFED C=CCCC(=O)[C@@H]1CCCN1C(=O)C1CCCC1 908640176 WTMWOCDXGDBBLA-ZDUSSCGKSA-N 249.354 2.703 30 20 BFED C#CCN(C(=O)NCC1(C)CCCC1)C(C)C 917593112 UWYYSYXDDPTKLR-UHFFFAOYSA-N 236.359 2.620 30 20 BFED C#CCOc1ccc(CN[C@@]23CCC[C@@H]2C3)cc1 923023155 MCSYVXCEHKAGMK-GDBMZVCRSA-N 241.334 2.731 30 20 BFED CCCC[C@@H](COC)Nc1cccc(CC#N)n1 1255095925 ONMAQBCDHLOISR-ZDUSSCGKSA-N 247.342 2.765 30 20 BFED CCN(C(=O)c1ccc(CF)cc1)[C@@H](C)C#N 1261755502 HGWBWJCTLMEVJC-JTQLQIEISA-N 234.274 2.530 30 20 BFED C#Cc1ccc(NCCCC(C)(C)COC)nc1 1262696523 JCGCUCJNWQRPQD-UHFFFAOYSA-N 246.354 2.928 30 20 BFED CC[C@@H]1CCCC(=NNCC2CCOCC2)C1 1321888015 YXNXXUUJDNEENI-GFCCVEGCSA-N 238.375 2.959 30 20 BFED C=CCC[C@H]1CCCN1C(=O)[C@@H]1CCSC1 1336215069 ASAQXOUMAHTHRN-NEPJUHHUSA-N 239.384 2.697 30 20 BFED C#Cc1ccc(COC(=O)CSC(C)C)cc1 1343504877 XQTVUKUUCLNQFF-UHFFFAOYSA-N 248.347 2.853 30 20 BFED CC(C)(C)c1nnc(-c2cc(C#N)cs2)o1 1345916940 FJYXHOBPMIOYIB-UHFFFAOYSA-N 233.296 2.967 30 20 BFED C[C@@H]1SCC[C@H]1Nc1c(C#N)cccc1C#N 1349076558 OBOSRSSBKKLBNF-JOYOIKCWSA-N 243.335 2.736 30 20 BFED C=C(C)CCC(=O)N[C@@H](C)CN(C)CCCC 1353688714 MNBQEOYWZGQFFI-ZDUSSCGKSA-N 240.391 2.579 30 20 BFED Cc1sccc1NC(=O)c1cnccc1C#N 1438365829 VNQQSWVEEJGIJT-UHFFFAOYSA-N 243.291 2.576 30 20 BFED C=CCC[C@H]1CCCN1C(=O)c1cccc(N)c1 1523709270 UQZFNLOIKVCKOD-AWEZNQCLSA-N 244.338 2.840 30 20 BFED C=C(CC)C(=O)N(C)CCCOc1ccccc1 1527443081 HQGOGIVWDVNTID-UHFFFAOYSA-N 247.338 2.880 30 20 BFED C[C@H](Nc1ncc(C#N)cc1F)c1ccc[nH]1 1639733132 NXYKNOXWZPMWNE-QMMMGPOBSA-N 230.246 2.594 30 20 BFED C=CCON=Cc1ccc2oc(C(=O)O)cc2c1 1776060488 XMDVVEFMXOWNLF-UHFFFAOYSA-N 245.234 2.668 30 20 BFED C=CCC1(C(=O)O)CCN(CCC(C)C)CC1 1776160413 KPKJTVZEKLVJKI-UHFFFAOYSA-N 239.359 2.775 30 20 BFED C=CCCCN1CC2(CCC2)CC[C@@H]1C(=O)O 1776174145 LLYAZJYWPUWSSQ-GFCCVEGCSA-N 237.343 2.672 30 20 BFED N#Cc1cccnc1NCCc1ccccc1F 19517605 VKYBXSOXZIEWIE-UHFFFAOYSA-N 241.269 2.747 30 20 BFED CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(C#N)cc1 42223940 DJDVRKCNSRGODW-SWLSCSKDSA-N 244.338 2.558 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)Cc1ccccc1C 42296627 XLYUUYPGRDDWFY-LBPRGKRZSA-N 244.338 2.546 30 20 BFED CN(Cc1cccc(C#N)c1)c1ccccn1 48558184 GMVWDZNCWSOUPU-UHFFFAOYSA-N 223.279 2.590 30 20 BFED C[C@H](CC#N)NC(=O)c1ccc2ccccc2c1 50337173 GCVYYULVMAUVAZ-LLVKDONJSA-N 238.290 2.872 30 20 BFED C[C@@H](CC#N)NC(=O)C[C@H](C)CC(C)(C)C 50391183 CAUWWKSEDFVKPP-QWRGUYRKSA-N 224.348 2.867 30 20 BFED CCCCCCCc1nn(C)c(N)c1C 59100163 ZDYNYBBCYJAABF-UHFFFAOYSA-N 209.337 2.824 30 20 BFED N#CCN1CC[C@H]1c1ccc(Cl)cc1 81604414 DZNDRIZWHYNOCF-NSHDSACASA-N 206.676 2.610 30 20 BFED Cc1ccc(F)c(C(=O)N[C@@H](C#N)C(C)(C)C)c1 85431803 VTAXHPHQBQLULM-LBPRGKRZSA-N 248.301 2.802 30 20 BFED C#CCCCCN[C@@H](C)c1cncc(F)c1 90397492 BLFFKTCTXSRACK-NSHDSACASA-N 220.291 2.675 30 20 BFED C=CCN(Cc1c[nH]cn1)Cc1ccccc1F 92404596 NWXHNDQRCDGITN-UHFFFAOYSA-N 245.301 2.737 30 20 BFED C[C@H]1CCN(Cc2ccc(C#N)o2)[C@H](C)C1 92762370 OSVCUWDXHJCWLD-WDEREUQCSA-N 218.300 2.772 30 20 BFED C=CCOc1ccc(CNCc2ccon2)cc1 93305767 WRNASYOOUDSATG-UHFFFAOYSA-N 244.294 2.529 30 20 BFED CC(C)(C)CCCC(=O)N[C@@H](C#N)C1CC1 108836099 OVACAKCKBQCTAC-NSHDSACASA-N 222.332 2.621 30 20 BFED C=CC1CCN(C(=O)c2ccc(C)o2)CC1 110360865 PFDKTHOTOBUCSE-UHFFFAOYSA-N 219.284 2.626 30 20 BFED C=CC1CCN(C(=O)N[C@@H]2CCC[C@@H]2C)CC1 111495096 RARSJCJPHNPQGR-WCQYABFASA-N 236.359 2.783 30 20 BFED Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)o1 116808146 QKNUDMHXEPWGRO-IINYFYTJSA-N 246.310 2.790 30 20 BFED C=CC[C@H](C)NC(=O)CCc1cccc(OC)c1 116863273 FWPRTCIISAFTGH-LBPRGKRZSA-N 247.338 2.709 30 20 BFED CCCN(CC#N)CCO[C@@H]1CCCC[C@@H]1C 123022032 IKDGVWOKXJVRQX-UONOGXRCSA-N 238.375 2.817 30 20 BFED C=C(CNCc1cn(C)nc1C)c1ccccc1 123624646 ITETYGKFLJTNAB-UHFFFAOYSA-N 241.338 2.532 30 20 BFED N#CCCCN1CC[C@@H](Cc2ccccc2)C1 124248152 LYIPUJLOEKCJEL-HNNXBMFYSA-N 228.339 2.855 30 20 BFED C=CCN1C[C@@H](C)Oc2cc(F)ccc21 127918409 QFZFGFJGKOQIDV-SECBINFHSA-N 207.248 2.599 30 20 BFED Cc1cc(F)ccc1C(=O)NCCCCC#N 128133572 GXHGWDAGENBYDF-UHFFFAOYSA-N 234.274 2.558 30 20 BFED C[C@H]1CC[C@@H](C)C[C@H]1NCC(C)(C)C#N 129196175 PMEQBOISLCSETM-GRYCIOLGSA-N 208.349 2.950 30 20 BFED C=C[C@](C)(CC)C(=O)N1CC[C@@H](CC)C1 135109051 ZGGSKZRGXNDONN-DGCLKSJQSA-N 209.333 2.847 30 20 BFED CC[C@@](C)(C#N)C(=O)N(C)c1ccc(OC)cc1 136232808 NQXHHUYNJGOADY-AWEZNQCLSA-N 246.310 2.598 30 20 BFED CC[C@](C)(C#N)C(=O)N(C)c1cccc(C)c1 136233363 HXEKFKWNPDHLAS-CQSZACIVSA-N 230.311 2.898 30 20 BFED CCCCCCCCN=C(N(C)C)N(C)C 140641058 QLIPVEYTYVGMJM-UHFFFAOYSA-N 227.396 2.826 30 20 BFED CC(C)CC1(CNC(=O)C2(C#N)CCC2)CC1 150749754 COIXWHBPQSEGMF-UHFFFAOYSA-N 234.343 2.623 30 20 BFED C=C[C@@H](C)NC(=O)Nc1ccc(C)cc1 150835132 CMGGLRAGSFTJGK-SNVBAGLBSA-N 204.273 2.691 30 20 BFED Cc1cscc1NC(=O)C(C)(C)C#N 151202056 TYRXJDYOAJRGNT-UHFFFAOYSA-N 208.286 2.545 30 20 BFED N#Cc1ccc(N[C@H]2CCC[C@@H]3OCC[C@H]23)cc1 153254655 NNBZLOGFFKMAKQ-ILXRZTDVSA-N 242.322 2.928 30 20 BFED C=CCN(C)Cn1cnc2cc(C)c(C)cc21 155042498 VMWGPOKVNYPWBE-UHFFFAOYSA-N 229.327 2.728 30 20 BFED CC[C@@]1(C)C[C@H]1C(=O)Nc1cccc(C#N)c1 158867700 PEXFAYMCBRPNAE-JSGCOSHPSA-N 228.295 2.933 30 20 BFED CN(Cc1cc(F)ccc1C#N)CC(F)(F)F 160161162 HZCOSNATNXZMMW-UHFFFAOYSA-N 246.207 2.691 30 20 BFED Cc1cnc(CNCc2ccc(C#N)s2)s1 165234072 VXPCCUJCNZQUOZ-UHFFFAOYSA-N 249.364 2.675 30 20 BFED N#Cc1ccc(F)c(CNC(=O)C2CCCC2)c1 174398491 JRDXQLQIGDCLKH-UHFFFAOYSA-N 246.285 2.504 30 20 BFED C=CCCCC(=O)NCCN(C)c1ccccc1 175140622 ISEHUTLADKNVDW-UHFFFAOYSA-N 246.354 2.595 30 20 BFED C[C@H](CCC(C)(C)C)NC(=O)c1cc(C#N)c[nH]1 175720748 QUOVXTYQWFVCHB-SNVBAGLBSA-N 247.342 2.831 30 20 BFED C=CC[C@H](C)NC(=O)Nc1ccc(Cl)cn1 175873481 MUFZYQCOHLMKFB-QMMMGPOBSA-N 239.706 2.821 30 20 BFED CCS[C@@H](C(=O)O[C@@H](C#N)CC)C(C)C 176020415 DFQWHGQDPLFWHP-NXEZZACHSA-N 229.345 2.609 30 20 BFED CC[C@@H](C#N)NC(=O)CC[C@H](C)c1ccccc1 178798698 WQZFUWSLPYBAEX-JSGCOSHPSA-N 244.338 2.989 30 20 BFED C#CCCCCC(=O)Nc1ccc2[nH]ncc2c1 179705821 VWVYXWARGKWBGQ-UHFFFAOYSA-N 241.294 2.695 30 20 BFED C=CCNC(=O)c1ccccc1OC(F)(F)F 179856387 ZIYBXVWBYRNCAB-UHFFFAOYSA-N 245.200 2.501 30 20 BFED C=C(C)CN(C)Cc1cn(C)nc1C(C)(C)C 181043195 RUBHMHATAVIWLQ-UHFFFAOYSA-N 235.375 2.726 30 20 BFED Cc1cccc(OCc2ccc(C#N)cc2F)n1 181783049 SHBWOQBNODBVIJ-UHFFFAOYSA-N 242.253 2.980 30 20 BFED CC#CCCCC(=O)N(C)c1ccc(F)cc1 185229456 DJRPUEKOOZDDLG-UHFFFAOYSA-N 233.286 2.982 30 20 BFED CC[C@@H](C#N)Nc1cc(F)c(OC)cc1C 187028815 AOQVTYNBNMWABY-VIFPVBQESA-N 222.263 2.857 30 20 BFED CCc1ccc(C(C)(C)NC(=O)CC#N)cc1 187793484 BHFGGDGYWPAJAG-UHFFFAOYSA-N 230.311 2.514 30 20 BFED CC(C)=CC/N=C(/NCc1ccccc1)N(C)C 191149123 SANXYSBJGBGUDS-UHFFFAOYSA-N 245.370 2.660 30 20 BFED C#CCCCC(=O)Nc1ccc(C(C)=O)cc1 192031434 SUMXWDRZLCXESX-UHFFFAOYSA-N 229.279 2.631 30 20 BFED CC(C)N(CC1CCC1)C(=O)c1cc(C#N)c[nH]1 194785195 OSDTWNSYGRUOEA-UHFFFAOYSA-N 245.326 2.537 30 20 BFED C[C@H](C#N)OC(=O)/C=C\c1ccc(Cl)cc1 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30 20 BFED C[C@@H](C(=O)OCc1cc(C#N)ccc1F)C1CC1 267046841 DPKFEBZVKJYNPL-SECBINFHSA-N 247.269 2.787 30 20 BFED N#CCCCCNc1ccc(C(F)(F)F)nn1 271040941 FQFLAPGZHXVDRF-UHFFFAOYSA-N 244.220 2.601 30 20 BFED C=CCN(Cc1cc(F)ccc1C#N)C1CC1 271382476 ILCNFZRDLHKMKG-UHFFFAOYSA-N 230.286 2.848 30 20 BFED C=CCCCCNC(=O)/C=C/c1ccc[nH]1 276085475 XLOZGYGLXIPAEW-CMDGGOBGSA-N 218.300 2.500 30 20 BFED C=CC[C@@H](CC)NC(=O)CCCn1cccc1 281194818 AECPIZJZAPQZHM-CYBMUJFWSA-N 234.343 2.739 30 20 BFED C=CC[C@@H](CC)NC(=O)Nc1ccc(F)cn1 281938333 LCQURUDERYIZDU-SNVBAGLBSA-N 237.278 2.697 30 20 BFED C=CCn1c([C@@H](C)CC)nnc1N(C)CCC 282161256 CVNMQTPYRQWZLB-NSHDSACASA-N 236.363 2.824 30 20 BFED CC(C)SCCNc1ncccc1C#N 286236681 BMVAEEOFOPUCPE-UHFFFAOYSA-N 221.329 2.507 30 20 BFED C#C[C@H](C)N[C@@H](C)[C@@H](C)c1ccccc1 289662733 YRZNPMGIGGKDED-XQQFMLRXSA-N 201.313 2.790 30 20 BFED C=CCCCCCCNCc1cn(C)nc1C 290062140 HJYIIDCBAQYNAK-UHFFFAOYSA-N 235.375 2.955 30 20 BFED CN(CCc1cccs1)[C@H]1CC[C@@H](C#N)C1 292914235 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C#C[C@@H](C)NC(=O)N(C1CC1)[C@@H](C)c1ccco1 820426969 CXHVOVIEVQLBKS-MNOVXSKESA-N 246.310 2.536 30 20 BFED C#C[C@H](OC(=O)c1ncoc1C)c1ccccc1 821612828 KWYQTFHLFHHLBZ-LBPRGKRZSA-N 241.246 2.514 30 20 BFED C=CCC(C)(C)c1noc(CCCCCN)n1 823247456 FRYIKTBHLWJXFL-UHFFFAOYSA-N 237.347 2.595 30 20 BFED CCC[C@H](CC)C(=O)NCC(C)(C)CC#N 823518728 HWZCINCWQCLWMF-NSHDSACASA-N 224.348 2.869 30 20 BFED C[C@H]1CSC(SCC2(C#N)CCC2)=N1 829398130 WXYXHGDPHCTXPH-QMMMGPOBSA-N 226.370 2.905 30 20 BFED CCC(=NN[C@H](C)C(F)(F)F)c1ccco1 834998477 IGPUYSGNFMWVCR-SSDOTTSWSA-N 234.221 2.934 30 20 BFED C[C@H]1CC(=NN[C@@H]2CCOC2(C)C)CC[C@H]1C 835016248 JEVIARQXPGVLCA-NTZNESFSSA-N 238.375 2.956 30 20 BFED C=CCCCOC(=O)c1coc2c1C(=O)CCC2 835197143 HGWSWFVSHCRNPF-UHFFFAOYSA-N 248.278 2.922 30 20 BFED C=CCC[C@H](C)OC(=O)C[C@H]1C[C@H]2CC[C@H]1O2 835268020 OVXNQDXDIFXJDN-UMSGYPCISA-N 238.327 2.842 30 20 BFED C=CC(C)(C)COC(=O)c1ccnn1C(C)C 835724432 KEUGAMJEWXBPIA-UHFFFAOYSA-N 236.315 2.833 30 20 BFED C#Cc1cccc(CNC(=O)N[C@@H](C)CCC)c1 836197815 YELPKAJQBDCJCP-LBPRGKRZSA-N 244.338 2.656 30 20 BFED C=CCONC(=O)[C@H](C)CCC(C)(C)C 837047496 AWFDLKOCUOPYCE-SNVBAGLBSA-N 213.321 2.683 30 20 BFED CC(C)(CC#N)CNC(=O)C(F)=C1CCCC1 837888659 LEFWQWJKPUUFFF-UHFFFAOYSA-N 238.306 2.840 30 20 BFED C#CCC[C@H](C)OC(=O)c1scnc1CC 839036322 BDYWDMHBTUBVNA-VIFPVBQESA-N 237.324 2.664 30 20 BFED Cc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)n1C 839046583 OTIUDKKALGJXLV-NEPJUHHUSA-N 246.310 2.573 30 20 BFED C#C[C@H](CC)NC(=O)NC[C@H]1CCC[C@H]1C1CC1 840392268 HRJCHLASWWEJOA-MCIONIFRSA-N 248.370 2.524 30 20 BFED COC1(C/N=C/c2ccccc2O)CCCC1 840705344 FJQHTJCZAGYILU-XNTDXEJSSA-N 233.311 2.770 30 20 BFED Cc1ccc(N(C)C(=O)C(C)(C)C#N)c(F)c1 841328460 JHVKBTZRYGLUBH-UHFFFAOYSA-N 234.274 2.647 30 20 BFED COc1ccc(CNN=C2CCC[C@@H]3C[C@H]23)cc1 841619557 PGAUEHJZYCQFML-OCCSQVGLSA-N 244.338 2.961 30 20 BFED C=CCCCC(=O)OCCOCC1CCC1 842082367 LFGZCJVOKPIFHX-UHFFFAOYSA-N 226.316 2.703 30 20 BFED C=CCCCOC(=O)c1cnc2n1[C@H](C)CCC2 845288089 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C#C[C@](C)(CC)NC(=O)/C(C)=C(/C)CC 854700539 UQYNONZRMQQBGT-BSYHEUMXSA-N 207.317 2.651 30 20 BFED C#CCN(CC)C(=O)[C@H](CCCC)C(C)C 857145096 BEFOCUYCJPYDMB-CYBMUJFWSA-N 223.360 2.931 30 20 BFED N#CCCCCNc1nc(Cl)cs1 858391882 USYLYGHMAYHGIO-UHFFFAOYSA-N 215.709 2.902 30 20 BFED C#CCCOC(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 858905344 UNDRGDSCNFWRFR-AVGNSLFASA-N 235.327 2.562 30 20 BFED C#CCCOC(=O)N[C@H]1CCC[C@@H](C(C)C)C1 858946731 ROLGWMPCXBQPPP-OLZOCXBDSA-N 237.343 2.951 30 20 BFED CCCOC(=O)Oc1ccc(C#N)cc1F 859071443 ZJHONEXEKIIHNF-UHFFFAOYSA-N 223.203 2.623 30 20 BFED C#CCC1(OC(=O)[C@@H]2C[C@H]2c2ccco2)CCC1 860715720 CFJZDSVYYGTMCV-VXGBXAGGSA-N 244.290 2.872 30 20 BFED CC#CCOC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 869599891 WNOAGLCGKXLUSO-ZJUUUORDSA-N 248.244 2.922 30 20 BFED FC(F)(F)[C@@H]1CCCC(=NN2CCC2)C1 872397974 YOKLDSHJKQFGQA-MRVPVSSYSA-N 220.238 2.801 30 20 BFED C=CC[C@H](C)NC[C@H]1CC1(Cl)Cl 877038274 LCKXIIFVIHBBQT-JGVFFNPUSA-N 208.132 2.734 30 20 BFED C#CCCCCCCNC[C@@H](OC)C(C)C 877068262 SSCWCVUTANDVQV-CQSZACIVSA-N 225.376 2.831 30 20 BFED CCOc1cccc(F)c1CN1CC(C)(C#N)C1 877579784 BVLZPCBGMNUZPC-UHFFFAOYSA-N 248.301 2.570 30 20 BFED C=C(C)CNc1ncc(C(=O)OC)cc1Cl 882208143 HTXMKIHUQQMHAM-UHFFFAOYSA-N 240.690 2.510 30 20 BFED C=CC[C@@H](CC)NCc1cnc(F)c(C)c1 894234880 XFPRFZVZIBOCGT-GFCCVEGCSA-N 222.307 2.973 30 20 BFED CC[C@@](C)(C#N)c1nc(C2(SC)CC2)no1 896780220 AOFGIGMRZCSRGX-JTQLQIEISA-N 237.328 2.613 30 20 BFED C=C1CCC(C(=O)NOC/C=C/Cl)CC1 897806006 OVHOHXHDNHLQIL-FARCUNLSSA-N 229.707 2.533 30 20 BFED CCOc1ccc(O)c(/C=N/C/C=C/Cl)c1 899233600 KIZUGQRPHLDPQT-AZFXOEIOSA-N 239.702 2.962 30 20 BFED C/C(=C(/F)C(=O)N[C@H](C#N)CC(C)C)C1CC1 900508816 HJBORGIMJPMDFV-AWPPVZKDSA-N 238.306 2.694 30 20 BFED C/C(Cl)=C\C(=O)N[C@H](C#N)C1CCCCC1 900950450 BHHSRLLBVFSSLD-MXMFLMJRSA-N 240.734 2.718 30 20 BFED CC1(C)CCC/C(=C\c2ccc(=O)[nH]c2)C1=O 901483115 NTUIXOOPIDCNFU-DHZHZOJOSA-N 231.295 2.538 30 20 BFED C=CCC[C@@H](NCc1cn(C)cn1)c1ccco1 903351357 JZYRQIOKKBMXQC-CYBMUJFWSA-N 245.326 2.810 30 20 BFED C=C[C@@H](CC)Cc1nc(-c2ccc(O)nc2)no1 904046827 TVMSOTTZVYXSDJ-VIFPVBQESA-N 245.282 2.592 30 20 BFED C=C1CCC(C(=O)NCC(=O)C2CCCC2)CC1 913163872 GKXSHNFVPIZTLI-UHFFFAOYSA-N 249.354 2.608 30 20 BFED Clc1cncc(NN=C[C@H]2CC=CCC2)n1 914560193 QYIUPZKRBNJYNC-VIFPVBQESA-N 236.706 2.884 30 20 BFED C=CCN(C(=O)[C@H](C)Oc1ccccc1)C(C)C 914683236 MCITVDFVAUKFFO-ZDUSSCGKSA-N 247.338 2.877 30 20 BFED C#CCNC(=O)NCCCCCCC(C)C 915675832 ZPYBSUGYTMFKKF-UHFFFAOYSA-N 224.348 2.525 30 20 BFED C#CCNC(=S)Nc1cccc2ccccc12 916547306 FMVCXALZTRNJIK-UHFFFAOYSA-N 240.331 2.759 30 20 BFED C=CCN(CCOCCC(C)C)C(C)C 918021849 RCCBJNXAOKKOLR-UHFFFAOYSA-N 213.365 2.946 30 20 BFED C=CCOC(=O)[C@@H](C)Cc1ccc(F)cc1 921106455 OXDDXJVDBWVGLU-JTQLQIEISA-N 222.259 2.734 30 20 BFED C=CC[C@H](N[C@@H]1COC[C@H]1CC)c1ccncc1 925075841 RNTSDWJUKWLHJW-VHDGCEQUSA-N 246.354 2.713 30 20 BFED CCCCCCCN[C@@H]1C[C@H](C)n2ncnc21 925701474 AFFNWKSUWMKUAI-NWDGAFQWSA-N 236.363 2.844 30 20 BFED C=C1CCC(C(=O)N=S2(=O)CCCC2)CC1 925936040 HHDCCDCHSWZCAI-UHFFFAOYSA-N 241.356 2.521 30 20 BFED C=C[C@@H](CC)CC(=O)N1CCCc2ncccc21 929690201 HMOXKBUQMWJDOR-LBPRGKRZSA-N 244.338 2.963 30 20 BFED C[C@]12CN([C@@H]3CC[C@H](C#N)C3)C[C@H]1[C@H]1C=C[C@@H]2C1 933703285 DDQJQSLNCHKRCS-UGYDUONOSA-N 242.366 2.823 30 20 BFED C=C[C@H](CC)CC(=O)N1CCC(C)(OC)CC1 935234105 CKIRNCSVSMZXHO-GFCCVEGCSA-N 239.359 2.616 30 20 BFED Cc1cnc(Cl)cc1C(=O)OC(C)(C)C#N 1122719012 XTESTQOLPXZUDH-UHFFFAOYSA-N 238.674 2.502 30 20 BFED CC[C@H](C#N)N(CC)C(=O)CC1CC(F)(F)C1 1262812766 GLDKSGWLIZAJOO-SNVBAGLBSA-N 244.285 2.572 30 20 BFED C[C@@H](C#N)OC(=O)[C@@H](C)c1ccc(F)cc1F 1318953484 JJIJCBXLQQRTHY-YUMQZZPRSA-N 239.221 2.524 30 20 BFED C=C[C@@H](COC)N[C@@H](C)Cc1ccccc1F 1326033154 VXUXDWYTJNAQIQ-AAEUAGOBSA-N 237.318 2.547 30 20 BFED C[C@H]1CCCC[C@@H]1COC(=O)c1ccc(C#N)[nH]1 1327978099 LTCHAXFPMORMJK-WDEREUQCSA-N 246.310 2.869 30 20 BFED C#Cc1ccc(N2CCC(CSC)CC2)nc1 1336726136 LWBCNPBGPBSJLS-UHFFFAOYSA-N 246.379 2.642 30 20 BFED CCC[C@H](CC)C(=O)N(CC)[C@@H](C#N)CC 1337580138 FPRQEJVAUTWFSX-NWDGAFQWSA-N 224.348 2.963 30 20 BFED C=C(C)CCC(=O)N1CCC(F)(F)C[C@@H]1C 1338961858 WVKXKZNWJVVOOJ-JTQLQIEISA-N 231.286 2.989 30 20 BFED COc1cc(O)ccc1C=NOC1CCCC1 1341728184 ANBLNALASYNFHQ-UHFFFAOYSA-N 235.283 2.694 30 20 BFED C=C(C)CCC(=O)N=c1cc[nH]c(C)c1Cl 1348733059 YJHXMXAPCHXNBY-UHFFFAOYSA-N 238.718 2.760 30 20 BFED C=C(C)CON=C(C)c1c(O)cccc1F 1349817563 KBIVCOIFTBQTRP-UHFFFAOYSA-N 223.247 2.848 30 20 BFED COc1ccc(O)c(/C=N/CCCC(F)F)c1 1350683463 APBRZRJLKCXNGP-OVCLIPMQSA-N 243.253 2.865 30 20 BFED CC1(C)CN(c2ccc(C#N)cc2CO)C1(C)C 1355243541 JROCLYXVBWXPSO-UHFFFAOYSA-N 244.338 2.675 30 20 BFED C=CCCCOC(=O)CCC(=O)c1cccnc1 1357712549 METZKNMZACPBAM-UHFFFAOYSA-N 247.294 2.554 30 20 BFED CC[C@H](C#N)N(CC)C(=O)c1cc(C)oc1C 1518565486 ZBRZKTQOXSOEGJ-LLVKDONJSA-N 234.299 2.661 30 20 BFED CC[C@H]1CCN(C(=O)c2cc(C#N)cs2)[C@H]1C 1529573078 FEEMDAWJOABBGH-ONGXEEELSA-N 248.351 2.880 30 20 BFED C=CCC1(CN[C@H]2CC[C@@H](CN)C2)CCCC1 1574897705 SYYBBPTYOMKOHQ-KGLIPLIRSA-N 236.403 2.840 30 20 BFED C=CC[C@H](Sc1ccccc1OC)C(=O)O 1588757895 CLUHQWPRNSCTCT-NSHDSACASA-N 238.308 2.817 30 20 BFED C=CCCCC(=O)O[C@H]1CCCC[C@@H]1C(=O)O 1588782945 QDSVVJKHLVWDEY-QWRGUYRKSA-N 240.299 2.529 30 20 BFED C=CCON=C1CCC[C@@H](CCCC(=O)O)C1 1588868689 QHRJFGAFTSTXLG-NSHDSACASA-N 239.315 2.990 30 20 BFED CC(C)(CC=NOCc1ccccc1)C(=O)O 1609674067 KRDQHZKQXWTKLX-UHFFFAOYSA-N 235.283 2.690 30 20 BFED C=CCC(C)(C)CCNc1nc(C(=O)O)co1 1776150815 WPVOJWXCZZFFSL-UHFFFAOYSA-N 238.287 2.777 30 20 BFED N#Cc1ncnc(CCC2CCCC2)c1F 1898217888 PBXFNCYLKAJFJH-UHFFFAOYSA-N 219.263 2.610 30 20 BFED N#Cc1ccc(OC[C@@H]2CCCCO2)c(F)c1 36886814 KMJZIYKVWAGXHM-NSHDSACASA-N 235.258 2.645 30 20 BFED C=CCOc1cc(Br)ccc1C=O 37475010 XOFJBPNMAPWUSQ-UHFFFAOYSA-N 241.084 2.826 30 20 BFED C=CCNC(=O)C[C@@H](C)c1ccc(F)cc1 41130078 VJRUXOIACDMNTD-SNVBAGLBSA-N 221.275 2.622 30 20 BFED CCN(Cc1ccccc1)C(=O)C(C)(C)C#N 44318074 FHVZTKVAKRBOLR-UHFFFAOYSA-N 230.311 2.585 30 20 BFED C[C@H](CC#N)N(C)Cc1cccc(F)c1 48208985 CTCAFBVAKMROQG-SNVBAGLBSA-N 206.264 2.560 30 20 BFED N#Cc1c(Cl)cccc1NC[C@@H]1CCCO1 48935163 POZORFJKHKDWHS-VIFPVBQESA-N 236.702 2.803 30 20 BFED Cc1ncsc1CCNc1ccc(C#N)cc1 50284706 YIBYJLREDGCRAS-UHFFFAOYSA-N 243.335 2.978 30 20 BFED CC[C@@H](CC#N)N[C@H]1CCc2ccccc2C1 51631635 KWTGLXMRCYSVSR-GJZGRUSLSA-N 228.339 2.826 30 20 BFED CC(C)[C@@H](C#N)NC(=O)c1cccc(Cl)c1 57528100 PUYWUTSYXXQFRG-LLVKDONJSA-N 236.702 2.618 30 20 BFED C=C(C)COC(=O)c1ccc2ccccc2n1 57983764 CXCQLZFVYLFGKS-UHFFFAOYSA-N 227.263 2.968 30 20 BFED C#CCOC(=O)Cc1ccc(Cl)cc1Cl 58818396 LRNCCKNKWFJEJT-UHFFFAOYSA-N 243.089 2.712 30 20 BFED N#Cc1cc(N2CC[C@@H]3CCCC[C@@H]3C2)ccn1 61814986 KVGJNPDMHZCOGL-QWHCGFSZSA-N 241.338 2.970 30 20 BFED N#CCN(Cc1ccc(C#N)cc1)C1CCCC1 70216311 QMJBZKOTCXSXPS-UHFFFAOYSA-N 239.322 2.826 30 20 BFED C[C@H]1CSCCN1c1ccc(F)cc1C#N 70222499 BACUGTJACNTIMO-VIFPVBQESA-N 236.315 2.639 30 20 BFED C#Cc1cccc(NC(=O)[C@@H]2CCCS2)c1 70438632 RUMZQRMNSDLROC-LBPRGKRZSA-N 231.320 2.502 30 20 BFED CN(CCC#N)Cc1ccc2c(c1)CCC2 70498876 PVJYGQSDZMPAEV-UHFFFAOYSA-N 214.312 2.521 30 20 BFED C[C@H]1C[C@@H]1C(=O)N(CCC#N)c1ccc(F)cc1 72678592 JVUWDJPBMSSAAC-GWCFXTLKSA-N 246.285 2.728 30 20 BFED C=CCN(Cc1ccc(C#N)cc1)C(C)C 78391913 SYBQQNDBXKEMFY-UHFFFAOYSA-N 214.312 2.955 30 20 BFED CC1(C)CCN(c2cccc(C#N)n2)CC1 80119070 IUNMWWKFAPRPTQ-UHFFFAOYSA-N 215.300 2.580 30 20 BFED C=CCNc1ccc(C(=O)NC(C)C)c(C)c1 89105107 DSZJSMFLQDAXSI-UHFFFAOYSA-N 232.327 2.731 30 20 BFED CCN(CCC#N)c1ncnc2sc(C)cc12 90104568 ZGFUCWNXOFUNBD-UHFFFAOYSA-N 246.339 2.740 30 20 BFED C=CCN(CC=C)C(=O)c1cc(F)ccc1C 97000728 ADUSTDVIQNVLBG-UHFFFAOYSA-N 233.286 2.948 30 20 BFED N#Cc1cccc(C[S@@](=O)c2ccccc2)c1 107934015 NBCMRUXIAAOUGM-KRWDZBQOSA-N 241.315 2.866 30 20 BFED CC[C@H](Sc1ccccc1)C(=O)N[C@@H](C)C#N 110666876 SXELCPPUXBDINH-JQWIXIFHSA-N 248.351 2.586 30 20 BFED CCCCCCCCC(=O)N[C@H](CN)C1CC1 115064555 WRNSQDMVLDUJCS-CYBMUJFWSA-N 240.391 2.591 30 20 BFED C=CC[C@@H](C)NC(=O)CCc1ccsc1 116863617 NVGOIDHGPSCYHS-SNVBAGLBSA-N 223.341 2.762 30 20 BFED CC(C)(C#N)CCN[C@H]1CC(C)(C)OC1(C)C 119725882 QIYSGRMEAVKARO-NSHDSACASA-N 238.375 2.862 30 20 BFED CC[C@@H](C#N)NC(=O)[C@@H](C)c1cccc(C)c1 120483902 QUEDQYBJSHMYOZ-AAEUAGOBSA-N 230.311 2.517 30 20 BFED CC#CCNC(=O)C[C@H](CC)c1ccccc1 121158116 ZXYKVTHSGLNYDR-ZDUSSCGKSA-N 229.323 2.710 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccccc1CC 121548097 SVJQBUDNJFNCFX-LLVKDONJSA-N 217.312 2.943 30 20 BFED C=CCC[C@H](O)CN1CCCc2cccc(F)c21 121803462 XGOODPMSUAIAKH-ZDUSSCGKSA-N 249.329 2.905 30 20 BFED C[C@H](NCC(C)(C)C#N)c1ccc([N+](=O)[O-])cc1 122244627 KHHLOYGLBAPSHM-JTQLQIEISA-N 247.298 2.795 30 20 BFED C=C(C)CNC(=O)Nc1cccc(C(C)=O)c1 123113724 ALXLRSNYRNBKRL-UHFFFAOYSA-N 232.283 2.587 30 20 BFED Cc1cscc1CNCc1ccc(C#N)o1 135560717 KRFQUWBUCKMPPM-UHFFFAOYSA-N 232.308 2.811 30 20 BFED CC[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC)CC1 136258204 UJEWYBRSGILTNJ-GXTWGEPZSA-N 236.359 2.965 30 20 BFED C=CCNC(=S)N[C@H]1CCc2cc(C)ccc21 138777433 PNNRFRBRAFXGKH-ZDUSSCGKSA-N 246.379 2.632 30 20 BFED C=C(C)CNc1nc(C(C)(C)C)ns1 153418239 ANDZEIBWFUZTQX-UHFFFAOYSA-N 211.334 2.824 30 20 BFED C[C@H](O)CN(CCC(C)(C)C#N)c1ccccc1 157896925 ZGYSXWXKXWDPNJ-ZDUSSCGKSA-N 246.354 2.814 30 20 BFED C[C@@H](CC#N)N(C)C(=O)CCC(C)(C)C 158881957 IOQOOYUWKVVYRR-JTQLQIEISA-N 210.321 2.573 30 20 BFED CC#CCCOc1ccc(C(=O)O)cc1Cl 161024139 XNGXJRABIRXMAL-UHFFFAOYSA-N 238.670 2.830 30 20 BFED C[C@H](C#N)NC(=O)C[C@@H](C)C1CCCCC1 161388820 ULUJZXWIPAFQEO-GHMZBOCLSA-N 222.332 2.621 30 20 BFED C=CCN(C)C(=O)[C@@H](C)c1cccc(F)c1 161397297 FPOPEVJOOMRHPE-JTQLQIEISA-N 221.275 2.574 30 20 BFED C[C@@H](CC#N)N(C)CC#Cc1ccc(Cl)cc1 161932157 YVGXARIADQZQQK-LBPRGKRZSA-N 246.741 2.925 30 20 BFED C#CCCCOC(=O)c1ccnc2ccccc12 162030908 PBYQDUXRMXFSGB-UHFFFAOYSA-N 239.274 2.805 30 20 BFED CC[C@H](CC#N)NC(=O)c1sccc1Cl 162965995 VJPOIEHOSIVULN-SSDOTTSWSA-N 242.731 2.824 30 20 BFED CC[C@@H](C)c1cc(C(=O)N(C)[C@H](C)CC#N)on1 163846886 BMXJDGWIXSMWEY-NXEZZACHSA-N 249.314 2.562 30 20 BFED C=CCCNc1cccc(F)c1C(=O)O 168950630 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20 BFED CC[C@@H](CC#N)NC(=O)C[C@H]1C=CCCC1 187613908 KJGVXENFBZMCSM-RYUDHWBXSA-N 220.316 2.541 30 20 BFED C[C@@H](C#N)SCCN(C)Cc1ccccc1 193626911 MJXXMFJXMJSTFQ-LBPRGKRZSA-N 234.368 2.764 30 20 BFED Cc1cnc(CN[C@H](C)c2ccc(C#N)cc2)o1 223665403 NRUCKJYJASGJAB-LLVKDONJSA-N 241.294 2.706 30 20 BFED CC1(C)CCC[C@H]1C(=O)N1CCC(C#N)CC1 228842961 CBTIKFSGFUEILH-LBPRGKRZSA-N 234.343 2.575 30 20 BFED CC#CCCNC1CCN(c2ccccc2)CC1 229604544 ODNPUNJXWDUEMO-UHFFFAOYSA-N 242.366 2.658 30 20 BFED N#Cc1ccc(NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1 245467245 RVGYRUCELGUHID-WDNDVIMCSA-N 240.306 2.933 30 20 BFED C=CC[C@H](C)NC(=O)NCCSC(C)(C)C 265282360 IPRGCYDRFYMPLU-JTQLQIEISA-N 244.404 2.782 30 20 BFED C[C@@]1(CNc2ccc(C#N)cc2)CCCC[C@@H]1O 267041795 CSIHQWHTTXLBLQ-GJZGRUSLSA-N 244.338 2.911 30 20 BFED C=C1CCN(Cc2cnccc2C)CC1 269506950 ZHRWCYVRWQHXEI-UHFFFAOYSA-N 202.301 2.542 30 20 BFED C=CCN(Cc1cc(C#N)ccc1F)C1CC1 271446396 NJVZEGQQXAEKHL-UHFFFAOYSA-N 230.286 2.848 30 20 BFED C=CCN(CCc1ccco1)Cc1cscn1 272277515 MHLFRGDPOJEIGR-UHFFFAOYSA-N 248.351 2.967 30 20 BFED C=CCN(CC=C)C(=O)[C@@H](C)[C@@H](C)CC 272485982 RLWXVRHHBSEGSZ-RYUDHWBXSA-N 209.333 2.869 30 20 BFED Cc1cccc(N2CCC(C#N)CC2)c1[N+](=O)[O-] 275513616 VGBYQFCPFGTOAZ-UHFFFAOYSA-N 245.282 2.643 30 20 BFED Cc1cscc1NCc1cc(C#N)n(C)c1 276633064 ORVDPJFKUVSRFX-UHFFFAOYSA-N 231.324 2.879 30 20 BFED Cc1oc(C#N)cc1C(=O)N[C@@H]1CCC[C@H](C)C1 280559919 KFKYRDDGVIHIRC-GXSJLCMTSA-N 246.310 2.768 30 20 BFED N#CCCCN[C@@H](c1cncc(F)c1)C1CC1 281625387 NYNQGALLCIXHSQ-CYBMUJFWSA-N 233.290 2.565 30 20 BFED C=CC[C@H](CC)NC(=O)c1coc(CCC)n1 281832586 WJUPQFKERAGBRE-JTQLQIEISA-N 236.315 2.712 30 20 BFED C#C[C@@H](NC(=O)c1ccccc1Cl)C(C)C 282048173 MCVUQIQEZGAPRH-GFCCVEGCSA-N 235.714 2.728 30 20 BFED C=CCCCCNC(=O)NCCCSCC 283348890 BIHOAAQQGIAVSF-UHFFFAOYSA-N 244.404 2.785 30 20 BFED C=CCC[C@@H](CCC)NCc1cc(C)nn1C 284545750 XQQCJHANOYXTBD-CYBMUJFWSA-N 235.375 2.953 30 20 BFED C=CCC[C@H](C)N[C@H]1CCO[C@@H]1c1cccnc1 284577253 JCFWDMWXYSVLGM-AEGPPILISA-N 246.354 2.856 30 20 BFED C=CCCCC(=O)Nc1cc2n(n1)CCCC2 286544966 JBPQEUXZECJECM-UHFFFAOYSA-N 233.315 2.514 30 20 BFED C=CCC(CC=C)C(=O)N[C@@H](C)C(F)(F)F 288558546 IWSMKABTDSESOM-QMMMGPOBSA-N 235.249 2.822 30 20 BFED CCN(C(=O)Nc1ccc(C#N)c(F)c1)C1CC1 289595904 CJIRIPWISQPKSK-UHFFFAOYSA-N 247.273 2.714 30 20 BFED C#Cc1ccc(CN2CCCO[C@@H](CC)C2)cc1 289727534 OTENPIXZUJJZBJ-INIZCTEOSA-N 243.350 2.669 30 20 BFED C=CC[C@@H](CC)Nc1ncc(C)c(C)n1 291190104 SRILMBBCTWZNPJ-LLVKDONJSA-N 205.305 2.860 30 20 BFED COCC(C)(C)CNc1nc(C)cc(C)c1C#N 291752406 FWZAVIHIKZMMEG-UHFFFAOYSA-N 247.342 2.655 30 20 BFED CCc1cc(C#N)ccc1OC(=O)CCCC#N 292425120 UFVMEHZALRJHIU-UHFFFAOYSA-N 242.278 2.720 30 20 BFED C=CCOCCSc1ccncc1C 292833754 QUDBBKKMWBUYPY-UHFFFAOYSA-N 209.314 2.685 30 20 BFED CC(C)[C@H]1N(c2ccc(C#N)cn2)CC1(C)C 292843534 VLZJFLUKXVKMGA-CYBMUJFWSA-N 229.327 2.824 30 20 BFED C=CCC(C)(C)CNC(=O)c1cc[nH]c1C 293797296 PDVLSTXWLCNPRM-UHFFFAOYSA-N 220.316 2.655 30 20 BFED C=CC(C)(C)C(=O)N(C)Cc1scnc1C 294441445 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Cc1cccc(C(=O)NCC(C)(C)CC#N)c1C 315817769 SBMQPFZWYXKJGT-UHFFFAOYSA-N 244.338 2.973 30 20 BFED N#C[C@]1(C(=O)NCC2CCCC2)CC12CCCC2 333175319 LIHJDJDWHDXIOI-HNNXBMFYSA-N 246.354 2.767 30 20 BFED C=CC(C)(C)C(=O)N1CCc2c(C#N)cccc21 335241933 SKPPRBHTVTXUCV-UHFFFAOYSA-N 240.306 2.660 30 20 BFED N#Cc1ccsc1C(=O)NCC1CCCC1 335721276 WUXYYSFVHOPJPC-UHFFFAOYSA-N 234.324 2.540 30 20 BFED C=C(C)[C@H](CC(=O)N[C@@H]1CCC[C@H]1C)OCC 337164379 WSQQZPSVUCMELK-UPJWGTAASA-N 239.359 2.663 30 20 BFED CC[C@H]1CCCN1C(=O)c1cccc(C#N)c1C 338119486 OQLUUAQFIXMSPJ-ZDUSSCGKSA-N 242.322 2.881 30 20 BFED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@H]1F 338824023 KFFIDRCEPFBVBW-ZYHUDNBSSA-N 249.245 2.769 30 20 BFED C=CCOCCN1Cc2ccc(C)cc2C1 339147661 JPZWAIVHJGBLFH-UHFFFAOYSA-N 217.312 2.513 30 20 BFED CCC[C@H](C#N)N(C)C(=O)c1ccc(C)s1 339175228 VVYFFIQWGDUTBB-SNVBAGLBSA-N 236.340 2.821 30 20 BFED C=C(C)[C@H](CC(=O)N(C)[C@@H](C)CC)OCC 339192999 NFSONGOWHZITKO-RYUDHWBXSA-N 227.348 2.615 30 20 BFED C=CCN(CC=C)C(=O)[C@@H]1C[C@]1(C)CC 341450588 DWGLUHJTKXDIJU-AAEUAGOBSA-N 207.317 2.623 30 20 BFED C=CC[C@H](CC)N[C@H](C)Cc1cccc(OC)n1 343475187 XTMSMROQZUQRSH-OLZOCXBDSA-N 248.370 2.966 30 20 BFED C=C(CC)CN1CCN(C)C[C@H]1c1ccccc1 343661077 KUQSJVMKHBZMGA-INIZCTEOSA-N 244.382 2.941 30 20 BFED CC(C)N(Cc1ccccc1F)C(=O)[C@H](C)C#N 344873396 AHXLXDCNLPCXIL-LLVKDONJSA-N 248.301 2.722 30 20 BFED C=CC[C@H](CC)NC(=O)NCC1(C(F)F)CC1 350829048 MIHXOGBVODWKRG-VIFPVBQESA-N 246.301 2.686 30 20 BFED C=CCC[C@H](O)CN(C)Cc1sccc1C 351619562 MNENXCZEDXWIGV-LBPRGKRZSA-N 239.384 2.815 30 20 BFED CC(C)(C)NC(=O)C[C@H](CC#N)c1ccccc1 354125060 PYUCKAKAWABKIR-ZDUSSCGKSA-N 244.338 2.989 30 20 BFED C=CCOCC(=O)N1CC[C@@H](C)c2ccccc21 354619670 VGWYCZBOTUJEFM-GFCCVEGCSA-N 245.322 2.729 30 20 BFED C[C@@H](C1CCC1)N(C)C(=O)CC(C)(C)C#N 355603592 RYIVGZOGVGVWKQ-JTQLQIEISA-N 222.332 2.573 30 20 BFED C=CCOCCCOc1cccc(F)c1C#N 355971336 ODESCKJSDFEAIZ-UHFFFAOYSA-N 235.258 2.669 30 20 BFED CCCC[C@H](C)N(C)C(=O)c1cnccc1C#N 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C=CC[C@H](CC)NC(=O)C#Cc1cccs1 831728711 IYJHLTKQTCXPKE-NSHDSACASA-N 233.336 2.571 30 20 BFED C=CCCCCNC(=O)Nc1cccnc1F 832063277 IGKLZDGHOLKPOE-UHFFFAOYSA-N 237.278 2.699 30 20 BFED C[C@H]1CC(=NNCCCc2ccccc2)[C@@H](C)O1 834957282 WYCZXYPUGVCHKX-QWHCGFSZSA-N 246.354 2.762 30 20 BFED C[C@H](NN=C1CCC(C)(C#N)CC1)C(F)(F)F 834999516 VHIODGZHONDHKU-PEHGTWAWSA-N 247.264 2.987 30 20 BFED COc1cc(C)cc2c1OCCC2=NOC(C)C 835004152 IBWDAWWXUQNMKL-UHFFFAOYSA-N 249.310 2.915 30 20 BFED C#CCNN=C1CCC[C@H](CC(C)C)C1 835007788 BIUNHOBXSLOMAZ-GFCCVEGCSA-N 206.333 2.802 30 20 BFED C[C@@H](OC(=O)CC1CC(F)(F)C1)C(C)(C)C#N 835244996 MEAJGPCOULWWPF-MRVPVSSYSA-N 245.269 2.903 30 20 BFED CCc1cccc(C(=O)O[C@H](C)C(C)(C)C#N)n1 835245091 MVVRYNFBNAMHOW-SNVBAGLBSA-N 246.310 2.739 30 20 BFED C=C(CC)COC(=O)CCc1ccncc1 835662622 QUARZQDJBIKIEN-UHFFFAOYSA-N 219.284 2.524 30 20 BFED C=C(Cl)CN[C@@H](C)[C@](C)(OC)C1CC1 839638426 IPBXPRYZACBLNY-ONGXEEELSA-N 217.740 2.532 30 20 BFED Cc1cc(NOCC(C)C)c(C#N)cc1[N+](=O)[O-] 840279836 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847112247 APUPFPUTEDVEQR-HNNXBMFYSA-N 241.334 2.952 30 20 BFED C=CCN(C(=O)N1CCCC[C@H]1C)C(C)C 848428348 ACSLGIUOKWQCNW-GFCCVEGCSA-N 224.348 2.877 30 20 BFED C#CCN(Cc1cccc(F)n1)C1CCCCC1 851738128 WIVQICOTKFSVLD-UHFFFAOYSA-N 246.329 2.989 30 20 BFED C#CCN(C)CC[C@H]1CCc2ccccc21 851977781 GLGRXFJBKQBFHY-CQSZACIVSA-N 213.324 2.672 30 20 BFED C#C[C@](C)(CC)NCc1nc(CCC(C)C)no1 852099404 LKMVJZDZMBANOM-CQSZACIVSA-N 249.358 2.550 30 20 BFED C[C@@H]1O[C@H](C)CC1=NNc1ccc(Cl)cn1 853435354 NZLWKGKOLZCXRG-SFYZADRCSA-N 239.706 2.700 30 20 BFED CO[C@](C)(C=NOCC1CCC1)C1CC1 853440424 CQHHICXBDUEIKS-GFCCVEGCSA-N 211.305 2.604 30 20 BFED C#C[C@@](C)(CC)NC(=O)c1cc(C(C)(C)C)on1 854697447 CIOVUWUXPCYUKE-AWEZNQCLSA-N 248.326 2.504 30 20 BFED CC(C)C#CC(=O)N[C@]1(C)CCCC[C@H]1C 854904208 PWVKHLHJZXBLAU-TZMCWYRMSA-N 221.344 2.731 30 20 BFED O=C(C#Cc1cccs1)NCCCC1CCC1 855803369 OPLMXBNQUZFXHK-UHFFFAOYSA-N 247.363 2.796 30 20 BFED CCCC[C@](C)(F)C(=O)Nc1ccc(C#N)cn1 857584514 MNNBKPLSYGFUHE-ZDUSSCGKSA-N 249.289 2.810 30 20 BFED CC(C)[C@@H]1CCN1C(=O)Nc1sccc1C#N 864261858 WZSIGYPPSGVAPM-JTQLQIEISA-N 249.339 2.882 30 20 BFED C=CC[C@@H](C)[C@H](C)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2 873259492 FXTYAQKTBHYHTE-QKGCVVFFSA-N 236.403 2.707 30 20 BFED C[C@H](CCC#N)CNCc1ccc(N(C)C)cc1 876906412 YYNRCMHNAVTIPM-CYBMUJFWSA-N 245.370 2.782 30 20 BFED C=C/C=C\CCNC(=O)N1CCCC[C@H]1C=C 883916508 VYXOJBJUDBOZSH-CFHLNLSMSA-N 234.343 2.869 30 20 BFED C=C(Cl)CN[C@@H](C)c1c(O)cccc1F 886547172 GLJDZKHEZINLAN-QMMMGPOBSA-N 229.682 2.934 30 20 BFED O=[N+]([O-])c1ccc(O)c(/C=N\C[C@H]2C=CCC2)c1 887268882 XGXCMPIUJCPPFM-ADVUTCEVSA-N 246.266 2.686 30 20 BFED C=C1CCC(C(=O)N(C)CCCCOC)CC1 891851453 CVITUGXIOPADKJ-UHFFFAOYSA-N 239.359 2.618 30 20 BFED C[C@H](C(=O)Nc1ncc(C#N)s1)C1CCCC1 896485088 RYGPIUHRWGKREU-QMMMGPOBSA-N 249.339 2.780 30 20 BFED C#Cc1ccc(NC[C@](C)(CC)OC)cc1 898497762 CDOYAYQJMKBCFA-AWEZNQCLSA-N 217.312 2.895 30 20 BFED C=C1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 898699626 OOEDZLZBIUANIZ-BFHYXJOUSA-N 233.355 2.991 30 20 BFED C=CC[C@H]1CC[C@@H](NCCC(C)(C)C(=O)O)C1 901480842 HOYAJXYGKTZGDR-NWDGAFQWSA-N 239.359 2.822 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1nc(C)cc(C)n1 901758927 PSEVNUODABKXTI-NSHDSACASA-N 233.315 2.634 30 20 BFED CCc1cccc(OCCON=C(C)C(C)=O)c1 902760186 MKFAEKGOEZFBOA-UHFFFAOYSA-N 249.310 2.609 30 20 BFED C=CCC[C@@H](CCC)NC[C@@H](CC)C(=O)O 903710454 VWUPYOPOGLXKQC-VXGBXAGGSA-N 227.348 2.822 30 20 BFED C=CCCCN(C)c1cccc(CC(=O)O)c1 903952129 LENUVYOCSCGFOG-UHFFFAOYSA-N 233.311 2.716 30 20 BFED C[C@H]1C[C@H](C)CN(C(=O)c2ccsc2C#N)C1 905042508 FHLKDPQIQCOYLZ-UWVGGRQHSA-N 248.351 2.738 30 20 BFED C=CC[C@H](CC)N[C@@H](C(=O)OC)[C@H](C)CC 905765006 XDAUFMYMUKBOTJ-GRYCIOLGSA-N 227.348 2.518 30 20 BFED C=CCCC(=O)[C@H]1CCCN1C(=O)/C=C/C=C\C 908639104 OEKLPDDGXIQGJG-ZWRBZKGXSA-N 247.338 2.645 30 20 BFED N#Cc1ccnc(COC(=O)C2CCCCC2)c1 908695634 SFPDRJOZZZUIER-UHFFFAOYSA-N 244.294 2.577 30 20 BFED C=CC(C)(C)C(=O)OCc1cc(C)cc(C)n1 909357195 VSTABEHVYOXTSP-UHFFFAOYSA-N 233.311 2.954 30 20 BFED N#CCCCOC(=O)c1cc2cc(F)ccc2[nH]1 913259523 WQUHRKCKMOTDRR-UHFFFAOYSA-N 246.241 2.768 30 20 BFED CCCNN=Cc1cn[nH]c1-c1ccc(C)cc1 915965756 YVHUUGTZRWACDM-UHFFFAOYSA-N 242.326 2.719 30 20 BFED Oc1cccc(C=Nc2cccc(F)c2)c1O 920945799 FBXWQZQGOCCNER-UHFFFAOYSA-N 231.226 2.988 30 20 BFED Cc1ccc(C#N)cc1-c1nc(C2CC2)no1 923801422 MSSRDMSAQLVQTE-UHFFFAOYSA-N 225.251 2.794 30 20 BFED C=C(C)COC(=O)[C@H]1CCO[C@H](C(C)C)C1 924309670 LNDBAOJWBMZPGP-RYUDHWBXSA-N 226.316 2.557 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)C1(Cl)CC1 926343636 QRXKJQWFZMWHNZ-TUAOUCFPSA-N 243.778 2.717 30 20 BFED C#CCN(C(=O)[C@H](F)c1ccccc1)C(C)C 928625711 AOROFFFXQWDFMP-CYBMUJFWSA-N 233.286 2.567 30 20 BFED C=C1CN(C(=O)Nc2ccc(OC(C)C)cc2)C1 929737743 KRZHFTMLYOBTOD-UHFFFAOYSA-N 246.310 2.878 30 20 BFED C=C[C@@H](C)NC(=O)N[C@](C)(CC)C(F)(F)F 933527568 PRFKSFMYDJIELG-VXNVDRBHSA-N 238.253 2.591 30 20 BFED C=CCCN(C)C(=O)Nc1noc2c1CCCC2 934354383 VSPUUSZBIVKFBW-UHFFFAOYSA-N 249.314 2.593 30 20 BFED C=CCCCCNC(=O)c1cc2cnccc2[nH]1 935439339 YTWBHNCAUPUNOA-UHFFFAOYSA-N 243.310 2.649 30 20 BFED N#C[C@@]1(F)CCN([C@H]2CCc3c(F)cccc32)C1 1116738717 BVEYVOAGTWDUKU-KBPBESRZSA-N 248.276 2.751 30 20 BFED Cc1nnn(N=C[C@H](C)C2CCCCC2)c1C 1119298262 BSRHDBQAQKEYEW-JTQLQIEISA-N 234.347 2.945 30 20 BFED C=C(C)CN(C)C(=O)N[C@H](C)c1ncccc1C 1122392030 QJKVCJAPFGEAFT-GFCCVEGCSA-N 247.342 2.669 30 20 BFED Cc1cc(OCc2ccccc2C#N)ccn1 1321132892 DMUMYXFVDFMTFM-UHFFFAOYSA-N 224.263 2.841 30 20 BFED CC[C@@H](C)c1nnc(C2(C#N)CCCC2)o1 1322499143 UNHPDNFCDHBJGK-SECBINFHSA-N 219.288 2.918 30 20 BFED CCC(=NNC(=S)NC(C)C)[C@H]1CC1(C)C 1325297877 JUUUZJZIGIACAJ-SECBINFHSA-N 241.404 2.671 30 20 BFED CCC(=NNC(=S)NC(C)C)C1CCCC1 1328092049 SQIQIWZDKWLOSJ-UHFFFAOYSA-N 241.404 2.815 30 20 BFED C=CCCCC[C@H](C)N[C@@H](CC=C)C(=O)O 1334776618 GVALWNQIBPADMB-RYUDHWBXSA-N 225.332 2.740 30 20 BFED C=C(CC)C(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1 1349403196 GVQNGUNFFDDXJO-OLZOCXBDSA-N 239.359 2.663 30 20 BFED CC(C)(C)C#CC(=O)NCCCc1ccsc1 1529294022 MATTXQSMXLOEJI-UHFFFAOYSA-N 249.379 2.846 30 20 BFED CCCCCCC[C@H](C)CNC(=O)CC(=O)O 1595704848 JOHZAEPGXVNJJX-NSHDSACASA-N 243.347 2.574 30 20 BFED C=CCNC(=O)CCCCc1ccc(OC)cc1 40644809 RAQWOJNDJXPCMA-UHFFFAOYSA-N 247.338 2.710 30 20 BFED C[C@@H](C#N)CN(C)Cc1ccc(Cl)s1 42207621 VNVUWSVGGLVHBG-QMMMGPOBSA-N 228.748 2.993 30 20 BFED C[C@@H](N(C)c1ncccc1C#N)C(C)(C)C 42780453 RNQRWNDXHGCTRQ-SNVBAGLBSA-N 217.316 2.824 30 20 BFED CCCC[C@@H](CC)C(=O)NCCCC#N 54137922 AQZOFGJUTDDYKG-LLVKDONJSA-N 210.321 2.623 30 20 BFED C=C(C)CNC(=S)N[C@@H]1CCCC[C@H]1C 57434866 NZOZNCKCLXOJSK-GHMZBOCLSA-N 226.389 2.605 30 20 BFED C#Cc1cccc(NC(=O)N[C@@H](C)CSC)c1 77186792 OMOBZUUPNQWZOU-JTQLQIEISA-N 248.351 2.541 30 20 BFED C=C(C)COc1nnc(-c2ccccc2)o1 78392847 NKLANACOINBMAC-UHFFFAOYSA-N 216.240 2.692 30 20 BFED CC[C@H](C#N)OC(=O)/C=C/c1cccs1 84711956 FBPQOWQXINTFCP-VUHVRTRXSA-N 221.281 2.607 30 20 BFED C=CCC[C@H](NCc1cnn(C)c1C)C1CC1 90887867 GFRDQSKBSNCVEM-AWEZNQCLSA-N 233.359 2.563 30 20 BFED C[C@@H](CC#N)N(C)c1ncnc2ccc(F)cc12 92663234 CLMGVVAPHLIUMW-VIFPVBQESA-N 244.273 2.507 30 20 BFED CC[C@H](CCO)CN[C@H](C)c1ccc(C#N)cc1 94948480 PKHGWFHDTQIFGU-CHWSQXEVSA-N 246.354 2.617 30 20 BFED Cc1cccc(CC(=O)N[C@@](C)(C#N)C(C)C)c1 102639442 AOHHAAYUDQGMOS-HNNXBMFYSA-N 244.338 2.592 30 20 BFED C=CCCC(=O)N(CCC#N)CCC(C)C 103440049 LCJYWSXZYPOXQI-UHFFFAOYSA-N 222.332 2.741 30 20 BFED C=CC[C@@H](C)[C@@H](C)N[C@H]1CC[C@@H](CO)CC1 120201912 CUKIUCQAAILSAI-AAVRWANBSA-N 225.376 2.728 30 20 BFED CC#CCNC(=O)c1csc2ccccc12 121200684 AJIPDTNZCPCXAX-UHFFFAOYSA-N 229.304 2.654 30 20 BFED C#C[C@H](C)NCc1ccc(OCCCC)cc1 123020923 JJYKWHYTWIYEHW-ZDUSSCGKSA-N 231.339 2.977 30 20 BFED C=CC[C@H](C)NC(=O)c1cnn(CCCC)c1C 123731705 FCYZTMXFCWGYSP-NSHDSACASA-N 249.358 2.686 30 20 BFED N#Cc1ncccc1NCCCc1ccccc1 129891229 NHSVXWRDCAJWPI-UHFFFAOYSA-N 237.306 2.998 30 20 BFED CC(C)(CCC#N)CNCc1ccccc1O 135171088 PYFPSLDGWRCORR-UHFFFAOYSA-N 232.327 2.812 30 20 BFED C=CCNC(=O)N[C@H]1CCCc2sccc21 143878090 CJUCNJZSLPTKTL-JTQLQIEISA-N 236.340 2.611 30 20 BFED C=CCC(CC=C)C(=O)O[C@@H]1CCC[C@H]1OC 151504694 AYIDEHWBFDLTML-CHWSQXEVSA-N 238.327 2.866 30 20 BFED C=CCN(C)C(=O)N[C@@H](CC)Cc1ccccc1 154423320 MNIPBIAIAZHHCQ-AWEZNQCLSA-N 246.354 2.835 30 20 BFED CCSCC[C@H](C)NC(=O)[C@@](C)(C#N)CC 160234905 KBLNNJYBUUTDFK-CMPLNLGQSA-N 242.388 2.574 30 20 BFED C=C(C)CNC(=O)Cc1c[nH]c2ccc(F)cc12 161034266 DTHNTJTYIQTYFJ-UHFFFAOYSA-N 246.285 2.542 30 20 BFED C#CCCCOc1cc(Cl)ccc1C(=O)O 163029303 RNRFGFYGOSXZLZ-UHFFFAOYSA-N 238.670 2.830 30 20 BFED C=CCCC(=O)Nc1cnn(CCCC)c1C 163113461 ZVXJDLOUHNIEGP-UHFFFAOYSA-N 235.331 2.896 30 20 BFED CC[C@H](C)CC(=O)N(C)Cc1cccc(C#N)c1 167406198 YKLFSERIDRBOQT-LBPRGKRZSA-N 244.338 2.953 30 20 BFED C=CC[C@@H](C)N[C@H](C)Cc1ccc(O)cc1 169119447 NLZMIELPAKWHIK-VXGBXAGGSA-N 219.328 2.877 30 20 BFED CCN(Cc1cccc(C#N)c1)CC(F)F 171991152 QSPSHDQAZQRDFU-UHFFFAOYSA-N 224.254 2.645 30 20 BFED C[C@H]1CCCN1c1snc(Cl)c1C#N 172810941 BHNARGVZHZAZOE-LURJTMIESA-N 227.720 2.657 30 20 BFED C=CCCO[C@H](C)C(=O)N(C)[C@H](C)C1(C)CC1 175604616 JMNIWVRNFSZZTP-VXGBXAGGSA-N 239.359 2.615 30 20 BFED CCN(C[C@H](C)C#N)C(=O)c1oc(C)cc1C 176026831 ZHMGMNRWDQVTQG-SECBINFHSA-N 234.299 2.518 30 20 BFED C=CCCC[C@@H](C)NC(=O)COC(C)(C)C 180039639 GKBZPRUSZYXQMT-LLVKDONJSA-N 227.348 2.663 30 20 BFED C=CCCOc1ccc(C(C)(C)O)cc1 180426805 BHAMMLAHRULFMT-UHFFFAOYSA-N 206.285 2.869 30 20 BFED C=C(C)CN(C)Cc1cc(C)ccc1O 181052054 PCPMLZPAUVQWQO-UHFFFAOYSA-N 205.301 2.709 30 20 BFED CC(C)CCC[C@@H](C)NC(=O)c1c[nH]c(C#N)c1 181150710 LAIHNWJHBGHBIQ-LLVKDONJSA-N 247.342 2.831 30 20 BFED C=C(C)CN(C)C(=O)N[C@@H](C)c1cccc(O)c1 182856469 WBIDWNNCOCTUBF-NSHDSACASA-N 248.326 2.671 30 20 BFED C#CCCOC(=O)c1cc(C)nc2ccccc12 183121094 UYYXPMZZZVSVFB-UHFFFAOYSA-N 239.274 2.723 30 20 BFED CCC[C@@H](C(=O)N[C@@H](CC)CC#N)C(C)C 183788696 DLMSTLSPROZPFH-NWDGAFQWSA-N 224.348 2.867 30 20 BFED COC[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccco1 192925158 KLOOTSBXJKNFIB-RWMBFGLXSA-N 248.326 2.639 30 20 BFED COC(=O)[C@]1(C(C)C)O[C@]12CCCC[C@@H]2C 220853650 GBCGNDKJFJNHCA-DRZSPHRISA-N 226.316 2.533 30 20 BFED CCCCCCC[C@@H](C)NCC(F)(F)CO 231901606 VETUCFPZVJWHOX-LLVKDONJSA-N 237.334 2.953 30 20 BFED C[C@H]1CCC[C@H](CCNc2nccc(C#N)n2)C1 231902194 BMRHSJSPGAFHGY-NWDGAFQWSA-N 244.342 2.977 30 20 BFED C#C[C@H](CC)NC(=O)c1c(F)cccc1Cl 234051866 RVVBUIIOGRTRPO-MRVPVSSYSA-N 239.677 2.621 30 20 BFED CC[C@H]1CN(Cc2ccccc2C#N)C[C@@H](C)O1 252442533 AFPPHYKUGPOTPF-DOMZBBRYSA-N 244.338 2.558 30 20 BFED C=CCN(C(=O)c1cccc(CC#N)c1)C1CC1 271383251 JWSDHAMGLLVGOA-UHFFFAOYSA-N 240.306 2.543 30 20 BFED C=CCCC(=O)N(C)[C@H](CC)CSC 271505783 LYYYVIYQUDKXJV-SNVBAGLBSA-N 215.362 2.553 30 20 BFED CCCCCCCCNC(=O)c1cncnc1 273861523 UUBODKGKBZEGGT-UHFFFAOYSA-N 235.331 2.567 30 20 BFED Cc1ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)o1 274362718 UIUWDIHJALSLLV-ZDUSSCGKSA-N 234.299 2.646 30 20 BFED CCCCN(CC)C(=O)c1ccc(F)c(C#N)c1 278524001 HAIKFDAGSAXYHI-UHFFFAOYSA-N 248.301 2.960 30 20 BFED C=CCCCN[C@@H](C(=O)OCC)c1ccccc1 279903147 VGTUPIBNUCMOKG-CQSZACIVSA-N 247.338 2.847 30 20 BFED C=CC[C@H](CC)NC(=O)N[C@H](C)c1ccccn1 281063337 RVFACHBLTAGGIE-NEPJUHHUSA-N 247.342 2.797 30 20 BFED C=C(CNC(=O)NC1CC(C)C1)c1ccccc1 287547386 IXKWJNCDYJZPLJ-UHFFFAOYSA-N 244.338 2.798 30 20 BFED N#Cc1ccc(Cl)cc1NCC1=CCCOC1 288499346 MJDVIHFKXVDIJL-UHFFFAOYSA-N 248.713 2.970 30 20 BFED C#C[C@H](NCc1cccc(OCC)c1O)C(C)C 289360638 KKDPZVFIDKJXHD-ZDUSSCGKSA-N 247.338 2.538 30 20 BFED C#Cc1ccc(CN[C@@H](C)C(F)(F)F)cc1 290157265 LPGTXXQPLGDZFD-VIFPVBQESA-N 227.229 2.708 30 20 BFED N#CCCCCN[C@H]1CCc2cccc(O)c21 297869709 UOYMFABYMGGDSN-LBPRGKRZSA-N 230.311 2.663 30 20 BFED N#Cc1ccc(OC(=O)[C@@H]2CC=CCC2)cc1 298148960 VRKVWLXSQHLARV-GFCCVEGCSA-N 227.263 2.820 30 20 BFED CC(C)(C)C(=O)CSc1ccc(C#N)cn1 298326020 WCBSZEFGXCFAIN-UHFFFAOYSA-N 234.324 2.661 30 20 BFED Cc1ccc(N2CCCCCC2)nc1C#N 302726544 SEFQAZFEGQWBGQ-UHFFFAOYSA-N 215.300 2.642 30 20 BFED N#Cc1sc(Sc2ncco2)nc1Cl 307339312 HXFNZPHBFKOMOS-UHFFFAOYSA-N 243.700 2.807 30 20 BFED C=CCC[C@H](N[C@H]1CCOC1)c1ccco1 309417584 ZBJRTSBJCYQDDJ-RYUDHWBXSA-N 221.300 2.665 30 20 BFED C[C@@H]1C[C@H]1CNc1cccc(OCC#N)c1 309741010 DHOPWBXXLFQSDJ-MNOVXSKESA-N 216.284 2.657 30 20 BFED CC1(CNc2ccc(Cl)c(C#N)n2)CC1 310010013 IFUGPWFERIZYKJ-UHFFFAOYSA-N 221.691 2.819 30 20 BFED CC(F)(F)CC(=O)Nc1cccc(CC#N)c1 313414657 ZDXSOLPEDOEWAY-UHFFFAOYSA-N 238.237 2.736 30 20 BFED CCCc1occc1/C(O)=N/[C@H](C)C[C@@H](C)O 330404077 VREPHJKRDHXVHT-NXEZZACHSA-N 239.315 2.696 30 20 BFED C=CC1CCN(C(=O)Nc2cncc(F)c2)CC1 335207209 GOSNTYYGSOEQBT-UHFFFAOYSA-N 249.289 2.651 30 20 BFED N#Cc1cccc(CN2CC[C@H](C3CC3)C2)c1 335899618 NWYCZXLFXCQFEO-HNNXBMFYSA-N 226.323 2.790 30 20 BFED C=C[C@@H](C)NC(=O)c1cc(F)ccc1Cl 336161853 DYCBPYVLEFPKHT-SSDOTTSWSA-N 227.666 2.783 30 20 BFED CO[C@@H]1CCN(c2ccc(C#N)cc2F)C[C@@H]1C 336271204 LHXHTRLFUZDHCP-IINYFYTJSA-N 248.301 2.559 30 20 BFED CC(C)[C@@H]1N(C(=O)CC(C)(C)C#N)CC1(C)C 336443773 ZBGBBLQCFSFQCL-LBPRGKRZSA-N 236.359 2.819 30 20 BFED C=CCCCC[C@@H](C)NCc1c[nH]nc1C 336738599 KJMXQHPDACZDEP-LLVKDONJSA-N 221.348 2.943 30 20 BFED C=CCCCC[C@H](C)NCc1c[nH]nc1C 336738600 KJMXQHPDACZDEP-NSHDSACASA-N 221.348 2.943 30 20 BFED C=CCOCCN1CC[C@@H](CC(C)C)C1 339009885 NMPYVTYDQHSBSL-ZDUSSCGKSA-N 211.349 2.557 30 20 BFED C=CCc1ccccc1OCc1nnc(C)o1 339250605 VYUGNVKQSZNLBA-UHFFFAOYSA-N 230.267 2.686 30 20 BFED C=C(C)[C@H](CC(=O)N(C)[C@H](C)C(C)C)OCC 339420140 SWRQNCQDWRCFKP-OLZOCXBDSA-N 241.375 2.861 30 20 BFED C=CCOCC(=O)N1CCCC[C@H]1CC(C)C 342131034 ARWMYEPKPMOLSH-ZDUSSCGKSA-N 239.359 2.616 30 20 BFED C=C[C@](C)(CC)C(=O)NCc1ccc(C)nc1 343827801 LOULZPWEYMWYGH-CQSZACIVSA-N 232.327 2.609 30 20 BFED CCCCN(C)CCOCc1ccc(C#N)cc1 344129835 VBMHOQUHRNMPLR-UHFFFAOYSA-N 246.354 2.807 30 20 BFED C=CCCC(=O)N[C@H](C)c1c(F)cncc1F 344152563 LZJOPTCNKVICKZ-MRVPVSSYSA-N 240.253 2.503 30 20 BFED CC#CCCN(CC)[C@H]1CCOC(C)(C)C1 351933460 CQDNGSRHXNHXQH-ZDUSSCGKSA-N 223.360 2.679 30 20 BFED CC1(C)C[C@H]1CNC(=O)Nc1cccc(C#N)c1 352455203 GHWJSUPDXYXFKI-NSHDSACASA-N 243.310 2.726 30 20 BFED C/C=C\C[S@](=O)CCCC(C)(C)C#N 356921186 BAWIEPUNAXJTDC-WSNITJDQSA-N 213.346 2.641 30 20 BFED C=C(CC)CN1CC[C@H](OCC(C)C)C1 358508958 MQXLOXIOFAWAOT-ZDUSSCGKSA-N 211.349 2.700 30 20 BFED CCC1(C(=O)N(C)C[C@H](C)C#N)CCCCC1 359262835 PBYUYUFELFJBDC-GFCCVEGCSA-N 236.359 2.965 30 20 BFED C=CCCC(=O)N1CC[C@H](CC2CC2)C1 359709387 XGWKEYPAXDSJQJ-GFCCVEGCSA-N 207.317 2.601 30 20 BFED C=CCC[C@H](CC)N[C@@H]1CCO[C@H]1C1CC1 359880092 SFZRPOOVJHGOML-MJBXVCDLSA-N 223.360 2.888 30 20 BFED CC(C)CN(CC(C)C)C(=O)CCCC#N 361549291 KBEPQEDZLYJBRJ-UHFFFAOYSA-N 224.348 2.821 30 20 BFED C=C[C@H](C)NC(=O)c1cccc(OC(F)F)c1 362586785 IPXLZQTXAWAFNZ-QMMMGPOBSA-N 241.237 2.592 30 20 BFED C=C[C@@H](C)NC(=O)c1cn(CC)c2ccccc12 362598263 CZBMUHGENRIQOP-LLVKDONJSA-N 242.322 2.966 30 20 BFED C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCC(C)C 362619347 ASJBBMNYLBVSQC-CHWSQXEVSA-N 239.359 2.520 30 20 BFED N#Cc1ccc(CN2[C@H]3C=CC[C@H]2CC3)s1 367536486 ULRGDEKOPBRTMU-QWRGUYRKSA-N 230.336 2.913 30 20 BFED CO[C@H]1CCCN(c2cccc(F)c2C#N)CC1 374650821 YLMFFAQOCLJAGW-NSHDSACASA-N 248.301 2.703 30 20 BFED C=CCCOc1cnc(F)cc1Cl 379368249 XINJEMYNFRJEMT-UHFFFAOYSA-N 201.628 2.829 30 20 BFED C[C@H](C#N)CNC[C@H](C)C1CCCCC1 380000371 MJEBMECQAGXLKP-NEPJUHHUSA-N 208.349 2.952 30 20 BFED C=CC(C)(C)CN[C@@H](C(=O)O)c1ccccc1 395382109 KBKSOBALHOSIOL-GFCCVEGCSA-N 233.311 2.614 30 20 BFED CCCCCCCC(=O)N(C)C1(CN)CCC1 395515343 RZFFSXFADZMADM-UHFFFAOYSA-N 240.391 2.687 30 20 BFED CC[C@@H](C)CC(=O)N1CCC(CC#N)CC1 397277013 GNRRYXOTKXRTNK-LLVKDONJSA-N 222.332 2.575 30 20 BFED N#CC[C@@H]1CCCN(Cc2ccsc2)C1 397583170 GJNPTLQNXWGYAM-NSHDSACASA-N 220.341 2.874 30 20 BFED C[C@@H](CC#N)N(C)CC=C(Cl)Cl 403565012 WDMRLFRGASMVRZ-ZETCQYMHSA-N 207.104 2.539 30 20 BFED CC[C@H]1CN(Cc2ccccc2C#N)[C@H](C)CO1 403995239 SVLRKRMIDSUMQG-DOMZBBRYSA-N 244.338 2.558 30 20 BFED CCC[C@H](C)C(=O)NCc1ccc(C#N)c(F)c1 404578067 UGLJQRJYVYUXIQ-JTQLQIEISA-N 248.301 2.750 30 20 BFED N#CC1(CSc2ncc[nH]2)CCCC1 405103955 FTVNHNVQUQLUQW-UHFFFAOYSA-N 207.302 2.586 30 20 BFED CCC[C@@H](C#N)N(C)C(=O)C[C@H](C)CCC 410830280 UOCNFUJJQVZEHL-NEPJUHHUSA-N 224.348 2.963 30 20 BFED C[C@H](SCCCO)c1ccc(C#N)cc1 413015400 KERZGDIUSGRJKR-JTQLQIEISA-N 221.325 2.735 30 20 BFED C[C@@H]1C[C@@H](CNc2ccc(F)cc2C#N)[C@@H](C)O1 413526682 CKOCHTWPSWANAM-FOGDFJRCSA-N 248.301 2.923 30 20 BFED CC[C@@H](NC(=O)CC(C)(C)C#N)[C@H]1CC1(C)C 416087465 YIUMYUXOXOUCJF-GHMZBOCLSA-N 236.359 2.867 30 20 BFED CC[C@@H](NCc1cc(C#N)n(C)c1)[C@@H]1CC1(C)C 418099580 CBOAJXXNYQSBQB-UONOGXRCSA-N 245.370 2.811 30 20 BFED C[C@H]1CC[C@@H](C)N1c1ncc2c(c1C#N)CCC2 425233640 GOPGYSZMZRLVKS-PHIMTYICSA-N 241.338 2.819 30 20 BFED C=CCC[C@@H](CC)N[C@@H]1CCn2ccnc2C1 427859506 WDZDLJATXLZBDZ-CHWSQXEVSA-N 233.359 2.532 30 20 BFED CN(C)C1(CN[C@H]2CC[C@@H](C#N)C2)CCCCC1 442632637 FJUOAHIRKBREKZ-KGLIPLIRSA-N 249.402 2.533 30 20 BFED C=Cn1cc(CNCC(=C)c2ccccc2)cn1 447822164 OPTKRBXGETWGHX-UHFFFAOYSA-N 239.322 2.787 30 20 BFED C=CCCCC[C@@H](C)NC[C@H](O)CCC 449142269 GECMEKGCVOKCBD-CHWSQXEVSA-N 213.365 2.872 30 20 BFED N#C[C@@H]1CC[C@H](NC[C@@H]2CCOC3(CCC3)C2)C1 449481741 VKVYOKLKPQKHJM-MCIONIFRSA-N 248.370 2.618 30 20 BFED C=CC[C@H](C)[C@H](C)NCCC[C@H]1CCOC1 449685627 SWTPBDWOXKIIOU-IHRRRGAJSA-N 225.376 2.993 30 20 BFED CC[C@@H](NCC1(CC#N)CC1)c1ccncc1 453216476 OFYFOZVEJKPGQP-CYBMUJFWSA-N 229.327 2.816 30 20 BFED C=CCC[C@@H](N[C@@H](C)CCCCO)C1CC1 453278984 DRIWZLOTHCCZQN-GXTWGEPZSA-N 225.376 2.872 30 20 BFED C=C(C)CCNC(=O)N[C@@H](C)CCSCC 454611763 ZURDPPYKKBXJHQ-NSHDSACASA-N 244.404 2.784 30 20 BFED C=C(CC)CNC(=O)N1CC[C@H](C)[C@@H](C)C1 455514923 ARACHKPEWKGNST-RYUDHWBXSA-N 224.348 2.640 30 20 BFED CCC[C@H](NC(=O)NCCC#N)C1CCCC1 458728928 UQBWUCPNBLQTEN-LBPRGKRZSA-N 237.347 2.558 30 20 BFED COCC(C)(C)CNc1c(C#N)cccc1C#N 488685535 GGRMAQCYTSQRQY-UHFFFAOYSA-N 243.310 2.514 30 20 BFED C#C[C@H](CC)NC(=O)CCc1cccc(Cl)c1 491395514 SXDSUYJXXYNOHL-CYBMUJFWSA-N 249.741 2.801 30 20 BFED C#C[C@@H](C)N(C)C(=O)c1ccc(C)nc1C(C)C 491662858 MOGGRFIMGODQBY-GFCCVEGCSA-N 244.338 2.607 30 20 BFED C#C[C@@H](C)N(C)C/C=C/c1ccc(F)cc1 491818056 WWHLYZLGYIIANZ-BTDICHCPSA-N 217.287 2.792 30 20 BFED C=CCCCCN[C@@H](CO)c1ccc(F)cc1 517682388 NGSNZGYXLJGKHK-AWEZNQCLSA-N 237.318 2.805 30 20 BFED C=CCCC1(C(=O)N[C@H](C#N)CCC)CC1 521145706 ZAUZQXBEGJOZEY-NSHDSACASA-N 220.316 2.541 30 20 BFED CCCN(Cc1ccc(C)cc1)C(=O)[C@@H](C)C#N 531042994 LFKKEQFQWVPPPH-ZDUSSCGKSA-N 244.338 2.893 30 20 BFED CC[C@@H](Sc1ccc(C#N)c(C)c1)C(=O)OC 563127123 IZJULDLOFDIJHZ-GFCCVEGCSA-N 249.335 2.910 30 20 BFED CC(C)CC[C@H](O)CNCC(C)(C)CCC#N 579345778 NTDLKIWSZOZETC-ZDUSSCGKSA-N 240.391 2.703 30 20 BFED C=C[C@@H]1CCCCN1c1ncccc1[N+](=O)[O-] 583187650 KYJSEMUQTOFUCF-SNVBAGLBSA-N 233.271 2.535 30 20 BFED N#C[C@@H]1CC[C@H](N2CCC3(CCC3)CC2)C1 590182599 NMXZFFWSAUJJAI-OLZOCXBDSA-N 218.344 2.945 30 20 BFED COCCN(CC#N)Cc1ccccc1C1CC1 590781344 RYFWDCOZGURKBG-UHFFFAOYSA-N 244.338 2.536 30 20 BFED N#Cc1csc(C(=O)NC2(C3CCC3)CC2)c1 593303920 FRZJEDXJQAURKZ-UHFFFAOYSA-N 246.335 2.682 30 20 BFED CCOc1ccccc1N(C)C(=O)[C@H](C#N)CC 593550483 CQICTNOPFMRKNR-NSHDSACASA-N 246.310 2.598 30 20 BFED C=CCCSCCNCc1csc(C)n1 594960557 SUPYMUWIQNANTA-UHFFFAOYSA-N 242.413 2.850 30 20 BFED CC(C)(F)CCNc1nc2ccccn2c1C#N 596468087 HFWMUPUDZZJHFU-UHFFFAOYSA-N 246.289 2.756 30 20 BFED N#Cc1ccc(NCCOCCF)cc1Cl 596569523 KSHIALDBWRIMFX-UHFFFAOYSA-N 242.681 2.610 30 20 BFED C[C@H](CC#N)N(C)C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 597144381 JIGXHJSOVMQVMF-MQYQWHSLSA-N 248.370 2.963 30 20 BFED C[C@H](C#N)N(C(=O)C1C(C)(C)C1(C)C)C1CC1 598133147 XKNHGEYMXOJYJW-SECBINFHSA-N 234.343 2.572 30 20 BFED C[C@H]1CCC[C@@H](C)CN1Cc1cccc(C#N)n1 602473266 LJXFHRKHYRNQES-OLZOCXBDSA-N 243.354 2.964 30 20 BFED Cc1ccoc1CN(C)C[C@@H](C)CCC#N 602671767 HZIZZTSUQXMPSU-NSHDSACASA-N 220.316 2.960 30 20 BFED CO[C@@H](CNC[C@H](C)CCC#N)C1CCCC1 602719549 YAQBOCDXAFOPTP-OCCSQVGLSA-N 238.375 2.721 30 20 BFED C=CCCNC(=O)c1ccc(C(=O)CC)cc1 617617026 RYBIEHJEYOMYNQ-UHFFFAOYSA-N 231.295 2.585 30 20 BFED C=CC[C@H](CC)NC(=O)c1nc[nH]c1C(C)(C)C 632848730 KHHVFRNYCHOAJK-JTQLQIEISA-N 249.358 2.792 30 20 BFED C=CCOCCN[C@H](C)[C@H]1CCCC[C@@H]1C 648509871 HCJJXAXOPLKELT-MJBXVCDLSA-N 225.376 2.993 30 20 BFED C=CCCC(=O)N1CCc2cccc(OC)c2C1 653981420 CLNCNWVJRYTTRE-UHFFFAOYSA-N 245.322 2.546 30 20 BFED C=CCCN[C@H](c1cncc(F)c1)C1CC1 658113470 HIKIHHBJTLKQJC-ZDUSSCGKSA-N 220.291 2.838 30 20 BFED C=CCCCNC(=O)N1[C@H]2CC[C@H]1CC(C)C2 661091247 KZMXPGWWFJZZSU-STQMWFEESA-N 236.359 2.925 30 20 BFED C=CCCNC(=O)N1CCCC[C@@H]1CCC 665944859 ULCGSIGESXYGBV-LBPRGKRZSA-N 224.348 2.927 30 20 BFED C=CCN(C(=O)c1coc(C)n1)c1ccccc1 670371914 PJUYSBPSYZHNBM-UHFFFAOYSA-N 242.278 2.816 30 20 BFED COCC#CCN1C[C@@H](c2ccccc2)C[C@@H]1C 677817677 OOCSLCHRYUVZRZ-HOCLYGCPSA-N 243.350 2.514 30 20 BFED COCC#CCOc1cccc2c1CCCC2 678822317 AZFMOGISROKJSG-UHFFFAOYSA-N 230.307 2.594 30 20 BFED C=C[C@@H]1CCCCN1C(=O)[C@H](C)c1ccco1 683788843 VSTAUIHOWNDQCF-VXGBXAGGSA-N 233.311 2.950 30 20 BFED C#CCN(C(=O)c1ccc(C)c(C)c1)C(C)C 688862597 WKVRLMFNPIEAAY-UHFFFAOYSA-N 229.323 2.787 30 20 BFED CC[C@H](C)N(C)CCN[C@H](C)CC(C)(C)C#N 695843259 PAUWNJDMCFSWAJ-OLZOCXBDSA-N 239.407 2.635 30 20 BFED N#Cc1sc(N[C@@H]2C=CCC2)nc1Cl 698194275 DZTCASJTCUAIIG-ZCFIWIBFSA-N 225.704 2.799 30 20 BFED N#Cc1cccc(N(Cc2ccoc2)C2CC2)n1 723747230 ZVDWLFNCEPCMJP-UHFFFAOYSA-N 239.278 2.715 30 20 BFED C=C(Cl)COc1ccc(F)cc1[N+](=O)[O-] 726742987 WTEXRNUASORUPC-UHFFFAOYSA-N 231.610 2.865 30 20 BFED Cc1ccc(NN=C/C=C\c2ccccc2)nn1 729935501 BFBIBDCCTFQYSN-MBCYWTQPSA-N 238.294 2.896 30 20 BFED CCC(=NNc1ccc(C#N)cc1)[C@@H]1CCOC1 741847538 MVKOSTJLEQBAAA-GFCCVEGCSA-N 243.310 2.773 30 20 BFED CC(=NN=C/C=C\c1ccco1)c1cnccn1 745208412 HRRRZYIVTVVTCA-JUIZBAOUSA-N 240.266 2.578 30 20 BFED CC(C)CCCNC(=O)C#Cc1ccccc1 747204489 KMXPRMKOSAMGIL-UHFFFAOYSA-N 229.323 2.591 30 20 BFED CC[C@H](SC)C(=O)OCc1cccc(C#N)c1 747234496 VAKCIZAEONNNJJ-LBPRGKRZSA-N 249.335 2.743 30 20 BFED C=CCOc1cccnc1C(=O)OC(CC)CC 754867055 MAGPFJQAVZFEJS-UHFFFAOYSA-N 249.310 2.992 30 20 BFED Fc1ccc(C=NO[C@@H]2CCCCO2)cc1F 755815916 BMVIGNZWLZGEIX-GFCCVEGCSA-N 241.237 2.842 30 20 BFED C=C(C)CNC(=S)N(CC)CCC1CC1 760502997 RFEIMTPVTFQJHB-UHFFFAOYSA-N 226.389 2.559 30 20 BFED Cc1ccc(C=NNCc2ccccc2)nc1 761804803 HEXPDEIBLUNFPS-UHFFFAOYSA-N 225.295 2.514 30 20 BFED C#CCCN(C)[C@H]1CC[C@H](SCC)C1 764243485 ZFHUXBXHQYMCNQ-RYUDHWBXSA-N 211.374 2.616 30 20 BFED CCOc1cccc(C=NOCC(F)(F)F)c1 764846384 HDYDKSRBHBBLFR-UHFFFAOYSA-N 247.216 2.998 30 20 BFED CCOc1cc(C=NOC)cc(Cl)c1OC 767489707 FIURVBSOBNZQDC-UHFFFAOYSA-N 243.690 2.728 30 20 BFED CC(CCC1CC1)=NNc1ncccc1[N+](=O)[O-] 768776951 ULMJXFKYLYAQQQ-UHFFFAOYSA-N 248.286 2.968 30 20 BFED CCCCCCCOC(=O)[C@H]1CCO[C@H]1C 771083648 UDNRGBUWNUTRKB-RYUDHWBXSA-N 228.332 2.925 30 20 BFED Cc1cn(Cc2ccnc(Cl)c2)cc1C#N 771184459 PAKDKKKMXPQPAQ-UHFFFAOYSA-N 231.686 2.765 30 20 BFED C#CCCCCC(=O)Nc1cccc(OCC)n1 773417937 BPERBYBVIYAFLU-UHFFFAOYSA-N 246.310 2.612 30 20 BFED C=C(CC)COC(=O)/C=C\c1ccc(O)cc1 773472379 WQKZMSVGEDMQGU-TWGQIWQCSA-N 232.279 2.915 30 20 BFED CCCC(CC)=NNC(=S)NCC1CCC1 776179973 HMYNQFOFKGVKID-UHFFFAOYSA-N 241.404 2.817 30 20 BFED Cc1noc(C)c1C=NOC1CCCCC1 777460323 WUHJCERYQDEORB-UHFFFAOYSA-N 222.288 2.975 30 20 BFED C=C(C)CCOC(=O)C1(CC)CCOCC1 779213830 LQYCUIOITRPYQU-UHFFFAOYSA-N 226.316 2.703 30 20 BFED C/C=C(/C)C(=O)OCCCC(C)(C)C#N 784038660 LZLURPXVZQEPPM-YHYXMXQVSA-N 209.289 2.826 30 20 BFED CC(C)c1nccc(N2CCC[C@](C)(C#N)C2)n1 784207527 GESUJRPYFJDSTC-CQSZACIVSA-N 244.342 2.730 30 20 BFED C=CCCC(=NOC[C@H]1CCOC1)C1CC1 788031872 ZLHSNFODNBJCHL-NSHDSACASA-N 223.316 2.772 30 20 BFED C#Cc1cccc(N(C)C(=S)NC2(C)CC2)c1 789220976 RAEXNFYAZCSRIT-UHFFFAOYSA-N 244.363 2.531 30 20 BFED CC[C@@H](C)NN=Cc1ccc(F)cc1C 790187303 AFJHOBQUNOEDLP-SNVBAGLBSA-N 208.280 2.856 30 20 BFED C=CCCCOC(=O)c1cccnc1OC(C)C 792838837 VPVKFOJGTGCASI-UHFFFAOYSA-N 249.310 2.992 30 20 BFED CCC(=NNCC1(C)CCCC1)c1cnn(C)c1 793084331 LSCZMTRPBXBBPL-UHFFFAOYSA-N 248.374 2.704 30 20 BFED Cc1cc(C=NNc2ncncc2F)ccc1F 793226390 RUECLFFTJWJGJK-UHFFFAOYSA-N 248.236 2.509 30 20 BFED C#CCCCSC[C@H]1CCC[C@H](O)C1 793949669 DYOOJAQAXHOBTQ-RYUDHWBXSA-N 212.358 2.684 30 20 BFED Fc1cccc(NN=C/C=C\c2ccco2)n1 795007709 NATPPRMKEQOZGZ-XCDHHBBJSA-N 231.230 2.925 30 20 BFED CN(CC#N)[C@H]1CCc2cc(Cl)ccc21 795888955 HXIQMJHNXJCXSG-LBPRGKRZSA-N 220.703 2.783 30 20 BFED COCC[C@@H]1CCCC1=NOCCSC 799887089 LWLPIEACYSSRHB-JTQLQIEISA-N 231.361 2.559 30 20 BFED C[C@H](CN(C)CCO[C@H](C)C#N)c1ccccc1 801917392 BJXITDOUESVCFW-ZIAGYGMSSA-N 246.354 2.651 30 20 BFED C=CCCCCCCNS(=O)(=O)CCCC 805104576 WXKCPUXEXHPMDT-UHFFFAOYSA-N 247.404 2.842 30 20 BFED C[C@@H]1CC(=NOC[C@H]2CCOC2)c2ccccc21 807983988 FIRPNDMBVRLLGL-NEPJUHHUSA-N 245.322 2.951 30 20 BFED FC(F)(F)c1ccc(C=NOC2CCC2)[nH]1 812236034 URMAWIFRXXJCSL-UHFFFAOYSA-N 232.205 2.937 30 20 BFED CC(C)[C@@H]1CC(=NOCC2CC2)CS1 814941455 YAECZZGEEFRPDC-NSHDSACASA-N 213.346 2.931 30 20 BFED C=CCC(F)(F)C(=O)OCC1(COC)CCC1 815311368 IABGACZNMKCICA-UHFFFAOYSA-N 248.269 2.558 30 20 BFED CC(C[C@H]1CCOC1)=NN[C@H](C)c1ccncc1 819815601 BWCJDTIBBSYXTI-CHWSQXEVSA-N 247.342 2.535 30 20 BFED C#C[C@H](C)NC(=O)N1CCC[C@]1(C)CC(C)C 820401088 VYTPHXXVEXIZJZ-GXTWGEPZSA-N 236.359 2.618 30 20 BFED C=C(C)COCCNC(=O)[C@@H](CC)CCC 820960051 SESDAXPCSGBASM-LBPRGKRZSA-N 227.348 2.522 30 20 BFED CCC[C@H](CC)C(=O)N1CCC[C@](C)(C#N)C1 821868780 VXLKEBZRMXNCFD-GXTWGEPZSA-N 236.359 2.965 30 20 BFED COCC(C)(C)CN[C@H](C)CC(C)(C)C#N 829178635 GTHQCSIIUXHTNI-LLVKDONJSA-N 226.364 2.577 30 20 BFED C#CC1CCN(CCc2ccc(OC)cc2)CC1 830311240 ILUSFEGMSFYYQN-UHFFFAOYSA-N 243.350 2.583 30 20 BFED CCC(=NNC[C@@H](C)C#N)c1ccsc1 834965977 XAUBLWHDJKLRAY-VIFPVBQESA-N 221.329 2.611 30 20 BFED CCN(C(=O)C#CC1CC1)c1cccc(C)c1 837334977 MVTOJSFPZYCILL-UHFFFAOYSA-N 227.307 2.761 30 20 BFED C[C@H]1CCC[C@@H]1CNC(=O)C#CC(C)(C)C 837599094 ZZPIHXPFQJULEM-NWDGAFQWSA-N 221.344 2.588 30 20 BFED CC[C@@H]1CCC[C@@H]1CNC(=O)C#CC(C)(C)C 837680020 WRZFZGAESDPIJM-CHWSQXEVSA-N 235.371 2.978 30 20 BFED CC1(C)C[C@@H]1C(=O)O[C@H]1CCC[C@H](C#N)C1 839056798 RDNROOIBONMMRS-GARJFASQSA-N 221.300 2.658 30 20 BFED C#CCCCC(=O)N(C)c1ccc(C)cc1F 841325103 FUVDRSOKGJSMNS-UHFFFAOYSA-N 233.286 2.900 30 20 BFED C[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842939996 VPSLLSXLBONRSL-QNSHHTMESA-N 246.335 2.853 30 20 BFED C=C[C@@H](C)ON=Cc1cc(OC)c(OC)cc1C 844621272 FSJBDPXHDPAWCC-LLVKDONJSA-N 249.310 2.937 30 20 BFED C=C[C@H](C)ONC(=O)N(C)Cc1ccc(C)cc1 845639877 SYBHTFKIWJTKDM-LBPRGKRZSA-N 248.326 2.643 30 20 BFED C=C(C)CONC(=O)C[C@@H]1CCC[C@H](C)C1 846538992 BDKODQKCOKZGQW-NWDGAFQWSA-N 225.332 2.827 30 20 BFED C#CCOCCN1CCC[C@@H]1c1ccc(C)cc1 851711355 ZIWOOZKBGQUYDD-MRXNPFEDSA-N 243.350 2.782 30 20 BFED C#CCCN1CC[C@@H]1c1ccc(F)cc1 852467138 FZBOVYANXLSLGD-CYBMUJFWSA-N 203.260 2.596 30 20 BFED C[C@H]1CC(=NNc2ccc(Cl)cn2)[C@H](C)O1 853435356 NZLWKGKOLZCXRG-YUMQZZPRSA-N 239.706 2.700 30 20 BFED N#CCOc1ccc(C=NOCC2CCC2)cc1 853439741 MHKWSUINTMPXGY-UHFFFAOYSA-N 244.294 2.740 30 20 BFED C#CCOCCOc1ccc(/C=C/C)cc1OC 853643619 KNMDFTIMIUPUAH-GQCTYLIASA-N 246.306 2.757 30 20 BFED C=CCCONC(=O)c1sccc1C1CC1 856030511 GXGKSEPHKZZEIN-UHFFFAOYSA-N 237.324 2.863 30 20 BFED Clc1cnc(NN=C2CC[C@H]2C2CC2)nc1 857220739 MIVYKOQFVRBGAF-VIFPVBQESA-N 236.706 2.718 30 20 BFED C=CC(C)(C)CC(=O)NCCSC(C)C 879981605 RVKIRISEYBCCKI-UHFFFAOYSA-N 229.389 2.847 30 20 BFED CC(=O)c1ccc(C#N)c(N2CC[C@@H](CF)C2)c1 882841077 LYZOITYIOPRWAD-NSHDSACASA-N 246.285 2.557 30 20 BFED C=CCCC(=O)N[C@@H]1CCCc2cccnc21 885369173 HIOJVXIBNWCMOP-GFCCVEGCSA-N 230.311 2.541 30 20 BFED C=CCC(C)(C)c1nc(Cc2conc2C)no1 896745463 WTGFWBFYJQGLRW-UHFFFAOYSA-N 247.298 2.811 30 20 BFED C=C1CC(c2noc([C@@H](C)OCC3CC3)n2)C1 896881045 AYGWTLDKKITHAT-SECBINFHSA-N 234.299 2.991 30 20 BFED C[C@@H](CC(C)(C)C#N)NC/C=C\Cl 898430014 SLGPPFUWRKTRPK-WBSSQXGSSA-N 200.713 2.657 30 20 BFED O=C([C@@H]1[C@H]2CCC[C@H]21)N(O)Cc1ccc(F)cc1 901372059 OULMJQSLAUWYJH-ITGUQSILSA-N 249.285 2.590 30 20 BFED CC[C@@H]1C[C@H]1COc1ccc(F)nc1C#N 902401870 AWHGOHOCYKDDFU-BDAKNGLRSA-N 220.247 2.517 30 20 BFED C=CC[S@@](=O)Cc1ccccc1OC(F)F 905175860 QJJCBJMFTLGYMC-MRXNPFEDSA-N 246.278 2.723 30 20 BFED C=CCNC(=S)N[C@H](C)CCCCCC 916111604 WRFWVQKKZFPQRJ-LLVKDONJSA-N 228.405 2.995 30 20 BFED C=CCCCOC(=O)c1cccc2c1CCOC2 924319624 HOFZOPKYCRZYKL-UHFFFAOYSA-N 246.306 2.882 30 20 BFED C[C@H](NCCCC#N)[C@@H]1C[C@H]2C=C[C@H]1CC2 926131116 BCDRBNHATMMDKD-XUXIUFHCSA-N 218.344 2.871 30 20 BFED C=C[C@H](CC)CC(=O)N[C@@H]1CC[C@@H](C)C1 935540556 JYKBVXSRIGVLKY-IJLUTSLNSA-N 209.333 2.894 30 20 BFED C=CC[C@H](CC)NC(=O)[C@@H](C)c1cccc(O)c1 935798713 HIMQDBDLVMELSX-AAEUAGOBSA-N 247.338 2.967 30 20 BFED N#CCc1cccc(NCC2=CCCC2)n1 1118603047 USQVZRRMHSEBJT-UHFFFAOYSA-N 213.284 2.670 30 20 BFED C=CC[C@@H](N[C@@H](C)CCc1ccccc1)C(=O)O 1119536026 FGTWIIGVGBNUBQ-GXTWGEPZSA-N 247.338 2.627 30 20 BFED C=C[C@@H](C)NC(=O)CC(C1CC1)C1CC1 1252844145 QURKAIWOWHCKAA-SECBINFHSA-N 207.317 2.503 30 20 BFED COC(=O)c1ccccc1C=NOC(C)(C)C 1253789673 SGUDRPBFVOEIML-UHFFFAOYSA-N 235.283 2.622 30 20 BFED C=C[C@H](COC)NC(=O)[C@@H](C)CC1CCCC1 1255026270 SBKNPNSTVCAHHP-WCQYABFASA-N 239.359 2.520 30 20 BFED C#CCN(CC1CC1)C(=O)C[C@@H](C)CC(C)C 1319666733 LTDBLLZOXPOTRJ-ZDUSSCGKSA-N 235.371 2.931 30 20 BFED CC(C)[C@@H](C)N(C)c1cccc(CC#N)n1 1320604289 AUNJTSNQOKAXBL-LLVKDONJSA-N 217.316 2.628 30 20 BFED CCCCOC(=O)C1(c2cccc(C#N)c2)CC1 1334267413 ZZQJAAADPNDMID-UHFFFAOYSA-N 243.306 2.933 30 20 BFED C=C[C@@H](CC)Cc1nc(C(C)(C)OC)no1 1336066610 AVBZQAQEMSHVFY-VIFPVBQESA-N 224.304 2.706 30 20 BFED C=C(C)CCC(=O)N[C@@H](CO)c1ccccc1C 1337155930 GPTGMXGERMNKFV-AWEZNQCLSA-N 247.338 2.501 30 20 BFED C=CCC[C@H]1CCCN1C(=O)CCCC(C)=O 1337552227 UUGDVSRIYLHQGC-ZDUSSCGKSA-N 237.343 2.703 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)Cc1ccccc1F 1340894501 RRGVVUGLZOPPOO-LBPRGKRZSA-N 248.301 2.519 30 20 BFED CCN(CC#N)Cc1ccccc1N1CCCC1 1341553020 KFHNPSJUUZZWDX-UHFFFAOYSA-N 243.354 2.632 30 20 BFED C=C(C)CCC(=O)[C@H](C#N)c1cccc(F)n1 1345040179 VSGCMUQWOVOMLE-SNVBAGLBSA-N 232.258 2.753 30 20 BFED C=C[C@H](CC)CC(=O)N(C)CC1CCC1 1349828147 WFARQYNRMOMXFF-LLVKDONJSA-N 209.333 2.847 30 20 BFED C=C(CC)C(=O)N[C@H](c1cccnc1)C1CC1 1351698676 GMZHQGHPSLUZIM-ZDUSSCGKSA-N 230.311 2.615 30 20 BFED N#Cc1cnc(N2Cc3ccccc3C2)c(F)c1 1472686152 HVYQJMGAFBZBIM-UHFFFAOYSA-N 239.253 2.613 30 20 BFED C=C(CC)C(=O)N1CCCC[C@H]1C(F)F 1548701044 KLWDVFVFFIJCFH-VIFPVBQESA-N 217.259 2.599 30 20 BFED CCc1ccc(C=NOCCCCC(=O)O)cc1 1597520024 KZILMNICXCVBEY-UHFFFAOYSA-N 249.310 2.854 30 20 BFED CC(C)CN(CCC#N)C[C@H](O)c1ccccc1 44288867 CWPYVCJKXKWKTL-HNNXBMFYSA-N 246.354 2.592 30 20 BFED CN(C(=O)C1(C#N)CCCCC1)c1ccccn1 44765251 GCWSFDUULCHTTL-UHFFFAOYSA-N 243.310 2.518 30 20 BFED C#Cc1cccc(NC(=O)[C@@H](C)CSC)c1 66757648 FVZPMRSRJBMXKZ-JTQLQIEISA-N 233.336 2.606 30 20 BFED CC(C)[C@H](C)CC(=O)NCc1ccc(C#N)cc1 67800666 ILLGZGWIBBOQII-GFCCVEGCSA-N 244.338 2.857 30 20 BFED C[C@@H](CC1CC1)NCc1cc(C#N)ccc1F 70102270 FDVQSYZZRZAGSV-JTQLQIEISA-N 232.302 2.976 30 20 BFED C[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1C 76110561 NDUWTGWTWFDWNY-GHMZBOCLSA-N 232.302 2.785 30 20 BFED C[C@]1(CNc2ccc(C#N)cc2)CCCO1 87254210 MZNBEUQUKZODBI-CYBMUJFWSA-N 216.284 2.539 30 20 BFED COc1ccc(CNc2cccnc2)cc1C#N 87822243 XTJIDBIFDHUPDL-UHFFFAOYSA-N 239.278 2.574 30 20 BFED Cc1ccoc1CN(CC#N)C1CCCC1 93563355 CKMLJIIFBXQVJM-UHFFFAOYSA-N 218.300 2.856 30 20 BFED C=C[C@@H](C)N[C@H](C)c1ccccc1N(C)C 93947008 YFSBSSOQEODBSE-VXGBXAGGSA-N 218.344 2.978 30 20 BFED CCC[C@@H](C#N)NC(=O)c1ccc(C)cc1F 94207982 PUFGNCPHCMELPD-JTQLQIEISA-N 234.274 2.556 30 20 BFED C=CCOc1cccc(NC(=O)N(C)CC)c1 101749634 NXMOWMYCOKPSFD-UHFFFAOYSA-N 234.299 2.735 30 20 BFED C=CCNC(=O)NCCCCC(C)(C)C 103847051 DTVIJGGERZFELO-UHFFFAOYSA-N 212.337 2.688 30 20 BFED CCCCCCCCN1CC[C@@H](CO)C1 111236288 BARPWPIBFCDMBB-CYBMUJFWSA-N 213.365 2.661 30 20 BFED C[C@@H](CC1CC1)NC(=O)Nc1cccc(C#N)c1 112713289 KSWYJPSFFFDTHI-JTQLQIEISA-N 243.310 2.868 30 20 BFED Cc1cc(/C=C/C(=O)c2cnccn2)ccc1F 115962221 JTTSRQLOSLDXDO-HWKANZROSA-N 242.253 2.820 30 20 BFED C=CCCCOC(=O)c1cn2c(C)cccc2n1 117992879 QZKRJIYWZHDYMN-UHFFFAOYSA-N 244.294 2.766 30 20 BFED CCN(CC#N)CCc1ccccc1Cl 121075506 OLSQKAHSXXYHDA-UHFFFAOYSA-N 222.719 2.728 30 20 BFED C=C(C)CN[C@@H](C)c1ccc([S@](C)=O)cc1 121857488 WZTXPNVFRDEUHU-MEDUHNTESA-N 237.368 2.651 30 20 BFED COC[C@@H](N[C@H](C)c1ccc(C#N)cc1)C1CC1 126183352 QOKCEARSOZJPFG-IAQYHMDHSA-N 244.338 2.634 30 20 BFED C[C@]1(CNCc2ccc(C#N)cc2)CCCS1 126515554 FACUKXVTZOLNHO-CQSZACIVSA-N 246.379 2.934 30 20 BFED C#CCCCCNC(=O)NCC1(C)CCCC1 127197399 NIWHYYXASVJVMS-UHFFFAOYSA-N 236.359 2.669 30 20 BFED C=CCN[C@@H]1C[C@H](OCCCC)C1(C)C 130708979 GLRCNYWYCDRFAM-NEPJUHHUSA-N 211.349 2.746 30 20 BFED CC[C@@H](C)C[S@](=O)Cc1ccc(C#N)cc1 131746639 FPFFQTJCGPKDIT-BDJLRTHQSA-N 235.352 2.853 30 20 BFED CC(C)[C@H]1CCN(C(=O)C2(C#N)CCCC2)C1 134968919 PGZNHQAOQLAGDX-LBPRGKRZSA-N 234.343 2.575 30 20 BFED CC[C@@](C)(C#N)C(=O)N(C)c1ccc(C)cc1 136233420 XVMLEMRTUPBUEA-AWEZNQCLSA-N 230.311 2.898 30 20 BFED COc1ccc(C)cc1[C@H](C)NCCCC#N 161542576 NWEFIUOTQUKWLZ-LBPRGKRZSA-N 232.327 2.958 30 20 BFED C=C(Cl)CN[C@@H](C)c1csc(C)n1 161735507 IDBZIXJDSQWAFJ-ZETCQYMHSA-N 216.737 2.855 30 20 BFED C=C(C)CCN1CCCC[C@H]1CCC(=O)O 169070927 JPBOZUCMLLOFNN-LBPRGKRZSA-N 225.332 2.672 30 20 BFED CC[C@@H](CC(=O)N[C@H](C)CC#N)c1ccccc1 171535580 JHBLEVGLVUEZKR-OLZOCXBDSA-N 244.338 2.989 30 20 BFED C[C@H]1[C@H](C)CCCN1C(=O)c1sccc1C#N 172643056 FUMLLDYVBRHPEP-ZJUUUORDSA-N 248.351 2.880 30 20 BFED CN(C(=O)Nc1ccc(CC#N)cc1)C1CCC1 174715816 PIRVZIVCFJCZJP-UHFFFAOYSA-N 243.310 2.769 30 20 BFED C=CCNC(=O)c1c(O)cc(Cl)cc1Cl 176958413 FELPULZCJQGZFU-UHFFFAOYSA-N 246.093 2.615 30 20 BFED Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)CC#N 178650148 CRUKKPHCXYNWJC-HBNTYKKESA-N 248.351 2.578 30 20 BFED CCn1nccc1/C=C/C(=O)c1ccsc1 178879001 SQYMREPNTHEABC-ONEGZZNKSA-N 232.308 2.861 30 20 BFED CC(C)(C#N)OC(=O)c1nccc2ccccc12 181816968 VDNSHOFMUQZOIT-UHFFFAOYSA-N 240.262 2.694 30 20 BFED CC#CCCCC(=O)Nc1cccc(O)c1 184275375 SFIGNQIHZMQAKT-UHFFFAOYSA-N 217.268 2.524 30 20 BFED C#CCC(C)(C)C(=O)N[C@H]1CCC[C@@H](C)C1 185096201 RETYCNYVYOBPSS-NEPJUHHUSA-N 221.344 2.731 30 20 BFED C=CCOCCCC(=O)N1CC[C@H](C)[C@H]1CC 185454162 DGWJUGVYNLOYNL-QWHCGFSZSA-N 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227.263 2.943 30 20 BFED Cc1cc(/C=C2/CCCC(C)(C)C2=O)nn1C 840717371 UHBVAFWNWMTSCA-LUAWRHEFSA-N 232.327 2.891 30 20 BFED C(=NOC[C@@H]1CCOC1)c1ccc(C2CC2)cc1 841639015 YQGLZBHABGYUFC-CYBMUJFWSA-N 245.322 2.951 30 20 BFED C#CC1CCN(C(=O)CCCC(F)(F)F)CC1 843704660 BUIAECUMORRIMC-UHFFFAOYSA-N 247.260 2.591 30 20 BFED C=C[C@@H](C)ON=C(C)c1csc(C)n1 844621969 RBVULGMKXCIRKK-SSDOTTSWSA-N 210.302 2.767 30 20 BFED C=C[C@@H](C)ON=C(C)c1ccc(CC(=O)O)cc1 844625571 SDRQOJKCXFWYGS-SNVBAGLBSA-N 247.294 2.629 30 20 BFED C=C(C)CONC(=O)N(C)C1CCCCCC1 845590958 WQECKMJRXGPCEN-UHFFFAOYSA-N 240.347 2.858 30 20 BFED CCc1nocc1CON=Cc1cccs1 848505636 MIFXAYAYELOWBG-UHFFFAOYSA-N 236.296 2.849 30 20 BFED C=CC(C)(C)CCOC(=O)c1ncoc1CC 851299650 TXGHJRQPFBPXOK-UHFFFAOYSA-N 237.299 2.996 30 20 BFED CCC(=NOCC1CCC1)C1CCOCC1 853439160 DKLFONKUBIKGGM-UHFFFAOYSA-N 225.332 2.996 30 20 BFED C#C[C@@](C)(CC)NC(=O)c1oc(C(C)C)nc1C 854704704 YOBSTXNWJFZFGT-AWEZNQCLSA-N 248.326 2.638 30 20 BFED CC[C@H](C)C(C)=NNc1ncc(Cl)cn1 857221491 CGFDWKZJAWAWSK-ZETCQYMHSA-N 226.711 2.964 30 20 BFED CCCCCCCNC(=O)OC[C@@H]1CCCO1 859247526 YCDDAENRVQPTQE-LBPRGKRZSA-N 243.347 2.862 30 20 BFED CCCCCCCNC(=O)[C@@H]1CCCS1 862358456 IHBAZZNCQMZGTI-NSHDSACASA-N 229.389 2.969 30 20 BFED C[C@@H]1CCCC1=NNCC(F)(F)C(F)(F)F 863179853 SNINPDAWZAPYDW-ZCFIWIBFSA-N 244.207 2.950 30 20 BFED C=C(Cl)CNc1cccc2c1OCC2 863356105 DKYOAGJXBOZFMP-UHFFFAOYSA-N 209.676 2.786 30 20 BFED C#CCCCN[C@@H]1CCc2cc(OC)ccc21 866274965 WJBGHUDBYVXWLA-OAHLLOKOSA-N 229.323 2.686 30 20 BFED C=CCC1(C(=O)NCCC(C)(C)OC)CCC1 871258263 IREHZPIJAJLTQR-UHFFFAOYSA-N 239.359 2.664 30 20 BFED C=CCC(F)(F)C(=O)Nc1nc(C(C)C)co1 875984259 FCZQMVHZBUZXIY-UHFFFAOYSA-N 244.241 2.948 30 20 BFED CC(C)(CC#N)CNC[C@H]1CC1(Cl)Cl 877583922 MTBBCGRBNLZAHB-MRVPVSSYSA-N 235.158 2.710 30 20 BFED C=CC(C)(C)CC(=O)Nc1ccc(CNC)cc1 884298621 YGJSGDXPSKWHOA-UHFFFAOYSA-N 246.354 2.947 30 20 BFED C=CC(C)(C)CC(=O)OC/C=C\Cl 884650050 XCYXQSAQLVQFMO-WAYWQWQTSA-N 202.681 2.884 30 20 BFED C=C1CCC(C(=O)N2CC[C@H](C)[C@H]2C)CC1 889350571 GRXOXODZZPFTKT-NWDGAFQWSA-N 221.344 2.990 30 20 BFED C#Cc1ccc(NC(=O)[C@H](C)CSC)cc1 891314005 FYINXJQGJCKCRP-SNVBAGLBSA-N 233.336 2.606 30 20 BFED C=CCC(C)(C)CNC(=O)NC/C=C/Cl 895044937 YTGVRWADPFLFJT-FNORWQNLSA-N 230.739 2.640 30 20 BFED N#C[C@@H]1CCCN(Cc2ccc(Cl)o2)C1 896506056 SBXFVXPBHBLDJC-VIFPVBQESA-N 224.691 2.669 30 20 BFED C=C1CN(C(=O)[C@@H](CC)Cc2ccccc2)C1 898696886 LRAZYGCPZSQSLV-AWEZNQCLSA-N 229.323 2.654 30 20 BFED C=C1CN(C(=O)[C@H](C)c2ccc(Cl)s2)C1 898698024 AIDLKHZQZNQDEO-MRVPVSSYSA-N 241.743 2.903 30 20 BFED Cc1ccc(C(=O)/C=C\C(=O)NC(C)(C)C)cc1 900093141 VYRIABKBEUOHIV-KTKRTIGZSA-N 245.322 2.649 30 20 BFED Cc1ccc(C=NOC2CCC2)cc1C(=O)O 901245275 BENWFDACPVJBCB-UHFFFAOYSA-N 233.267 2.596 30 20 BFED C=CCC[C@@H](NC1CCC(C)(C)CC1)C(=O)O 901693983 YATMUIFSHPHHIA-GFCCVEGCSA-N 239.359 2.964 30 20 BFED Cc1cc(C)c([C@@H](C)NCC2(C#N)CC2)c(O)c1 903106914 YLLWAZRVIXCKPB-GFCCVEGCSA-N 244.338 2.963 30 20 BFED C=C[C@@H](CC)Cc1nc(-c2cscn2)no1 904065253 RWNSXOJWEWPAQI-QMMMGPOBSA-N 235.312 2.948 30 20 BFED Cc1cc(O)c(CN2CCC[C@@H](C#N)C2)cc1C 905722598 MWHJVDVHYUATHI-ZDUSSCGKSA-N 244.338 2.745 30 20 BFED N#CCCCOC(=O)[C@H]1Cc2ccccc2S1 913251489 VRUDFWZFNPZISP-GFCCVEGCSA-N 247.319 2.550 30 20 BFED C=C(C)CNC(=S)N[C@@H]1CCCC[C@@H]1CC 915122250 ATQXSMWFFPBAGY-NWDGAFQWSA-N 240.416 2.995 30 20 BFED CC(C)CNN=Cc1ccc2ncccc2c1 916366871 ZNXROUAVSRQOMA-UHFFFAOYSA-N 227.311 2.814 30 20 BFED C#CCNC(=O)Nc1ccc(OCCC)cc1C 918053272 UPZUGIYDRAGLPI-UHFFFAOYSA-N 246.310 2.539 30 20 BFED CC(C)(CC#N)CNCc1cccc2c1OCC2 922179405 WJHSSOIPPAUVCG-UHFFFAOYSA-N 244.338 2.651 30 20 BFED C=C[C@H](CC)CC(=O)N(CCCC)CCCO 935241249 YGSZVMUEIUELEM-CYBMUJFWSA-N 241.375 2.600 30 20 BFED COc1cccc(C=NOC(C)(C)C)c1O 1116409507 YPKAIXGYPPCZGV-UHFFFAOYSA-N 223.272 2.550 30 20 BFED CCCCCCCC(=O)N1CC[C@@H](F)C1 1117821009 LDKISPKZGOHASZ-LLVKDONJSA-N 215.312 2.917 30 20 BFED CC(C)(C)C[C@@H]1C[C@H]1NC[C@H](C#N)CCC#N 1120560515 DPRIRRYWBPGHRJ-RWMBFGLXSA-N 233.359 2.844 30 20 BFED C=C(CC(C)C)C(=O)NC1(C#N)CCCC1 1123557456 SCKZLKUAFJSBNK-UHFFFAOYSA-N 220.316 2.541 30 20 BFED C=C(CC)C(=O)N(C)[C@H](CC)CSC 1123680367 IMKAWCYMJGUDPX-SNVBAGLBSA-N 215.362 2.553 30 20 BFED CC(C)(CCC#N)CNC(=O)NC/C=C/C1CC1 1326671176 ZBWWWGQSUMDOSU-HWKANZROSA-N 249.358 2.582 30 20 BFED C[C@H]1CCCCN1N=C1CCc2cccnc21 1330887035 JMEQGWDECROUMY-NSHDSACASA-N 229.327 2.606 30 20 BFED C=C[C@H](CC)CC(=O)Nc1cccnc1OC 1333361881 VZIRZQUSGBINNV-SNVBAGLBSA-N 234.299 2.631 30 20 BFED CC1(C)CC[C@@H]1NC(=O)c1ccc(C#N)cc1F 1335957241 VDMKPAUDZXAQEP-LBPRGKRZSA-N 246.285 2.616 30 20 BFED C#Cc1ccc(NC[C@H](CC(C)C)OC)nc1 1337192548 OMGQRDDVPVKHRJ-ZDUSSCGKSA-N 232.327 2.536 30 20 BFED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H]1F 1337608593 YRTBXSGKXZGMSO-MCIONIFRSA-N 247.313 2.648 30 20 BFED CC1(C)CC(C(=O)[C@@H](C#N)c2cccc(F)n2)C1 1344659160 XOUZJKARLYKTPV-JTQLQIEISA-N 246.285 2.833 30 20 BFED C=CCN(C(=O)c1nc(C2CC2)cs1)C1CC1 1349404436 RYCJKQVVWWRRAG-UHFFFAOYSA-N 248.351 2.811 30 20 BFED CC(C)[C@H](C)C(=O)OCCc1ccc(C#N)cc1 1350040533 JECICWNUXCNLKQ-LBPRGKRZSA-N 245.322 2.936 30 20 BFED N#Cc1cnc(NCCc2ccoc2)c(Cl)c1 1472831862 VBLRICQBRHYRNM-UHFFFAOYSA-N 247.685 2.854 30 20 BFED C#Cc1ccc(NCCOC(C)(C)CC)nc1 1515806779 XYVNRNGAPGGWRA-UHFFFAOYSA-N 232.327 2.680 30 20 BFED C=CC(C)(C)NCc1ccc(C(=O)O)c(F)c1 1588680859 IIHUCNYKFSYHNO-UHFFFAOYSA-N 237.274 2.578 30 20 BFED C=CC[C@]1(C(=O)O)CCN(CC/C=C\CC)C1 1776160474 GTUPTHUVVFPIHM-GXMNPTEKSA-N 237.343 2.696 30 20 BFED C=CCCCCN(C)c1cc(C(=O)O)ccn1 1776173755 SDESNSBOORVKPX-UHFFFAOYSA-N 234.299 2.572 30 20 BFED C=CCCCN(C)[C@@H]1CC[C@@H](CC(=O)O)C1 1776173857 ACVWGLARORBRRQ-VXGBXAGGSA-N 225.332 2.528 30 20 BFED C=CCN(C/C=C\C(=O)O)Cc1ccc(C)cc1 1776177626 AHGBXMTUVGJBAJ-PLNGDYQASA-N 245.322 2.624 30 20 BFED C=CCc1ccccc1CNCC(C)(C)C(=O)O 1776189458 BZVQSNSKAIXARO-UHFFFAOYSA-N 247.338 2.616 30 20 BFED N#Cc1ccc(NC(=O)c2ccccc2)cc1C#N 3157953 NLLQPDRTMYLOQW-UHFFFAOYSA-N 247.257 2.682 30 20 BFED C=CCOC(=O)c1cc(-c2ccc(C)cc2)n[nH]1 12110468 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30 20 BFED C=CC(C)(C)C(=O)N(C)c1ccc(C)cn1 297822897 QCSCJXODEQNNCO-UHFFFAOYSA-N 218.300 2.565 30 20 BFED N#Cc1sc(NCCC(F)F)nc1Cl 307396844 SVJRDEAJBQTSGY-UHFFFAOYSA-N 237.662 2.735 30 20 BFED CSCCON=C1CCCC[C@H]1C 308308940 PVCBXZOHGBILAU-SECBINFHSA-N 201.335 2.932 30 20 BFED C#CCSCCNC[C@H]1C(C)=CCC[C@H]1C 309774667 LJEOHOQVVOFXTO-KGLIPLIRSA-N 237.412 2.935 30 20 BFED C=CC[C@H](CC)Nc1cc(OCC)ncn1 309985341 YCBNNKKBYHZYNV-JTQLQIEISA-N 221.304 2.642 30 20 BFED CCN(C[C@H](C)C#N)c1cc(C(C)(C)C)ncn1 310882438 INMJEWLYSPIKSK-LLVKDONJSA-N 246.358 2.760 30 20 BFED CCc1nc(C)c(/C(O)=N/[C@@H](C)CC#N)s1 330393002 JUGQLVHZAKHZND-ZETCQYMHSA-N 237.328 2.621 30 20 BFED C[C@H](C#N)C(=O)Nc1ncc(C(C)(C)C)s1 334320529 ZYHXZTDHAQFCHN-SSDOTTSWSA-N 237.328 2.539 30 20 BFED C[C@@H]1CC2(CCC2)CN1c1cccnc1C#N 334400482 YKOMLDKVLYALKD-LLVKDONJSA-N 227.311 2.722 30 20 BFED N#C[C@@H]1CC[C@@H](NCC2=CCCCC2)C1 334654558 WUAQRECFJSNLET-CHWSQXEVSA-N 204.317 2.769 30 20 BFED C[C@@H]1CCCN(CC2(C#N)CCC2)[C@@H]1C 335161643 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30 20 BFED C=C[C@](C)(CCOC)c1nc([C@@H]2C[C@H]2C)no1 350172284 XBUVQFRTQHEGSW-GIPNMCIBSA-N 236.315 2.673 30 20 BFED N#C[C@H]1CC[C@@H](NCCc2ccccc2F)C1 351946580 FGJYQOWRCDHNSF-WCQYABFASA-N 232.302 2.650 30 20 BFED C=CCN1CCN(Cc2ccccc2)[C@@H](CC)C1 353567047 FTEJVYRLXGLRJX-INIZCTEOSA-N 244.382 2.769 30 20 BFED C=CCN(CCCc1ccc(C)nc1)C1CC1 354650979 PVPKZCRGMZPYDR-UHFFFAOYSA-N 230.355 2.973 30 20 BFED C=CCC[C@H](CC)N[C@H]1CCO[C@@H]1C1CC1 359880091 SFZRPOOVJHGOML-MELADBBJSA-N 223.360 2.888 30 20 BFED CC[C@@H](C)c1ncc(NC(=O)CCCC#N)cn1 360485353 BWFOVFPPXDSJOG-SNVBAGLBSA-N 246.314 2.622 30 20 BFED CN(Cc1cc(C#N)n(C)c1)C[C@@H]1CC=CCC1 361594053 LEIOEFAHIRLJOS-CYBMUJFWSA-N 243.354 2.685 30 20 BFED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1C1CC1 369751773 ZSYXEJNVVRSHPS-CHWSQXEVSA-N 236.359 2.925 30 20 BFED C#C[C@@H](CC)N[C@@H](C)Cc1ccccc1C 381572212 XWDPLGOKPACBAU-ZFWWWQNUSA-N 215.340 2.927 30 20 BFED C=C(Br)COC(=O)CCCC 381856324 NJAYIYGRPHWTSS-UHFFFAOYSA-N 221.094 2.628 30 20 BFED 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841601611 FWOPHFLEDHAQQS-PWSUYJOCSA-N 244.294 2.973 30 20 BFED CCC(=NNC[C@@H]1CCSC1)[C@@H]1C[C@@H]1C 841639900 WCRFECJRUMYCQE-GARJFASQSA-N 226.389 2.751 30 20 BFED CCCON=Cc1cc(F)ccc1OC 842550291 CSSTYMIQKDYOTP-UHFFFAOYSA-N 211.236 2.595 30 20 BFED CC1=C(C)C[C@@H](C(=O)O[C@@H](C)CC#N)CC1 842716491 HDYFFCHCIZYVDD-RYUDHWBXSA-N 221.300 2.968 30 20 BFED N#C[C@H](OC(=O)/C=C\C1CCCC1)C1CC1 842727745 SAGBEUIRODBTAJ-JECSTDCCSA-N 219.284 2.578 30 20 BFED C=C[C@H](C)ON=C(C)c1cccc2c1OCO2 844620263 IZSSZTWLNHJFEX-VIFPVBQESA-N 233.267 2.730 30 20 BFED C=C[C@@H](C)ON=C1CCc2cc(O)ccc21 844623193 AUDGQBYMZZBPTM-SECBINFHSA-N 217.268 2.634 30 20 BFED C#CCCCCCC(=O)OCc1ccns1 847832657 OXFSGBLPNYWMNM-UHFFFAOYSA-N 237.324 2.770 30 20 BFED C=CCCC[C@@H](C)OC(=O)c1cnc2n1CCC2 850924561 SVHKPRRPDFUHND-LLVKDONJSA-N 248.326 2.731 30 20 BFED C#CC1CCC(=NNC[C@@H]2CCSC2)CC1 853346642 HWVJOAOUIBHIMF-KIYNQFGBSA-N 236.384 2.509 30 20 BFED COc1ccc(CON=CC2CC2)cc1F 853734381 CBRPWHHFFSOROW-UHFFFAOYSA-N 223.247 2.747 30 20 BFED CCOc1ccc(NC(=O)C#CC(C)C)c(F)c1 854951147 QCAGGESOSANIHY-UHFFFAOYSA-N 249.285 2.822 30 20 BFED CC#CCCNC(=O)/C=C(/C)c1cccs1 857173305 CVNDLMHMOCVXDK-KHPPLWFESA-N 233.336 2.681 30 20 BFED C#CCCOC(=O)NCC(C)(C)C1CCC1 859178032 YBCCVUKONUBMQB-UHFFFAOYSA-N 223.316 2.562 30 20 BFED C#C[C@@H](NC(=O)C[C@H](C)c1ccco1)C(C)C 861511468 GFIQCSANCWQXHM-NWDGAFQWSA-N 233.311 2.547 30 20 BFED CCCCCCCNC[C@@H](O)c1ccccn1 863560844 RSSCZRNLLVPUGM-CQSZACIVSA-N 236.359 2.675 30 20 BFED Cc1ccc(C(=O)OC[C@@H](C)C#N)c(F)c1F 870247788 PCZAVMPJYCYDST-ZETCQYMHSA-N 239.221 2.590 30 20 BFED N#CCCCCNCc1nc(Cl)cs1 877018509 OHGYRVAKJXHSCF-UHFFFAOYSA-N 229.736 2.580 30 20 BFED C#CCCCCCCN[C@H]1CCCOCC1 877139765 ZFFPUVSUFXLGFT-AWEZNQCLSA-N 223.360 2.729 30 20 BFED C=CC(C)(C)CC(=O)NCc1ccncc1C 879576485 SLXLQGVMPPGFIX-UHFFFAOYSA-N 232.327 2.609 30 20 BFED Cc1ccc(N[C@H]2CC=CCC2)c(C#N)n1 881995892 BNLNVFDDJMLJOG-NSHDSACASA-N 213.284 2.782 30 20 BFED CCc1cc(N(CC)C[C@H](C)C#N)nc(CC)n1 892838516 GKXIJTLYOPAVFO-LLVKDONJSA-N 246.358 2.587 30 20 BFED C=CC1(OC(=O)c2cc(C)cs2)CC1 893358323 FNTJNAJQVJTTMA-UHFFFAOYSA-N 208.282 2.932 30 20 BFED C#C[C@@H](C)N(C)c1ccc(C(F)(F)F)nc1 893526827 LUHDZGFKIWVUBP-MRVPVSSYSA-N 228.217 2.558 30 20 BFED C=CCCCNCc1cnc(F)cc1C 894121803 XWKRDFCMHPEXNK-UHFFFAOYSA-N 208.280 2.585 30 20 BFED C=C1CC(c2noc(-c3cnn(C4CC4)c3)n2)C1 896873665 FKXXDYXDPDPHGS-UHFFFAOYSA-N 242.282 2.702 30 20 BFED C#Cc1ccc(N[C@H]2CCCOCC2)cc1 898498428 JBDIFKZSARUEHR-ZDUSSCGKSA-N 215.296 2.649 30 20 BFED C=CCC1(C(=O)N2CC(=C)C2)CCCC1 898702960 HCOVPVNGOKGNOW-UHFFFAOYSA-N 205.301 2.521 30 20 BFED CCn1cc(/C=C/C(=O)c2csc(C)c2)nn1 899380361 OGFCDUDZAXPWJK-SNAWJCMRSA-N 247.323 2.564 30 20 BFED C#Cc1ccc(NC[C@@H]2C[C@H]3CC[C@H]2O3)cc1 901517874 UPGFTZITSRLVIH-NWANDNLSSA-N 227.307 2.647 30 20 BFED C=CCC[C@H](N[C@H](CC)C1CCCC1)C(=O)O 901690038 JQUMEPVEHQTOIW-OLZOCXBDSA-N 239.359 2.964 30 20 BFED CC[C@H](NCCCC#N)c1cccc(C#N)c1 902951059 MWCPVGUUJONYPC-AWEZNQCLSA-N 227.311 2.903 30 20 BFED CC(=NN1CCC1)c1ccc(C(F)(F)F)cn1 905494179 ZGXWSIYGYVFNSW-UHFFFAOYSA-N 243.232 2.530 30 20 BFED N#Cc1ccnc(COC(=O)CC2CCCC2)c1 908702291 HVFQBFUOMYVCKE-UHFFFAOYSA-N 244.294 2.577 30 20 BFED C=C(CC)CNC(=O)/C(F)=C(\C)C1CC1 909388049 SZACMAYQAXCTJY-LUAWRHEFSA-N 211.280 2.722 30 20 BFED C=C[C@H](CC)CC(=O)OCC[C@H]1CCCC1=O 909525624 QDBMJPDNTBCLLP-VXGBXAGGSA-N 238.327 2.891 30 20 BFED C[C@H]1C[C@H]1c1ccc(C=NNc2cnccn2)o1 912962175 MCSLVRHVGFOBGQ-GXSJLCMTSA-N 242.282 2.639 30 20 BFED Cc1cccc(OCCC(=O)OCCCC#N)c1 916598173 UDEBNCLWNIHTOJ-UHFFFAOYSA-N 247.294 2.611 30 20 BFED C#CCCN(C)Cc1ccc(CC)cc1 920418192 XJJBUMPCAKGLET-UHFFFAOYSA-N 201.313 2.704 30 20 BFED C=C(CC)COC(=O)c1ccsc1C#N 923562361 IBRMWOGOVKWSCF-UHFFFAOYSA-N 221.281 2.743 30 20 BFED Cc1cccc2c1[C@@H](NCCCC#N)CC2 926133417 SHWYXYAPKKTVIT-ZDUSSCGKSA-N 214.312 2.876 30 20 BFED C=CCC[C@@H](O)CN(Cc1ccoc1)C1CC1 934005568 YXUKFDUQBKSTFL-CQSZACIVSA-N 235.327 2.571 30 20 BFED C=C[C@@H](CC)CC(=O)N1CC(C)(C)OC[C@@H]1C 935636076 VIUPHJQDTJQNJT-RYUDHWBXSA-N 239.359 2.615 30 20 BFED C#CCCCNC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 1117752904 VGASIQJZZZRHKM-YNEHKIRRSA-N 221.344 2.588 30 20 BFED C=C[C@@](C)(CC)c1nnc(-c2cccnc2)o1 1118421785 DXSNVHFRFSPKOU-ZDUSSCGKSA-N 229.283 2.985 30 20 BFED C=CCCCNC(=O)N[C@@H](C)c1ncccc1C 1122115792 TVMDGZSBJMXKDM-LBPRGKRZSA-N 247.342 2.716 30 20 BFED N#C[C@H]1CCCN(Cc2cccn2C(F)F)C1 1308936069 UGORZPKXDAJHCU-SNVBAGLBSA-N 239.269 2.619 30 20 BFED C=CCOC(=O)[C@@H]1Cc2ccc(C)cc2S1 1317800344 WLVFCAKXRBWEOE-LBPRGKRZSA-N 234.320 2.741 30 20 BFED C=C[C@H](COC)N[C@@H](C)c1ccc2c(c1)COC2 1325619419 FTPFECOJUPKEKR-XHDPSFHLSA-N 247.338 2.568 30 20 BFED C#C[C@@H](NCc1cccn1C1CC1)C(C)(C)C 1326445925 HGDIOAYKXJNWLO-CQSZACIVSA-N 230.355 2.961 30 20 BFED Cc1ccc(NN=Cc2ncc[nH]2)cc1Cl 1326996767 QXQWBBCMJIFDGL-UHFFFAOYSA-N 234.690 2.818 30 20 BFED C=C[C@@H](CC)CC(=O)NCc1ccsc1 1332736638 WFUFGOUMEUYCHA-JTQLQIEISA-N 223.341 2.967 30 20 BFED C#CC[C@H](C)OC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 1344683788 ATABGIDLYNOHOL-QNWHQSFQSA-N 218.296 2.544 30 20 BFED C=CCC(F)(F)C(=O)N[C@H]1CCC[C@@H](F)C1 1349431096 XFZCOJSMFZLQQX-BDAKNGLRSA-N 235.249 2.595 30 20 BFED CCCC[C@](C)(F)C(=O)N(C)[C@H](C)CC#N 1350038896 XIKMYAVYBLQEAF-PWSUYJOCSA-N 228.311 2.665 30 20 BFED N#Cc1cnc(Nc2ccc(F)cc2)c(F)c1 1559052720 YGQWDGFDXIJDCJ-UHFFFAOYSA-N 231.205 2.975 30 20 BFED C=C(Cl)CSCc1ccc(C(=O)O)cn1 1588643245 BHHIAOWYZIQNAI-UHFFFAOYSA-N 243.715 2.766 30 20 BFED CCC(CC)(C/N=C\c1ccccc1O)C(=O)O 1604992555 ODQVVBFGQOKVQW-DHDCSXOGSA-N 249.310 2.702 30 20 BFED CCCCCCCN[C@H]1C[C@@H](NC(=O)CC)C1 1752706703 JFDLRHFNDCQMBX-BETUJISGSA-N 240.391 2.604 30 20 BFED C=CC[C@]1(C(=O)O)CCCN(CC=C(C)C)C1 1776153162 PGIQKZQDFKJWRW-AWEZNQCLSA-N 237.343 2.696 30 20 BFED N#CCCN1C(=O)c2cccc3cccc1c23 2169344 PEVJDMVUXWILLB-UHFFFAOYSA-N 222.247 2.714 30 20 BFED N#Cc1ccc(C(=O)Nc2ccc(O)cc2)cc1 20211198 PXHWEMILIJIMHH-UHFFFAOYSA-N 238.246 2.516 30 20 BFED CN(Cc1cc(C#N)ccc1F)CC(F)(F)F 37501726 UYVPHQGZHVNWJL-UHFFFAOYSA-N 246.207 2.691 30 20 BFED C=CCNC(=O)c1ccc(NCC(C)C)cc1 37783552 BDKLGBSYBGDJOH-UHFFFAOYSA-N 232.327 2.670 30 20 BFED CO[C@@H]1CCC[C@H]1Nc1ccc(C#N)cc1C 50374354 BZGPCJMZRFGGJG-ZIAGYGMSSA-N 230.311 2.846 30 20 BFED C=CCCO[C@H](C)C(=O)NC(C)(C)CCC 50496867 LPXSKXBYTLFEBX-LLVKDONJSA-N 227.348 2.663 30 20 BFED C=CCN1CCC[C@@H]1Cc1ccccc1 55504887 YLGMSHXSNDTGGJ-CQSZACIVSA-N 201.313 2.880 30 20 BFED C=C(Cl)COc1cc(F)ccc1[N+](=O)[O-] 57476073 JAJVHYLNCATHHI-UHFFFAOYSA-N 231.610 2.865 30 20 BFED C=C(C)COc1cc([N+](=O)[O-])ccc1OC 57543978 GFYILCLYCUMZRL-UHFFFAOYSA-N 223.228 2.558 30 20 BFED C=C(C)CN(CC)C(=O)c1ccc([N+](=O)[O-])cc1 60624837 XSPNRFVLJDDOOG-UHFFFAOYSA-N 248.282 2.633 30 20 BFED CC[C@@H]1CCCN(c2ccnc(C#N)c2)C1 61814976 KWAFTVMVDOALSP-LLVKDONJSA-N 215.300 2.580 30 20 BFED COC(C)(C)C[C@@H](C)Nc1ncccc1C#N 78402281 FEUKAKDGTWQJSZ-SNVBAGLBSA-N 233.315 2.569 30 20 BFED N#C[C@H]1CCCN(CCCOc2ccccc2)C1 79828770 TXLDTIVOSHTTKC-CQSZACIVSA-N 244.338 2.691 30 20 BFED N#Cc1cccc(NC[C@@H]2CCCCS2)n1 87684983 BSUDHTFRDRFVQP-NSHDSACASA-N 233.340 2.651 30 20 BFED C[C@H]1CC[C@H](C)N(C(=O)C2(C#N)CCCC2)C1 88706422 DCGGTNGWKHZAAU-RYUDHWBXSA-N 234.343 2.717 30 20 BFED COCCCCO/N=C/c1ccccc1C 89720812 XEWZOEPTDJAPFB-SDNWHVSQSA-N 221.300 2.772 30 20 BFED C=CC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 111259255 GZZVKFLUZIWTQC-UHFFFAOYSA-N 246.310 2.993 30 20 BFED CCS[C@H]1CCCCN(CCC#N)C1 112088168 BGWCZDAFFYYUEA-NSHDSACASA-N 212.362 2.508 30 20 BFED C#CCCOc1ccc(OCCC)cc1 113272987 LFOASDAUKCVDPL-UHFFFAOYSA-N 204.269 2.878 30 20 BFED C=C(C)CNC(=O)CSCc1cccc(C)c1 122983341 WYNIFPCEBFSOLP-UHFFFAOYSA-N 249.379 2.921 30 20 BFED C#C[C@H](C)NCc1sccc1Br 123198294 VXPPCBCHODUCIK-ZETCQYMHSA-N 244.157 2.622 30 20 BFED Cc1csc([C@H](C#N)C(=O)[C@H]2CC2(C)C)n1 125903048 KBBIGCFVACVMDV-RKDXNWHRSA-N 234.324 2.674 30 20 BFED C=C[C@H](C)Nc1cc(C)nc(C2CC2)n1 129298743 JDXLJSROYHSTNC-QMMMGPOBSA-N 203.289 2.649 30 20 BFED CCCC[C@H](COC)NCc1cccc(C#N)c1 130636855 WVPLWJXOKVVHTL-OAHLLOKOSA-N 246.354 2.853 30 20 BFED CC(=O)Cc1ccc(OCC2(CC#N)CC2)cc1 130778609 KTYDBPIKTDQWOI-UHFFFAOYSA-N 243.306 2.891 30 20 BFED C=C[C@](C)(CC)C(=O)NCC1(CCOC)CC1 135130989 RAAWLHQFGCWBSY-CYBMUJFWSA-N 239.359 2.522 30 20 BFED C=CCCS[C@@H](C)C(=O)NC(C)(C)CC 151988238 NKHZPFFIXUTSGJ-JTQLQIEISA-N 229.389 2.989 30 20 BFED C=CC[C@@H](C)NC(=O)c1cncc(OC(C)C)c1 152364377 OVXNANKKPBLKCO-LLVKDONJSA-N 248.326 2.563 30 20 BFED CC#CCCOc1ccc(OC)c(F)c1 154864578 HSIOVGDUJPHYTM-UHFFFAOYSA-N 208.232 2.627 30 20 BFED CSCCN(C)CCCC(C)(C)C#N 162562177 AWEGRHMOXDUCKF-UHFFFAOYSA-N 214.378 2.611 30 20 BFED C=CCO/N=C/c1ccc(OCC)c(OC)c1 165319191 VGNHXFZBOIJGNU-GXDHUFHOSA-N 235.283 2.630 30 20 BFED C=CCCOC(=O)c1cc(-c2ccc(C)o2)n[nH]1 171484721 XSKOHOQTXFWHPT-UHFFFAOYSA-N 246.266 2.711 30 20 BFED C=CC1CCN(C(=O)Nc2ncccc2C)CC1 171810458 NCCNTYCHXYKKFF-UHFFFAOYSA-N 245.326 2.820 30 20 BFED C[C@@H]1CCN(c2ncc(C#N)cc2Cl)[C@@H]1C 175058210 INKDZSKKKXQEIU-RKDXNWHRSA-N 235.718 2.841 30 20 BFED Cc1cccc(C)c1NC(=O)N(C)CCC#N 176543459 WNXVBBTVNZPFEV-UHFFFAOYSA-N 231.299 2.681 30 20 BFED N#C[C@H](NC(=O)CC1CCC1)C1CCCCC1 176611436 NQEPFNAEQRKITN-ZDUSSCGKSA-N 234.343 2.765 30 20 BFED C#CCCCN[C@@H]1CCC[C@@H](C2CC2)C1 178059833 CXLSFXQUEHHMBB-ZIAGYGMSSA-N 205.345 2.958 30 20 BFED COc1ccc(C#N)cc1CSc1ncc[nH]1 178809360 RFAXULUTGBHTSP-UHFFFAOYSA-N 245.307 2.582 30 20 BFED N#CCCCCN[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 179120557 HLIUYCGIQRVULQ-IHRRRGAJSA-N 248.370 2.618 30 20 BFED C=CCNC(=O)c1cccn1C1CCCC1 179882510 GNYCLVLZPOFAJN-UHFFFAOYSA-N 218.300 2.519 30 20 BFED C[C@@H]1CCSCCN1Cc1cccc(C#N)c1 191813309 LHSAEKDNTXAETP-GFCCVEGCSA-N 246.379 2.886 30 20 BFED C#CCCCC(=O)N[C@H]1CCC[C@@H](CC)C1 192134297 QIYFHMWNWZDJQU-OLZOCXBDSA-N 221.344 2.875 30 20 BFED C#CCCCC(=O)N(CC(C)C)CC(F)(F)F 192178650 ZGANJERUGXSZKX-UHFFFAOYSA-N 249.276 2.837 30 20 BFED CCCCCN(C(=O)CSCC#N)C(C)C 192584455 CJTYTVSFXDUIFU-UHFFFAOYSA-N 242.388 2.670 30 20 BFED C=C(C)CN(C)C(=O)Nc1ccc(COC)cc1 192585615 UXGQNASIBWXAOQ-UHFFFAOYSA-N 248.326 2.873 30 20 BFED C=CCN1CCC(OCCC(C)C)CC1 193108291 LQGPNTBNHHXTQR-UHFFFAOYSA-N 211.349 2.700 30 20 BFED C=CCN(Cc1ccccc1F)C(=O)[C@H]1C[C@@H]1C 194222229 ACIBXEFYPCSHCX-AAEUAGOBSA-N 247.313 2.996 30 20 BFED CCOCCC/N=C\c1cc(Cl)ccc1O 255398036 LZRBEBMTOLWOGJ-ZROIWOOFSA-N 241.718 2.891 30 20 BFED CCCN(Cc1ccc(C#N)cc1)CC(C)(C)O 264074725 MZPPPAFYVMJLCT-UHFFFAOYSA-N 246.354 2.541 30 20 BFED C[C@@H](NCCC(C)(C)C#N)c1cccc(O)c1 272073865 ZVLZOPSYLGGRCM-LLVKDONJSA-N 232.327 2.983 30 20 BFED C=CCCN(C#N)c1ccc(OC)cc1 280055809 YNSQAZUZEQGEHR-UHFFFAOYSA-N 202.257 2.559 30 20 BFED C=CCCCC(=O)Nc1ccn(C(C)C)n1 280453415 LBNNLKKCZQIGKP-UHFFFAOYSA-N 221.304 2.759 30 20 BFED COc1cc(C#N)ccc1CN1CCC=C(C)C1 280699008 BZIJVVGTYVIZFF-UHFFFAOYSA-N 242.322 2.719 30 20 BFED C#C[C@@H](NC(=O)c1cc(C)ccc1C)C(C)C 281904203 GHZXQCNLCOYTAS-CQSZACIVSA-N 229.323 2.691 30 20 BFED CC[C@H](C)CCC(=O)Nc1ccn(CCC#N)n1 285370367 BWTACHVUPMXOGJ-NSHDSACASA-N 248.330 2.562 30 20 BFED C=C[C@@](C)(CC)C(=O)Nc1ccnc(OC)c1 289588336 IETRPEYQPJRWCM-ZDUSSCGKSA-N 234.299 2.631 30 20 BFED C=C[C@@H](CO)Nc1cc(C)c2ccc(C)cc2n1 291141545 NXNZMFUGJMRTFE-LBPRGKRZSA-N 242.322 2.810 30 20 BFED C=CC[C@@H](CC)NC(=O)c1oc(CC)nc1C 293738146 WYGHQYPDOZSSSV-SNVBAGLBSA-N 236.315 2.630 30 20 BFED C=CCC(C)(C)CNC(=O)c1ccc(C)o1 294078363 CHFAQCIMEAHNOK-UHFFFAOYSA-N 221.300 2.920 30 20 BFED C=CC(C)(C)C(=O)N(C)Cc1cccc(C#N)c1 294524570 WQYPSLFGZWQOPE-UHFFFAOYSA-N 242.322 2.729 30 20 BFED CC#CCN(C)C(=O)c1cc(C)c(F)c(C)c1 294543286 MIALRPNWDBIFQV-UHFFFAOYSA-N 233.286 2.538 30 20 BFED CC(C)=CCC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 295531812 FMPHMAXLCIZRBD-LLVKDONJSA-N 245.326 2.751 30 20 BFED C#C[C@@H](NCc1ccc(F)c(F)c1)C(C)C 300926533 NIQVVVWKBOAHRN-CYBMUJFWSA-N 223.266 2.712 30 20 BFED CC[C@@H](C)N/C(N)=N/CCCCC(C)(C)C 303409390 VEAWGELBTJXHNK-LLVKDONJSA-N 227.396 2.906 30 20 BFED CC[C@@](C)(C#N)C(=O)N1CC[C@@H](CC(C)C)C1 307781296 UQVYERVOWSPMTN-JSGCOSHPSA-N 236.359 2.821 30 20 BFED Cc1cc(C#N)cc(NCc2c(C)cnn2C)c1 308159524 WKDBEWGPOMUDGG-UHFFFAOYSA-N 240.310 2.521 30 20 BFED CCCCCCCN[C@H](C)c1noc(C)n1 310041547 YSEDIYZYXABNAB-SNVBAGLBSA-N 225.336 2.999 30 20 BFED COC1(CCNCC(C)(C)CCC#N)CCC1 310374946 ZFZXJZAJNXTDDF-UHFFFAOYSA-N 238.375 2.865 30 20 BFED CC(C)(C(=O)N1CCC[C@H](C#N)C1)C1CCC1 322470701 LTAFPSKPPBFWGH-LLVKDONJSA-N 234.343 2.575 30 20 BFED CN1[C@H]2CC[C@H]1CC(NCC(C)(C)CCC#N)C2 322849185 OKTGCAXBSIYLNP-KBPBESRZSA-N 249.402 2.531 30 20 BFED Cc1cc(C#N)ccc1NC[C@@](C)(O)C(C)C 328422043 ZGMPYQPNSDHOIF-CQSZACIVSA-N 232.327 2.686 30 20 BFED N#Cc1cnc(N2CCCC23CCC3)c(F)c1 334587928 SQHQGRJBFXWNFL-UHFFFAOYSA-N 231.274 2.615 30 20 BFED C[C@@H](C#N)N(C)C(=O)[C@@H]1CCCC(C)(C)C1 335377375 YTTZJJXBBSYAPO-WDEREUQCSA-N 222.332 2.573 30 20 BFED N#CC1(Cn2c(=O)sc3c(F)cccc32)CC1 335443146 ZXBNMSWQEDSYLV-UHFFFAOYSA-N 248.282 2.506 30 20 BFED CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CC12CCCC2 336040817 VYBRTQCUCWSVKI-MNOVXSKESA-N 234.343 2.621 30 20 BFED Cc1ccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)c(F)c1 336238456 WCSRLRUXDTWZAH-TVQRCGJNSA-N 232.258 2.622 30 20 BFED C[C@@H]1CCC(=O)[C@H](Oc2cc(F)cc(C#N)c2)C1 336269767 ITZWFHBRELROBT-YMTOWFKASA-N 247.269 2.834 30 20 BFED Cn1cnc2cc(N[C@H]3CC[C@@H](C#N)C3)ccc21 336342646 GWCJVWBMWNNRQC-MNOVXSKESA-N 240.310 2.677 30 20 BFED CC(C)[C@@](C)(C#N)NC(=O)[C@H]1CCCC1(C)C 336455459 OJJDIUPCIDFICK-BXUZGUMPSA-N 236.359 2.867 30 20 BFED C[C@@H](C#N)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 336549201 REGTYXVADOMFBS-GXFFZTMASA-N 242.322 2.685 30 20 BFED CC[C@H](F)CN[C@H](C)c1ccc(C#N)cc1 336732388 JLBMHNAMQLRJEW-MFKMUULPSA-N 220.291 2.957 30 20 BFED C=CCC[C@H](C)N[C@@H](CO)CC1CCCC1 336736392 IVACKDMACILVRD-GXTWGEPZSA-N 225.376 2.872 30 20 BFED C=CCOCCN1CC[C@H](c2ccccc2C)C1 338950967 BASBIUHSXRAEDR-HNNXBMFYSA-N 245.366 2.987 30 20 BFED C=CCCC[C@@H](C)NC(=O)N(C)C[C@H](C)C#N 343813025 NWJQXBKQXZYMKL-VXGBXAGGSA-N 237.347 2.532 30 20 BFED C=CCN(Cc1cccs1)[C@@H]1CCOC1 355723432 DXZNVRRITGVBLS-LLVKDONJSA-N 223.341 2.525 30 20 BFED CC#CCCCC(=O)N(C)[C@@H](C)CCC 362156033 XIMGEPMKOHCTTC-LBPRGKRZSA-N 209.333 2.827 30 20 BFED C=C[C@@H](C)NC(=O)Nc1ccc(N(C)C)cc1C 362616166 WJLREMKXSNAPSK-LLVKDONJSA-N 247.342 2.757 30 20 BFED 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30 20 BFED CSC1(CN[C@H]2CCC[C@H](C#N)C2)CCC1 193805327 ZHUVAJUVBAAFDT-RYUDHWBXSA-N 238.400 2.944 30 20 BFED C=CCCCCCn1c(C)csc1=O 195440581 XBFCXHXYDKWPTM-UHFFFAOYSA-N 211.330 2.965 30 20 BFED CC[C@H](C#N)C(=O)N(C)[C@H]1CCC[C@@H](C)C1 218409100 YRZIXVYZTPDKNP-UTUOFQBUSA-N 222.332 2.573 30 20 BFED CC[C@@H]1CCC[C@H](NC(=O)[C@@H](C#N)CC)C1 221577762 XENABAFNBMNYAL-UTUOFQBUSA-N 222.332 2.621 30 20 BFED C[C@@H]1CCCN1c1nccc(C#N)c1Cl 235262694 WAJJWXWKURFHEI-MRVPVSSYSA-N 221.691 2.595 30 20 BFED C[C@@H]1CN(CCCC#N)[C@H]1c1ccccc1 245435551 QLLWZAFZNVQLFN-TZMCWYRMSA-N 214.312 2.983 30 20 BFED CC1(C/N=C\c2ccc(O)c(O)c2O)CCCC1 255898891 VKQWZDHDOQKGJM-NVNXTCNLSA-N 249.310 2.803 30 20 BFED CC1(C)CCN([C@H]2CC[C@H](C#N)C2)CC1 260930324 IXAYMBIVPUFXNT-RYUDHWBXSA-N 206.333 2.801 30 20 BFED C#CCN(CC)C(=O)Nc1ccc(C)cc1F 267355957 VUYDZQHJTVVJSL-UHFFFAOYSA-N 234.274 2.621 30 20 BFED C#CCCN(Cc1ccc(F)cc1F)C1CC1 268681228 DSGHGPOAGAEFMY-UHFFFAOYSA-N 235.277 2.953 30 20 BFED C[C@H]1CCN(C(=O)C#Cc2ccccc2)C[C@H]1C 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236.359 2.965 30 20 BFED C=CCCC(=O)Nc1nnc(SCC)s1 338624477 RWPRLEDANXZWHV-UHFFFAOYSA-N 243.357 2.555 30 20 BFED CN(CCC#N)C(=O)C/C=C/c1ccccc1F 340830535 YZZWFGCAHTUDNH-QPJJXVBHSA-N 246.285 2.601 30 20 BFED C=CCCC1(C(=O)N[C@@H]2CSC[C@@H]2C)CC1 342441147 LYSAHXUZKWNSGK-WDEREUQCSA-N 239.384 2.601 30 20 BFED C=C(C)CNC(=O)Cc1cccc(C(F)F)c1 344591834 YRVHFDQEMHLMOT-UHFFFAOYSA-N 239.265 2.859 30 20 BFED Cc1cc(C)cc(C[C@@H](C)NC(=O)[C@@H](C)C#N)c1 346278785 GDIYFEKIXOMJLP-QWHCGFSZSA-N 244.338 2.510 30 20 BFED CC[C@@](C)(C#N)c1nc(C2(OC)CCCC2)no1 347056060 VYRSFVKGBXNJOH-LBPRGKRZSA-N 249.314 2.677 30 20 BFED C=C(C)COc1cccc(NC(=O)[C@H](C)C#N)c1 347126012 CHUINLMZZYZHAM-LLVKDONJSA-N 244.294 2.740 30 20 BFED C=C(C)CN1CCC(N[C@H]2CC[C@@H]2C2CC2)CC1 348115093 GYTRRDTZRIOWTK-CVEARBPZSA-N 248.414 2.805 30 20 BFED C=CCCCSCC1CCS(=O)(=O)CC1 348770846 OTVDYOYYWJGBPY-UHFFFAOYSA-N 248.413 2.511 30 20 BFED Cc1cc([N+](=O)[O-])ccc1OCC1(C#N)CC1 349141020 BUGMQHIUNFOTJH-UHFFFAOYSA-N 232.239 2.586 30 20 BFED 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C=CCCCCN1CCC2(CCO2)CC1 562541856 KHESWWJNHGKLJC-UHFFFAOYSA-N 209.333 2.598 30 20 BFED N#Cc1cccc(NC(=O)CSC2CCC2)c1 562707834 QWXHPZYIOODCIB-UHFFFAOYSA-N 246.335 2.782 30 20 BFED C=CCCCCN(C)CCc1ccncc1 565286355 OPQDKCSNTVANTC-UHFFFAOYSA-N 218.344 2.912 30 20 BFED C=CCCCCN1CCC(O)(CC)CC1 574759006 KVMXFFCRKIJRFB-UHFFFAOYSA-N 211.349 2.580 30 20 BFED Cc1ccc(/C=C\C(=O)c2ccnn2C)c(C)c1 588594529 RTTUEKXESGJBMI-SREVYHEPSA-N 240.306 2.933 30 20 BFED C[C@]1(C#N)CCCN(C(=O)C[C@@H]2CC[C@H]3C[C@H]23)C1 590705482 CUDYBYIEAJEUOJ-PWNZVWSESA-N 246.354 2.575 30 20 BFED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@]1(C#N)CC1(C)C 592635025 MKCRAUNUNAXBJF-RWSFTLGLSA-N 248.370 2.867 30 20 BFED C=CCN(C(=O)CC1(CSC)CC1)C1CC1 593115001 FNIZWWNMBNRYSZ-UHFFFAOYSA-N 239.384 2.697 30 20 BFED C=CCCSCCNCC(C)(C)C 594960897 ZVUZRGHOKOFFAL-UHFFFAOYSA-N 201.379 2.931 30 20 BFED C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](CC#N)C1 595497619 ONMGFAZJWCBYNG-UPJWGTAASA-N 249.358 2.510 30 20 BFED C=CC[C@H](CC)NC(=O)N1CCC[C@@H](CC#N)C1 595604682 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2.617 30 20 BFED C=CCCOCC(=O)N[C@@]1(C)CCCC[C@@H]1C 654671088 QOXHHDGJBXEBPA-JSGCOSHPSA-N 239.359 2.664 30 20 BFED C=CC[C@@H]1CCCC[C@@H]1NC[C@@H](C)CCO 657895125 ITKIPGTTYZXXDB-MJBXVCDLSA-N 225.376 2.729 30 20 BFED CC#CCCCC(=O)N1CC[C@H](C2CCC2)C1 665683344 VFDMCRSBEJBWSQ-AWEZNQCLSA-N 233.355 2.829 30 20 BFED C=C1CCN(Cc2nn(C)c3ccccc23)CC1 678243242 WOZRNGZRKSXAQO-UHFFFAOYSA-N 241.338 2.725 30 20 BFED C=C(C)CN(CC)C(=O)C1CCC(OC)CC1 681959554 ZQZJICQJESYVJF-UHFFFAOYSA-N 239.359 2.616 30 20 BFED C=C[C@H]1CCCCN1Cc1ccc(N(C)C)nc1 683843399 BWHWHNOELYKARH-AWEZNQCLSA-N 245.370 2.688 30 20 BFED CC[C@H](CC(F)F)CN1CCC(C#N)CC1 688722782 FLEPRSNWLPPVNX-SNVBAGLBSA-N 230.302 2.903 30 20 BFED C#CC1CCN(C(=O)c2cccc(Cl)c2)CC1 692286577 DPLSFRBUJIWFNO-UHFFFAOYSA-N 247.725 2.825 30 20 BFED C[C@@H](CC(C)(C)C#N)NC/C=C/C1CC1 695834081 AYGDBRGPFYZUHQ-ZWNMCFTASA-N 206.333 2.871 30 20 BFED C[C@H](N[C@H]1C=CCC1)c1ccc(C#N)cc1 700503927 AFNQORDJLQNVHU-FZMZJTMJSA-N 212.296 2.927 30 20 BFED N#CCN1CCC(C2CCCCC2)CC1 708763359 JVRFNPRJQBDTLN-UHFFFAOYSA-N 206.333 2.802 30 20 BFED Cc1cc(C)cc(CN=c2cc[nH]cc2C#N)c1 710343804 LVMJYHGQICOQOL-UHFFFAOYSA-N 237.306 2.604 30 20 BFED C#CCCCCCN1CC[C@@]2(C(=O)O)CCC[C@@H]12 711613995 HYSLMSTWFAPBES-HIFRSBDPSA-N 249.354 2.509 30 20 BFED C#CCOC(=O)/C=C(\C)c1ccccc1Cl 727627199 BYNITVWAWGMISD-MDZDMXLPSA-N 234.682 2.920 30 20 BFED CC(C)C[C@H](C(=O)OCC#N)c1ccccc1 741052531 YUSBMXKYNCOUNH-ZDUSSCGKSA-N 231.295 2.883 30 20 BFED N#Cc1ccc(C=NNc2cc(F)cc(F)c2)o1 743438640 NVMJZWYMXOBFIP-UHFFFAOYSA-N 247.204 2.875 30 20 BFED CC1(C(=O)OCc2ccc(F)cc2C#N)CCC1 750526935 JJRVTIUBHCBLDF-UHFFFAOYSA-N 247.269 2.931 30 20 BFED Cc1cc(C)c(O)c(CN(C)C[C@H](C)C#N)c1 754723289 MXBOHAYYOWAGNS-LLVKDONJSA-N 232.327 2.601 30 20 BFED CCCCCCC=NNc1cccnn1 755734112 UTPDYRCPBQPHCB-UHFFFAOYSA-N 206.293 2.845 30 20 BFED N#Cc1ccc(C=NO[C@@H]2CCCCO2)c(F)c1 755820509 NDEHFJLFUUCEMD-CYBMUJFWSA-N 248.257 2.574 30 20 BFED CNC(=S)NN=C[C@H](C)CC1CCCCC1 758068543 QFGZIEJIVLBVBB-SNVBAGLBSA-N 241.404 2.673 30 20 BFED CCC1(CC)C(=NOCC(F)F)C[C@@H]1OC 758906061 AGKCSFGQNOLUMO-VIFPVBQESA-N 235.274 2.849 30 20 BFED C=CCCC(=O)COC(=O)C[C@H](C)CCC 761391564 CHLJFXMPVVQSGS-LLVKDONJSA-N 226.316 2.891 30 20 BFED C[C@H]1CCC[C@@H](C=NNc2cnn(C)c2)C1 761861380 XYRQXMPWSVTOSX-WDEREUQCSA-N 220.320 2.644 30 20 BFED CO[C@H](C)C(C)=NNc1ccccc1F 763164965 OQMMTXKUYARSJY-SECBINFHSA-N 210.252 2.648 30 20 BFED CC#CCCOC(=O)c1cc(CC)ccc1O 765461164 LAEMAFYRRIKVNV-UHFFFAOYSA-N 232.279 2.525 30 20 BFED FC(F)C1CC(=Nn2cnc3ccccc32)C1 766016841 YCMHFTIOMOOOHZ-UHFFFAOYSA-N 235.237 2.916 30 20 BFED CCC[C@@H](C=NN1CCOCC1)c1ccccc1 769566341 CWHPDUYPTHJQDM-HNNXBMFYSA-N 246.354 2.888 30 20 BFED CC(C)CNN=Cc1cccc(F)c1F 771567703 RJBWHKYLDSJECK-UHFFFAOYSA-N 212.243 2.544 30 20 BFED CCCc1cccc(C=NN2CCCC2=O)c1 774396992 VISRBAXQUOJEKY-UHFFFAOYSA-N 230.311 2.595 30 20 BFED C=CCCC(=O)COC(=O)[C@H]1C[C@@]1(C)C(C)C 775083357 WVVIYCDFXMJKGN-OCCSQVGLSA-N 238.327 2.747 30 20 BFED C#CCCN1CCN(C2CC2)c2c(C)cccc21 775720445 IMPNMPIVPYGXGH-UHFFFAOYSA-N 240.350 2.807 30 20 BFED C[C@@H]1CCC[C@H](C=Nn2ccccc2=O)C1 776791285 HRTPZIIFJCYPGI-NEPJUHHUSA-N 218.300 2.509 30 20 BFED CCCNN=Cc1cccc(C)c1OC(F)F 777882552 AEIYTKSREGFDLL-UHFFFAOYSA-N 242.269 2.930 30 20 BFED CCCNN=C(CC)c1ccccc1F 778538986 ZZUKECUXIWRYNB-UHFFFAOYSA-N 208.280 2.939 30 20 BFED CCC(=O)O[C@H](C)c1cccc(C#N)c1 782024130 NWQXDQQOOVLGRN-SECBINFHSA-N 203.241 2.572 30 20 BFED Cc1ncc(C=NN[C@@H]2CCCC2(C)C)s1 782290629 ZMBNWALFXBQAJR-LLVKDONJSA-N 237.372 2.954 30 20 BFED CCC(=NN[C@@H](C)COC)c1cccc(F)c1 783523779 JZGBLAZDDRTIDV-JTQLQIEISA-N 238.306 2.564 30 20 BFED C[C@@H]1CCCC[C@H]1C=NNC1CCOCC1 783855927 VLHDNCAIWDHAMM-NEPJUHHUSA-N 224.348 2.567 30 20 BFED C[C@@H]1CCCC[C@@H]1C=NNc1ncc(F)cn1 783864727 ZFVIDHWHGJMFDQ-NXEZZACHSA-N 236.294 2.840 30 20 BFED C=C[C@](C)(CC)C(=O)OCc1cc(C)on1 785754030 NMUMECOHZHPEEY-GFCCVEGCSA-N 223.272 2.629 30 20 BFED C#CCn1c(C)csc1=Nc1ccsc1 790673939 NYCWEUMMKGBBHK-UHFFFAOYSA-N 234.349 2.785 30 20 BFED C#C[C@H](C)NC(=O)c1ccccc1CC(C)C 790907083 OJBTYMFHDYGIJD-LBPRGKRZSA-N 229.323 2.637 30 20 BFED CC[C@@H](C)CON=C(C)c1cc(C)n(C)n1 793158434 GBQIUPWAFBCCNO-SECBINFHSA-N 223.320 2.515 30 20 BFED C=CCNN=Cc1csc(-c2cccs2)n1 794994725 XISATPBZTBTZIA-UHFFFAOYSA-N 249.364 2.981 30 20 BFED C=C(C)CCOC(=O)[C@@H]1CCC(F)(F)C1 796733304 HCFBQFRDBBONHJ-SECBINFHSA-N 218.243 2.931 30 20 BFED C[C@@H](C#N)OCCN1Cc2ccccc2[C@@H](C)C1 801911578 MXJWPKMZYGATAR-STQMWFEESA-N 244.338 2.534 30 20 BFED C[C@@H](C#N)CNN=C1C[C@@H](C)c2ccccc21 807978601 XYSFAAXLIQJTOZ-WDEREUQCSA-N 227.311 2.647 30 20 BFED C#C[C@H](N[C@H](C)[C@@H](C)CCCC)[C@H]1CCCO1 808715014 ROFYKIUDXDXJLC-LJISPDSOSA-N 237.387 2.972 30 20 BFED CC(=NOCCC1CC1)c1coc(C)n1 814246151 UIPKECAAWKXYKX-UHFFFAOYSA-N 208.261 2.524 30 20 BFED C=CCOc1cc(F)c(Cl)cc1C=O 814781471 KJAZEYRVRYDWJH-UHFFFAOYSA-N 214.623 2.856 30 20 BFED CCON=C(COC)c1ccc(Cl)cc1 814788373 RGBWVOXDSXCFFJ-UHFFFAOYSA-N 227.691 2.727 30 20 BFED Cc1cc(F)ccc1NN=C[C@@H]1CCCOC1 814885137 OHWOMYMGFHHMNJ-NSHDSACASA-N 236.290 2.958 30 20 BFED FC(F)CON=C1CC[C@@H]1C1CCC1 814903977 LFZUYMRVVOGHSX-MRVPVSSYSA-N 203.232 2.834 30 20 BFED CCOC1CC(=NOC2CCCCC2)C1 814910031 OSGGVUQBMVPBDV-UHFFFAOYSA-N 211.305 2.891 30 20 BFED Cc1nc(C(C)C)ccc1C(=O)O[C@@H](C)C#N 815350090 FNZSKTXUPSKXPN-VIFPVBQESA-N 232.283 2.582 30 20 BFED CN(CC(C)(C)C#N)C(=O)/C=C/c1cccs1 817604764 AQYHTBGHRUHSLZ-VOTSOKGWSA-N 248.351 2.769 30 20 BFED CC#CCN(C)C(=O)/C(F)=C/C1CCCCC1 819249356 KGKQUQKUNOUYGO-QBFSEMIESA-N 237.318 2.902 30 20 BFED CCc1ccc(C=NN[C@@H](C)c2ccncc2)o1 819816944 SNUCQSROYHWGOZ-NSHDSACASA-N 243.310 2.922 30 20 BFED C#C[C@H](CCC)NC(=O)N(CC)CC1CCC1 820661822 XGBQAUFBCWMGSV-CYBMUJFWSA-N 236.359 2.620 30 20 BFED C=C(C)C(C)(C)C(=O)OC[C@@H]1C[C@H]1OCC 820873006 WUKHULZPLWTMCV-WDEREUQCSA-N 226.316 2.557 30 20 BFED Cc1ccccc1C[C@@H](C)NC(=O)C#CC(C)C 822697974 JYVMOCWDMCDHNS-CQSZACIVSA-N 243.350 2.702 30 20 BFED C=C[C@H](CC)CC(=O)NC(C)(C)COC(C)C 822775095 DCPYZGGNWRESNC-GFCCVEGCSA-N 241.375 2.909 30 20 BFED C=C[C@H](CC)CC(=O)Nc1c(C)cnn1CC 825271267 XJLWLHAAICQKDX-LLVKDONJSA-N 235.331 2.752 30 20 BFED C#C[C@@H](C)N(C)Cc1cc2c(C)cccc2[nH]1 825710631 WAWPAMOUJHESBL-GFCCVEGCSA-N 226.323 2.930 30 20 BFED C#CCCCCNC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 826882052 FETYMGHQDCMKAA-BFHYXJOUSA-N 235.371 2.978 30 20 BFED C=CCC[C@@H](O)CN(c1ccccc1)C1CC1 832160030 AVTORMBYNMCHKR-OAHLLOKOSA-N 231.339 2.983 30 20 BFED C=C(C)COC(=O)[C@@H]1CC12CCSCC2 835078186 DVPBYUVRDLSKCR-JTQLQIEISA-N 226.341 2.639 30 20 BFED C=CCC[C@H](OC(=O)[C@H]1CC1(F)F)C1CC1 835243110 HOJIVWNDPMXWEJ-ZJUUUORDSA-N 230.254 2.930 30 20 BFED C=C[C@H](OC(=O)[C@H]1CC1(F)F)C(C)(C)C 835392001 UGLFGIJEENUTFU-SFYZADRCSA-N 218.243 2.786 30 20 BFED C#C[C@@H](NC(=O)NCC(C)(C)C=C)C(C)(C)C 836460351 JXWPNJOHVHKQPN-LLVKDONJSA-N 236.359 2.546 30 20 BFED COc1ccc(NC(=O)C#CC(C)(C)C)cc1F 837349773 MDYDGGAPPBJSNE-UHFFFAOYSA-N 249.285 2.822 30 20 BFED CO[C@H](C=NNc1ncccc1C)CC(C)C 841638337 PVRWHHCHJGCKSS-LBPRGKRZSA-N 235.331 2.849 30 20 BFED CCCC(=NN(C)C(=S)NC)C1CCCC1 841646032 DFEQLIBOOUYWAZ-UHFFFAOYSA-N 241.404 2.769 30 20 BFED C=C[C@H](CC)OC(=O)[C@H](CC(C)C)OC 842331130 XNKJDFSUAVIZDS-MNOVXSKESA-N 214.305 2.555 30 20 BFED C=CCCCCCCNC(=O)c1ccn(CC)n1 843593504 ASIHSTIISALASP-UHFFFAOYSA-N 249.358 2.769 30 20 BFED COc1ccc(NC[C@@H]2CCSC2)cc1C#N 846752708 GRKAFXUOGMYPLT-JTQLQIEISA-N 248.351 2.732 30 20 BFED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@]1(C)CC1(F)F 851205061 GKOPDPKMVFUPQU-GZMMTYOYSA-N 245.269 2.903 30 20 BFED C[C@@H](CC(C)(C)C#N)OC(=O)C1CC(F)(F)C1 851210333 UACVWUVOGOHJLT-QMMMGPOBSA-N 245.269 2.903 30 20 BFED CC(C)C#CC(=O)N[C@@]1(C)CCCC[C@@H]1C 854904206 PWVKHLHJZXBLAU-JSGCOSHPSA-N 221.344 2.731 30 20 BFED C=CCN(C(=O)C=C1CCCC1)[C@@H](C)COC 855371729 HWRRQAZWICZOQJ-LBPRGKRZSA-N 237.343 2.536 30 20 BFED CCCCCCCNC(=O)c1ccc(C=O)[nH]1 862358339 CYIFWRTTXNSFFP-UHFFFAOYSA-N 236.315 2.527 30 20 BFED CCC[C@H](C(=O)NO)c1cccc(Cl)c1 863857017 XXJBNOVUNNNKTO-JTQLQIEISA-N 227.691 2.729 30 20 BFED CC(C)=NNc1ccc(C(F)(F)F)cn1 864340273 UAUPPTCMXWPNEH-UHFFFAOYSA-N 217.194 2.908 30 20 BFED C[C@H](C#N)OC(=O)CC(C)(C)c1ccc(F)cc1 869860810 MKBMPLGNLYDHAU-SNVBAGLBSA-N 249.285 2.949 30 20 BFED C#C[C@@H](NC[C@@H]1CC1(Cl)Cl)C(C)(C)C 877534815 NZUYHJUVIDUIIC-DTWKUNHWSA-N 234.170 2.818 30 20 BFED C=C1CCC(C(=O)O[C@@H](C)c2ccnn2C)CC1 890326859 PQDXVAVISQHBIT-NSHDSACASA-N 248.326 2.771 30 20 BFED C=C1CCC(C(=O)Nc2nc(CC)co2)CC1 890403944 NUWZASCHDZPWQO-UHFFFAOYSA-N 234.299 2.922 30 20 BFED C#C[C@@H](C)NC(=O)N1Cc2ccccc2[C@H]1CC 895678910 JAEYUIWPSWDRJH-BXUZGUMPSA-N 242.322 2.685 30 20 BFED C=C1CC(c2noc([C@@]3(C)CCCCO3)n2)C1 896874701 TUOVOLKTOIZZDS-CYBMUJFWSA-N 234.299 2.919 30 20 BFED C=C1CN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 898703077 JDGQENHYFNCOLP-HIFRSBDPSA-N 227.307 2.579 30 20 BFED CO[C@@H](C)C(C)=NNc1c(F)cc(F)cc1F 901321719 ZHPUJAOHQOCGID-ZETCQYMHSA-N 246.232 2.927 30 20 BFED C[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)C1CC1 920178845 XWGHSOGRZPVEBP-PFMRQGHBSA-N 248.282 2.765 30 20 BFED C#CCN(C(=O)/C=C/c1ccsc1)C(C)C 928624676 WJOJEPWYXCCEDN-AATRIKPKSA-N 233.336 2.632 30 20 BFED C=CCN(Cc1ccc(Cl)nn1)C(C)(C)C 931018169 YRDPEPBFHHEGSY-UHFFFAOYSA-N 239.750 2.917 30 20 BFED Cc1cccc2oc(C(=O)NC[C@H](C)C#N)cc12 932473367 WOBKHHUJTSGYKK-SECBINFHSA-N 242.278 2.631 30 20 BFED C#CCCCNC(=O)c1ccsc1C(F)F 933691341 OBQJIQKHKKHWJY-UHFFFAOYSA-N 243.278 2.829 30 20 BFED C[C@@H]1CN(C(=O)c2csc(C#N)c2)C(C)(C)C1 1119438729 NDFZBRVSOMDFFD-VIFPVBQESA-N 248.351 2.880 30 20 BFED C=CCCC[C@@H](N)C(=O)NC(CC)(CC)CC 1121965150 HRRDYSGWOAOOEC-GFCCVEGCSA-N 240.391 2.755 30 20 BFED CC(C)c1nocc1C(=O)O[C@@H]1CC[C@@H](C#N)C1 1122655711 SXOWKYKVLOREIW-NXEZZACHSA-N 248.282 2.647 30 20 BFED C=C(C)CCC(=O)N[C@@H](C)[C@](C)(OC)C1CC1 1262628846 IOQHZCGBUUUPBT-FZMZJTMJSA-N 239.359 2.663 30 20 BFED C=C[C@@H](C)OC(=O)c1ccc(C(C)=O)c(C)c1 1263470571 GWTUTOFOTCHLLD-SNVBAGLBSA-N 232.279 2.929 30 20 BFED Cc1coc(C(=O)N2CCC[C@](C)(C#N)C2)c1C 1329137611 OYEBUYDXCIVULX-CQSZACIVSA-N 246.310 2.662 30 20 BFED Cc1nc([C@@H](C)Nc2ccc(C#N)cc2C)no1 1333724956 UPPZIRLWKNHTEC-SECBINFHSA-N 242.282 2.731 30 20 BFED C=C1CCC(C(=O)NCc2coc(CC)n2)CC1 1334165398 XDFKIELWNJUBOV-UHFFFAOYSA-N 248.326 2.600 30 20 BFED C=C(C)CCC(=O)Oc1cccc(OCC#N)c1 1338199337 LHMJYWITAJFGOM-UHFFFAOYSA-N 245.278 2.851 30 20 BFED C=C(C)CCC(=O)N[C@@H]1CC[C@H](SC)C1 1338404680 WQBKVRLSEVWFEC-MNOVXSKESA-N 227.373 2.743 30 20 BFED N#Cc1cc(C(=O)O[C@H]2C[C@H]3CC[C@H]2C3)cs1 1341929306 HCOLGUPYMCPDOX-AUTRQRHGSA-N 247.319 2.965 30 20 BFED C=C[C@H](CC)CC(=O)OCC1(CC)COC1 1342812323 ORQMGZHIRWKRTK-LLVKDONJSA-N 226.316 2.559 30 20 BFED C=CCC[C@H](C)OC(=O)c1ocnc1CC 1343050356 MSABLJPPNITHOE-VIFPVBQESA-N 223.272 2.749 30 20 BFED C=C(CC)C(=O)Nc1ccc(O)cc1C 1351677324 VPTVDLTXNGPZFB-UHFFFAOYSA-N 205.257 2.605 30 20 BFED C=C(C)CCC(=O)N1CCCO[C@@H](C(C)C)C1 1358265901 YDAFVVXQQAJMMS-CYBMUJFWSA-N 239.359 2.616 30 20 BFED C=C(CC)C(=O)N[C@H]1CSc2ccccc21 1519491090 DUQNHVVRXUMGBK-NSHDSACASA-N 233.336 2.916 30 20 BFED C=CCCCCn1nc(C(=O)O)c2c1CCCC2 1588802696 UELVTLSLVDSJBU-UHFFFAOYSA-N 248.326 2.816 30 20 BFED C=CCC[C@@H](CCC)NCC(C)(C)C(=O)O 1602857278 PDKXPSLPTJOWIY-LLVKDONJSA-N 227.348 2.822 30 20 BFED Cc1cccc(CNc2n[nH]c(C)c2C#N)c1F 1656387514 XBJDYLXYUKXDPZ-UHFFFAOYSA-N 244.273 2.649 30 20 BFED C=CC(=O)Nc1ccc(C#N)cc1C1CC1 1887497218 SBVRQXYKCROHPH-UHFFFAOYSA-N 212.252 2.560 30 20 BFED N#Cc1ccnc(NCc2ccc(F)cc2)c1 19518572 UMXVWKPVHBPNKF-UHFFFAOYSA-N 227.242 2.704 30 20 BFED C[C@H](N[C@H](C)CC#N)c1ccc(F)cc1 49506091 XDGAPTWTZIGNQG-ZJUUUORDSA-N 206.264 2.778 30 20 BFED CC[C@H](C)Oc1cccc(NC(=O)[C@@H](C)C#N)c1 51781350 ZJCASCHNIDDMTG-QWRGUYRKSA-N 246.310 2.962 30 20 BFED Cn1ccnc1CNc1ccc(Cl)c(C#N)c1 51921990 WRMDQVYHZBTDAW-UHFFFAOYSA-N 246.701 2.557 30 20 BFED CCC(C)(C)C(=O)Nc1cccc(OCC#N)c1 54403092 RKJLPIXQGDUOMY-UHFFFAOYSA-N 246.310 2.964 30 20 BFED Cc1ccc(C(=O)N(C)[C@H](C)CC#N)c(C)c1 63093720 CYDAUALYNFJSHI-GFCCVEGCSA-N 230.311 2.678 30 20 BFED C=CCN(CCOCC)Cc1cccc(C#N)c1 63388252 MNXSPAOTQRVBFN-UHFFFAOYSA-N 244.338 2.583 30 20 BFED CSCCCNCc1ccc(C#N)cc1F 69001459 SSYRTOWNRNPXOU-UHFFFAOYSA-N 238.331 2.540 30 20 BFED 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30 20 BFED CCS[C@@H]1CCCCN(CCCC#N)C1 365231236 WJWHVXWTPTVKPN-GFCCVEGCSA-N 226.389 2.898 30 20 BFED C=C[C@H](COC)N[C@H](C)c1ccc(C)cc1 393781451 PLYGZJMJIVPCEY-TZMCWYRMSA-N 219.328 2.847 30 20 BFED N#Cc1ccc(CN2CC3(CCC3)C2)cc1F 404578925 VXUWOXFSTHBRHC-UHFFFAOYSA-N 230.286 2.683 30 20 BFED N#Cc1ccc(CN2CCCC(F)(F)C2)cc1 404788555 NGGMHPYPKIJUDY-UHFFFAOYSA-N 236.265 2.789 30 20 BFED CCC[C@@H](OC)C(=O)Nc1ccccc1CC#N 410828421 NRQFQKKBLXBTNL-CYBMUJFWSA-N 246.310 2.506 30 20 BFED CCN(CC#N)Cc1cnc2ccc(C)cc2c1 411212028 JKTLZCOKFUBQHX-UHFFFAOYSA-N 239.322 2.889 30 20 BFED C=CCC[C@@H](NCCC[C@H]1CCCN1)C1CC1 423489108 WAXMSDUWZWWPCY-HUUCEWRRSA-N 236.403 2.853 30 20 BFED CC[C@@H]1CC[C@@H](C)N1C(=O)N[C@@H]1CC[C@H](C#N)C1 425855472 ZQPKFLTZJXGKEJ-YVECIDJPSA-N 249.358 2.651 30 20 BFED CC(C)Oc1ccc(N(C)C(=O)[C@@H](C)C#N)cc1 430531058 IFBOQFGCWMXIJD-NSHDSACASA-N 246.310 2.596 30 20 BFED C=CCN(C)Cc1ccc2c(c1)OCCCCO2 449260942 YKGKOOCQCODSRM-UHFFFAOYSA-N 247.338 2.856 30 20 BFED 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30 20 BFED C=C(C)[C@H](CC(=O)NC1(C(C)C)CC1)OCC 357190231 PKYVZYJFAUMYJN-LBPRGKRZSA-N 239.359 2.663 30 20 BFED CC#CCN(CCOC)[C@@H](C)c1ccccc1 357628899 NOKILTDBPWLVIY-AWEZNQCLSA-N 231.339 2.719 30 20 BFED CCN(CCC#N)CCO[C@H]1CCCC[C@H]1C 357935117 XBFNPUZMGPSUTL-KGLIPLIRSA-N 238.375 2.817 30 20 BFED C=C(CC)COc1ccc(C(=O)N(C)C)cc1 358664126 KTMHGSFFZSUKBS-UHFFFAOYSA-N 233.311 2.733 30 20 BFED C=CCN(C(=O)[C@@H]1C[C@]1(C)C(C)C)C1CC1 359496221 WKXVACKOSLMRPO-GXTWGEPZSA-N 221.344 2.846 30 20 BFED C[C@@H]1C[C@@H]1CC(=O)N[C@@H](C#N)c1ccccc1F 362124147 RNWXTHCBUGRBGB-BREBYQMCSA-N 246.285 2.553 30 20 BFED C=C[C@H](C)NC(=O)N1CCC[C@H]2CCC[C@H]21 362368643 BWDJSIZTBOEMIW-QJPTWQEYSA-N 222.332 2.535 30 20 BFED C=C[C@@H](C)NC(=O)c1sccc1CC 362603578 YUAPTAGXAAFIIE-MRVPVSSYSA-N 209.314 2.615 30 20 BFED C=CCN=c1[nH]c2c(s1)Cc1ccccc1-2 380531717 DPAHJFYNQDPOIR-UHFFFAOYSA-N 228.320 2.734 30 20 BFED C#C[C@H](CC)NCCSCc1ccccc1 381466344 MSMREACMRJDFTA-CQSZACIVSA-N 233.380 2.921 30 20 BFED C=CCOCCN[C@@H](C)[C@@H]1CC2CCC1CC2 382025191 BHHLEBJHVILCGY-PPWQZUPISA-N 237.387 2.993 30 20 BFED C=CCCCN(C)Cc1cc(C(=O)O)oc1C 382527131 HLKJRQDFZJPCQR-UHFFFAOYSA-N 237.299 2.684 30 20 BFED CC[C@@H]1CC[C@@H](C)N(C(=O)C2(C#N)CCC2)C1 383865746 ZUJLRZBRJDDHPX-VXGBXAGGSA-N 234.343 2.717 30 20 BFED C=CCCNc1nc(C)c(C#N)cc1Cl 389658126 ZXGUVIAQJRPBHZ-UHFFFAOYSA-N 221.691 2.903 30 20 BFED C[C@H](CCC#N)N1CCOc2c(F)cccc2C1 411683240 YWNAXYHDXIBTCQ-LLVKDONJSA-N 248.301 2.712 30 20 BFED CCOC(=O)C[C@@H](C)S[C@@H](C)CCC#N 412998521 XYANIJXBHFEVFX-VHSXEESVSA-N 229.345 2.754 30 20 BFED CC[C@@]1(C(C)C)C[C@@H]1N=c1ccc(C#N)c[nH]1 413384465 QPLVRMMKEOSGJX-JSGCOSHPSA-N 229.327 2.612 30 20 BFED N#CC1(CNCc2c(F)cccc2F)CCC1 418138191 GCRNIKBLZGYEMU-UHFFFAOYSA-N 236.265 2.748 30 20 BFED C=CCC[C@@H](CCC)N[C@@H]1CCCC[C@H]1N 424377534 RICAPWINAWHHMP-MGPQQGTHSA-N 224.392 2.981 30 20 BFED C=C(C)C(C)(C)C(=O)Nc1ccc(CCO)cc1 424721100 UVSRCGUHBHEWQB-UHFFFAOYSA-N 247.338 2.762 30 20 BFED C=C(C)C(C)(C)C(=O)Nc1cc(OC)ccc1O 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20 BFED CC[C@H](C#N)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 593485978 FBLJTVFGPIOUCF-KGYLQXTDSA-N 234.343 2.621 30 20 BFED CCc1cccc(OCCN(CC)[C@H](C)C#N)c1 595813553 VIBANNKFXAZCCA-CYBMUJFWSA-N 246.354 2.862 30 20 BFED N#Cc1cn(CCCCF)c(=O)c2ccccc12 596314995 VTGZDBYDTWFYOO-UHFFFAOYSA-N 244.269 2.623 30 20 BFED Cc1cccc2c1N(Cc1cccc(C#N)n1)CC2 602597350 BASQBMPOMNLKMF-UHFFFAOYSA-N 249.317 2.824 30 20 BFED C[C@@]1(C#N)CCCN(Cc2ccc(Cl)cn2)C1 612165067 IMGJWNCVOPOLHD-ZDUSSCGKSA-N 249.745 2.861 30 20 BFED CCC[C@H](C(=O)N1CC[C@](F)(C#N)C1)C(C)C 615580786 BXCPSHYTKQEKBQ-AAEUAGOBSA-N 240.322 2.523 30 20 BFED Cc1ccnc(CSc2ccc(C#N)cn2)c1 616209937 HGTHWBQDCVLNOS-UHFFFAOYSA-N 241.319 2.949 30 20 BFED C=CC[C@H]1CCCN(C(=O)c2ccc(OC)o2)C1 617777686 UYUGJEYUJWYYQR-NSHDSACASA-N 249.310 2.717 30 20 BFED C=C[C@H](N[C@H]1CCC[C@H]1CCCC)C(=O)OC 619721120 UNQAOBHHBGDDQG-AGIUHOORSA-N 239.359 2.663 30 20 BFED C=CCCCN1Cc2cccc(OC)c2C1 626021536 FXBQEEFVCGAYDL-UHFFFAOYSA-N 217.312 2.977 30 20 BFED C=C1CCN(C(=O)c2c[nH]cc2C2CC2)CC1 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2.832 30 20 BFED C#CCN(CC)Cc1coc2ccccc12 769108101 YXVBLZUAIWBCHI-UHFFFAOYSA-N 213.280 2.888 30 20 BFED C#CC[C@H](N[C@@H]1CCCOCC1)c1ccccc1 773116226 QWHOWHMLYOXRMX-CVEARBPZSA-N 243.350 2.910 30 20 BFED C1C[C@@H]2[C@@H]3C[C@H](CC3=NOC3CCOCC3)[C@@H]2C1 774453105 NKRHVUSHENCUTJ-SAXRGWBVSA-N 249.354 2.994 30 20 BFED N#CC1(COC(=O)CCCC(F)(F)F)CC1 775880396 GWMRHCGUYFWDRB-UHFFFAOYSA-N 235.205 2.566 30 20 BFED Cc1c(O)cccc1C(=O)OCCC(C)(C)C#N 776396699 MTRXIRMHHJRALE-UHFFFAOYSA-N 247.294 2.797 30 20 BFED C#CCCN(C)c1ccc(F)c(Cl)c1 776602460 LWDYRFMDQYGFIY-UHFFFAOYSA-N 211.667 2.939 30 20 BFED COc1ccc(NN=C(C)c2ccsc2)nc1 780271081 OMAPUDUFPYCUIC-UHFFFAOYSA-N 247.323 2.988 30 20 BFED C#CCCCCCC(=O)N1CC[C@H]1C(C)C 781018518 XTDKHBPZEOEDFK-ZDUSSCGKSA-N 221.344 2.827 30 20 BFED CC[C@H](C#N)OC(=O)c1c(F)cc(F)cc1F 781186157 GRQRXSAGNCPXLA-SSDOTTSWSA-N 243.184 2.563 30 20 BFED CC#CCOC(=O)C1(C)CCCCCC1 781300984 JTEMGNPHYVBNJH-UHFFFAOYSA-N 208.301 2.913 30 20 BFED C[C@H]1CC[C@H]1Nc1ccc(F)cc1OCC#N 783659148 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N#Cc1ccccc1C=NOC/C=C/Cl 811672453 ZIPUSCNKEWAYEK-PSWGYPDDSA-N 220.659 2.661 30 20 BFED C=CC(C)(C)COC(=O)[C@@]1(C)CC1(F)F 817740598 ORYOBUISQDMOOA-SNVBAGLBSA-N 218.243 2.787 30 20 BFED C/C=C\C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 819737144 SXCMWDKUMHUMOZ-QZPNVGJNSA-N 228.295 2.654 30 20 BFED C[C@@H](Cc1ccc2c(c1)CCCC2)NCCC#N 825720147 AUTJNYQOHNLOBQ-ZDUSSCGKSA-N 242.366 3.000 30 20 BFED C#Cc1cnc(N[C@H]2CCC[C@@H](C)CC2)nc1 828000665 WNGZBLXMKAZTOR-YPMHNXCESA-N 229.327 2.839 30 20 BFED C=C[C@H](CC)CC(=O)NCc1ccc(C)o1 828239126 OOBFLVSJTUVONE-LLVKDONJSA-N 221.300 2.807 30 20 BFED C[C@@H](CC(C)(C)C#N)NCCCCn1ccnc1 829180427 UMGFCQIDFHMLIG-ZDUSSCGKSA-N 248.374 2.581 30 20 BFED CCn1nnc(C)c1/C=C\C(=O)c1cccs1 834398470 KOMZENXALSWZOY-SREVYHEPSA-N 247.323 2.564 30 20 BFED C[C@H]1CC[C@H](C)C(=NNc2ncc(F)cn2)C1 834966980 QYWJSGLRYHOPNQ-IUCAKERBSA-N 236.294 2.840 30 20 BFED Cc1cc(C=NN[C@H](C)C(F)(F)F)c(C)o1 834998636 WFOOBPCKVQGTNL-MRVPVSSYSA-N 234.221 2.771 30 20 BFED COc1ccc(F)cc1C=NOC(C)C 835000016 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CC(=NOC1CCCC1)[C@@]1(C)CCCO1 782269723 ZMHQVUVVGUNGJO-GFCCVEGCSA-N 211.305 2.891 30 20 BFED C[C@@H]1CC(=NNC2CCCCC2)CN1C1CC1 786043366 NMNQHJJLAQIRMC-LLVKDONJSA-N 235.375 2.521 30 20 BFED CCOc1cccc(C=NN[C@@H](C)CC)c1O 790188155 DZIFVAUBTJVSAS-JTQLQIEISA-N 236.315 2.513 30 20 BFED CO[C@@]1(C)CC(=NNc2ncccc2C)C1(C)C 790190718 KZYJQASPGWIYOW-AWEZNQCLSA-N 247.342 2.993 30 20 BFED Cc1cnn(C)c1/C=C1\Cc2ccccc2C1=O 794690599 JRXVTIDNQOJEPJ-XYOKQWHBSA-N 238.290 2.551 30 20 BFED C[C@@H]1CSCC1=NNc1ccc(C#N)cc1 794896580 LXIRZOYHYWSSQO-SECBINFHSA-N 231.324 2.709 30 20 BFED C(=NNc1cccnn1)c1ccc2occc2c1 794909689 VENPLQXKWILAFN-UHFFFAOYSA-N 238.250 2.669 30 20 BFED Cc1cc(C)c(C=NNc2cccc(F)n2)[nH]1 795007445 ZSHAKFVSOXIEIW-UHFFFAOYSA-N 232.262 2.612 30 20 BFED C[C@@H]1CCC[C@H]1C/N=C/c1cccc(O)c1O 798343955 VKAZJLJUSDWFKF-JDTFSJQSSA-N 233.311 2.953 30 20 BFED COCC[C@H]1CCCC1=NNc1ncccc1C 799886218 LZJJVHLABWWLPU-GFCCVEGCSA-N 247.342 2.995 30 20 BFED Cc1cc(C(=O)/C=C/c2cn(C)nc2C)oc1C 799898444 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814243331 QRLKGACYDOJHEO-UHFFFAOYSA-N 226.279 2.995 30 20 BFED C#C[C@H](C)N(C)Cc1cc2c(C)cccc2[nH]1 825710632 WAWPAMOUJHESBL-LBPRGKRZSA-N 226.323 2.930 30 20 BFED C=CCCSCCNC1CC(C(F)F)C1 826915357 INKLRTFGGUVAJR-UHFFFAOYSA-N 235.343 2.929 30 20 BFED C=CCN(Cc1ccccc1)C(=O)NOCCC 828241364 QMAUJKSAFVHKPT-UHFFFAOYSA-N 248.326 2.726 30 20 BFED C=C[C@@H]1CCCCN1C(=O)CSC(F)F 830698203 XCNVNVWEIZOMDL-MRVPVSSYSA-N 235.299 2.509 30 20 BFED C#CCO[C@@H](C)c1nc(-c2cscc2C)no1 834718566 WSGPDAKSIQBXQR-VIFPVBQESA-N 248.307 2.817 30 20 BFED C[C@@H]1CC[C@@H](C)C(=NN[C@H]2CCSC2)C1 834980901 VXYKRHGDRUXDBJ-MXWKQRLJSA-N 226.389 2.894 30 20 BFED CCn1ccnc1C(C)=NNCC1(C)CCCC1 834981468 QBDZBTCCFFDMQA-UHFFFAOYSA-N 248.374 2.797 30 20 BFED C[C@@H]1C(=NNc2ccncn2)CCC[C@H]1C 835002276 TXUDFHWOVJEXIO-ZJUUUORDSA-N 218.304 2.701 30 20 BFED C[C@H]1CC[C@@H](C)CC1=NN[C@@H]1CCOC1(C)C 835020368 HEACQFLDXBYYBQ-NTZNESFSSA-N 238.375 2.956 30 20 BFED CC(C)(C)C#CC(=O)N1CCc2ccc(F)cc21 837377002 HAEXBSYORRTCJD-UHFFFAOYSA-N 245.297 2.764 30 20 BFED C=CCOCCCOC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 838123588 ONZVEBHXFAOILT-FRRDWIJNSA-N 238.327 2.559 30 20 BFED CCC(=NN=C(C)c1cnccn1)[C@H]1C[C@H]1C 841628292 SGHFRCBRZNMUHQ-KOLCDFICSA-N 230.315 2.708 30 20 BFED CO[C@H](C=NOCc1cccnc1)CC(C)C 841634233 WGBHYRNAPJCUIS-ZDUSSCGKSA-N 236.315 2.645 30 20 BFED C/C=C(/C)COC(=O)c1sccc1C#N 842846083 IDAFQTQKLBHHFH-BAQGIRSFSA-N 221.281 2.743 30 20 BFED C#C[C@@H](NC(=O)CCC1CC1)c1ccccc1 843639728 UDZVEJBISQWTCD-CQSZACIVSA-N 227.307 2.667 30 20 BFED C=C(C)CONC(=O)[C@H](C)Cc1ccc(C)cc1 846536036 QDWSZHDIWYNZAM-CYBMUJFWSA-N 247.338 2.798 30 20 BFED C#CCOCCN1CCC[C@@]1(C)CC(C)C 852114496 SFYDYPRVBSGDPO-AWEZNQCLSA-N 223.360 2.537 30 20 BFED C#Cc1cccnc1N1CCCCCCC1 853085118 GJOYYJRYDDAAKX-UHFFFAOYSA-N 214.312 2.833 30 20 BFED Cc1ccc(NN=Cc2nccn2C(C)C)nc1 853300820 FBDMPEOCOKMOPR-UHFFFAOYSA-N 243.314 2.613 30 20 BFED C[C@H]1CCCCN1N=C1CCC[C@H](N(C)C)C1 853381087 ZWKMLPYANBUEPR-JSGCOSHPSA-N 237.391 2.721 30 20 BFED CC(=NN1CCCC[C@H]1C)c1cnoc1C 853382058 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2.683 30 20 BFED COc1ccc(C=NOCC(F)(F)F)c(C)c1 901205603 BGWGTVYKFOCMDO-UHFFFAOYSA-N 247.216 2.916 30 20 BFED CCc1nc(C)c([C@H](C)NCC2(C#N)CC2)s1 903106950 ZDBKVWSDNNTVGX-VIFPVBQESA-N 249.383 2.968 30 20 BFED C=CC[S@](=O)Cc1ccc(C)c(F)c1 905207287 KRGGJXCYZXOVMI-AWEZNQCLSA-N 212.289 2.569 30 20 BFED CC(=NOCC1CC1)c1ccc(C(=O)O)cc1C 905473677 MLAIVYHZVVFWHN-UHFFFAOYSA-N 247.294 2.844 30 20 BFED CC[C@](C)(C#N)C(=O)OCc1cc(C)cc(C)n1 909301326 IVVQHRZSXLZYTL-CQSZACIVSA-N 246.310 2.682 30 20 BFED CCCCNN=C(C)c1cccc(F)c1 915968983 DKHWANRSOBEAST-UHFFFAOYSA-N 208.280 2.939 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@H](CC)CSC 935243839 WHQKYTLRBWAQTB-WDEREUQCSA-N 229.389 2.847 30 20 BFED CCc1ccc(NCC2(C#N)CCC2)nc1 1162412081 KPAAXBVIYXJQLC-UHFFFAOYSA-N 215.300 2.750 30 20 BFED C=CCN(C(=O)N[C@@H]1C=CCCC1)C(C)C 1319086600 NDKUNIBBJVXEDQ-GFCCVEGCSA-N 222.332 2.701 30 20 BFED CO[C@@H](CNc1cccc(CC#N)n1)C(C)(C)C 1320359820 RYLXTFOJYPKDAR-LBPRGKRZSA-N 247.342 2.621 30 20 BFED C=C[C@@H](COC)N[C@H](C)Cc1ccccc1C 1321240729 GHXNMECZAUVXFQ-HIFRSBDPSA-N 233.355 2.717 30 20 BFED CC#CCN(C)[C@@H]1CCc2c(F)cccc21 1324507523 PUXKBTYMYCYUFL-CQSZACIVSA-N 217.287 2.768 30 20 BFED CC#CCCOC(=O)CC(C1CC1)C1CC1 1325539748 OTBNAFDZNHIJCW-UHFFFAOYSA-N 220.312 2.769 30 20 BFED Cc1c(C#N)cccc1C(=O)NCC1CC(C)C1 1328593828 CFTLFUCWKKGMMM-UHFFFAOYSA-N 242.322 2.643 30 20 BFED CC[C@](C)(C#N)c1nnc(-c2ccc(C)o2)o1 1330110204 ITQXKEAXJXVLSU-GFCCVEGCSA-N 231.255 2.829 30 20 BFED C=C[C@@H](COC)N[C@H](C)Cc1cccc(C)c1 1331971762 KHLYXFHWJQEBQI-HIFRSBDPSA-N 233.355 2.717 30 20 BFED Cc1nnn(N=C[C@H]2C[C@@H]2c2ccccc2)c1C 1331982406 BRZFHXQONPNWOI-ZIAGYGMSSA-N 240.310 2.533 30 20 BFED N#CCc1cccc(N2CCC[C@H]2C2CCC2)n1 1337027547 SWZJTVZJIBZGCZ-AWEZNQCLSA-N 241.338 2.917 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 1340890564 BFBBQVQRJBVYGE-ZDEQEGDKSA-N 234.343 2.573 30 20 BFED C#C[C@H](C)OC(=O)C1(C2CCCCC2)CC1 1344738498 DHDBSYFNJZOQFQ-NSHDSACASA-N 220.312 2.912 30 20 BFED C#CCCCC(=O)N1CCC[C@@H]1CCC 1353849824 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CC(C)C[C@@H]1CCN(C(=O)C2(C#N)CCC2)C1 73189021 JLRRRIKNGONMQK-LBPRGKRZSA-N 234.343 2.575 30 20 BFED C=CCN1CC[C@H](COCc2ccccc2)C1 75864216 ZFTFDICRPNXXPX-HNNXBMFYSA-N 231.339 2.711 30 20 BFED CN(Cc1cccc(C#N)c1)C(=O)CC1CCC1 79486355 QVGVYGFGLGDNRZ-UHFFFAOYSA-N 242.322 2.707 30 20 BFED CC(C)CCCNc1cccc(C#N)n1 80117545 GWPHYUVDOSDQIV-UHFFFAOYSA-N 203.289 2.801 30 20 BFED C[C@@H](C#N)CNc1cc(Cl)ccc1C#N 83053780 BUXHVZMPFYJNKD-QMMMGPOBSA-N 219.675 2.783 30 20 BFED C=CCN[C@H]1C[C@H](OCC)C12CCCCC2 83532224 VSMHDBMMIQYNOH-STQMWFEESA-N 223.360 2.890 30 20 BFED C=C(CC)CNCc1cccc([N+](=O)[O-])c1 85058388 HOMLGUWXDIEPGQ-UHFFFAOYSA-N 220.272 2.651 30 20 BFED CC1(C)CCN(CCOc2ccc(C#N)cc2)C1 91439749 PTLRQCWIVHJMMB-UHFFFAOYSA-N 244.338 2.669 30 20 BFED C=CCCC(=O)O[C@H](C)C(=O)Nc1ccccc1 102506460 YBHDFJUNWYXALR-LLVKDONJSA-N 247.294 2.523 30 20 BFED CC[C@@H](NCc1ccccc1C#N)[C@@H]1CCCO1 119710234 POINHSIREKLSFL-CABCVRRESA-N 244.338 2.605 30 20 BFED CCC(=CC(=O)Nc1ccc(C#N)cn1)CC 119878473 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244.338 2.917 30 20 BFED Cc1ccc(C#N)cc1NCCCCCCO 179262208 ZBNQYMIOYSXJJY-UHFFFAOYSA-N 232.327 2.831 30 20 BFED C=CC[C@H](C)NC(=O)Cc1c(C)cccc1C 180423743 NSLCXAIYRCISMY-ZDUSSCGKSA-N 231.339 2.927 30 20 BFED Cc1cccc(OC[C@H](C#N)CCC#N)c1F 182290628 VGIPWYYTCBOJNF-NSHDSACASA-N 232.258 2.956 30 20 BFED CC#CCNc1cc(Cl)ccc1NC(C)=O 182304690 SSTZIPXBEGPHDC-UHFFFAOYSA-N 236.702 2.734 30 20 BFED C#CCC(C)(C)C(=O)N1CCc2sccc2C1 185070013 GFBPKHGRQOPEEW-UHFFFAOYSA-N 247.363 2.682 30 20 BFED CCC(C)(C)N(CCC#N)C(=O)Cc1ccoc1 189908817 NPJUBOOJKNDTTI-UHFFFAOYSA-N 248.326 2.753 30 20 BFED C=CCN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 192019352 DSDVVWCSGYBFLC-STQMWFEESA-N 237.730 2.946 30 20 BFED C#CCCCC(=O)N1CCCC[C@H](SC)C1 192157359 DIFADQFMEXGTRC-LBPRGKRZSA-N 239.384 2.534 30 20 BFED N#C[C@H](NC(=O)C1[C@@H]2CCC[C@@H]12)C1CCCCC1 227231068 HHCNFLZELKUIJH-UPJWGTAASA-N 246.354 2.621 30 20 BFED CCCCCCCCCN(C)C(=O)C(C)(C)N 236633076 JQOVJXBOIORDLH-UHFFFAOYSA-N 242.407 2.933 30 20 BFED N#Cc1ccc(OC/C=C\Cl)c(F)c1 255775257 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247.729 2.715 30 20 BFED CC(C)C(=NNc1ccc(Cl)nn1)C1CC1 750917766 MLAVJEWOJLUDBN-UHFFFAOYSA-N 238.722 2.964 30 20 BFED CCCCNN=Cc1ccc(F)cc1C 750935185 XXPLFFKDZUHMNJ-UHFFFAOYSA-N 208.280 2.858 30 20 BFED Cc1ccnc(NN=C2CCSCC2)c1 755906793 QXYCZGAGQNKKCK-UHFFFAOYSA-N 221.329 2.685 30 20 BFED CC#CCN(C)c1ccc(OC)c(Cl)c1 757857280 QQOISCXDLBMRTA-UHFFFAOYSA-N 223.703 2.808 30 20 BFED Cc1cc(C=NOCC(F)F)cc(C)c1O 758904847 ZLRROYDDGFPDLR-UHFFFAOYSA-N 229.226 2.625 30 20 BFED C=CCCCC(=O)N[C@@H](C)c1ccc[nH]1 760736657 YPDYZMYMCCOPBX-JTQLQIEISA-N 206.289 2.548 30 20 BFED C#CCCc1noc(-c2cccc(C)c2F)n1 762010972 UARWWVRRFOHUAL-UHFFFAOYSA-N 230.242 2.750 30 20 BFED CCO[C@@H](CC)C(=O)Oc1ccc(C#N)c(C)c1 765113133 LYZZAWGHVZQRCW-ZDUSSCGKSA-N 247.294 2.587 30 20 BFED CC(Cc1ccncc1)=NOCC(F)(F)F 767791542 UGXKYBTXEPFTHP-UHFFFAOYSA-N 232.205 2.579 30 20 BFED CC[C@@H](C)NC(=S)Nc1cccc(C#N)c1C 769794443 FAPRDDFSNWSLFV-SECBINFHSA-N 247.367 2.952 30 20 BFED C#CCCCCCc1nc([C@H]2CCCOC2)no1 771602845 BUIAZYFQKLQHAA-LBPRGKRZSA-N 248.326 2.700 30 20 BFED C=C(CC)COC(=O)c1ccc2c(c1)OCO2 773430238 JQFYFWNPWFXPCG-UHFFFAOYSA-N 234.251 2.538 30 20 BFED C=C(CC)COC(=O)[C@H](C)OCC(C)C 773498464 VRLWURSUECLFJX-NSHDSACASA-N 214.305 2.557 30 20 BFED C=C(CC)COC(=O)c1ccnc(OC(C)C)c1 773531144 QHIVKRHAESBXBF-UHFFFAOYSA-N 249.310 2.992 30 20 BFED N#Cc1cccc(COC(=O)c2ccoc2)c1F 774909330 PAJRANGBWAZEJB-UHFFFAOYSA-N 245.209 2.647 30 20 BFED C#C[C@H](N[C@@H]1CCC[C@H](C)[C@@H]1C)[C@H]1CCCO1 775573050 FTXGDECDLLMKNT-BTFPBAQTSA-N 235.371 2.582 30 20 BFED N#Cc1ccc(COC(=O)C2[C@H]3CCC[C@H]23)cc1 776698808 FOUWAHULIIMGNH-STQMWFEESA-N 241.290 2.648 30 20 BFED CC[C@@H]1CCCC(=NN[C@H](C)COC)C1 777893241 OKDCBDMLNAUTEQ-GHMZBOCLSA-N 212.337 2.567 30 20 BFED CC(CCc1ccco1)=NNCCOC(C)C 778546697 MJPGFHDINGKGLN-UHFFFAOYSA-N 238.331 2.603 30 20 BFED C#CCOc1ccc(CN[C@H]2CC[C@H](C)C2)cc1 780575128 AAKGECALNDENGR-ZFWWWQNUSA-N 243.350 2.977 30 20 BFED C#C[C@H](NCc1ccccc1CC)[C@H]1CCCO1 782543805 PWORDMIEKIYBHV-JKSUJKDBSA-N 243.350 2.519 30 20 BFED C[C@@H]1CCCC[C@@H]1C=NNc1ncccn1 783823469 FHTDIVHBGYCKNS-GHMZBOCLSA-N 218.304 2.701 30 20 BFED C[C@H]1CCCC[C@@H]1C=NNc1cnccn1 783824365 RGIURQKDXMSITB-WDEREUQCSA-N 218.304 2.701 30 20 BFED C=CCN(CC=C)C(=O)C1=C(CC)OCCC1 790102765 BIZIZVSKACTHFJ-UHFFFAOYSA-N 235.327 2.662 30 20 BFED N#CCCC[S@](=O)Cc1ccc(Cl)s1 790133536 CETPMDFRIQXZKJ-AWEZNQCLSA-N 247.772 2.954 30 20 BFED C#C[C@@H](CCC)NC(=O)NCCCCCC 791009670 LHHCQHVUDHFGMB-LBPRGKRZSA-N 224.348 2.668 30 20 BFED CC[C@H](C)CON=C1C(=O)Nc2ccc(C)cc21 793163915 NTFAXWUAUMGXCG-VIFPVBQESA-N 246.310 2.714 30 20 BFED CC(=NNc1ncncc1F)c1cccs1 793214493 MBFVVVOLDKLPIG-UHFFFAOYSA-N 236.275 2.513 30 20 BFED C=CCCC(CC)=NNc1cncnc1 794976251 HNPVKLODLSPMHY-UHFFFAOYSA-N 204.277 2.621 30 20 BFED CC[C@@H]1CC[C@@H](C)CC1=NNC1CCOCC1 797401363 ILRVSWXKYRAOIQ-VXGBXAGGSA-N 238.375 2.957 30 20 BFED COc1cc(C=NOCC(C)C)ccc1C#N 799483971 ZHGDLELSYDVRFN-UHFFFAOYSA-N 232.283 2.573 30 20 BFED Cc1nc(C#N)c(NN=C[C@@H]2CC[C@H](C)C2)o1 800811124 IJYAJZWXTCKYQM-WCBMZHEXSA-N 232.287 2.689 30 20 BFED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1ccncc1 803785787 TXHBHWBUBILORP-GWCFXTLKSA-N 232.283 2.626 30 20 BFED CCCCCCCCCOC(=O)c1cnn[nH]1 805603845 WGZDDTBTXNUATG-UHFFFAOYSA-N 239.319 2.712 30 20 BFED Fc1cccc(NN=CCCC2CC2)n1 807987952 POAOHTSFPMCLRX-UHFFFAOYSA-N 207.252 2.809 30 20 BFED C#CCON=C(CC)c1ccc(C)cc1 812233615 XDZWVMDAWNUNDR-UHFFFAOYSA-N 201.269 2.759 30 20 BFED C=CCC(C)(C)CNC(=O)NOC1CCCC1 814380309 XYZQEMRQUQOLKP-UHFFFAOYSA-N 240.347 2.762 30 20 BFED CCC(=NNc1cc(C)nc(C)n1)c1ccco1 814807356 QQBQPKLUTOLKAB-UHFFFAOYSA-N 244.298 2.913 30 20 BFED C=CCCCNC[C@@H](O)c1ccc(C)cc1 819274371 ZBSWFSDPESGSNM-CQSZACIVSA-N 219.328 2.584 30 20 BFED COc1cc(C(=O)/C=C\c2ccc(C)cc2)on1 821022122 OQYNWUCVDXEIJP-FPLPWBNLSA-N 243.262 2.888 30 20 BFED C=C(C)C(C)(C)C(=O)OCCCC(=O)CC 821447181 CGVWZSHRNSVCQA-UHFFFAOYSA-N 226.316 2.891 30 20 BFED C#CCCOc1ccc(CN2CC[C@@H](F)C2)cc1 824570404 CVRWBIMQAUBIHO-CQSZACIVSA-N 247.313 2.633 30 20 BFED C=CCCC(=O)OC1CCC(CC(=O)O)CC1 833373490 QORSZQJQXUUXPA-UHFFFAOYSA-N 240.299 2.529 30 20 BFED C#CCCc1noc([C@]2(C)CCC[C@@H]2C)n1 834585385 OICYJZXAVVWLEV-GXFFZTMASA-N 218.300 2.713 30 20 BFED CCc1ccc(C=NN[C@H](C)C(F)(F)F)o1 835000521 KFBIZAOWJMVULX-SSDOTTSWSA-N 234.221 2.716 30 20 BFED C#CCC1(OC(=O)CC2CC(F)(F)C2)CCC1 835367128 SGPKUYSJVHFVLQ-UHFFFAOYSA-N 242.265 2.911 30 20 BFED CS[C@@H](C)COC(=O)c1ccc(C)c(C#N)c1 835689596 SNGMTELUIBZHDI-JTQLQIEISA-N 249.335 2.775 30 20 BFED C[C@H]1C[C@H](C(=O)O[C@H](C)C#N)CC[C@H]1C 837828581 TVEKETSAECATBM-LMLFDSFASA-N 209.289 2.514 30 20 BFED CC(C)(C)C#CC(=O)OCCC(C)(C)C#N 838371996 KFBXHQZYTQJQNI-UHFFFAOYSA-N 221.300 2.519 30 20 BFED C=CCONC(=O)NC(C)(C)c1cccc(C)c1 838708473 WHLCYCQVHMETKR-UHFFFAOYSA-N 248.326 2.647 30 20 BFED C[C@@H](C#N)N(C)C(=O)/C(F)=C\C1CCCCC1 839368569 YEMYYVDTOYFPJS-MJWAUXSNSA-N 238.306 2.791 30 20 BFED N#CCCSCc1ccc(Cl)nc1 840213669 PSDBBGHEVKRSFA-UHFFFAOYSA-N 212.705 2.882 30 20 BFED CSCC[C@H](C)Nc1ncc(C#N)cc1F 840267191 JXDQQGXZFNHATG-QMMMGPOBSA-N 239.319 2.646 30 20 BFED CC[C@@H]1C[C@@H](C)CCC1=NN(C)C[C@H](C)O 841650172 HTLTVKCUSMINTH-SDDRHHMPSA-N 226.364 2.501 30 20 BFED C=CCCCCONC(=N)[C@@H](C)OCC(C)C 842033448 QHTPSTUKBSRTEV-GFCCVEGCSA-N 242.363 2.902 30 20 BFED CC(C)[C@H](C#N)OC(=O)C1CC2(CCC2)C1 842706851 KOUWIXUVJHCKFR-NSHDSACASA-N 221.300 2.658 30 20 BFED C#C[C@H](NC(=O)CSC(C)C)c1ccccc1 843638878 NUDBMRLVEOSXAY-ZDUSSCGKSA-N 247.363 2.619 30 20 BFED N#CCOC(=O)CC1C2CC3CC(C2)CC1C3 845356798 MLTPEGMYEURDGO-UHFFFAOYSA-N 233.311 2.516 30 20 BFED C#C[C@H](OC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1CC1 845498690 IUVXPTADHBKHEY-WVWOOGAGSA-N 230.307 2.544 30 20 BFED CC[C@@H](CC#N)OC(=O)[C@@H]1C[C@H]1C1CCC1 845529204 SSRCCRIJGQHMRA-SDDRHHMPSA-N 221.300 2.658 30 20 BFED C=C(C)CONC(=O)N[C@@H]1[C@@H](C)CCC[C@H]1C 845601934 DQXRYMFFKCTHNE-GDNZZTSVSA-N 240.347 2.618 30 20 BFED C#CCOCCN(C)[C@@H](c1ccccc1)C(C)C 851770551 QCAUPBYGKZKCHC-MRXNPFEDSA-N 245.366 2.965 30 20 BFED CC(=NN1CCCC[C@@H]1C)C(F)(F)F 853380892 XSFXKIIREQTBIJ-ZETCQYMHSA-N 208.227 2.799 30 20 BFED C=CCC[C@H](C)OC(=O)C(C)(C)OCC 869769176 WYVWFXMGIHHDMO-JTQLQIEISA-N 214.305 2.699 30 20 BFED C(=NOC1CCC1)c1cc2c([nH]1)CCCC2 872376107 DSKUNGNQEJZWHW-UHFFFAOYSA-N 218.300 2.797 30 20 BFED COc1cccc2cc(C(C)=NN3CCC3)oc12 872395736 AVFFTTUPCNTRLF-UHFFFAOYSA-N 244.294 2.871 30 20 BFED Cc1ccc2[nH]cc(C=NN3CCC3)c2c1 872396981 QPIPZRVYKXLSLM-UHFFFAOYSA-N 213.284 2.516 30 20 BFED Cc1cc(NN=C2CCC[C@@H](C)[C@@H]2C)nc(N)n1 872420665 KTOXOMUEWOYBKK-SCZZXKLOSA-N 247.346 2.591 30 20 BFED C#CCCCCCCN(CCO)C1CCCC1 876523196 NVGORUCGLBXRJS-UHFFFAOYSA-N 237.387 2.807 30 20 BFED C#CCCCCCCNCc1cccc(F)n1 877115632 RXGLYHSISSMRGG-UHFFFAOYSA-N 234.318 2.894 30 20 BFED C=CC(C)(C)CC(=O)N[C@H](CC)[C@@H]1CCCO1 879296492 BWYGVIXSVCPMDW-NEPJUHHUSA-N 239.359 2.663 30 20 BFED C#CC(C)(C)NC(=O)Nc1c(C)cc(C)nc1C 879604561 BHWZWJCZYRTDQQ-UHFFFAOYSA-N 245.326 2.540 30 20 BFED Cc1[nH]nc(NCc2cc(C#N)cs2)c1C 886195970 CNNKODFUIWBJSH-UHFFFAOYSA-N 232.312 2.572 30 20 BFED C#Cc1ccc(NCC[C@H]2CCOC2)cc1 898498470 JTLXYYCIGMXPNO-ZDUSSCGKSA-N 215.296 2.506 30 20 BFED C=C1CN(C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)C1 898692376 QTHHYGZUBBWYBJ-VXGBXAGGSA-N 219.328 2.623 30 20 BFED C#Cc1ccc(C(=O)N[C@]2(C)CC=CCC2)cc1 909931228 KKVYGWDCMMBZLB-MRXNPFEDSA-N 239.318 2.897 30 20 BFED CC(=NNc1ccc(C)cc1)c1cnn(C)c1 920825235 GFLLKWVBOSULGR-UHFFFAOYSA-N 228.299 2.565 30 20 BFED C#CCN(CC)C(=O)[C@@H](C)c1ccccc1C 930580110 OYXCPSFRESUJKX-ZDUSSCGKSA-N 229.323 2.580 30 20 BFED CC[C@@H](NCCC#N)c1cc(F)ccc1OC 932476701 JONTVIGJHDKUJQ-GFCCVEGCSA-N 236.290 2.789 30 20 BFED C=C[C@@H](CC)CC(=O)N1CCS[C@@H](CC)C1 933801348 ITYIVDWLAMCTHP-RYUDHWBXSA-N 241.400 2.943 30 20 BFED C=C[C@@H](C)NC(=O)Nc1cc(C)nc(Cl)c1 934213456 DUFPGOARVYCGKG-SSDOTTSWSA-N 239.706 2.739 30 20 BFED N#CCCCNC1(C2CCCCC2)CC1 934790325 ZERRJRRIEWNESC-UHFFFAOYSA-N 206.333 2.993 30 20 BFED CCC1(CNC(=O)c2csc(C#N)c2)CCC1 1117756892 QVBPHLIEAKSBEB-UHFFFAOYSA-N 248.351 2.930 30 20 BFED C=C[C@@H](COC)NC(=O)Nc1ccc(C)c(C)c1 1255272473 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NLMHLGARITXYGL-BDAKNGLRSA-N 246.241 2.752 30 20 BFED C=CCC[C@H](CCC)N[C@]12CCC[C@H]1NCC2 1574901465 IKYRJLXICUQIET-ZNMIVQPWSA-N 236.403 2.996 30 20 BFED C=CC[C@@H](N[C@@H](C)c1cc(C)oc1C)C(=O)O 1588744972 FJUWMAAKQRHQBI-JOYOIKCWSA-N 237.299 2.576 30 20 BFED CC#CCCS[C@@H](CCCC)C(=O)O 1588931552 ZZQCSIYKECGPAN-JTQLQIEISA-N 214.330 2.776 30 20 BFED C=C(C)CCCN1CCC[C@H](CC(=O)O)C1 1776139277 YXDYCLSERZLWNE-GFCCVEGCSA-N 225.332 2.529 30 20 BFED C=C[C@H]1CCCN(Cc2cc(C)c(C(=O)O)o2)C1 1776150480 PTBWWXARJHZMJZ-NSHDSACASA-N 249.310 2.684 30 20 BFED C=CCNC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 9938642 UUQLNTAWHCAMOT-AWEZNQCLSA-N 244.338 2.931 30 20 BFED C#Cc1cccc(N[C@@H]2CCSC2)c1 19876822 QTUZYOCPALXKCL-GFCCVEGCSA-N 203.310 2.585 30 20 BFED CCC[C@H](C)NCc1ccc(C#N)cc1F 20040596 HKRJTQVRHIZPAN-JTQLQIEISA-N 220.291 2.976 30 20 BFED C#CCN(C)Cc1ccccc1C(F)(F)F 43643667 XAINNTQLAPUWLH-UHFFFAOYSA-N 227.229 2.770 30 20 BFED CCC(C#N)(CC)C(=O)N(C)c1ccccc1 44764568 ASZFVAWVZHXWLL-UHFFFAOYSA-N 230.311 2.979 30 20 BFED CN(c1ncccc1C#N)C1Cc2ccccc2C1 48962609 SXLOCRSBWPTSPT-UHFFFAOYSA-N 249.317 2.557 30 20 BFED C#Cc1cccc(NC[C@@H]2CCC=CO2)c1 50267098 ODUFHXWRDNVDML-AWEZNQCLSA-N 213.280 2.773 30 20 BFED CC[C@@H](C)NC(=O)Nc1cc(C#N)ccc1C 58453733 HEVTUHZLEFQNHK-SNVBAGLBSA-N 231.299 2.787 30 20 BFED CC(C)C[C@H](C)CC(=O)N(C)C1(C#N)CCC1 67911571 OFLPHUATDNYRBF-LBPRGKRZSA-N 236.359 2.963 30 20 BFED C[C@H]1CCC[C@H]1NCc1ccccc1C#N 70830724 BOTNOMUIDIRQMN-SMDDNHRTSA-N 214.312 2.836 30 20 BFED N#CCCCCNC(=O)c1cc2ccccc2o1 70940604 DRKHMUFNFZWOPS-UHFFFAOYSA-N 242.278 2.856 30 20 BFED C[C@H]1CCC[C@@H](C)N1CCCSCC#N 74990556 GEJUBCJGAAGMAW-TXEJJXNPSA-N 226.389 2.896 30 20 BFED N#Cc1csc(CNCC2CCC2)c1 86500234 BHMCUNBJMFSQPQ-UHFFFAOYSA-N 206.314 2.509 30 20 BFED CCN(C[C@H](C)C#N)C(=O)c1cscc1C 94204973 OEOZZKWZCPZKIY-SECBINFHSA-N 236.340 2.678 30 20 BFED C=C[C@@H](N)c1cccc(Br)c1F 95643434 VSURUVXCRNFAHL-MRVPVSSYSA-N 230.080 2.774 30 20 BFED CSc1ccc(C(=O)N[C@@H](C#N)C(C)C)cc1 96477376 DMMWJHKZHHIVIC-LBPRGKRZSA-N 248.351 2.686 30 20 BFED CCCC(C#N)(CCC)NC(=O)[C@@H]1C[C@@H]1C 106422359 PPFZYLMHHGFYPF-WDEREUQCSA-N 222.332 2.621 30 20 BFED N#CCCCC[S@@](=O)c1cc(F)ccc1F 108034516 QZAGSLDLTTVQLO-INIZCTEOSA-N 243.278 2.766 30 20 BFED C=CCN(CC=C)C(=O)CC[C@H]1CCCCO1 110195156 LFJSISCLHXZEDD-CYBMUJFWSA-N 237.343 2.536 30 20 BFED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1C1CCC1 116972477 KWVWYCAHKVJFDT-DGCLKSJQSA-N 236.359 2.925 30 20 BFED C=CCCCSc1nnc(CSC)o1 117550062 NXCCVLKFRUMULV-UHFFFAOYSA-N 230.358 2.991 30 20 BFED CC#CCNC(=O)C(C)(C)c1cccc(Cl)c1 121638142 QQVIHBBEUYDFMH-UHFFFAOYSA-N 249.741 2.757 30 20 BFED C=C[C@@H](CC(=O)NC(C)(C)C#N)c1ccccc1 132364915 KMQPCQFLVYOXGH-LBPRGKRZSA-N 242.322 2.765 30 20 BFED C[C@H](N[C@H](C)[C@@H]1CCOC1)c1cccc(C#N)c1 132380861 WTOCWOCDWNBWBV-YWPYICTPSA-N 244.338 2.634 30 20 BFED C=C[C@](C)(CC)C(=O)NC(C1CC1)C1CC1 134894747 UPLVNYRVMCVANA-CQSZACIVSA-N 221.344 2.894 30 20 BFED C[C@@H]1CCCC[C@H]1CNCC(C)(C)C#N 134976884 PYVSTKMFEMTYJQ-NEPJUHHUSA-N 208.349 2.952 30 20 BFED 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2.987 30 20 BFED C=CC[C@H]1N(Cc2nnc(C)o2)CCCC1(C)C 277717396 IYDLKLNNOKKQLW-GFCCVEGCSA-N 249.358 2.945 30 20 BFED CC[C@@H](NCCCN(C)C)c1ccc(C#N)cc1 278244646 LSFVHEWVLLGJTL-OAHLLOKOSA-N 245.370 2.551 30 20 BFED CCCc1nnc(S[C@H]2CC[C@@H](C#N)C2)o1 278586241 PKKQMWPWYJBICZ-BDAKNGLRSA-N 237.328 2.806 30 20 BFED CN(Cc1ccccc1O)[C@H]1CC[C@@H](C#N)C1 278709414 UHRDVIMHEVZPNX-YPMHNXCESA-N 230.311 2.516 30 20 BFED CCc1ncsc1NC(=O)CC(C)(C)C#N 278749658 MLQLDTVGGFXLLA-UHFFFAOYSA-N 237.328 2.584 30 20 BFED C=CCn1c(C)nnc1N1CC[C@H](C)C(C)(C)C1 282364838 UBFLGQKCPJHFMF-NSHDSACASA-N 248.374 2.645 30 20 BFED CC(C)COCCN(C)Cc1ccc(C#N)cc1 282660289 LURMEPHLGNJAHT-UHFFFAOYSA-N 246.354 2.663 30 20 BFED C=C(C)CCc1noc([C@](C)(C#N)CC)n1 289271699 RVWXZJQUJKHCMS-LBPRGKRZSA-N 219.288 2.770 30 20 BFED C=CCN(CC=C)c1nnc([C@H](C)CC)n1C 290534015 UQJNKXTYJFSDSD-LLVKDONJSA-N 234.347 2.507 30 20 BFED CCC[C@@H](CNCc1ccc(C#N)s1)OC 293678840 NBNPHLREUWQGDG-JTQLQIEISA-N 238.356 2.524 30 20 BFED CC#CC(=O)N1Cc2cc(C)ccc2CC1(C)C 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C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(Cl)cc1 336234149 DDMJLSKXXGYRMB-PELKAZGASA-N 234.686 2.828 30 20 BFED C=CCCCCCN(C)Cc1nccc(C)n1 339657063 CMKNQDMWZPRWEW-UHFFFAOYSA-N 233.359 2.963 30 20 BFED CC[C@H](C)CN1CCc2ccc(C#N)cc21 339825230 ONBAKBJRRCPZDU-NSHDSACASA-N 214.312 2.967 30 20 BFED N#CCCCNC(=O)C/C=C\c1ccccc1F 342626794 DVHCKGUYSYYESC-ALCCZGGFSA-N 246.285 2.649 30 20 BFED CCSCCn1nc(C#N)c2ccccc21 344732613 LTRBEPOKHFLIBK-UHFFFAOYSA-N 231.324 2.661 30 20 BFED C=C(C)CN(CC)[C@@H]1CCOC(C)(C)C1 351934111 GJVLAVWHJCSKAI-GFCCVEGCSA-N 211.349 2.842 30 20 BFED C=CCN(C(=O)c1cc([C@@H](C)CC)no1)C1CC1 357515074 VIBIRHKKWXXHGL-JTQLQIEISA-N 248.326 2.979 30 20 BFED CC#CCCCC(=O)NCC1C(C)(C)C1(C)C 358319450 CTSBEOMXMFFFCH-UHFFFAOYSA-N 235.371 2.978 30 20 BFED C=C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 358517894 QBPPDLRGRJKFAS-TVYUQYBPSA-N 233.286 2.620 30 20 BFED C=CCCC(=O)N1CC(C)(C)[C@H]1c1cccnc1 359295561 VWBVGUKMDMKUOE-CQSZACIVSA-N 244.338 2.957 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@@H](F)C1 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30 20 BFED C=CC[C@@H](Cc1ccccc1)NC(=O)NC(C)C 413036240 PNVASMQEVMWLSA-AWEZNQCLSA-N 246.354 2.881 30 20 BFED C=CC[C@H](CC)Nc1ncc(C#N)cc1F 413271304 QCTLXTHHKMRIGI-JTQLQIEISA-N 219.263 2.859 30 20 BFED C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)[C@H](C)[C@H]1C 419330210 BNNLLERXXYGTDH-RXGFPQBGSA-N 206.333 2.655 30 20 BFED CCC(C)(C)C(=O)NCc1ccc(C#N)s1 421598629 AYUXKFNYEFQANN-UHFFFAOYSA-N 236.340 2.672 30 20 BFED C[C@H](C[C@@H]1CCCCCN1)NCC1(CC#N)CC1 423094358 KABMAMYNLDBLDE-KGLIPLIRSA-N 249.402 2.581 30 20 BFED C=CC[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C 424677008 PWHWGCISBHNOHG-SRVKXCTJSA-N 209.333 2.894 30 20 BFED CC(C)CN(C)c1ncc2c(c1C#N)CCC2 425215626 OFDDUVANRIRLBZ-UHFFFAOYSA-N 229.327 2.534 30 20 BFED COCC(C)(C)CN(C)Cc1ccc(C#N)cc1 426038369 XOVCPHUBPORIOU-UHFFFAOYSA-N 246.354 2.663 30 20 BFED C=CCOCCCSC[C@H]1CCC[C@@H](O)C1 427684335 FFBRDQADJKQBMI-QWHCGFSZSA-N 244.400 2.863 30 20 BFED CCN(Cc1ccc(C#N)c(OC)c1)C1CCC1 442890112 NAVHQAXMWUUUFV-UHFFFAOYSA-N 244.338 2.941 30 20 BFED C=C(C)CCNC(=O)c1cccc(C)c1[N+](=O)[O-] 448550412 AHVODGIPQCUZJY-UHFFFAOYSA-N 248.282 2.599 30 20 BFED CC[C@H](NCc1cc(C#N)cs1)C(F)F 449356778 AUDZEERRHYPNHY-VIFPVBQESA-N 230.283 2.753 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@@H](C)CCc1ccccc1 449522919 WARSCLIQAFMDOS-IMJJTQAJSA-N 245.366 2.941 30 20 BFED CCC[C@@H]1CCC[C@@H]1C(=O)NCC(C)(C)C#N 450524104 LQZFYOFJMJCGNS-NEPJUHHUSA-N 236.359 2.869 30 20 BFED C=CCCN1CCC=C(c2cccnc2)C1 451021010 ATSZTCYPDULIID-UHFFFAOYSA-N 214.312 2.747 30 20 BFED CC(C)(CC#N)CNC(=O)[C@H]1CCC(C)(C)C1 457996840 UBKXDXJKFBRDCS-NSHDSACASA-N 236.359 2.869 30 20 BFED C=CC[C@@H](CC)NC(=O)NCC(C)(C)CC#N 458742577 UQTMWMQGLZTOOQ-LLVKDONJSA-N 237.347 2.580 30 20 BFED C=CC(C)(C)CNC(=O)N(CC)CC(C)C 458990235 QZJJSZRPBNMDAD-UHFFFAOYSA-N 226.364 2.886 30 20 BFED C#CCN(CC)C(=O)[C@@H](C)c1cccc(C)c1 490657200 QVEDLVNXCKUAAW-ZDUSSCGKSA-N 229.323 2.580 30 20 BFED CCC[C@@H](C#N)NC(=O)/C=C\c1ccsc1 491352653 OXWUFROVGAVWIC-WYGGZMRJSA-N 234.324 2.570 30 20 BFED 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20 BFED C=CCCSCCNC(=O)c1ccoc1C 597974163 BYZFDVNBNXAZIX-UHFFFAOYSA-N 239.340 2.627 30 20 BFED C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)C[C@@H](C)C1(F)F 599058015 HJHHNRMHQKMAFP-WISYIIOYSA-N 242.313 2.902 30 20 BFED CCC(C#N)(CC)C(=O)NC1CC2(CCC2)C1 600081171 KENUTAKUMUGZDF-UHFFFAOYSA-N 234.343 2.765 30 20 BFED CN(Cc1cccc(C#N)n1)[C@@H]1CCC(C)(C)C1 602645986 VYYYNFJEMVETAL-CQSZACIVSA-N 243.354 2.964 30 20 BFED C[C@@H](CC#N)NCc1nsc2ccccc12 602868891 DXKUHMQZRSWCFM-VIFPVBQESA-N 231.324 2.688 30 20 BFED CC(C)=C[C@@H]1[C@H](C(=O)NC[C@@H](C)C#N)C1(C)C 609524891 LQAHSXKVHJMLCE-QJPTWQEYSA-N 234.343 2.501 30 20 BFED C=C(C)CCNC(=O)[C@H]1CCc2cc(F)ccc21 615827001 NBJYUEBDDIIXJU-AWEZNQCLSA-N 247.313 2.938 30 20 BFED C=CCC1(NC(=O)c2conc2CC)CCCC1 619112268 YUDZBEGJBFCJQQ-UHFFFAOYSA-N 248.326 2.856 30 20 BFED C=CCOCCN(C)c1ccccc1C 622764635 VNFFXASZTPYZBU-UHFFFAOYSA-N 205.301 2.634 30 20 BFED C=CCN(C(=O)CCCF)C(C)(C)C 622945546 HXBUERWEAPYYIZ-UHFFFAOYSA-N 201.285 2.549 30 20 BFED C=CCC[C@H](C)NC[C@H]1CCCCN(C)C1 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CC#CCCOC(=O)c1ccn(C2CCCC2)n1 760288031 WSUDWICWIPUSAN-UHFFFAOYSA-N 246.310 2.568 30 20 BFED C#CCN(c1ccc([N+](=O)[O-])c(C)c1)C1CC1 763563137 ZBSGTNYGBWMASD-UHFFFAOYSA-N 230.267 2.505 30 20 BFED C[C@H](C(=O)O[C@H](C)C#N)c1c(F)cccc1F 763825999 JVPBHKVHYPSSKP-SFYZADRCSA-N 239.221 2.524 30 20 BFED CCC(=CC(=O)Nc1cc(CC#N)ccn1)CC 763909679 RZQJQVANGGQFCJ-UHFFFAOYSA-N 243.310 2.833 30 20 BFED C#CCN(C[C@H](C)c1ccccc1)C1CC1 763957864 LJKMPJBWDMBQSJ-ZDUSSCGKSA-N 213.324 2.888 30 20 BFED C#CCCN(C[C@@H](C)CC)CC(F)(F)F 767899124 GOLANMLFDBXHAO-JTQLQIEISA-N 221.266 2.920 30 20 BFED CC[C@@H]1C[C@H](C)CCC1=NN1CCOCC1 769566834 IPRJZVFJFXKEOV-VXGBXAGGSA-N 224.348 2.521 30 20 BFED Fc1cccc(Cl)c1NN=C1CCOC1 769830256 XQOUFCXOANQOEA-UHFFFAOYSA-N 228.654 2.667 30 20 BFED CC(Cc1cccs1)=NNCC(C)C 771565961 BDAFNANYRCMKRZ-UHFFFAOYSA-N 210.346 2.912 30 20 BFED CC1(C)CCCC[C@@H]1NN=C1CCN2CCC[C@@H]12 773124752 KYWMDHDGQDELJM-KBPBESRZSA-N 249.402 2.769 30 20 BFED CCOCCON=C1c2ccccc2C[C@@H]1C 774432068 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2.607 30 20 BFED Fc1ccc(C=NOC/C=C/Cl)cc1 811671277 QASPVCLDHWLIJA-DHJVMLNKSA-N 213.639 2.929 30 20 BFED N#CCCCC(=O)OC[C@H]1Cc2ccccc21 812617959 HDCOLDOOKTWJNX-GFCCVEGCSA-N 229.279 2.563 30 20 BFED N#Cc1ccc2c(c1)C(=NOCC1CC1)CC2 814241785 OGFSLSLPBBCIMI-UHFFFAOYSA-N 226.279 2.635 30 20 BFED CCO[C@H]1CC(=NOCC2CC2)C12CCC2 814244005 XQMSGQLPGPZFIO-LBPRGKRZSA-N 223.316 2.748 30 20 BFED CCCN(CC)C(=O)C#Cc1ccc(CC)cc1 814473385 IYMDCXGUTLLYQE-UHFFFAOYSA-N 243.350 2.859 30 20 BFED C=C[C@H](O)C(=O)O[C@@H](C)c1c(C)cc(C)cc1C 814543433 ASOYFZIUODYWFW-STQMWFEESA-N 248.322 2.763 30 20 BFED CCSCOc1ccc(C#N)c(F)c1 814750233 YEPSPSUUORBINW-UHFFFAOYSA-N 211.261 2.787 30 20 BFED C=C(C)[C@@H](C)OC(=O)c1c[nH]nc1C(C)(C)C 816018132 VKUPFACOHAHXOP-SECBINFHSA-N 236.315 2.829 30 20 BFED CC[C@@H](CC#N)OC(=O)c1c[nH]nc1C(C)(C)C 816039192 PYJKWJRJSUONTD-VIFPVBQESA-N 249.314 2.556 30 20 BFED C=CCC(F)(F)C(=O)N[C@@H](C)CC(F)(F)F 816131369 SLOXIVMCANHPHD-LURJTMIESA-N 245.191 2.655 30 20 BFED 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212.362 2.742 30 20 BFED CCc1ccc(C=NOCCC2(O)CCC2)cc1 853642962 UTTPHBVXFHXNKC-UHFFFAOYSA-N 247.338 2.905 30 20 BFED C=CCCCCCOC(=O)c1nccnc1C 853936734 UIPHTYYLRXLSMH-UHFFFAOYSA-N 234.299 2.688 30 20 BFED C#C[C@](C)(CC)NC(=O)[C@H](C)SCCCC 854701907 XIVVHAHPEVDCIR-WCQYABFASA-N 241.400 2.826 30 20 BFED C=CCCONC(=O)C[C@H](CC)C(C)C 856031625 XOCRECIBZLIUSB-NSHDSACASA-N 213.321 2.683 30 20 BFED C=C(C)C(C)(C)C(=O)OC[C@@H](OCC)C1CC1 859724387 CFFDDQLARSTEMI-GFCCVEGCSA-N 240.343 2.947 30 20 BFED CC(C)C(=NNCC(C)(C)O)C1CCCCC1 863139294 DMSNSAUHABZFGE-UHFFFAOYSA-N 240.391 2.939 30 20 BFED CC(C[C@@H]1CCOC1)=NNc1cccc(C)n1 863159806 FISUEMGVGPSSRR-LBPRGKRZSA-N 233.315 2.604 30 20 BFED CC(C)[C@H](C=NN1CCOC1=O)c1ccccc1 863160995 GHLQIYNNZUZIEB-ZDUSSCGKSA-N 246.310 2.864 30 20 BFED CC(=O)c1cc(F)ccc1NC[C@@H](C)C#N 865568650 WSIOQBGWQDASBX-QMMMGPOBSA-N 220.247 2.600 30 20 BFED c1ccc([C@@H]2CCC2=NN2CCC2)cc1 872396690 CPGFHMYNDIUOPG-LBPRGKRZSA-N 200.285 2.626 30 20 BFED Fc1ccc(/C=C\C=NN2CCC2)cc1F 872397181 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30 20 BFED C#CCCCCCc1nc(-c2cnsc2)no1 924147855 CYYCTKOGGHBCRI-UHFFFAOYSA-N 247.323 2.929 30 20 BFED C=C(C)CCN[C@@H]1CCCC[C@H]1CCCO 926519987 PGIFHRZPQMTVPK-UONOGXRCSA-N 225.376 2.874 30 20 BFED C[C@@H](CC(C)(C)C#N)Nc1cccc(CCO)c1 926549357 LKLADHFSYLEIDN-LBPRGKRZSA-N 246.354 2.962 30 20 BFED N#CC1(CCCCN2CCSCC2)CCC1 929276410 KUTADQYKAOTRME-UHFFFAOYSA-N 238.400 2.899 30 20 BFED C=C[C@H](CC)CC(=O)Nc1ccccc1O 930373931 PUXOZYPRUFVZJD-SNVBAGLBSA-N 219.284 2.933 30 20 BFED C=C[C@H](CC)CC(=O)N1CCC[C@@H]1C1CC1 931876292 JZPUKYPYRDOZPS-DGCLKSJQSA-N 221.344 2.990 30 20 BFED COc1ccc(CN2CCC[C@@H](C#N)C2)cc1C 932150552 CDMCZNKBXKARJD-AWEZNQCLSA-N 244.338 2.739 30 20 BFED C#CCN(Cc1csc(CCC)n1)C(C)C 932394868 SFADVNLSGLFFKL-UHFFFAOYSA-N 236.384 2.939 30 20 BFED C=C[C@H](CC)CC(=O)N1CCC(F)(F)CC1 935763354 XYGCTJNXTXLZDA-SNVBAGLBSA-N 231.286 2.846 30 20 BFED C=CCCN(C)C(=O)[C@H](C)OC1CCCCC1 1116739138 IZSXQQLGEQIBFT-LBPRGKRZSA-N 239.359 2.759 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@@H](C)n1cccc1 1116915861 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2.802 30 20 BFED N#CCCCOC(=O)C12CCC(CC1)CC2 1358257871 NZXDQVRNAYGSFP-UHFFFAOYSA-N 221.300 2.804 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)/C=C(/C)COC 1514859187 PPADMFHDNWRLGQ-KXXVWKPMSA-N 237.343 2.536 30 20 BFED C=C(CC)C(=O)N(C)[C@@H]1C[C@H](OCC)C1(C)C 1519587732 USBLQQSDPATRGT-NEPJUHHUSA-N 239.359 2.615 30 20 BFED C=C(C)[C@@H](C)OC(=O)c1cn(CCC)nc1C 1525268180 PINSEQZSJYXNBH-LLVKDONJSA-N 236.315 2.723 30 20 BFED Cc1ncccc1CSc1cccnc1C#N 1643928919 KMMCAODTHWHHTN-UHFFFAOYSA-N 241.319 2.949 30 20 BFED C=CCc1cccc(CN(CC)CCC(=O)O)c1 1776189272 FZXUFFNUQHLDRD-UHFFFAOYSA-N 247.338 2.712 30 20 BFED N#Cc1ncnc(Cc2ccc(Cl)cc2)c1F 1898217844 MTGASPQRKFKIKK-UHFFFAOYSA-N 247.660 2.732 30 20 BFED Cc1ccc2[nH]c(SCCC#N)nc2c1 6292227 DJKXIOGTXNWFLQ-UHFFFAOYSA-N 217.297 2.877 30 20 BFED CSc1cccc(NC(=O)C(C)(C)C#N)c1 42091346 RRRJFHXRCUBQTC-UHFFFAOYSA-N 234.324 2.897 30 20 BFED C=CCN(Cc1ccccc1)Cc1nnc(C)o1 45796792 HJHIRTXSJGRDCY-UHFFFAOYSA-N 243.310 2.566 30 20 BFED N#Cc1ccc(NC[C@H]2CCC=CO2)cc1 50267387 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C=CC(C)(C)C(=O)Oc1ccc2c(c1)OCCO2 296081674 RVJYLRRHICQTEE-UHFFFAOYSA-N 248.278 2.575 30 20 BFED C[C@H](CC(=O)N(C)[C@H](C)C#N)c1ccccc1F 297894946 PTJTZOKYBIXETL-GHMZBOCLSA-N 248.301 2.690 30 20 BFED C=CCN(Cc1cccc(C#N)c1)[C@H](C)COC 299340107 AHVMMPKAIPQDMG-CYBMUJFWSA-N 244.338 2.581 30 20 BFED CC[C@H]1C[C@@H]1Nc1ccc(Cl)c(C#N)n1 301270949 HQEKDWTXZMOJNH-CBAPKCEASA-N 221.691 2.817 30 20 BFED COc1cccc(SCCO[C@@H](C)C#N)c1 304189057 AADKLYHQVSXKGS-JTQLQIEISA-N 237.324 2.716 30 20 BFED C#CCCCNC(=O)[C@H](CC)CC(C)C 308004356 UUPYWDDEBGXMKW-GFCCVEGCSA-N 209.333 2.588 30 20 BFED Cc1nc(CN[C@H]2CCC[C@H](C#N)C2)cs1 309692145 JUSCGORCLSDSDP-QWRGUYRKSA-N 235.356 2.624 30 20 BFED C=C(CC)CN[C@@H]1CCc2cccnc21 313502583 UCMUROSJXCZUAO-GFCCVEGCSA-N 202.301 2.625 30 20 BFED CO[C@H](C)CCC(=O)Nc1cccc(CC#N)c1 313511572 GPKGOJJDJNZGCN-LLVKDONJSA-N 246.310 2.506 30 20 BFED Cc1cnc(N=C(O)[C@H]2CCC(=O)[C@H](C)C2)o1 329370964 JXZNYNHQKOFKFW-APPZFPTMSA-N 236.271 2.576 30 20 BFED Cc1ccc(C(=O)N(C)CC#N)c(Cl)c1C 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228.288 2.566 30 20 BFED C#CCN(Cc1cccc(C(C)=O)c1)C(C)C 932386779 AATXJMUBVMFWKB-UHFFFAOYSA-N 229.323 2.733 30 20 BFED Cc1ccc(C#N)cc1C(=O)N[C@@H]1CCC1(C)C 935975659 WILZHZSOCVRLJL-CYBMUJFWSA-N 242.322 2.785 30 20 BFED CC(C)[C@@H]1C[C@H]1CNc1cccc(CC#N)n1 1117757858 BHBVMEZWXRVFFJ-AAEUAGOBSA-N 229.327 2.852 30 20 BFED C#C[C@H](CC)OC(=O)c1cc(Cl)ncc1C 1122846601 RSWGTYOGIOTYMJ-SECBINFHSA-N 237.686 2.612 30 20 BFED CN(Cc1nccs1)[C@H](C#N)c1ccccc1 1191474551 JAJARDAYXCZZME-GFCCVEGCSA-N 243.335 2.840 30 20 BFED C=C(CC(C)C)C(=O)NC1(CC)CCOCC1 1263771718 PPLVLHVCKADAPI-UHFFFAOYSA-N 239.359 2.664 30 20 BFED C=C(Cl)CNC(=O)[C@@H](CC#N)c1ccccc1 1293720024 ILVDOJNXVACCFL-LBPRGKRZSA-N 248.713 2.553 30 20 BFED CC(C)[C@@H]1CCCCCN1C(=O)[C@H](C)C#N 1295676868 NHQPYJIMLGMPTR-NEPJUHHUSA-N 222.332 2.573 30 20 BFED C=C(C)CCC(=O)N1CCC[C@@H](C)CC1 1336306027 AYUXTOQBPVYMLQ-GFCCVEGCSA-N 209.333 2.991 30 20 BFED CCN(CC1CC1)C(=O)c1ccc(C#N)cc1F 1337162958 XTSYJHSXYROOFK-UHFFFAOYSA-N 246.285 2.569 30 20 BFED 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2.932 30 20 BFED N#C[C@@H](C(=O)c1ccc(Cl)o1)c1ccccn1 78732813 OVYSICWBULHKOA-MRVPVSSYSA-N 246.653 2.818 30 20 BFED C=CCN(CC=C)C(=O)NCc1cccs1 79011061 GUCYTADYXQLEFL-UHFFFAOYSA-N 236.340 2.632 30 20 BFED CCc1cccc(OCCN(CC)CCC#N)c1 81513768 UHEVZYPZMIMNAC-UHFFFAOYSA-N 246.354 2.863 30 20 BFED CCC(O)(CC)CNc1ccc(C#N)cc1 82263712 NMLOPORBEODOIL-UHFFFAOYSA-N 218.300 2.521 30 20 BFED CC[C@H](C#N)OC(=O)c1ccc(SC)cc1 84714094 OXJVDYJCAGNLNK-SNVBAGLBSA-N 235.308 2.867 30 20 BFED COc1ccccc1C[C@H](C)N(C)CCCC#N 88194789 HAGMLKPOHNEIMD-ZDUSSCGKSA-N 246.354 2.862 30 20 BFED C=CCOc1ccc(OC(=O)C(C)(C)F)cc1 91863753 MYMTXXYNDDALFA-UHFFFAOYSA-N 238.258 2.905 30 20 BFED CC[C@@H](C#N)C(=O)N1C[C@@H](C)Cc2ccccc21 104016853 NNIQZBADMOGQEL-RYUDHWBXSA-N 242.322 2.762 30 20 BFED C=CC1CCN(C(=O)COCCCCC)CC1 110361363 AEVZTZCKFCPUBJ-UHFFFAOYSA-N 239.359 2.618 30 20 BFED CCCCCCCC(=O)N(C)CC(C)(C)CN 118855401 ZJNRMOQHLUCLLE-UHFFFAOYSA-N 242.407 2.790 30 20 BFED C=CCC[C@H](NCC(O)(CC)CC)C1CC1 120704549 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243.266 2.821 30 20 BFED C=CCOCC(=O)N[C@@](C)(CC)c1ccccc1 730760883 JMCYWOVFAVKOKF-HNNXBMFYSA-N 247.338 2.631 30 20 BFED CCCCC(COC)=NNC1CCCC1 737434774 PGUMVTWKGDSIET-UHFFFAOYSA-N 212.337 2.711 30 20 BFED C=CCCCONC(=N)Cc1cccs1 740872204 IOXQTABOEOQGAU-UHFFFAOYSA-N 224.329 2.755 30 20 BFED CCC(CC)NN=Cc1scnc1C 743440403 LWWMFPIVGGGQHN-UHFFFAOYSA-N 211.334 2.564 30 20 BFED CC#CCOC(=O)[C@@H](C)Cc1cccc(F)c1 744873871 PBWPRKLUWCPDRM-NSHDSACASA-N 234.270 2.571 30 20 BFED C=C(C)COC(=O)[C@@](C)(O)[C@H](C)c1ccccc1 748487259 NQEMXBXWCOUFDZ-DOMZBBRYSA-N 248.322 2.660 30 20 BFED CC(=NOCC(C)C)c1ccc(F)cc1O 749630991 FGGQXLWZDBOXTM-UHFFFAOYSA-N 225.263 2.928 30 20 BFED C#CCCOC(=O)Cc1ccc(SCC)cc1 752480440 XBAIWHFSJKBFRS-UHFFFAOYSA-N 248.347 2.908 30 20 BFED C#C[C@@H](CC)NC(=O)Nc1ccc(CC)cc1 752972467 BQKIKSQUNQLAFO-LBPRGKRZSA-N 230.311 2.782 30 20 BFED CC[C@@H](C)COC(=O)c1ccc(C=NOC)cc1 756328819 LTEFNNWYUNBMBK-LLVKDONJSA-N 249.310 2.870 30 20 BFED Cc1oc2ccccc2c1C=NNC[C@@H](C)C#N 758119851 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Cn1ccnc1NN=C1CCC(C)(C)CC1 790305805 OMKUZMQSSYDBCH-UHFFFAOYSA-N 220.320 2.788 30 20 BFED C=C(CC)COC(=O)c1ccc(C)nc1OCC 791652664 VXZYTZSMZVVDTP-UHFFFAOYSA-N 249.310 2.912 30 20 BFED CC(=NNCC1(C)CCCC1)c1cc(C)n(C)n1 793084737 RWKQRMJPTLGDBW-UHFFFAOYSA-N 248.374 2.622 30 20 BFED CO[C@@H]1CCCC(=NN[C@@H](C)C(C)(C)C)C1 793114679 IQAPCUATHIMHMY-CMPLNLGQSA-N 226.364 2.956 30 20 BFED Cc1ccc(C)c(NN=Cc2c(C)cnn2C)c1 794877380 FUHBNOKSDWLXTR-UHFFFAOYSA-N 242.326 2.791 30 20 BFED C[C@H]1CSCC1=NNc1ccccc1F 794886973 BQKWFZSEELIPTD-QMMMGPOBSA-N 224.304 2.977 30 20 BFED C=CCNN=Cc1cccc(OC(F)(F)F)c1 794998939 QGJGYPRWFNYFJC-UHFFFAOYSA-N 244.216 2.695 30 20 BFED C[C@H](O)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 799715558 SBPWEHSCWKESCX-NJZAAPMLSA-N 244.338 2.522 30 20 BFED C=CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccncc1 799718640 IMEWYUKTMWVTFW-SNPRPXQTSA-N 241.338 2.981 30 20 BFED CC[C@H](C#N)OC(=O)c1cc[nH]c1C(C)C 803778901 ZOCHKXPQKCADFU-SECBINFHSA-N 220.272 2.597 30 20 BFED FC(F)CON=Cc1ccc(C(F)(F)F)[nH]1 807983164 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CC/C=C(/C)C(=O)Nc1ccc(OC)c(C#N)c1 830420745 RRTJXVVEOJSSBQ-YHYXMXQVSA-N 244.294 2.862 30 20 BFED CO[C@@H]1CC(=NOCc2cccnc2)C12CCC2 834966472 OVLYVVYNPOYLIF-CYBMUJFWSA-N 246.310 2.543 30 20 BFED Cc1ccc(CCCC=Nn2ccnn2)cc1C 835012078 TWZSGQHGQMMNTE-UHFFFAOYSA-N 242.326 2.752 30 20 BFED CC[C@H](CC#N)OC(=O)C1=CC[C@H](C)CC1 835338860 BFTLNWFDMHLRKJ-CMPLNLGQSA-N 221.300 2.968 30 20 BFED Cc1ccc(CNC(=O)C#CC(C)(C)C)cc1F 837321746 NJSVTHJDPSOAQF-UHFFFAOYSA-N 247.313 2.800 30 20 BFED CC(C)(C)C#CC(=O)NCCCC(C)(C)C 837430121 BQRXPSZOJOMTEP-UHFFFAOYSA-N 223.360 2.978 30 20 BFED CCCCCCCOC(=O)Cn1ccc(C)n1 837813187 JCBCJLJWOSKJRO-UHFFFAOYSA-N 238.331 2.705 30 20 BFED C[C@H](OC(=O)C#CC1CC1)c1cccc(C#N)c1 838366427 FBRPYDCZIVBBCH-NSHDSACASA-N 239.274 2.576 30 20 BFED CCc1noc(C)c1COC(=O)C#CC(C)(C)C 838373045 SZLLDWVSVDPERM-UHFFFAOYSA-N 249.310 2.638 30 20 BFED C=CCONC(=O)NCCCCCCCC 838709458 ZQWHEVBYVMLINM-UHFFFAOYSA-N 228.336 2.764 30 20 BFED C#CCC[C@@H](C)OC(=O)C(F)(F)CC=C 839039000 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30 20 BFED CC(C)CON=C[C@H]1CC1(Cl)Cl 853323221 UTZJIKDWMZQEPX-SSDOTTSWSA-N 210.104 2.839 30 20 BFED Oc1ccc(F)c(C=NOCC2CCC2)c1F 853440783 IOIKBIBBVCUBCU-UHFFFAOYSA-N 241.237 2.821 30 20 BFED C[C@@H]1CC/C(=C/C(=O)N2CCC[C@@H](CC#N)C2)C1 855254703 PMAWQTMTYWJQRY-IJEMZBSNSA-N 246.354 2.885 30 20 BFED C=CCCONC(=O)/C=C/C(=C/C)CC 856032111 HGPYQGWOGOJFLT-SXGHKVHISA-N 209.289 2.523 30 20 BFED C=CCCONC(=O)[C@@H]1CCC[C@@H]1CCC 856035954 PDKRGVBDJXOIKL-NWDGAFQWSA-N 225.332 2.827 30 20 BFED C#Cc1cccc(NC(=O)NCC2CC(C)C2)c1 856820780 XPHASHCASPFIIE-UHFFFAOYSA-N 242.322 2.836 30 20 BFED C#CCCOC(=O)N[C@H]1CCCCC1(C)C 859062873 UGVFJAZYBXHQIM-NSHDSACASA-N 223.316 2.705 30 20 BFED C#CC[C@H](CCOC)N[C@H](C)C1CCCC1 862549231 XPBCEYIRKQGVKY-TZMCWYRMSA-N 223.360 2.583 30 20 BFED C[C@H](C=NN1CCOC1=O)CCc1ccccc1 863163089 NXBUPCOWTYXYTK-LBPRGKRZSA-N 246.310 2.693 30 20 BFED C[C@@H]1C[C@@H]1C=NNCCCOCc1ccccc1 863178147 DFSYEBJUHYPZCN-UKRRQHHQSA-N 246.354 2.825 30 20 BFED CCCCCCCN1C(=O)CN(CCC)C1=O 863519905 QWJKMKQKKLGCJI-UHFFFAOYSA-N 240.347 2.631 30 20 BFED C#CCCCCCCN[C@@H](C)[C@@H](OC)C1CC1 877572005 CPTNWCZQRPDYQV-DZGCQCFKSA-N 237.387 2.973 30 20 BFED C#CC(C)(C)NC(=O)Nc1cc(C)cc(F)c1 878975431 DIHITXLVGZODKX-UHFFFAOYSA-N 234.274 2.667 30 20 BFED C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)C1 879658327 BHZYVHRHLQRDJQ-MNOVXSKESA-N 209.333 2.894 30 20 BFED C=C1CCC(C(=O)N2C[C@H]3[C@@H](C2)C3(C)C)CC1 889230164 QVPKLCYQRZYJMQ-BETUJISGSA-N 233.355 2.847 30 20 BFED C[C@@H](C#N)CN(C)Cc1ccc2c(c1)CCCO2 891715880 JVAZABJDYOXKFD-LBPRGKRZSA-N 244.338 2.603 30 20 BFED C=CC(C)(C)CC(=O)OC[C@](C)(OC)C1CC1 893055516 QAXKXWROQQPOGR-AWEZNQCLSA-N 240.343 2.947 30 20 BFED CCC#CCOC(=O)c1c(F)ccc(C)c1F 893841131 PUQCLKCESSZNEO-UHFFFAOYSA-N 238.233 2.843 30 20 BFED C=C1CN(C(=O)CCc2ccc(Cl)cc2)C1 898692058 JQTQFJISGQVCOE-UHFFFAOYSA-N 235.714 2.671 30 20 BFED C=C1CN(C(=O)[C@H](C)c2ccc(Cl)cc2)C1 898703720 WYIBUADMTNCPJC-SNVBAGLBSA-N 235.714 2.842 30 20 BFED C=C[C@@](C)(CC)C(=O)NN1[C@@H](C)CCC[C@H]1C 907996182 IRLXTKPFIFCCMI-SCRDCRAPSA-N 238.375 2.883 30 20 BFED C[C@@H](C=NNc1ncccn1)c1ccccc1 912973023 FFSJLYABIAZEFM-NSHDSACASA-N 226.283 2.678 30 20 BFED CCc1ccccc1CN1CCC[C@@H](C#N)C1 932148139 KVKCGMPAQDAREU-ZDUSSCGKSA-N 228.339 2.985 30 20 BFED CC[C@@H](C)CCNC(=O)c1csc(C#N)c1 1118727391 YZMODARLMHCWAP-SECBINFHSA-N 236.340 2.786 30 20 BFED Cc1ccc(N[C@H]2CCC[C@@H](F)C2)c(C#N)n1 1119343178 QNSAFPQGLLFBES-MNOVXSKESA-N 233.290 2.954 30 20 BFED CNc1ccccc1CN1CCC(CC#N)CC1 1232671660 ORFGPIVGWNOJET-UHFFFAOYSA-N 243.354 2.854 30 20 BFED Cc1ccc(Oc2cc(C)c(C#N)cn2)cn1 1306943704 OVVSRYMXDDKBFR-UHFFFAOYSA-N 225.251 2.757 30 20 BFED C#CCN(CC1CC1)C(=O)/C(C)=C(\C)CC 1320770221 KUSCBUABCCCEHI-VAWYXSNFSA-N 219.328 2.605 30 20 BFED C#CCN(Cc1ccc(OC)c(F)c1)CC1CC1 1324764047 KWEKZDIQDJIVGB-UHFFFAOYSA-N 247.313 2.680 30 20 BFED C#C[C@@H](CC)NC(=O)OCC1CCCCC1 1328749503 QWLCKDPCTWZQFL-LBPRGKRZSA-N 223.316 2.705 30 20 BFED C#Cc1cccc(N(CC)C(=O)[C@@H](F)CC)c1 1336962837 AVVMUVLGEHTWEB-ZDUSSCGKSA-N 233.286 2.769 30 20 BFED CC(C)[C@H](C#N)C=NNc1cc(Cl)ccn1 1341894154 PIFJKRXYWAYXIM-SECBINFHSA-N 236.706 2.928 30 20 BFED C=C[C@@H](COC)N[C@@H](CC)Cc1ccccc1 1342732093 JEQOEENDPXJOBG-GJZGRUSLSA-N 233.355 2.798 30 20 BFED Cc1cc(F)ncc1C=NOCC(C)C 1345043670 VUWVHGVOZKHNGM-UHFFFAOYSA-N 210.252 2.536 30 20 BFED C=C(C)CN(CC)C(=O)NCCCC(F)F 1354192766 IRCIHOBOBNVNHK-UHFFFAOYSA-N 234.290 2.639 30 20 BFED Cc1cc(NCC=C(Cl)Cl)ncc1C#N 1458615845 FOWQVUPEUDDKLH-UHFFFAOYSA-N 242.109 2.993 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)[C@H]1CCC(C)(C)C1 1518552472 XLAZLCIIMYUPBD-RYUDHWBXSA-N 236.359 2.963 30 20 BFED CC[C@H](C#N)N(CC)C(=O)c1cccs1 1518562963 MBJQWSGQPJUFOT-SECBINFHSA-N 222.313 2.512 30 20 BFED CCC/C(C)=C/C(=O)OCC#Cc1ccccn1 1525794406 YUUMCNVRXPQEIG-OUKQBFOZSA-N 243.306 2.723 30 20 BFED C=CCCCCN1CC[C@H](C(=O)O)CC12CC2 1776207851 VLXHFVNMGHPKFL-LBPRGKRZSA-N 237.343 2.672 30 20 BFED CC(C)CN(C)Cc1cccc(C#N)c1 37023802 VAFACRASQFCFEN-UHFFFAOYSA-N 202.301 2.646 30 20 BFED COc1cccc([C@@]2(C#N)CCCC(=O)C2)c1 39209120 MCJJAYAOJAEIFS-AWEZNQCLSA-N 229.279 2.600 30 20 BFED C#Cc1cccc(NC(=O)NCCC(C)C)c1 43986604 PUZWYMKWGYQBNP-UHFFFAOYSA-N 230.311 2.836 30 20 BFED CCN(Cc1cccs1)C(=O)C(C)(C)C#N 44351217 PJMLWLJKWHMRPP-UHFFFAOYSA-N 236.340 2.646 30 20 BFED CC[C@](C)(C#N)NC(=O)Cc1cc(C)ccc1C 53143051 IHZHPIQUSWVJOM-OAHLLOKOSA-N 244.338 2.654 30 20 BFED CCOCCN(CC)[C@H](C)c1ccc(C#N)cc1 54340281 CGPABJPOUWRWEQ-CYBMUJFWSA-N 246.354 2.978 30 20 BFED Cc1ccc(C(=O)N(C)[C@H](C)C#N)cc1Cl 63021689 WPPGDYSNOCOVIV-SECBINFHSA-N 236.702 2.633 30 20 BFED C#CCNc1ccccc1N1CCCCC1 70184410 WAQHRLYGUUMKMM-UHFFFAOYSA-N 214.312 2.722 30 20 BFED C=CCCN[C@@H](C)c1sc(C)nc1C 70591829 DBMIXAFZFDRHAU-QMMMGPOBSA-N 210.346 2.987 30 20 BFED C=CCN(CCOCC)Cc1ccc(OC)cc1 79483565 VKHKYEBLLYNWNI-UHFFFAOYSA-N 249.354 2.720 30 20 BFED C[C@@H]1CCN(c2cccc(C#N)n2)[C@H](C)C1 81619181 WYDMWMCGBYSNAZ-GHMZBOCLSA-N 215.300 2.578 30 20 BFED Cc1c(NC(=O)CC#N)cccc1C(F)(F)F 83370045 DCZQVKJUNNQYHS-UHFFFAOYSA-N 242.200 2.866 30 20 BFED CCCC[S@@](=O)Cc1ccc(C#N)cc1 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BFED C=CCC[C@@H](NCc1nccs1)C1CC1 120371250 LDJOXDDZAWDYDD-LLVKDONJSA-N 222.357 2.978 30 20 BFED CC1(Nc2nc(C(F)(F)F)ccc2C#N)CC1 134120172 UENXOPFDNOANNL-UHFFFAOYSA-N 241.216 2.936 30 20 BFED N#Cc1ccc(CNCCc2cccc(F)c2)o1 135135034 FMKDVSJGXSOLGP-UHFFFAOYSA-N 244.269 2.623 30 20 BFED CC[C@@H](O)CCNc1cc(Cl)ccc1C#N 135508559 VSPCOCHQTXANQP-LLVKDONJSA-N 238.718 2.785 30 20 BFED CCC(CC)n1nccc1C(=O)O[C@@H](C#N)CC 153603481 MUHNBMWYXHDCFE-LLVKDONJSA-N 249.314 2.703 30 20 BFED C#CCCCCNC(=O)CCc1ccccc1F 156090748 HQTNBLROXYBMLA-UHFFFAOYSA-N 247.313 2.678 30 20 BFED C#CCCCCNC(=O)Cc1ccc(CC)cc1 156650153 CWVVSEDBVVABOA-UHFFFAOYSA-N 243.350 2.711 30 20 BFED C=C[C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] 158736851 YNKYMIBJKMRKMZ-LURJTMIESA-N 227.651 2.630 30 20 BFED CC1(C)[C@H]2CN(Cc3cccc(C#N)c3)C[C@@H]21 172957614 LPJNFIMTRDUAQL-KBPBESRZSA-N 226.323 2.646 30 20 BFED CCC(=O)O[C@H](C)c1ccc(C#N)cc1 175774579 XZPRAVIZRZHASB-SECBINFHSA-N 203.241 2.572 30 20 BFED Cc1[nH]ccc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 176609508 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30 20 BFED C=C[C@H](C)NC(=O)N1CC2(CCC2)C[C@@H]1C 336418268 VLXUHIMBRZQQKJ-QWRGUYRKSA-N 222.332 2.535 30 20 BFED C[C@H]1CCCC[C@H]1CC(=O)NC1(C#N)CCC1 336574267 JDJVKNIXDIYDLV-RYUDHWBXSA-N 234.343 2.765 30 20 BFED C=C(C)CN(CC)C(=O)N(C)C1CCCC1 337779802 AKMXDWYBLOPJTA-UHFFFAOYSA-N 224.348 2.879 30 20 BFED C=CCCOc1cc(OC)c(OC)c(OC)c1 339026229 GOCPCYILEUYINJ-UHFFFAOYSA-N 238.283 2.667 30 20 BFED C=CCOCCN1CC[C@@H](C(C)(C)C)C1 339083387 RMSFTELBERFQCS-GFCCVEGCSA-N 211.349 2.557 30 20 BFED C=C(C)[C@H](CC(=O)N(C)[C@H](C)CC)OCC 339192997 NFSONGOWHZITKO-NEPJUHHUSA-N 227.348 2.615 30 20 BFED C=C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 342482482 PWWASLKGPSXYPF-QMMMGPOBSA-N 234.255 2.784 30 20 BFED CCc1ccc([C@@H](C)C(=O)NCCCC#N)cc1 342638724 WZCYTPSWWZGKHV-GFCCVEGCSA-N 244.338 2.772 30 20 BFED C=C[C@H](C)NC(=O)c1ccc(C(C)C)nc1C 342822790 BTKIOQGRKHMHMZ-JTQLQIEISA-N 232.327 2.818 30 20 BFED CC[C@@H](Nc1nccc(C)c1C#N)[C@H]1CCCO1 343524878 ZSGIFONSHPNRHU-CHWSQXEVSA-N 245.326 2.631 30 20 BFED 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CC(CCCC(C)C)=NN[C@@H]1CCCOC1 780260663 GIONFMQWLUXECG-CYBMUJFWSA-N 226.364 2.957 30 20 BFED C=CCCN(C)C(=O)Nc1cccc(Cl)n1 786116564 COKHECGXHDLZGK-UHFFFAOYSA-N 239.706 2.775 30 20 BFED C#CCCCCNC(=O)N(CC)CC1CCC1 793103000 LAJXZTUFQOYQBG-UHFFFAOYSA-N 236.359 2.622 30 20 BFED CC[C@H](C)CON=Cc1cccc(OCC#N)c1 793146322 PYZQMQCRYHHUSS-LBPRGKRZSA-N 246.310 2.986 30 20 BFED C[C@@H]1c2ccc(Cl)n2CCN1CC1(C#N)CC1 794446435 TVECPKXKLNPTFJ-SNVBAGLBSA-N 249.745 2.822 30 20 BFED N#Cc1cccc(C=NNc2cccc(F)n2)c1 795008939 UHWCGQLXAADTMX-UHFFFAOYSA-N 240.241 2.538 30 20 BFED C=CCC(C)(C)C(=O)OCc1cncc(F)c1 796462308 JEYONKFGYACSTR-UHFFFAOYSA-N 237.274 2.866 30 20 BFED CC(C)C[C@@H](C)COC(=O)c1ccc(C#N)[nH]1 798660267 FYJQKWGKQIHRBJ-SNVBAGLBSA-N 234.299 2.725 30 20 BFED C[C@@H]1CC[C@H](C=NNc2ccccn2)C1 800807223 SUFLNQIBUBWFMP-MNOVXSKESA-N 203.289 2.916 30 20 BFED CC#CC(=O)N(Cc1ccccc1C)C1CC1 801119684 TUGATECNCBMVTP-UHFFFAOYSA-N 227.307 2.509 30 20 BFED CC#CC(=O)Nc1ccc(CC)c(C)c1 801181436 PJLQFPSHGRZFJN-UHFFFAOYSA-N 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2.612 30 20 BFED CC#CCNC(=O)[C@@H](CC)CC1CCCC1 121490828 KPUJNQSKDAWVHU-ZDUSSCGKSA-N 221.344 2.732 30 20 BFED C=C(C)CNCc1c[nH]nc1-c1ccccc1 122573229 OQPBRGMSARMDEE-UHFFFAOYSA-N 227.311 2.742 30 20 BFED C=C[C@H](C)NC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 128274441 KCWYBGHYLSZGIJ-ZWKOPEQDSA-N 248.301 2.555 30 20 BFED C=C[C@H](C)NC(=O)N1CCC2(CCCC2)C1 128351237 FPAIKZMBKRACRV-NSHDSACASA-N 222.332 2.537 30 20 BFED C=CCCn1cnc2sc3c(c2c1=O)CCC3 128494760 IJFSPZYLPJWPIM-UHFFFAOYSA-N 246.335 2.523 30 20 BFED C=C[C@H](C)Nc1nc2ccccc2nc1C 130646094 CYPLMGORQXMISQ-VIFPVBQESA-N 213.284 2.925 30 20 BFED C=CCCCCCN(C)CCn1ccnc1 131436375 QEZXOHRFDNUXEG-UHFFFAOYSA-N 221.348 2.561 30 20 BFED C=C(Cl)CN[C@H]1C[C@@H](OC)C1(CC)CC 132871581 JNTIOGKUWBYEQZ-WDEREUQCSA-N 231.767 2.922 30 20 BFED Cc1ccnc(N2Cc3ccccc3C2)c1C#N 135074590 UPWGRVJFJAPCMB-UHFFFAOYSA-N 235.290 2.782 30 20 BFED Cc1ccnc(N[C@H](C)C2CCC2)c1C#N 135527116 BDJMBZNKQMQQCP-SNVBAGLBSA-N 215.300 2.862 30 20 BFED CN(CCc1ccccc1)c1cnccc1C#N 135611998 MXNFXLCSIPAVOJ-UHFFFAOYSA-N 237.306 2.632 30 20 BFED CC#CCNC(=O)N(C)[C@H](C)c1ccccc1F 135981176 FJWKJFSZXQDTSU-LLVKDONJSA-N 248.301 2.551 30 20 BFED C=CCNC(=O)N[C@@H]1CCCc2sccc21 143877891 CJUCNJZSLPTKTL-SNVBAGLBSA-N 236.340 2.611 30 20 BFED C=CCCCOC(=O)[C@@H]1OCCc2ccccc21 153887969 AJJFEKWBWLIPJL-CQSZACIVSA-N 246.306 2.810 30 20 BFED C#CCNC(=O)N1CCCC[C@H]1CCC(C)C 156671788 COUMQNXNJYCZSD-ZDUSSCGKSA-N 236.359 2.620 30 20 BFED CCC(CC)CN(CC)C(=O)c1ccc(C#N)[nH]1 157872940 JTDLVLWBXHAKMV-UHFFFAOYSA-N 247.342 2.785 30 20 BFED CC#CCN(Cc1ccccc1)C[C@H]1CCCO1 159549648 VNGFLURMZJCCJQ-MRXNPFEDSA-N 243.350 2.691 30 20 BFED C=C(C)CNc1ccc(C(C)=O)cc1[N+](=O)[O-] 160602862 SYPXQYBZDLWANA-UHFFFAOYSA-N 234.255 2.785 30 20 BFED C=CCN(C)C(=O)C[C@@H](C)c1ccccc1 161652251 NJGLEMSYKZLERK-GFCCVEGCSA-N 217.312 2.825 30 20 BFED CCCCCNC(=O)c1cc(C#N)cs1 176808226 MZPUDVKFQHHLCB-UHFFFAOYSA-N 222.313 2.540 30 20 BFED C#CCCCNCc1ccc(F)cc1Cl 178627508 ONNFHGULTSDXEG-UHFFFAOYSA-N 225.694 2.982 30 20 BFED C=CCC[C@H](NC1CCN(CC=C)CC1)C1CC1 178690041 HBIQHAGFKHBWNM-INIZCTEOSA-N 248.414 2.971 30 20 BFED C=C(C)CN1CCc2ccc([N+](=O)[O-])cc21 182766428 SYUCYBJSNUWKIT-UHFFFAOYSA-N 218.256 2.533 30 20 BFED CCC[C@H](C(=O)N[C@@H](CC)CC#N)C(C)C 183788680 DLMSTLSPROZPFH-RYUDHWBXSA-N 224.348 2.867 30 20 BFED C#CCOc1ccccc1NCCCC 184619672 GBOALKCUHOVXBV-UHFFFAOYSA-N 203.285 2.911 30 20 BFED C=CC[C@@H](C)NC(=O)N1CCCC2(CC2)C1 185720870 JPZSQORARXFNQT-LLVKDONJSA-N 222.332 2.537 30 20 BFED C#C[C@@H](C)NC(=O)c1csc2c1CC[C@H](C)C2 186048501 XNUHDIISNKBLIB-VHSXEESVSA-N 247.363 2.624 30 20 BFED C=C[C@](C)(CCOC)C(=O)N(CC)CC(=C)C 188098599 HNWKKFHUKPURNV-CQSZACIVSA-N 239.359 2.640 30 20 BFED C#CCN(C)C(=O)c1cccc(-c2ccoc2)c1 191079322 MQUFHYOJLKZEER-UHFFFAOYSA-N 239.274 2.652 30 20 BFED C#CCCCC(=O)N[C@H]1CCC[C@@H]1SCC 192370091 CITSYRGAOFXWSK-RYUDHWBXSA-N 239.384 2.580 30 20 BFED N#Cc1ccc(CSC[C@H]2CCCO2)cc1 192684059 MTMNZXXEICCRAU-CYBMUJFWSA-N 233.336 2.970 30 20 BFED C=C(CN[C@@H]1CCSC1)c1ccccc1 222870111 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C#CCCCS[C@@H](C)C(=O)OC(C)(C)C 270950523 VKNVKWFSHFEVJY-JTQLQIEISA-N 228.357 2.863 30 20 BFED C[C@H]1C[C@@H](C/N=C/c2ccccc2O)CCO1 271260117 IKQNXEJPHUOTSK-ZQVVPALOSA-N 233.311 2.626 30 20 BFED COc1ccc([C@@H](C)NCCCC#N)cc1C 273313845 XLZRIHTZXHLOSA-GFCCVEGCSA-N 232.327 2.958 30 20 BFED CC(C)[C@@H]1CN(c2cccnc2C#N)CCS1 274023930 LYIZJIRNFKBZGB-ZDUSSCGKSA-N 247.367 2.531 30 20 BFED C=C(C)CS(=O)(=O)Oc1ccc(C)cc1C 280636216 UINVAJIJRZYRQN-UHFFFAOYSA-N 240.324 2.588 30 20 BFED C=CCN(CC=C)C(=O)CSCCCC 280879072 UENSFSXUHDZXDX-UHFFFAOYSA-N 227.373 2.720 30 20 BFED C=CCCCNc1ccc(C(=O)N(C)OC)cc1 281307955 ZTBVFTPAODHASX-UHFFFAOYSA-N 248.326 2.698 30 20 BFED C=CCn1c(C)nnc1N1CCC[C@](C)(CC)C1 282232873 JMZRNARSTAQXGU-AWEZNQCLSA-N 248.374 2.789 30 20 BFED C#CCCCn1ccc(C(C)(C)C)cc1=O 289842330 PYTVKTWEWJDFKS-UHFFFAOYSA-N 217.312 2.559 30 20 BFED C=C[C@@H](CO)N[C@@H](CC)c1ccc(Cl)cc1 289882129 SCTOIFGKPWBITP-STQMWFEESA-N 239.746 2.928 30 20 BFED Cc1ccc(C(=O)N[C@]2(C#N)CC2(C)C)c(F)c1 291420056 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30 20 BFED N#Cc1ccc(CNCc2cccs2)o1 135480775 GSAROYCWHJHPRP-UHFFFAOYSA-N 218.281 2.503 30 20 BFED C=C(C)CNC(=O)c1ccc(Cl)s1 150123850 VMWMDODMXMJGAK-UHFFFAOYSA-N 215.705 2.707 30 20 BFED Cc1ccc(NC(=O)N[C@@H](C)CC#N)c(C)c1 153136258 IAPMKUVTTMYGMT-NSHDSACASA-N 231.299 2.727 30 20 BFED C=C(C)CN(CC)C(=O)c1cccc2[nH]cnc12 157873300 WLGVLNHKHOOTLF-UHFFFAOYSA-N 243.310 2.601 30 20 BFED C=C[C@@H](C)NC(=O)c1cc2cc(N)ccc2s1 159684328 CIMPBMHPCYSKQY-MRVPVSSYSA-N 246.335 2.788 30 20 BFED Cc1cncc(CNc2nc(C)ccc2C#N)c1 162163991 ADMLTYHPDTVGTA-UHFFFAOYSA-N 238.294 2.577 30 20 BFED C[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(C#N)c1 162310089 YWALRTHVHXDEOY-GHMZBOCLSA-N 228.295 2.571 30 20 BFED CC#CCCNC(=O)c1ccc(C)c(Cl)c1 163339716 TXCIHPLASPPPLA-UHFFFAOYSA-N 235.714 2.792 30 20 BFED C=C(C)CCNCc1ccc(OC)cc1OC 164424940 QNPQPQFMZWEBSE-UHFFFAOYSA-N 235.327 2.760 30 20 BFED CCN(C(=O)[C@H]1C[C@H]1C)c1ccc(C#N)cc1 174077788 UXCVOWSWBFQOQV-MFKMUULPSA-N 228.295 2.567 30 20 BFED C#CCCCN[C@@H](C)c1ccccc1N(C)C 179414722 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C=CCNC(=O)CCCc1c[nH]c2ccccc12 21876926 QFBQTMYULRSBRL-UHFFFAOYSA-N 242.322 2.793 30 20 BFED CCOc1ccc(NCCC#N)cc1OCC 33434288 RXWSGGVJWQLOCA-UHFFFAOYSA-N 234.299 2.810 30 20 BFED Cc1cc(N(C)C[C@@H](C)C#N)nc(C(C)C)n1 42251869 IXTDOTPYTZDNED-JTQLQIEISA-N 232.331 2.504 30 20 BFED CN(C[C@@H]1CCCCO1)c1ccc(C#N)cc1F 42466252 ZICSTYNLVBZNHR-LBPRGKRZSA-N 248.301 2.703 30 20 BFED CC(C)c1ccc(NC(=O)[C@@H](C)C#N)cc1 44809853 OHZHNTIXQXNAFO-JTQLQIEISA-N 216.284 2.908 30 20 BFED Cc1cccc(C(=O)N[C@H](C#N)CC(C)C)c1 57518557 IXABNZISSBJELM-ZDUSSCGKSA-N 230.311 2.663 30 20 BFED CCCCCCC[C@@H](C)NC[C@H](C)O 59292804 DEPJBCHXMLVCRI-NEPJUHHUSA-N 201.354 2.706 30 20 BFED CCC(C#N)(CC)C(=O)N1CCC(C)(C)CC1 61821260 DCETVODLXHGJBO-UHFFFAOYSA-N 236.359 2.965 30 20 BFED C=CCCO[C@@H](C)C(=O)Nc1ccc(OC)cc1 69311548 MKDCYLDSRSLBON-NSHDSACASA-N 249.310 2.615 30 20 BFED C#CCCCOC(=O)c1ccc(SCC)nc1 70034821 ADPYAKJRPHZKCQ-UHFFFAOYSA-N 249.335 2.764 30 20 BFED CC(C)COC(=O)/C=C/c1ccccc1C#N 78300320 JUVYGRHHMJTXOV-BQYQJAHWSA-N 229.279 2.771 30 20 BFED CCCN(CC#N)Cc1cnc(Cl)s1 79317248 NUVRCJULZJPUJX-UHFFFAOYSA-N 229.736 2.532 30 20 BFED CC(C)(C#N)CCSc1cnccn1 83640639 CZIIAAGHOGDIGP-UHFFFAOYSA-N 207.302 2.509 30 20 BFED Cc1cnc(NC(=O)c2cc(C#N)cs2)s1 84060376 DNNSHGZVMNBWGO-UHFFFAOYSA-N 249.320 2.637 30 20 BFED N#Cc1ccc(NC(=O)[C@H]2Cc3ccccc32)cc1 85607580 JMQONUDAJVXOAF-HNNXBMFYSA-N 248.285 2.837 30 20 BFED CC[C@@H]1CO[C@H](C)CN1CCCC(C)(C)C#N 87608539 XPBIBFWCJFPLRP-CHWSQXEVSA-N 238.375 2.816 30 20 BFED Cc1cc(CN(C)CC(C)(C)CCC#N)no1 92255167 UGFOEXWIZCXKGD-UHFFFAOYSA-N 235.331 2.745 30 20 BFED Cc1cc(C(=O)NCCCCC#N)ccc1F 112633137 SSEJBOBFWLVISM-UHFFFAOYSA-N 234.274 2.558 30 20 BFED C=CCS[C@H](C)C(=O)N1CCCCCC1 114757342 BYZWOPVVANJJBC-LLVKDONJSA-N 227.373 2.697 30 20 BFED C=CC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 116927112 NLNLMZZNZDDYIM-SNVBAGLBSA-N 220.272 2.649 30 20 BFED C=C(C)CNC(=O)CCc1ccc(CC)cc1 123052261 QRNFNRFACKXOFY-UHFFFAOYSA-N 231.339 2.874 30 20 BFED CC(C)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 124451909 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20 BFED C=CCN(C[C@H]1CC[C@@H](C)O1)C(C)(C)C 661760351 RXZZXAXJBAFXRB-VXGBXAGGSA-N 211.349 2.840 30 20 BFED C=CC(C)(C)C(=O)N1CC[C@H](C2CCC2)C1 665684807 CKDJBWJGWYCOLQ-LBPRGKRZSA-N 221.344 2.847 30 20 BFED C=C[C@@H](C)NC(=O)c1ccc(OC)cc1Cl 674955793 HYANUWYFERDVTD-MRVPVSSYSA-N 239.702 2.653 30 20 BFED C=CC[C@H](CO)CN[C@H](C)c1ccc(C)nc1C 678774707 CLRWZYWXEQRFJT-OCCSQVGLSA-N 248.370 2.534 30 20 BFED C=C(C)CNC(=O)N[C@H]1CCc2ccc(C)cc21 681789088 LHXBARKQLZSQJD-AWEZNQCLSA-N 244.338 2.858 30 20 BFED C[C@@H](CC(C)(C)C#N)NCCc1ccoc1 692790414 UABYIIJRHUMCHL-NSHDSACASA-N 220.316 2.740 30 20 BFED CC(C)COCCCN[C@H](C)CC(C)(C)C#N 695841571 IJIWZJDBYYFCNF-CYBMUJFWSA-N 240.391 2.967 30 20 BFED CCc1nnc(Sc2ccncc2C#N)s1 699391630 LDKBFLJJGREDRP-UHFFFAOYSA-N 248.336 2.518 30 20 BFED C=CCCC(=O)N=c1sc2ccccc2n1C 726496857 NKGMLQNASNELHV-UHFFFAOYSA-N 246.335 2.633 30 20 BFED C=CCCC(=O)OCC(=O)C1CCCCC1 726655737 UGWMMQVNPVDDLO-UHFFFAOYSA-N 224.300 2.645 30 20 BFED C#CCN(CC#CC)C(=O)/C=C/C1CCCCC1 742003165 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CC(=NNc1ncc(F)cn1)c1cccc(C)c1 760254011 LFAWIUGKRDXHJZ-UHFFFAOYSA-N 244.273 2.760 30 20 BFED CC#CCCOC(=O)CO[C@H]1CCC[C@@H](C)C1 760283205 IXKWENXQXLVKIF-OLZOCXBDSA-N 238.327 2.538 30 20 BFED C#CCOCCc1nc([C@@H]2CCC[C@@H](C)C2)no1 761791697 JIULIUFZPFOJFA-VXGBXAGGSA-N 248.326 2.556 30 20 BFED C#CCOc1cccc(OC[C@H]2CCCOC2)c1 769879881 ZLJNDIAYAVSOSV-ZDUSSCGKSA-N 246.306 2.504 30 20 BFED C#C[C@H](C)N(C)Cc1ncccc1C(F)(F)F 769962740 JPZZANBTPWYAIH-VIFPVBQESA-N 242.244 2.554 30 20 BFED C=CCCCCNC(=O)C[C@@H](C)C1CC1 770083705 YKQRTTAEASZVRA-LLVKDONJSA-N 209.333 2.895 30 20 BFED C=C(C)CON=Cc1cccc([N+](=O)[O-])c1 771647178 NTZKZIPILOCFBR-UHFFFAOYSA-N 220.228 2.521 30 20 BFED CCN1CCC(=NOC2CCCC2)[C@@H](C)C1 774606770 GNEXUBRWQOLVJA-NSHDSACASA-N 224.348 2.663 30 20 BFED C#C[C@H](N[C@@H]1CCC[C@@H](C2CC2)C1)[C@H]1CCCO1 775573666 IPPSNISDQRTUBA-LVQVYYBASA-N 247.382 2.726 30 20 BFED COC[C@@H](C)NN=C1CCCc2ccc(C)cc21 777893573 TXETUJYMGIWNAC-GFCCVEGCSA-N 246.354 2.660 30 20 BFED C#CCCCCCC(=O)O[C@@H](C)CCOC 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BFED CC(C)Nc1cccc(F)c1NC(=O)[C@@H](C)C#N 826667053 JZPUENKYWSUQGS-VIFPVBQESA-N 249.289 2.744 30 20 BFED CC[C@]1(C)CCN(C(=O)C#Cc2cccs2)C1 827048230 JMEGZAKBPKZSMH-CQSZACIVSA-N 247.363 2.748 30 20 BFED CCCCCCCCCN(C)Cc1cnn[nH]1 827484526 ZKVAUNZRYNBCMH-UHFFFAOYSA-N 238.379 2.987 30 20 BFED C#Cc1cnc(N[C@H](C)C2CCCCC2)nc1 827673956 BHXYXPXTUXTVFI-LLVKDONJSA-N 229.327 2.839 30 20 BFED CC(C)C#CC(=O)N[C@H]1CCC[C@@H](C)CC1 832758991 DWXBLINMNIVHAO-OLZOCXBDSA-N 221.344 2.731 30 20 BFED C=C(CC)CN[C@]1(C)CCCC[C@@H]1C(=O)O 833370001 HRFIFAGLPTYFDC-DGCLKSJQSA-N 225.332 2.576 30 20 BFED C#C[C@@H](CCC)NC(=O)c1ccc(CF)cc1 834363861 NDQFMCDHHXOXAZ-ZDUSSCGKSA-N 233.286 2.688 30 20 BFED CC[C@](C)(C=Nn1cnc2ccccc21)OC 834933340 JRUGGASMBSQWEV-CYBMUJFWSA-N 231.299 2.685 30 20 BFED C[C@H]1CC(=NOC2CCCCC2)[C@@H](C)O1 834971885 ILFIICMBIPQKRX-VHSXEESVSA-N 211.305 2.889 30 20 BFED CC1(C#N)CCC(=NOCC2CC2)CC1 834981926 FTILZYQUWGNAHD-UHFFFAOYSA-N 206.289 2.873 30 20 BFED CC(=NN[C@H](C)C(F)(F)F)c1ccco1 834996489 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2.581 30 20 BFED C=C(Cl)CNC(=O)Nc1ccc(F)cc1 76775456 XEMRTTMFVFDYJV-UHFFFAOYSA-N 228.654 2.700 30 20 BFED C=CCCC(=O)N1CCN(C)c2ccc(F)cc21 81074980 UGAYKACAQMGGKO-UHFFFAOYSA-N 248.301 2.575 30 20 BFED CC[C@](C)(O)CNc1ccc(C#N)cc1Cl 83466590 QPPAVRPBFGGUNK-LBPRGKRZSA-N 238.718 2.785 30 20 BFED CC[C@@H](C#N)OC(=O)[C@H](C)Cc1ccccc1F 84711015 SOQRKYATFZZOID-PWSUYJOCSA-N 249.285 2.850 30 20 BFED C[C@@H](O)[C@@H](C)Sc1snc(Cl)c1C#N 92658796 XGIBEAQWPVIAGH-RFZPGFLSSA-N 248.760 2.530 30 20 BFED CCN(C[C@H](C)C#N)C(=O)C1(CC)CCCC1 94901737 OYIOXVZXCFNVJT-GFCCVEGCSA-N 236.359 2.965 30 20 BFED COc1ccc(N(CC#N)C(C)C)cc1F 101567477 MVNVBJVYSIYOPI-UHFFFAOYSA-N 222.263 2.573 30 20 BFED CCCCCCCCCC(=O)N(C)CCO 103216114 UXQDPAZYMNXRAP-UHFFFAOYSA-N 229.364 2.578 30 20 BFED C[C@@H](CC(=O)N(C)CCC#N)c1cccc(F)c1 116179808 DZHBREPUPLPTRN-NSHDSACASA-N 248.301 2.691 30 20 BFED C=CCCCn1nc(-c2cccs2)oc1=O 117549557 CIQFQXRCQDYVSK-UHFFFAOYSA-N 236.296 2.531 30 20 BFED CCOc1cc(Oc2ccc(C#N)cc2)ncn1 120349312 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BFED C#Cc1cccc(N[C@@H]2CCOC[C@@H]2C)c1 192735475 DYQZNHHLUWSYEI-SMDDNHRTSA-N 215.296 2.505 30 20 BFED Cc1ccc(C#N)c(NCCCCOC(C)C)n1 228563415 SBFXYFJUTSRPBL-UHFFFAOYSA-N 247.342 2.879 30 20 BFED C[C@@H](CC(F)(F)F)Nc1ccc(C#N)nc1 231750063 IDMZQXFFKTZPQC-ZETCQYMHSA-N 229.205 2.706 30 20 BFED N#C[C@H]1CCCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C1 251096091 JDJJLRUNSLODMT-CRWXNKLISA-N 246.354 2.575 30 20 BFED C=CCCC(=O)Nc1nc(C)c(C)s1 263710913 WIRVUWRJYOEAGY-UHFFFAOYSA-N 210.302 2.665 30 20 BFED Cc1cc(C)cc(N/C(N)=N/C[C@H]2C[C@H]2C)c1 264078253 GLQCIJDZLMURJF-VXGBXAGGSA-N 231.343 2.686 30 20 BFED Oc1nc2ccccc2cc1/C=N/C1CCC1 264363259 KENOSNBZFYKWQG-OQLLNIDSSA-N 226.279 2.912 30 20 BFED C#Cc1cccc(NC(=O)C2CCSCC2)c1 264877396 VSZJWEWRKOYQIV-UHFFFAOYSA-N 245.347 2.750 30 20 BFED C#CCCN(C)[C@H](C)c1cc(F)ccc1F 270578467 IDLRLXFLVIIYBB-SNVBAGLBSA-N 223.266 2.981 30 20 BFED C=CCCN(C)C(=O)[C@H](C)c1cccc(F)c1 276331146 DUKCVUXSNOUPRE-LLVKDONJSA-N 235.302 2.964 30 20 BFED N#C[C@H]1CC[C@H](N2CCc3sccc3C2)C1 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238.287 2.560 30 20 BFED Cc1nnccc1N=C(O)[C@@H]1CC[C@H](C)C1 329461726 SNGVVZDHKKOAAP-WCBMZHEXSA-N 219.288 2.809 30 20 BFED CC(C)C[C@@](C)(C#N)NC(=O)c1cccs1 330767018 VYFBAMAUSVVMDG-LBPRGKRZSA-N 236.340 2.806 30 20 BFED C=C(C)CN1CCCN(C2CCCC2)CC1 334140885 ILWDEODTJFRBRG-UHFFFAOYSA-N 222.376 2.513 30 20 BFED N#Cc1cccc(C#N)c1N[C@H]1CC[C@@H](F)C1 334286312 XJYYTWGLBRWHJI-NEPJUHHUSA-N 229.258 2.732 30 20 BFED COc1cccc2c1CCCN2CC1(C#N)CC1 335226589 NFRHBOSDHKGVRW-UHFFFAOYSA-N 242.322 2.752 30 20 BFED CC1(CC(=O)N2CCc3c(C#N)cccc32)CC1 335598164 YMABSWRFCXHQHD-UHFFFAOYSA-N 240.306 2.638 30 20 BFED CC[C@@H]1C[C@@H](C)CN1c1cccc(C#N)n1 335770167 WRPDCLHUWXHVFV-ZYHUDNBSSA-N 215.300 2.578 30 20 BFED N#CCCNC(=O)Nc1cccc2c1CCCC2 336100279 WRLFSPWEGVKMSV-UHFFFAOYSA-N 243.310 2.601 30 20 BFED CC(C)N(C(=O)c1sccc1C#N)C1CC1 336247451 BXTJPDIGAYJXIL-UHFFFAOYSA-N 234.324 2.633 30 20 BFED C=CCCC[C@@H](C)Nc1ncc(F)cn1 336761197 NBJZWEDHCTVIDP-SECBINFHSA-N 209.268 2.772 30 20 BFED C=CC[C@H](C)[C@H](C)NCC1(COC)CCC1 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2.814 30 20 BFED CC[C@H](O)CNc1cccc(C(F)F)c1C#N 583823336 UECKXFSONBNUBX-QMMMGPOBSA-N 240.253 2.679 30 20 BFED N#Cc1cccc(Cl)c1N[C@@H]1CCC[C@H](N)C1 591435569 KHBJSSLPQHJNSD-WDEREUQCSA-N 249.745 2.893 30 20 BFED Cc1[nH]c(C#N)cc1C(=O)N(C)CCC(C)(C)C 592836627 UIHGRFKMQJTPBD-UHFFFAOYSA-N 247.342 2.703 30 20 BFED CC#CCCSCc1conc1CC 594569711 NEUNGBPOFQIFGP-UHFFFAOYSA-N 209.314 2.884 30 20 BFED N#Cc1cccc(NC(=O)NCC2=CCCC2)c1 596483616 GYMWTVKIQNBKOE-UHFFFAOYSA-N 241.294 2.790 30 20 BFED CC[C@@H](C)CCCCC(=O)Nc1n[nH]cc1C#N 601638365 HDQAWQQBWGPMDJ-SNVBAGLBSA-N 248.330 2.826 30 20 BFED CCC[C@@H](C)N(C)C(=O)Nc1ccnc(C#N)c1 603134492 BVRVIQPXDHXGQL-SNVBAGLBSA-N 246.314 2.606 30 20 BFED CCC#C[C@@H](C)SCC(=O)OC(C)(C)C 613645735 RYBGIMZBJMYKMP-SNVBAGLBSA-N 228.357 2.863 30 20 BFED N#C[C@]1(F)CCN(Cc2ccsc2Cl)C1 616734272 QZQCZKRZAAQEOQ-SNVBAGLBSA-N 244.722 2.839 30 20 BFED C=CC[C@H]1CCCN(C(=O)C2CC3(CC3)C2)C1 617778572 JWDKBWRPDJPZDF-LBPRGKRZSA-N 233.355 2.991 30 20 BFED C=CC[C@@H]1CCCN(C(=O)[C@H](CC)OCC)C1 617785435 KEFNYKRRMZSAPP-OLZOCXBDSA-N 239.359 2.616 30 20 BFED C=CCCN[C@@H]1CCN(C(C)=O)c2ccccc21 621765085 RJKHRICKZWDZQZ-CQSZACIVSA-N 244.338 2.650 30 20 BFED CC(=O)c1ccc(NCC2(CC#N)CC2)cc1 642260092 XROMKTQBPRRREL-UHFFFAOYSA-N 228.295 2.995 30 20 BFED CO[C@H]1CCC[C@H]1B1OC(C)(C)C(C)(C)O1 642881955 KKSRVLJWXVABHE-ZJUUUORDSA-N 226.125 2.648 30 20 BFED C=CCCn1cc(CNCC(C)(C)CC=C)nn1 657473191 GCIUWZASSQOWTE-UHFFFAOYSA-N 248.374 2.546 30 20 BFED C=CCCC(C)(C)NCc1cn(C)nc1CC 657804942 HWHAXDWVPBUCAV-UHFFFAOYSA-N 235.375 2.817 30 20 BFED C=CC[C@@H]1CCCN(C[C@@H]2CC[C@@H](C)O2)C1 661386899 WFQFKGSURVGULI-MCIONIFRSA-N 223.360 2.842 30 20 BFED C=CCN(c1nccc2[nH]ccc12)C1CC1 663769837 RRNNPFCSUOYMQQ-UHFFFAOYSA-N 213.284 2.718 30 20 BFED C=CCCOc1cccc2c1OCCCO2 664120484 SJTXBNFXCRXDNX-UHFFFAOYSA-N 220.268 2.803 30 20 BFED C=CCC[C@H](NCC1(N)CCCC1)C1CC1 665248335 VEVKNBAKIGTEAM-ZDUSSCGKSA-N 222.376 2.592 30 20 BFED C=C[C@H](C)NC(=O)Cc1cc2ccccc2o1 674954780 AYIHFCMYAZSUHN-JTQLQIEISA-N 229.279 2.666 30 20 BFED COCC#CCOc1cc(C)cc(C)c1C 678824431 ZMQWPFXWMRNTIW-UHFFFAOYSA-N 218.296 2.640 30 20 BFED C=C(C)CNC(=O)N1CC[C@H]1c1cccc(F)c1 681660806 ZWYUIKJMSRWCMX-ZDUSSCGKSA-N 248.301 2.858 30 20 BFED CC1(C)CN(c2ccc(C#N)nc2)C1(C)C 690301415 RDVYEUVMGUPNGO-UHFFFAOYSA-N 215.300 2.578 30 20 BFED C#CC(=O)NC1CCC(C(C)(C)CC)CC1 692915800 XZBKBYBRRYZZER-UHFFFAOYSA-N 221.344 2.731 30 20 BFED C#C[C@@H](NC(=O)[C@H]1CCC(F)(F)C1)C(C)(C)C 702251557 XQYAIIWTKVUSFF-VHSXEESVSA-N 243.297 2.586 30 20 BFED C#CCCCCN[C@@H]1CCC[C@H](OCC)C1 721170603 XLTXZWPIHBPERK-KGLIPLIRSA-N 223.360 2.727 30 20 BFED C=CCNC(=S)N[C@@H](CC)Cc1ccccc1 727786298 VRGONUXVKRCSHA-ZDUSSCGKSA-N 248.395 2.658 30 20 BFED Cc1ccc(NN=C2CCC(C)CC2)nn1 729936782 XYWAUAJLPXVMBE-UHFFFAOYSA-N 218.304 2.763 30 20 BFED N#Cc1ccc(C(=O)OCCC2CCCC2)nc1 730924927 HOTBSPUQCXMRJC-UHFFFAOYSA-N 244.294 2.690 30 20 BFED C=CC1CCN(C(=O)C=C2CCCC2)CC1 732003462 ZXIZPHNDHVDQGJ-UHFFFAOYSA-N 219.328 2.911 30 20 BFED CC(C)(C(=O)OCC#N)c1cccc(Cl)c1 736914610 BPLLOPBAUCQIJD-UHFFFAOYSA-N 237.686 2.684 30 20 BFED CC(C)CO[C@H]1CC(=NNCC(F)F)C1(C)C 740617608 CANZNBVPEJRYDM-JTQLQIEISA-N 248.317 2.668 30 20 BFED CCO[C@@H]1CC(=NNC2CCCC2)C12CCC2 741164739 YGQZQAGHGBLLAN-CYBMUJFWSA-N 236.359 2.854 30 20 BFED CC(=NOCc1ccccc1)[C@@H]1CCOC1 741762085 FWJGCTRCJKJIEX-CYBMUJFWSA-N 219.284 2.616 30 20 BFED CO[C@@]1(C)CC(=NNCc2ccccc2)C1(C)C 746557206 USFGKCQYKGZCKA-HNNXBMFYSA-N 246.354 2.967 30 20 BFED C=CCCC(=NNc1nc(C)cc(O)n1)C1CC1 747736167 NGPDWFNIAIYHES-UHFFFAOYSA-N 246.314 2.635 30 20 BFED C#CCCCc1nc(-c2c(C)nsc2C)no1 752874424 JRJBZERKBOMLEX-UHFFFAOYSA-N 247.323 2.766 30 20 BFED CC(CC1CCOCC1)=NNC1CCCC1 757575716 PVBLRWAZBBCACM-UHFFFAOYSA-N 224.348 2.711 30 20 BFED Cc1cc(C=NNC2CC2)cc2cccnc12 758128719 CJTNXGGDXDPNHH-UHFFFAOYSA-N 225.295 2.629 30 20 BFED Clc1ccc2c(c1)CCC2=NNC1CC1 758132268 CUHKTMLZFQVFTO-UHFFFAOYSA-N 220.703 2.742 30 20 BFED CC#CCCOC(=O)c1cc(C)c(C)s1 760282945 GHZATVMEWPFXEE-UHFFFAOYSA-N 222.309 2.935 30 20 BFED C#CCCc1noc(-c2cncc3ccccc23)n1 762016275 KQIBAFCJBAGILF-UHFFFAOYSA-N 249.273 2.851 30 20 BFED C=C(CN(C)C)C(=O)Nc1ccc(CCC)cc1 763939860 CJFNNPARANHREY-UHFFFAOYSA-N 246.354 2.695 30 20 BFED C#CCC(C)(C)C(=O)NCCCc1cccs1 767103368 QHKRAKNDPLGHBR-UHFFFAOYSA-N 249.379 2.846 30 20 BFED CC/C=C/CCOC(=O)C1(C#N)CC(C)C1 767577503 LMZGAPVYDULGDC-SNAWJCMRSA-N 221.300 2.826 30 20 BFED C=C(CC)COC(=O)C1=Cc2ccccc2OC1 773475769 BJRMKFDDZOAZEQ-UHFFFAOYSA-N 244.290 2.972 30 20 BFED c1ccc2c(c1)CCC(=NOC1CCOCC1)C2 774473541 WMEMGLVEDFKULT-UHFFFAOYSA-N 245.322 2.727 30 20 BFED C[C@@H]1CC(=NOC2CCCC2)CN1C1CC1 774596807 LRWTWFJTVSRPDV-SNVBAGLBSA-N 222.332 2.558 30 20 BFED Cc1ccc(O)c(C=NOC2CCCC2)c1 774605934 CXHLHTFELIBNHU-UHFFFAOYSA-N 219.284 2.994 30 20 BFED CC(C)(C)C(=O)OCc1cccc(C#N)c1F 774920376 AFWUDJKGMYYHGP-UHFFFAOYSA-N 235.258 2.787 30 20 BFED C#CCN(CC)CC(C)(C)c1ccccc1 775661088 IYKIWRBTBCQECJ-UHFFFAOYSA-N 215.340 2.919 30 20 BFED CCCC(=O)O[C@H](C#N)C1CCCCC1 776360761 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CC(C)[C@H]1CCCC(=NN2CCOCC2)C1 794458914 FPKPYOYCOOUDDM-LBPRGKRZSA-N 224.348 2.521 30 20 BFED CC[C@@H]1CCCC[C@@H]1C(=O)O[C@@H](C)C#N 796322536 CTBKLOZDYDQFEW-AXFHLTTASA-N 209.289 2.658 30 20 BFED C=CCC(C)(C)C(=O)OCc1cc(C)on1 796474440 QQZDYRLNEXWLPW-UHFFFAOYSA-N 223.272 2.629 30 20 BFED Cc1ccc([C@H](C)C(=O)NCC2(CC#N)CC2)o1 797563654 VEPUQMCGMUIDHQ-NSHDSACASA-N 246.310 2.502 30 20 BFED Cc1ccc(C(=O)NC(C)(C)C2CC2)cc1C#N 799342324 GWRRBNIHCYQWML-UHFFFAOYSA-N 242.322 2.785 30 20 BFED C#C[C@H](NC(=O)N(C)CCC(C)C)C(C)(C)C 808313427 TXYWZTKPRHMNTA-LBPRGKRZSA-N 238.375 2.722 30 20 BFED Cc1ccc(CCOC(=O)CCCC#N)cc1 812616002 QWMTXALDRAWTRO-UHFFFAOYSA-N 231.295 2.775 30 20 BFED C1CC([C@H]2CCC2=NNC[C@H]2CCSC2)C1 814935130 IAISCFILYUAEBK-ZYHUDNBSSA-N 238.400 2.895 30 20 BFED Cc1c(F)cccc1C(=O)O[C@H](C#N)C(C)C 817715342 QNRVSZMJCDKIRT-GFCCVEGCSA-N 235.258 2.839 30 20 BFED CC(C)n1cncc1C=NNC1CCCCC1 819809370 GBPOJQSKSAVGTA-UHFFFAOYSA-N 234.347 2.720 30 20 BFED C=CCC[C@H](CO)N[C@H](C)CSC(C)(C)C 825168580 KBYJOHBSADHXQE-VXGBXAGGSA-N 245.432 2.823 30 20 BFED C#Cc1cnc(N(C)[C@H]2CCc3ccccc32)nc1 827349174 HPOBOJUOHDAFCP-HNNXBMFYSA-N 249.317 2.582 30 20 BFED C#C[C@H](C)N(C)C(=O)c1cccc(C(C)C)c1 834552857 XMXJHJBBTYKKFI-LBPRGKRZSA-N 229.323 2.904 30 20 BFED C[C@H]1C[C@H](C)CCC1=NN[C@@H]1CCOC1(C)C 835015474 DJIZLSUOHNTKJV-NTZNESFSSA-N 238.375 2.956 30 20 BFED CC[C@H]1CCC[C@@H]1C(=O)OC(C)(C)C#N 835225764 OAODDFHHMYIKLL-UWVGGRQHSA-N 209.289 2.658 30 20 BFED C=CCCC[C@H](C)OC(=O)/C=C\[C@H]1CCOC1 835268654 IGRFXHAODCKHOY-YHQHFJRFSA-N 238.327 2.867 30 20 BFED CC[C@H]1CCC[C@@H]1C(=O)OCC1(C#N)CC1 835414481 FPZAUTKDUJSBCI-QWRGUYRKSA-N 221.300 2.660 30 20 BFED C#C[C@H](NC(=O)N(CC)C[C@@H](C)CC)C(C)C 838596451 ZTTXCEWNLITSII-STQMWFEESA-N 238.375 2.722 30 20 BFED C#CCCCC(=O)NC[C@H](CC)CC(F)(F)F 839841963 DLFANASYNXYYRU-SNVBAGLBSA-N 249.276 2.885 30 20 BFED C=CCC[C@H](C)NCc1ccc(CCN)cc1 841032898 HFVXAZASLNEXEB-ZDUSSCGKSA-N 232.371 2.632 30 20 BFED CC#CCCCC(=O)OCCc1ccncc1C 842397084 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239.340 2.547 30 20 BFED C=CCSCCNC(=O)[C@@H](C)CCCC 283615633 UUGYOSDEMACFAL-NSHDSACASA-N 229.389 2.848 30 20 BFED C=CC[C@H](C)NCc1cn2cc(C)ccc2n1 283991206 OTBBARVAUCGHBF-LBPRGKRZSA-N 229.327 2.697 30 20 BFED CC1(NC(=O)c2ccc(F)c(C#N)c2)CCCC1 284560496 FRHOOKOHCCXBHB-UHFFFAOYSA-N 246.285 2.760 30 20 BFED C=CCCCCNCc1cnc([C@@H](C)O)s1 289556994 GOQKEVHJCSVINB-SNVBAGLBSA-N 240.372 2.642 30 20 BFED C#Cc1ccc(CN(CC)CC(F)F)cc1 290312133 IUDSVYMVJBSKOS-UHFFFAOYSA-N 223.266 2.755 30 20 BFED N#Cc1ncccc1NC[C@H]1CCC(F)(F)C1 290926631 JBCXODYCEUEZRK-VIFPVBQESA-N 237.253 2.801 30 20 BFED Cc1cccc(OC(=O)CCCC#N)c1C 291117388 LBUVPFKCNZXCGC-UHFFFAOYSA-N 217.268 2.903 30 20 BFED CC[C@H](C)CONc1ccc(C#N)cc1[N+](=O)[O-] 291762812 GTGLQEDLCFHYDZ-VIFPVBQESA-N 249.270 2.856 30 20 BFED CCC(CC)N(CC)C(=O)c1ccc(C#N)[nH]1 292167805 NXXKPJQXZWQDPM-UHFFFAOYSA-N 233.315 2.537 30 20 BFED C=CC(C)(C)C(=O)Nc1ccc(CN(C)C)cc1 294497610 PXBTUWREANKPLV-UHFFFAOYSA-N 246.354 2.899 30 20 BFED CC#CCN(C)C(=O)Cc1c(C)cc(C)cc1C 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2.525 30 20 BFED C=C(CC)CN1CCCC[C@H]1COCC 459728964 ZUMJGTDAXZDUJC-ZDUSSCGKSA-N 211.349 2.844 30 20 BFED C=CCCCS(=O)(=O)N(CCC)CC(C)C 489190143 MBGYSJXBBPCRRL-UHFFFAOYSA-N 247.404 2.650 30 20 BFED C#C[C@H](C)N(C)CC#Cc1cccc(Cl)c1 491371055 CFZXCEVPIKXNRX-LBPRGKRZSA-N 231.726 2.645 30 20 BFED C#C[C@H](CCC)NC(=O)c1ccc(C)cc1OC 491741416 ZGBZTJFTXOGRTF-GFCCVEGCSA-N 245.322 2.535 30 20 BFED Cc1nc(SCc2ccc(C#N)cn2)oc1C 519833459 NTBRGCABRXEMQC-UHFFFAOYSA-N 245.307 2.850 30 20 BFED C=C(C)CCN1CCc2nc(C3CC3)ncc2C1 528739608 MWBJRLQQIYEWCP-UHFFFAOYSA-N 243.354 2.678 30 20 BFED C=CC(C)(C)CNC(=O)C1CC2(CCC2)C1 563812235 ZSFKXHCZOGMUQV-UHFFFAOYSA-N 221.344 2.895 30 20 BFED N#Cc1ccnc(NC[C@H]2CCC[C@H]2C2CC2)n1 565761987 XIPIKIVISLQYCF-YPMHNXCESA-N 242.326 2.586 30 20 BFED C=C(C)CN(CC)[C@H](C(=O)O)c1ccsc1 570051655 UDLBDRAOVCGQRY-NSHDSACASA-N 239.340 2.772 30 20 BFED CCCCc1nc(CN2CC(C)(C#N)C2)cs1 570907445 YPPNSKSEXMHRAP-UHFFFAOYSA-N 249.383 2.831 30 20 BFED C=CCCCCN1CC[C@@](C(=O)O)(C(C)C)C1 574995904 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CC1(C)CCCC(=NNc2cncnc2)C1 794973568 VRUZBGYMLRVSFE-UHFFFAOYSA-N 218.304 2.845 30 20 BFED C=CCNN=C(C)c1ccc(OCCC)cc1 794999557 KADYLHYJMCROHW-UHFFFAOYSA-N 232.327 2.975 30 20 BFED C#CCCCOC(=O)C(C)(C)c1c(C)noc1C 797507110 CSPQGDZQLYKJKX-UHFFFAOYSA-N 249.310 2.526 30 20 BFED C[C@H]1CCC[C@H]1CNC(=O)C#Cc1ccccc1 798686054 NKOQIBBTPDZLFO-ZFWWWQNUSA-N 241.334 2.591 30 20 BFED Cc1ncc(CSCCO[C@@H](C)C#N)s1 802752373 PUZWLPANSIGVPE-QMMMGPOBSA-N 242.369 2.613 30 20 BFED N#Cc1ccc(CCC(=O)OCCCCF)cc1 803266977 GIKYLIIMOIVHHY-UHFFFAOYSA-N 249.285 2.784 30 20 BFED C=CCN(C(=O)N[C@H]1CCC1(C)C)C(C)C 807575151 LZTDPAYYBFZEJH-NSHDSACASA-N 224.348 2.781 30 20 BFED C#CCN1C[C@@H](C)Oc2c(Cl)cccc21 809559775 ADPCWKZFBHVHAO-SECBINFHSA-N 221.687 2.561 30 20 BFED CC[C@@H](C#N)OC(=O)c1ncsc1C(C)C 811264988 IHQQDBFRPINYFY-QMMMGPOBSA-N 238.312 2.725 30 20 BFED COc1ccc(F)cc1C=NOCCSC 812229940 MASFPXLTULCGPD-UHFFFAOYSA-N 243.303 2.548 30 20 BFED Cc1ccc(C=NOC2CCC2)cc1[N+](=O)[O-] 812236216 YVEKUUHHRKTLHI-UHFFFAOYSA-N 234.255 2.806 30 20 BFED Cc1nc2sccn2c1C=NOC1CCC1 812237187 OSKJRBKBBUFJFV-UHFFFAOYSA-N 235.312 2.607 30 20 BFED C[C@H]1CC(=NNc2ccccc2C(=O)O)[C@H]1C 814768658 HOGNEDDXVFEQBM-IUCAKERBSA-N 232.283 2.829 30 20 BFED COC[C@@H](C)NN=C1CC[C@@H](c2ccccc2)C1 814895676 RCWJAXDEHQXFOO-TZMCWYRMSA-N 246.354 2.935 30 20 BFED c1ccc(C2CC(=NOC[C@@H]3CCOC3)C2)cc1 814911758 CHKWTXANRSAVGK-PUODRLBUSA-N 245.322 2.973 30 20 BFED N#C[C@H]1CCCC(=NOC/C=C/Cl)C1 814934267 QIRYGBUNPJTQKU-MSDBESPDSA-N 212.680 2.825 30 20 BFED C=C[C@@H](CC)CC(=O)NOC[C@H](C)CC 820279521 OTMNZFKOLHWNHA-MNOVXSKESA-N 213.321 2.683 30 20 BFED N#CC1CCN(CC[C@@H]2CC2(Cl)Cl)CC1 822592781 JDNSAQQASOHJIK-SNVBAGLBSA-N 247.169 2.806 30 20 BFED C=CC1CCN(Cc2cc(F)ncc2F)CC1 823447236 FHGKOERXXMLZFU-UHFFFAOYSA-N 238.281 2.758 30 20 BFED C[C@@H](CCC#N)N(C)C[C@](C)(O)c1ccccc1 823605572 LTALYFILAJJANT-ZFWWWQNUSA-N 246.354 2.518 30 20 BFED CC(C(=O)NC1(C#N)CCCCC1)=C1CCC1 825549941 WVVAMADWLIPGLV-UHFFFAOYSA-N 232.327 2.829 30 20 BFED 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SYBHTFKIWJTKDM-GFCCVEGCSA-N 248.326 2.643 30 20 BFED C[C@@H]1CCCC[C@H]1COC(=O)CSCC#N 849680129 FFMIXKDMOWHLLP-MNOVXSKESA-N 241.356 2.613 30 20 BFED C=C[C@@H](OC(=O)COC(F)F)c1ccccc1 851451949 NQPVWQBYSHHUHJ-SNVBAGLBSA-N 242.221 2.696 30 20 BFED C#C[C@@](C)(CC)NCCCCCn1cc(C)cn1 852100156 UPRRGPIWUQCWKY-HNNXBMFYSA-N 247.386 2.753 30 20 BFED C#C[C@](C)(CC)NCc1cccc2nsnc12 852102371 LVUPBGOMGIZYIQ-CYBMUJFWSA-N 245.351 2.583 30 20 BFED CC(=O)c1ccc(NC(=O)C#CC(C)C)cc1C 854510644 FMZNWLNAJDPLAN-UHFFFAOYSA-N 243.306 2.796 30 20 BFED C#C[C@](C)(CC)NC(=O)[C@@H](C)c1ccccc1F 854698107 RMGWNEYZPPCYTI-XHDPSFHLSA-N 247.313 2.847 30 20 BFED C#CCCOC(=O)N(C)[C@@H](C)c1ccccc1F 858908717 AQYGMHCPMHCCJW-NSHDSACASA-N 249.285 2.978 30 20 BFED C=C[C@@H](C)NC(=O)/C=C/c1cccc(OCC)c1 859998868 ANWABIBPSYAIFF-BZYZDCJZSA-N 245.322 2.789 30 20 BFED C#CC[C@H](OC(=O)[C@H](CCC)OCC)C(C)C 860581918 WGYLCCWOWWVVCR-STQMWFEESA-N 240.343 2.783 30 20 BFED CCC(C#N)(CC)C(=O)OC1CC(C)C1 860782672 UWEWDUAOTMJXAY-UHFFFAOYSA-N 209.289 2.658 30 20 BFED Cc1ccc([C@H](C)C=NNC2CCOCC2)cc1 863099211 CMAOEEYMPCASCJ-CYBMUJFWSA-N 246.354 2.853 30 20 BFED Cc1cc(=NN=C2CCC23CCC3)cc[nH]1 863159140 FJKOYKNMQAVHFR-UHFFFAOYSA-N 215.300 2.544 30 20 BFED C=C(Cl)CN[C@H]1CCCc2ncccc21 866300950 XFZQERZQOPYZOP-LBPRGKRZSA-N 222.719 2.801 30 20 BFED C=C[C@@H](C)OC(=O)c1coc(SC)c1 870302160 OPPSQFQIXFTIRL-SSDOTTSWSA-N 212.270 2.733 30 20 BFED C#CC(=O)NCC1(c2cccc(Cl)c2)CCC1 871570176 IVYBSSBTLDGSJP-UHFFFAOYSA-N 247.725 2.511 30 20 BFED CCC(C#N)(CC)C(=O)Nc1ccc(N)c(C)c1 876803331 FADCNCZFUNZCLS-UHFFFAOYSA-N 245.326 2.846 30 20 BFED C=CC(C)(C)CC(=O)N(C)Cc1ccncc1 878077423 ARHGNOLUPBEKFU-UHFFFAOYSA-N 232.327 2.642 30 20 BFED C=CC(C)(C)CC(=O)NC[C@H]1CC1(C)C 878827991 RUNYZZQDTKDBKY-SNVBAGLBSA-N 209.333 2.751 30 20 BFED C#CCCCNC(=O)Nc1ccsc1C 880400282 FYGHUEOZZHKVLT-UHFFFAOYSA-N 222.313 2.591 30 20 BFED C=CCCCCNc1cc(C)nc2nc(C)nn12 882197135 GYLHHXGCLOLUAV-UHFFFAOYSA-N 245.330 2.509 30 20 BFED Cc1ccc(N2CCC[C@H](C3CC3)C2)c(C#N)n1 882379138 REJZYFZCSAWUFM-ZDUSSCGKSA-N 241.338 2.888 30 20 BFED CC[C@H](C)C(=O)Nc1cc(C#N)ccc1F 891447970 DOJOBPQZRPYGGT-QMMMGPOBSA-N 220.247 2.682 30 20 BFED C=CC(C)(C)Cc1nc([C@@H]2C[C@H]2C)no1 896124071 QLURUKLKFFHTPZ-RKDXNWHRSA-N 206.289 2.948 30 20 BFED C#Cc1ccc(N[C@H]2COC(C)(C)C2)cc1 898498433 JDCRCDSVXLHPBL-CYBMUJFWSA-N 215.296 2.647 30 20 BFED C[C@@H]1Cc2cc(C=NOCC(F)F)ccc2O1 901216950 ICBPJFMSXMNPJX-MRVPVSSYSA-N 241.237 2.626 30 20 BFED CCC[C@@H](C)N(C)C(=O)c1ccsc1C#N 902563839 VHBLDYLOKHQGOY-SECBINFHSA-N 236.340 2.880 30 20 BFED C[C@H](C#N)OCCOc1ccc2cnccc2c1 902639448 XVJICLRPGBCYAW-LLVKDONJSA-N 242.278 2.542 30 20 BFED C=C[C@@H](CC)CC(=O)OCCSCC 909526199 WFCHCVUKOPIJHB-JTQLQIEISA-N 216.346 2.885 30 20 BFED C=CCCNC(=O)CCCC(=O)c1ccccc1 912379973 YYHKNYOPHABMBC-UHFFFAOYSA-N 245.322 2.732 30 20 BFED C=CCN(C(=S)NCCCC)C(C)C 917589268 OIHHPFSCPYKHLW-UHFFFAOYSA-N 214.378 2.557 30 20 BFED COc1cccc(/C=N\C[C@@H](C)C2CC2)c1O 920177809 LACJYCBGUNLBON-XBDQXEDDSA-N 233.311 2.866 30 20 BFED CC[C@@H]1C[C@H]1COC(=O)C1(C#N)CC(C)C1 922535309 ZISFAIXEHFKVNL-ZUXSNHBTSA-N 221.300 2.516 30 20 BFED CC#CC(=O)N1CCC[C@@H]1[C@H](C)c1ccccc1 928384614 LDWMEAYQWTVPBV-UKRRQHHQSA-N 241.334 2.804 30 20 BFED Cc1ccccc1[C@@H](C)C(=O)N[C@@H](C#N)C(C)C 932382605 VMTCZXWXTPNDRP-OCCSQVGLSA-N 244.338 2.763 30 20 BFED C=C[C@@H](COC)NCc1cc2c(C)cccc2[nH]1 1261599721 HNXIBDQDUNDZAW-LBPRGKRZSA-N 244.338 2.767 30 20 BFED CCN(C(=O)c1ccc(CF)cc1)[C@H](C)C#N 1261755503 HGWBWJCTLMEVJC-SNVBAGLBSA-N 234.274 2.530 30 20 BFED C=CCN(C(=O)c1occ(C)c1C)C1CC1 1323017600 KMAVKXDKJJCJMY-UHFFFAOYSA-N 219.284 2.687 30 20 BFED C#CC[C@H](NC(=O)NC1(C)CC1)c1ccccc1 1324467046 MYSBYRCKXDIPLL-ZDUSSCGKSA-N 242.322 2.603 30 20 BFED CO[C@@H](C=NOC(C)(C)C)C1CCCC1 1328539753 WJAICLQQHBLRSV-NSHDSACASA-N 213.321 2.993 30 20 BFED C=CCOCCNCc1cccc2ccoc12 1329386873 SWPNYLYZVNNWPK-UHFFFAOYSA-N 231.295 2.725 30 20 BFED C/C(=C\C(=O)OCC1(CC#N)CC1)c1ccco1 1333240282 JJURSXGPHBVAPO-PKNBQFBNSA-N 245.278 2.920 30 20 BFED C#Cc1ccc(NC(=O)C(C)(C)C(F)F)cc1 1334846600 NZJXQJYPDRSPJP-UHFFFAOYSA-N 237.249 2.898 30 20 BFED C=CCC[C@H]1CCCN1C(=O)c1cncs1 1336215083 AYDPNDUEXOZMQL-JTQLQIEISA-N 236.340 2.714 30 20 BFED C=CCC[C@H]1CCCN1C(=O)C#CC(C)C 1336218335 QBUQANCIPRMNNE-ZDUSSCGKSA-N 219.328 2.603 30 20 BFED C#Cc1ccc(N[C@@H]2CCC[C@H]2C)nc1 1336513926 LYRCUVVZFJKRBR-ZYHUDNBSSA-N 200.285 2.663 30 20 BFED C=C[C@@H](CC)CC(=O)N=c1c(C)c[nH]cc1C 1338243496 PHGRVRLRTMXHSA-LBPRGKRZSA-N 232.327 2.661 30 20 BFED C[C@@H](OC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21)C(C)(C)C#N 1345132261 LSONPQLVSMQISU-PQCBQTOFSA-N 247.338 2.760 30 20 BFED C=C(CC)C(=O)NC[C@@H]1CCC[C@H]1C1CC1 1349940581 FURNUKSKUKODIR-STQMWFEESA-N 221.344 2.895 30 20 BFED C=C(CC)C(=O)N1CCC[C@H](OC2CCC2)C1 1520323390 GQXMAAATCTYODT-ZDUSSCGKSA-N 237.343 2.513 30 20 BFED C=CC(C)(C)COC(=O)c1ncc(C)cc1OC 1525403959 TTXQWIGRTMDALO-UHFFFAOYSA-N 249.310 2.768 30 20 BFED C=CC[C@H](C(=O)O)N(CC)Cc1ccccc1 1602836015 ZDWICABECQLVTF-CYBMUJFWSA-N 233.311 2.538 30 20 BFED CC[C@H]1CCN(c2cc(C)c(C#N)cn2)[C@@H]1C 1612278538 FVSDOOFZVHPWNH-NEPJUHHUSA-N 229.327 2.887 30 20 BFED C=C[C@@H]1CCCN([C@@H](CCCC)C(=O)O)C1 1776150509 TXAAJJSMQZCZFF-NEPJUHHUSA-N 225.332 2.528 30 20 BFED C=CCCC[C@H](NCc1cccc(C)c1)C(=O)O 1776172348 GYTHLCKUEYONEM-AWEZNQCLSA-N 247.338 2.894 30 20 BFED COc1ccc(CC[C@H](C)NCCC#N)cc1 37240178 JABJAUBZQVJGSZ-LBPRGKRZSA-N 232.327 2.520 30 20 BFED Cc1cc(C#N)ccc1N1CCC[C@@H]1C 37912135 JNVLDNFFXFBGJD-NSHDSACASA-N 200.285 2.855 30 20 BFED C[C@@H](CC#N)NC(=O)Nc1ccccc1Cl 50337020 YXCHZMUAUYIQAO-QMMMGPOBSA-N 237.690 2.764 30 20 BFED C[C@@H]1CCCC[C@@H]1NC(=O)c1sccc1C#N 52028096 PKIMERIDGNOGGG-KOLCDFICSA-N 248.351 2.928 30 20 BFED CCC1(CC)CO[C@@H](c2ccc(C#N)cc2)CN1 53068755 WEZOBHSNQSEDPS-CQSZACIVSA-N 244.338 2.778 30 20 BFED N#CCN(C(=O)c1cccs1)C1CCCC1 57523973 KDHOKUMFJWMZQI-UHFFFAOYSA-N 234.324 2.656 30 20 BFED N#CCCSc1ccc2c(c1)OCCCO2 58012890 GDSOATWIWYLWFC-UHFFFAOYSA-N 235.308 2.854 30 20 BFED C#CCNC(=O)CCCCCc1cccs1 67133675 SQYHHXRNLDZDDU-UHFFFAOYSA-N 235.352 2.600 30 20 BFED C#CCCOC(=O)[C@@H]1C[C@H]1c1ccccc1C 77941563 SCLHKHVXFOQUPK-UONOGXRCSA-N 228.291 2.665 30 20 BFED CC[C@H](C#N)C(=O)N1CCC[C@H](C(C)C)CC1 79343129 LHJNYLGQUOIUSZ-OLZOCXBDSA-N 236.359 2.821 30 20 BFED CCCN(CC)CCNc1cccc(F)c1C#N 80677981 LLWNRCFKPMHNJF-UHFFFAOYSA-N 249.333 2.841 30 20 BFED Cc1cnccc1C(=O)Nc1cccc(C#N)c1 82338606 CHVLRGPONQPRFA-UHFFFAOYSA-N 237.262 2.514 30 20 BFED CC(C)(C#N)CCCS(=O)(=O)C1CCCC1 87611125 QVNUDHFIJLXKEH-UHFFFAOYSA-N 243.372 2.674 30 20 BFED N#CC1(C(=O)N2CCC[C@H]3CCC[C@@H]32)CCCC1 87771185 ULQVIAUONHCEJS-OLZOCXBDSA-N 246.354 2.861 30 20 BFED CN(CCc1cccs1)c1ccnc(C#N)c1 93290921 FCGVHUKFMSHHIW-UHFFFAOYSA-N 243.335 2.694 30 20 BFED CC(C)CC1(C(=O)NC[C@@H](C)C#N)CCCC1 94817366 ZXFGXUYUZKYGBG-LBPRGKRZSA-N 236.359 2.869 30 20 BFED CCC[C@H](C)CC(=O)N(CC)CCC#N 103210440 BQSKWGYWFCQVSH-NSHDSACASA-N 210.321 2.575 30 20 BFED CCN(Cc1ccoc1)C[C@@H](C#N)CCC#N 112560250 SDQPUVIZSFHDEV-GFCCVEGCSA-N 231.299 2.545 30 20 BFED C[C@H](c1ccc(C#N)cc1)N1CCSCC1 118393427 QRUHCCFRHDHCAV-LLVKDONJSA-N 232.352 2.668 30 20 BFED C=CCN(C)Cc1nc2c(F)cccc2n1CC 121250760 SEIUDGHFPSERQT-UHFFFAOYSA-N 247.317 2.813 30 20 BFED CCSCC[C@@H](C)Nc1cccc(C#N)n1 122790837 CTELHJHIIXTYPH-SNVBAGLBSA-N 235.356 2.897 30 20 BFED C=C(C)COCCNCc1cc(F)cc(F)c1 125663044 VXAKPGXADVGWFV-UHFFFAOYSA-N 241.281 2.647 30 20 BFED CC(C)c1ccc(/C=N/OCCCO)cc1 127380228 BQBBMBCDWAPSTH-GXDHUFHOSA-N 221.300 2.543 30 20 BFED C=CCC[C@@H](O)CN(C)[C@@H](C)CCSCC 132647307 SRAPRCMFTYZAGP-QWHCGFSZSA-N 245.432 2.777 30 20 BFED CC[C@](C)(C#N)C(=O)NCCc1ccccc1C 136274534 XHVBBNWUUMJGNT-OAHLLOKOSA-N 244.338 2.594 30 20 BFED C=CCN(C)C(=O)NCC1(CCC)CCC1 155454828 WFSQCFSLDSKUGC-UHFFFAOYSA-N 224.348 2.784 30 20 BFED C=CCN(CCc1ccccc1)Cc1ccon1 157661011 BVCYJSHIHCXEFO-UHFFFAOYSA-N 242.322 2.905 30 20 BFED CC[C@H](CC#N)NC(=O)Nc1c(C)cccc1F 158688024 AZPWJFGNWVDFLT-SNVBAGLBSA-N 249.289 2.948 30 20 BFED C#CCN(C)C(=O)c1ccc(C(C)(C)C)cc1 164838537 ZVMWRAZIXOREDL-UHFFFAOYSA-N 229.323 2.689 30 20 BFED C#CCN[C@@H](C)c1cccc(OC(F)(F)F)c1 178265186 PFFINIWZICGJFA-VIFPVBQESA-N 243.228 2.869 30 20 BFED C=CCSCCNC(C1CC1)C1CC1 180459133 CYVWKJMJNPQMIX-UHFFFAOYSA-N 211.374 2.684 30 20 BFED C=CCCCSc1nnc(C(F)F)n1C 181255509 LPNRGHVVIKPYRP-UHFFFAOYSA-N 233.287 2.811 30 20 BFED C=CCCCC(=O)NCCCCOC(C)C 183331908 SBLSFJWIUKLZPB-UHFFFAOYSA-N 227.348 2.664 30 20 BFED C=CCCC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 183815148 WVBNKCAYZSUPGN-YNEHKIRRSA-N 221.344 2.990 30 20 BFED C=CCN(CC=C)C(=O)Nc1cc(C)ccn1 184121582 RKLZBJBQRVYDME-UHFFFAOYSA-N 231.299 2.596 30 20 BFED CC[C@H]1[C@H](C)CCN1C(=O)c1cc(C#N)cs1 185371585 ZIENLEJIDKUQKZ-KOLCDFICSA-N 248.351 2.880 30 20 BFED CC#CCCCC(=O)OCc1nc(C)c(C)o1 186143839 FLOZIBBSYRTZKX-UHFFFAOYSA-N 235.283 2.528 30 20 BFED CC(C)[C@@]1(C)C[C@@H]1C(=O)N(CCC#N)CC1CC1 186199257 YMXQHLMZQSVCLB-UKRRQHHQSA-N 248.370 2.821 30 20 BFED C=CCC[C@@H](CC)N[C@H](CO)C/C=C/C 186520436 QEGBUVOKXYBYAW-FMQXYTONSA-N 211.349 2.648 30 20 BFED C=CCCCOc1ccc(C#N)c(OC)c1 194513651 BWQOOZDHZAHYHM-UHFFFAOYSA-N 217.268 2.912 30 20 BFED CSCCN(Cc1ccc(C#N)cc1)C1CC1 194538629 WJVQEBXXAMSUCR-UHFFFAOYSA-N 246.379 2.886 30 20 BFED CCn1cc(C(=O)/C=C\c2cccs2)cn1 210079357 GZDGNVGNBYSMQW-WAYWQWQTSA-N 232.308 2.861 30 20 BFED CS[C@@H]1CC[C@@H](Nc2ccc(C#N)nc2)C1 226803932 XMUOXVUPOKEFSU-BXKDBHETSA-N 233.340 2.649 30 20 BFED C[C@@H]1CCC[C@H]1CNC(=O)c1ccc(C#N)cc1 230683292 MUQFOBXRUCXXDN-RISCZKNCSA-N 242.322 2.724 30 20 BFED CC[C@@H](C)COc1cc(C#N)cc(OC)c1 233843506 BUZPGRFRWRZYEX-SNVBAGLBSA-N 219.284 2.992 30 20 BFED N#CCCCc1nc(C2CCCC2)no1 236175663 UVPSNNMKMNFXEN-UHFFFAOYSA-N 205.261 2.573 30 20 BFED C[C@@H]1CN/C(=N\CC2(C)CCC(C)(C)CC2)N1 263120541 LZPNBWNUMOUTBW-LLVKDONJSA-N 237.391 2.530 30 20 BFED CCN(CCC#N)C(=O)/C=C/c1ccsc1 264013141 GNOZNNIASMODDU-SNAWJCMRSA-N 234.324 2.523 30 20 BFED Cc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)c(C)c1 267248348 NSOZYRWIFYLHON-ZDUSSCGKSA-N 244.338 2.972 30 20 BFED C=C1CCN(Cc2ccc(COC)o2)CC1 271160795 KGXLSRBALDYNFF-UHFFFAOYSA-N 221.300 2.578 30 20 BFED COc1ccc2oc(CNCCCC#N)cc2c1 273089797 SLLINSKDDYWUNV-UHFFFAOYSA-N 244.294 2.835 30 20 BFED CC#CCCCC(=O)N[C@@H](C)CCc1ccco1 274314173 YMXFOTSSQSQSEB-ZDUSSCGKSA-N 247.338 2.911 30 20 BFED C=CCCN(C)C(=O)Nc1cccc(C(C)=O)c1 276238768 BTTNGOCSUPMODS-UHFFFAOYSA-N 246.310 2.929 30 20 BFED CC#CC(=O)N(Cc1ccccc1)CC1CCC1 277606594 HNBJLXCTSHRQRL-UHFFFAOYSA-N 241.334 2.839 30 20 BFED C[C@@H](NC(=O)CC(C)(C)C#N)c1cccc(O)c1 278957968 WJBQMNKHJIFZIX-SNVBAGLBSA-N 246.310 2.509 30 20 BFED CC1(C#N)CN(C(=O)Nc2ccccc2Cl)C1 280942172 IQLGBHMNJYWMGK-UHFFFAOYSA-N 249.701 2.717 30 20 BFED C=CC[C@H](CC)NC(=O)N(CC)C1CC1 281442439 SHCDIQCQRBFEDB-JTQLQIEISA-N 210.321 2.535 30 20 BFED C#C[C@@H](NC(=O)[C@H](C)c1cccc(F)c1)C(C)C 282068901 MVSREEWEVUVEAT-BXUZGUMPSA-N 247.313 2.703 30 20 BFED CCCC[C@@H](C)C(=O)NCC#Cc1ccccc1 282440495 FYOJARXNUBVZAH-CQSZACIVSA-N 243.350 2.981 30 20 BFED CC#CC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 283897998 XILUUMGQWONKQK-TZMCWYRMSA-N 245.297 2.601 30 20 BFED COC1(CNc2cc(C#N)ccn2)CCCCC1 287083094 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Cc1ccc(-c2noc(CCCC#N)n2)nc1C 316697995 PKEQNOCLEXZPKD-UHFFFAOYSA-N 242.282 2.595 30 20 BFED C=CCC[C@H](CO)NC(=O)C(CCC)CCC 321263213 UHVAGXCCHFFFDJ-CYBMUJFWSA-N 241.375 2.646 30 20 BFED N#C[C@@H]1CCC[C@H]1/N=C(/O)c1conc1C1CC1 329572204 MZIBHGVBDMVDQN-GXSJLCMTSA-N 245.282 2.549 30 20 BFED Cc1nc(N2CCC(C)(C#N)CC2)sc1C 334365886 OVHVDLLHMISREW-UHFFFAOYSA-N 235.356 2.890 30 20 BFED C=C[C@H]1CCCCN1C(=O)[C@@H](C)C(C)C 334642036 WAEQQYSLOKWGSM-RYUDHWBXSA-N 209.333 2.846 30 20 BFED CC(C)[C@@H]1N(C(=O)NCCC#N)CC12CCCC2 334703761 PVNUJVUZUYIVJR-LBPRGKRZSA-N 249.358 2.510 30 20 BFED Cc1cc(C#N)cc(NC(=O)N2CCC[C@H]2C)c1 334990803 IDQXISBWTZEYEU-LLVKDONJSA-N 243.310 2.883 30 20 BFED CCN(C(=O)c1ccc(C#N)cc1)C1CCC1 335321907 GWSGLKULBFCIBG-UHFFFAOYSA-N 228.295 2.573 30 20 BFED N#Cc1ccc2nc(N3CC[C@@H](F)C3)ccc2c1 335400880 RYQYSHPMGPBWCT-GFCCVEGCSA-N 241.269 2.655 30 20 BFED Cc1c(Cl)c[nH]c(=NCc2ccco2)c1C#N 335419719 UHGFPAHZEWQHJG-UHFFFAOYSA-N 247.685 2.542 30 20 BFED N#Cc1cccc(NC(=O)NC2(CF)CCC2)c1 335468627 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30 20 BFED Cc1sccc1CN(C)C[C@H](C)C#N 295066760 ALMOZBXDEMXCOR-SECBINFHSA-N 208.330 2.648 30 20 BFED N#Cc1ccc(Oc2ccc(Cl)cc2)nn1 301937912 SGESIPRNRRLKNB-UHFFFAOYSA-N 231.642 2.794 30 20 BFED C=CCCN[C@@H](C)c1cnn(C(C)C)c1 309004152 PBXBFXPOPYDKFA-NSHDSACASA-N 207.321 2.691 30 20 BFED C=C[C@@H](C)N[C@H]1CCc2ccccc2OC1 309605223 YMNSJTDRNDRCDG-YPMHNXCESA-N 217.312 2.544 30 20 BFED C[C@@H](CCC1CC1)Nc1cccc(C#N)n1 309744019 IOARRRRXMCZKRQ-JTQLQIEISA-N 215.300 2.944 30 20 BFED C=CCC[C@H](CO)NCCC1CCCCC1 320293475 QPVLSMLVUVGAHS-CQSZACIVSA-N 225.376 2.874 30 20 BFED Cc1nnccc1N=C(O)[C@H]1CC[C@H](C)C1 329461727 SNGVVZDHKKOAAP-WPRPVWTQSA-N 219.288 2.809 30 20 BFED C[C@@H](SCC1CC1)/C(O)=N/C1(C#N)CCC1 329616810 PYIRJLXGXXAWRF-SECBINFHSA-N 238.356 2.921 30 20 BFED Cc1cnc(N=C(O)N2CC(C)(C)[C@@H]2C2CC2)o1 329795382 WJPZRSQZFULUEA-JTQLQIEISA-N 249.314 2.649 30 20 BFED Cc1cnc(N=C(O)N2CCC[C@@H]2C2CCC2)o1 330026046 LCBUYTYUUPJXOQ-LLVKDONJSA-N 249.314 2.793 30 20 BFED CC(C)[C@H](CO)C/N=C(/O)c1ccoc1Cl 330676421 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C=CCON=C(C)c1nc2c(s1)CCCC2 835013273 OWSTXKNZQHYWIW-UHFFFAOYSA-N 236.340 2.949 30 20 BFED C=CCON=Cc1csc(C(C)(C)C)n1 835016715 YWPVLUATQHMVMX-UHFFFAOYSA-N 224.329 2.977 30 20 BFED C=CCCCC(=O)OCC1CC(F)(F)C1 835489917 SGMKWZMCJXTIPI-UHFFFAOYSA-N 218.243 2.931 30 20 BFED C=C(CC)CNC(=O)c1c(C)noc1C1CC1 837098744 BFEVHCAFYPNFEP-UHFFFAOYSA-N 234.299 2.556 30 20 BFED Cc1cc2cc[nH]c2cc1NC(=O)C#CC1CC1 837564359 LWCYJGZSXYSZHC-UHFFFAOYSA-N 238.290 2.828 30 20 BFED CC(C)=CCCNC(=O)C#CC(C)(C)C 837571573 CHBPQQKJVXXZFE-UHFFFAOYSA-N 207.317 2.508 30 20 BFED C#CCC[C@@H](C)OC(=O)C1(CC)CCC1 839036510 DUECVSDFGJEUIE-LLVKDONJSA-N 208.301 2.912 30 20 BFED CCCC(=NN1CCOCC1)[C@H]1CC1(C)C 841605951 VHCFICJOYNATEV-LLVKDONJSA-N 224.348 2.521 30 20 BFED CCCC(=NOCCOC)[C@H]1CC1(C)C 841628159 ONGNPTJJSBHIPL-SNVBAGLBSA-N 213.321 2.852 30 20 BFED CC1(C)C[C@@H](NN=C2CCC[C@@H]3C[C@H]23)CCO1 841632816 GUYPFTKPMUJEKC-WOPDTQHZSA-N 236.359 2.710 30 20 BFED C#CCCCCCOC(=O)CC1(COC)CC1 842751291 BDTNHIJMSMUIRV-UHFFFAOYSA-N 238.327 2.540 30 20 BFED C=C[C@H](C)ONC(=O)N[C@H](CC)[C@@H]1CC1(C)C 845620687 VPYXZMMWXSILGZ-GARJFASQSA-N 240.347 2.616 30 20 BFED CC(C)c1ccccc1C=NNC1CC1 848408545 RKESQQWBXXWJBR-UHFFFAOYSA-N 202.301 2.896 30 20 BFED C=CCCCCCCCNC(=N)N1CCC1 849029157 ISEOJQQZCHVRMW-UHFFFAOYSA-N 223.364 2.743 30 20 BFED C/N=C(/NCC[C@@H](C)CC(C)(C)C)NC1CC1 849108693 ZYPWBYDLRRKITA-LLVKDONJSA-N 239.407 2.776 30 20 BFED CC[C@H](/N=C\c1cccc(O)c1O)C1CC1 849172147 MYCQKYJEVPGPRZ-KSSSLANASA-N 219.284 2.705 30 20 BFED C#C[C@H](OC(=O)/C=C(\C)c1ccco1)C1CC1 850911353 PQCQNNKIRHOTRR-VMPCVLLUSA-N 230.263 2.638 30 20 BFED C=CC[C@H]1CCCC[C@H]1OC(=O)c1cncnc1 851143405 LNGDLBVSFNAFCH-WCQYABFASA-N 246.310 2.768 30 20 BFED C=CC(C)(C)CCOC(=O)C[C@H](C)OC 851299203 CITMKLQQRXGKGH-JTQLQIEISA-N 214.305 2.557 30 20 BFED C#CCCN(C)c1ccccc1Br 852748152 KPNCPYYJHHHBDE-UHFFFAOYSA-N 238.128 2.909 30 20 BFED Cc1cccnc1C=NN1CCCC[C@@H]1C 853379158 GYWOHWUQADINGS-LBPRGKRZSA-N 217.316 2.598 30 20 BFED C=C(Cl)CO[C@H]1CCCc2c[nH]nc21 853691374 RFIBDTLFDBCGCL-VIFPVBQESA-N 212.680 2.556 30 20 BFED C=CCC1(NC(=O)NOCCC)CCCC1 854203980 TZEKXJXZEUKKEW-UHFFFAOYSA-N 226.320 2.516 30 20 BFED C=CCC1(C(=O)NCc2ocnc2C)CCCC1 854586648 OZAPZALLENFMLW-UHFFFAOYSA-N 248.326 2.736 30 20 BFED C/C(=C/C(=O)N(C)[C@H](C)C#N)c1cccs1 857623616 HSLGSBOMQMQWQC-UJICNMFASA-N 234.324 2.522 30 20 BFED C#CCCOC(=O)N(C)c1ccccc1OCC 859079452 OCOQUUNHGZZEQK-UHFFFAOYSA-N 247.294 2.681 30 20 BFED C#C[C@H](OC(=O)COC(C)C)c1ccc(C)cc1 860963750 CCLAFKHGEKXYKQ-AWEZNQCLSA-N 246.306 2.638 30 20 BFED C=CCCCC(=O)Nc1cccc(F)c1O 863009316 DBVMELQWKBPSEG-UHFFFAOYSA-N 223.247 2.826 30 20 BFED Cc1cc(=NN=CC2CCCCC2)cc[nH]1 863158537 FYSPVJPTBCKUTL-UHFFFAOYSA-N 217.316 2.790 30 20 BFED O=[N+]([O-])c1ccc(NN=C2CCC[C@H]2F)cc1 872324075 KHBYVLCRSXFMDW-SNVBAGLBSA-N 237.234 2.885 30 20 BFED O=C(C#CC1CC1)Nc1cscc1Cl 874811316 IKAZGNPEMDBSIP-UHFFFAOYSA-N 225.700 2.753 30 20 BFED C#C[C@H](C)N(C)Cc1c(C)ccc([N+](=O)[O-])c1C 877480290 QSHYHBATJUIEBF-NSHDSACASA-N 246.310 2.665 30 20 BFED C#CCCCCNC(=O)CC(C)(C)C=C 879143466 HGKZKUMIKVPKSB-UHFFFAOYSA-N 207.317 2.508 30 20 BFED C=C(C)COC(=O)c1cc(C)cnc1Cl 885108105 GDRUNAFCQANGLB-UHFFFAOYSA-N 225.675 2.776 30 20 BFED C#Cc1ccc(NC(=O)[C@H]2CCCSC2)cc1 891313490 PMZHHWQMILUMHM-LBPRGKRZSA-N 245.347 2.750 30 20 BFED C#Cc1ccc(NC(=O)[C@H](CCC)OCC)cc1 891313816 ZIGRVTQQFSYKEW-AWEZNQCLSA-N 245.322 2.812 30 20 BFED C=CC1(OC(=O)Cc2ccsc2)CC1 893365391 LPWOGGSVRSHNDV-UHFFFAOYSA-N 208.282 2.552 30 20 BFED Cc1cc(CN2CCC[C@@H](C#N)C2)ccc1F 896501650 GVGDTCMJJZVGIN-ZDUSSCGKSA-N 232.302 2.870 30 20 BFED COCc1cc(C#N)ccc1NC/C=C/Cl 897503737 RCRGHOYAHNHLKN-GORDUTHDSA-N 236.702 2.869 30 20 BFED C=CCCOCCNCc1cc(C)ccc1NC 902416292 MNNZQIQNSGWYEZ-UHFFFAOYSA-N 248.370 2.719 30 20 BFED CC[C@@H](NCCCC#N)c1cccc(C#N)c1 902951062 MWCPVGUUJONYPC-CQSZACIVSA-N 227.311 2.903 30 20 BFED C[C@@H]1C[C@@H](C)CN(C(=O)c2ccsc2C#N)C1 905042507 FHLKDPQIQCOYLZ-NXEZZACHSA-N 248.351 2.738 30 20 BFED C#Cc1ccc(C(=O)NC2(C)CC=CC2)cc1 912049374 UPFIAMFTRADKNL-UHFFFAOYSA-N 225.291 2.506 30 20 BFED C=CCCONC(=O)C1(C2CCCCC2)CC1 912627453 DUWYCVTWZSHXGZ-UHFFFAOYSA-N 237.343 2.971 30 20 BFED COc1ccc(O)c(/C=N\C[C@@H](C)C2CC2)c1 920177411 GOHVTQFYWCRLGA-XBDQXEDDSA-N 233.311 2.866 30 20 BFED N#CC1(CCCCn2ccnc2)CCC1 929866080 NVPKFVIAUKHVPH-UHFFFAOYSA-N 203.289 2.747 30 20 BFED C=C[C@H](CC)CC(=O)NCCCCCOC 931150583 HDGBAFIPVSZRTB-GFCCVEGCSA-N 227.348 2.522 30 20 BFED C#Cc1ccc(NC(=O)N2CCC(C)CC2)cc1 934937679 OGDFVUBAOYXAOU-UHFFFAOYSA-N 242.322 2.932 30 20 BFED C=C[C@@H](CC)CC(=O)NCCOCC1CCC1 935407293 BQEVFCAYSWEDNB-LBPRGKRZSA-N 239.359 2.522 30 20 BFED C#CCCCNC(=O)N1CC[C@@H]2CCCC[C@H]2C1 1321795975 GRCQRZDKZIGYFO-KBPBESRZSA-N 248.370 2.622 30 20 BFED CCCC[C@H](C)C(=O)OCc1ccc(C#N)cn1 1322644141 HRKVFNQDZBBHEP-NSHDSACASA-N 246.310 2.823 30 20 BFED Cc1cccc2nc(NCC3(C#N)CC3)oc12 1324425513 URZGAGVGGQDQCE-UHFFFAOYSA-N 227.267 2.852 30 20 BFED N#Cc1ccnc(/C=C\c2cccc3nccn23)c1 1325103480 BLSTVIZLTPISHL-PLNGDYQASA-N 246.273 2.771 30 20 BFED C#C[C@H](NC(=O)C1C[C@H]2CCC[C@H](C1)C2)C(C)C 1325130093 MUGDBXFFLYMIIH-YDHLFZDLSA-N 247.382 2.977 30 20 BFED C#Cc1ccc(N2CC[C@@](C)(CC)C2)nc1 1336543969 OHKWVVDMIUWEEN-CQSZACIVSA-N 214.312 2.689 30 20 BFED C=CC[C@@H](CC)NC(=O)c1cnn(CCC)c1C 1337259933 USBRQUIEOXCFDE-GFCCVEGCSA-N 249.358 2.686 30 20 BFED C=C(C)CCC(=O)NCc1cccc(F)c1F 1337328482 JDFUALUEYCDJNS-UHFFFAOYSA-N 239.265 2.937 30 20 BFED C=CCC[C@H]1CCCN1C(=O)Cc1ccco1 1338295859 VKEXOIUFAVPGIR-LBPRGKRZSA-N 233.311 2.779 30 20 BFED CC[C@H](C)NN=Cc1ccc2c(c1)CCC2 1338915023 FTMVKFUYGIAVFO-NSHDSACASA-N 216.328 2.897 30 20 BFED Cc1ccnc(CN2CCc3ccc(C#N)cc32)c1 1338953292 DWDNHSDSZDHKRW-UHFFFAOYSA-N 249.317 2.824 30 20 BFED C=C[C@H](CC)CC(=O)N(CC)[C@@H](C#N)CC 1339066705 XNDGMEQMPAEMFI-VXGBXAGGSA-N 222.332 2.739 30 20 BFED CSc1ccccc1C(C)=NNCC(F)F 1339883370 DNFIHIQSSPYVGU-UHFFFAOYSA-N 244.310 2.987 30 20 BFED C=C(CC)C(=O)N(C)[C@H](C)CCSC 1346468590 SDSATWHFJXJMSM-SNVBAGLBSA-N 215.362 2.553 30 20 BFED C=C1CCC(C(=O)Nc2cc(C)nc(C)n2)CC1 1350274133 JJVUYNYXXNWDLO-UHFFFAOYSA-N 245.326 2.778 30 20 BFED C=CCN(c1nnc([C@H](C)C(C)C)n1C)C1CC1 1355301632 MYXRYOUIERQQTO-LLVKDONJSA-N 248.374 2.729 30 20 BFED Cc1ccnc(Nc2cccc(CC#N)c2)n1 1458378271 IHMHVRIEFSSRPB-UHFFFAOYSA-N 224.267 2.595 30 20 BFED C#CC[C@@H](C)OC(=O)C1=CC[C@@H](C)CC1 1524747761 XVVKQYVUHWCXIC-GHMZBOCLSA-N 206.285 2.688 30 20 BFED COc1ccccc1[C@H](C)OC(=O)C(C)(C)C#N 1584200379 MSTWNPOYVMEUAY-JTQLQIEISA-N 247.294 2.849 30 20 BFED C=C(C)CSC(=S)N(CC)CC 3037901 NWZQNOBXSVYLDR-UHFFFAOYSA-N 203.376 2.922 30 20 BFED CCC(C#N)(CC)C(=O)NCc1ccccc1 34079287 UQXXSXGECPUKCN-UHFFFAOYSA-N 230.311 2.633 30 20 BFED C#CCCCC(=O)OCc1ccccc1 34566088 BPJQSPDHUATQNN-UHFFFAOYSA-N 202.253 2.533 30 20 BFED Cc1ccc(C#N)c(NCc2ccccc2)n1 43395398 OELWDAUKIBSVJC-UHFFFAOYSA-N 223.279 2.874 30 20 BFED CCN(Cc1cccc(F)c1)C[C@@H](C)C#N 48298890 UBBHCKZXQDOYEF-NSHDSACASA-N 220.291 2.807 30 20 BFED C[C@H](CC#N)N(C)C(=O)Nc1ccc(F)cc1 63094781 GFUQYDBQVRPTNH-SECBINFHSA-N 235.262 2.592 30 20 BFED C=CCCOc1cc(C(=O)O)ccc1C 70590950 YSVCZWWNVQOQLI-UHFFFAOYSA-N 206.241 2.648 30 20 BFED C/N=C(/NCCC1=CCCCC1)NCC1CCC1 73448923 DLECRLJUHLLKHH-UHFFFAOYSA-N 249.402 2.842 30 20 BFED N#CCCCC[S@](=O)C1CCCCC1 82789244 HNKRGCDKNSHEQO-CQSZACIVSA-N 213.346 2.762 30 20 BFED Cc1ccc([C@@H](C)NCC2(CC#N)CC2)o1 83853887 VRAKRGGNKIPLDP-LLVKDONJSA-N 218.300 2.933 30 20 BFED CC[C@@H](C#N)OC(=O)COc1ccc(C)c(C)c1 84697580 UITJTBFQSPNKHE-LBPRGKRZSA-N 247.294 2.528 30 20 BFED CCCO/N=C(/N)c1cccc(C(F)(F)F)c1 85260452 JBHJSZCDRUBVHA-UHFFFAOYSA-N 246.232 2.752 30 20 BFED CC[C@@H](C#N)C(=O)N1CCCC(C)(C)CC1 87658046 FFHZZIMRDQHMDS-NSHDSACASA-N 222.332 2.575 30 20 BFED CC[C@H]1CN(CC(C)(C)CCC#N)C[C@H](C)O1 92503370 OJSOHJDRTHCGQD-STQMWFEESA-N 238.375 2.816 30 20 BFED CCC1(C(=O)N2CCC[C@@H](C#N)C2)CCCC1 94901856 GFCYTJAVKHUGCV-LBPRGKRZSA-N 234.343 2.719 30 20 BFED C=CCOC(=O)C(C)(C)Oc1ccc(F)cc1 96998820 DJFXLZMRABQQLC-UHFFFAOYSA-N 238.258 2.712 30 20 BFED CCN(C[C@H](C)C#N)C(=O)c1ccc(Cl)o1 97727944 MJNXWDUSDIRPNG-MRVPVSSYSA-N 240.690 2.555 30 20 BFED Cc1ccc(C#N)cc1NC[C@H]1CCCOC1 111320422 SRLFFTPTSDIWBY-CYBMUJFWSA-N 230.311 2.705 30 20 BFED C=CCCCOc1ccc(OC)cc1[N+](=O)[O-] 117547907 MDAMSNARXBZEMR-UHFFFAOYSA-N 237.255 2.948 30 20 BFED N#Cc1cccc(NC(=O)C2[C@H]3CCCC[C@H]23)c1 118308609 FUMMQVTUVNPWNR-STQMWFEESA-N 240.306 2.933 30 20 BFED C=C(C)CN(CC)Cc1ccc(C#N)cc1OC 120564576 LVRVEUDLZKCNAQ-UHFFFAOYSA-N 244.338 2.965 30 20 BFED C=CCN(C)C(=O)Nc1ccc(C)c(C)c1 122363040 UESZFYKCDPCDFT-UHFFFAOYSA-N 218.300 2.953 30 20 BFED CC(=O)CCCCSc1cc(C#N)ccn1 122436922 LSZAWLWGVZMLPX-UHFFFAOYSA-N 234.324 2.805 30 20 BFED CC#CCCNc1ncccc1Br 125878269 GVFFKXWXQMADDG-UHFFFAOYSA-N 239.116 2.669 30 20 BFED C=CCC[C@H](CCC)NCc1c[nH]nc1C 130138674 RZFRNFVPXWJPHF-ZDUSSCGKSA-N 221.348 2.943 30 20 BFED C=CCCN(C)CCOc1ccccc1OC 132583105 MNBXRMATBIOYRS-UHFFFAOYSA-N 235.327 2.582 30 20 BFED C=C(C)COCCNC(=O)C[C@H]1CC[C@@H](C)C1 136160432 DKJBQCMWFCEBQB-OLZOCXBDSA-N 239.359 2.522 30 20 BFED CCCN(CC#N)C(=O)[C@@H](C)c1cccs1 152496740 ZJJYOXGARFXKRR-JTQLQIEISA-N 236.340 2.614 30 20 BFED CC#CCCOc1cc(F)ccc1[N+](=O)[O-] 154828098 YAFNFLDYGYANAE-UHFFFAOYSA-N 223.203 2.526 30 20 BFED C#CCCOC(=O)CCCSC(C)(C)C 155234951 ONWMVFRYTMXNLM-UHFFFAOYSA-N 228.357 2.865 30 20 BFED C#CCCCCNC(=O)c1ccc(CC)s1 155961181 YCBNDRMWOGIKTK-UHFFFAOYSA-N 235.352 2.844 30 20 BFED CC#CCCN1c2ccccc2OC[C@H]1C 156721023 RQSQLPFRWLXNJY-GFCCVEGCSA-N 215.296 2.687 30 20 BFED C#CCN(CC1CC1)C(=O)c1cccc(Cl)c1 156793155 SAZHGNVXBOKHAZ-UHFFFAOYSA-N 247.725 2.825 30 20 BFED CCOC(CCNc1ccc(C#N)cc1)OCC 160180073 XRDGRQUPPAQODK-UHFFFAOYSA-N 248.326 2.759 30 20 BFED CCN(CC#N)C(=O)C[C@H]1CCCCC1(C)C 161027173 GNLLTNKSEPYXRG-GFCCVEGCSA-N 236.359 2.965 30 20 BFED C=CCN(C)C(=O)c1cc2ccccc2n1CC 161526702 NLIQTKKWIBHYDI-UHFFFAOYSA-N 242.322 2.919 30 20 BFED C=C(C)CCN1CCC[C@@H](C(C)(C)C(=O)O)C1 164467531 PBYXQHWAESFFOZ-GFCCVEGCSA-N 239.359 2.775 30 20 BFED CC#CCN1C(=O)c2cccc3cccc1c23 165781993 IQSNBICNFJCSIO-UHFFFAOYSA-N 221.259 2.823 30 20 BFED C#C[C@@H](C)N[C@H](C)CCc1cccc(C)c1 166452374 RPQKKPBAIXVELY-ZIAGYGMSSA-N 215.340 2.927 30 20 BFED C#CCN(CC)C(=O)c1ccc(F)c(Cl)c1 168980115 JKYVAFCSEPPEGZ-UHFFFAOYSA-N 239.677 2.574 30 20 BFED CC(C)CCN(CCC#N)CCOCC1CC1 173546014 ITOMPIPQBANHEL-UHFFFAOYSA-N 238.375 2.675 30 20 BFED COC[C@H](C)Sc1ccccc1C#N 173709437 ZNNJRNKRHXJMPI-VIFPVBQESA-N 207.298 2.685 30 20 BFED C=CCCCC(=O)NCCc1ccccc1OC 175070007 ZTMGURBDNSGLBT-UHFFFAOYSA-N 247.338 2.710 30 20 BFED N#Cc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C1CC1 177588598 FODCLDKZKRKIAO-NWDGAFQWSA-N 244.269 2.682 30 20 BFED N#Cc1c[nH]c(-c2nc(-c3ccccc3)no2)c1 178403356 XLQKKCORXVTKJM-UHFFFAOYSA-N 236.234 2.603 30 20 BFED C[C@@H](NCCCCC#N)c1ccccc1O 179891250 CRABVMGIZCOXRH-LLVKDONJSA-N 218.300 2.737 30 20 BFED C=C(C)CN(C)C(=O)CCc1cccc(C)c1 180379807 RDJQRSPQWQQTMR-UHFFFAOYSA-N 231.339 2.962 30 20 BFED C=C(C)CN(C)C(=O)COc1ccc(CC)cc1 180428459 HXHJMJFUFLLIJK-UHFFFAOYSA-N 247.338 2.662 30 20 BFED CC[C@H](C#N)NC(=O)C1(C)CCCCCC1 181097851 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247.294 2.764 30 20 BFED C=CC[C@@H](C)NS(=O)(=O)CCCCCCC 195263730 NLXSYAJVVLVRRK-GFCCVEGCSA-N 247.404 2.841 30 20 BFED CN(CC1CCC1)c1cc(C#N)cc(Cl)n1 215555251 XCJHILIZUWNQSD-UHFFFAOYSA-N 235.718 2.843 30 20 BFED CCc1ccc(CNCCCC#N)cc1 227772053 VZRUFJUFGHNZNP-UHFFFAOYSA-N 202.301 2.642 30 20 BFED C[C@H]1CCC[C@@H]1CNc1cccnc1C#N 230683537 QPTNDMAQXTWWGW-WDEREUQCSA-N 215.300 2.801 30 20 BFED CC(C)n1cc(CNc2ccccc2C#N)cn1 232796105 BDRBKCLTKHFISW-UHFFFAOYSA-N 240.310 2.948 30 20 BFED C[C@@H](CC(=O)N(C)CCC#N)c1ccccc1 248048680 WYFIUASYCNINFX-LBPRGKRZSA-N 230.311 2.552 30 20 BFED C=CCN(C)C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 249291250 VYXXQQRJAHXWCX-RWMBFGLXSA-N 236.359 2.640 30 20 BFED C=CCC[C@H](N[C@@H]1C[C@@H]2OCCC[C@H]21)C1CC1 251619784 GMQZCOXSCNBQJS-XQLPTFJDSA-N 235.371 2.888 30 20 BFED Cc1ccc(C=NOCc2ccon2)cc1 255898137 IRNSWDCDGWSEGY-UHFFFAOYSA-N 216.240 2.534 30 20 BFED N#CCC1CCN(Cc2cccc(F)c2)CC1 259738357 CWDAYHCTNBIZJE-UHFFFAOYSA-N 232.302 2.951 30 20 BFED C=CCCC(=O)NCCCNc1ccccc1 264657391 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249.335 2.857 30 20 BFED C=C(Cl)CNC(=O)N[C@H](C1CCC1)C1CC1 836311901 RHBXSFVEQNBJHM-LLVKDONJSA-N 242.750 2.617 30 20 BFED CCCC[C@@H](NC(=O)C#CC1CC1)C1CCC1 837462190 PCAOXNKCYRVFIE-CQSZACIVSA-N 233.355 2.875 30 20 BFED CCC[C@@H](C)[C@@H]1CCCN1C(=O)C#CC1CC1 837479586 IRKQCGVEMLPHPE-OCCSQVGLSA-N 233.355 2.827 30 20 BFED O=C(C#CC1CC1)N[C@H]1CCCc2sccc21 837532907 AJTORCRKVDKEHZ-LBPRGKRZSA-N 245.347 2.655 30 20 BFED C=C(C)CNC(=S)N[C@H](C1CCC1)C1CC1 840837239 IRAZORCGXTWIES-GFCCVEGCSA-N 238.400 2.605 30 20 BFED CCC(=NNCCc1ccncc1)[C@@H]1C[C@H]1C 841637288 RDQVDLKXDOHHGC-DGCLKSJQSA-N 231.343 2.636 30 20 BFED C[C@H](O)CN(C)N=C[C@H]1CCCC(C)(C)C1 841654500 XNDGHXRGBXPZIK-RYUDHWBXSA-N 226.364 2.501 30 20 BFED C=CCCCCCCNC(=O)[C@H](CC)[C@H](C)O 842267693 HUIYQAQWHCRJPS-QWHCGFSZSA-N 241.375 2.646 30 20 BFED CO[C@@H](CC(C)C)C(=O)OCC#CC(C)(C)C 842350449 SIZMYZPUVJBRNP-LBPRGKRZSA-N 240.343 2.640 30 20 BFED CCCON=C(C)c1ccc(C#N)s1 842554844 RIKHFBBXWVRFGW-UHFFFAOYSA-N 208.286 2.770 30 20 BFED CCCC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842939590 RDVMCAKHWDVZFG-VIFPVBQESA-N 234.324 2.997 30 20 BFED C=C(C)CON=Cc1cnn(C(C)(C)C)c1 844616550 BSASTGVVZHAROQ-UHFFFAOYSA-N 221.304 2.565 30 20 BFED C=C[C@H]1CCCCN1CC1(Br)CC1 846881466 RHEIBTMYTINJEX-JTQLQIEISA-N 244.176 2.954 30 20 BFED COCC#CCOC(=O)c1cccc(C(C)C)c1 850282284 UOOMTHXXQBHLQV-UHFFFAOYSA-N 246.306 2.617 30 20 BFED CC1CC(COC(=O)c2sccc2C#N)C1 851463624 ZZBYBIFWYOOUKJ-UHFFFAOYSA-N 235.308 2.823 30 20 BFED CCON=Cc1cc(Cl)c(C)cc1O 853285871 AZDYTHXHGCUOMS-UHFFFAOYSA-N 213.664 2.724 30 20 BFED C[C@H]1CCCCN1N=C1CCC[C@H](C#N)C1 853382378 YUXCAGPNSZOEFE-RYUDHWBXSA-N 219.332 2.931 30 20 BFED Cc1c(CON=CC2CC2)cccc1[N+](=O)[O-] 853735512 VVFYSDAAAFVQQG-UHFFFAOYSA-N 234.255 2.816 30 20 BFED C=CC[C@@H]1CCCN(C(=O)C(C)(C)F)C1 855438895 QNTCFGFFXRUQLX-SNVBAGLBSA-N 213.296 2.549 30 20 BFED C=CCC(F)(F)C(=O)NCCCOC(C)(C)C 855701777 NNLFBELXMOYJED-UHFFFAOYSA-N 249.301 2.519 30 20 BFED C#CCCOC(=O)N(C(CC)CC)C1CC1 858910925 CHHNCBZZFKDANG-UHFFFAOYSA-N 223.316 2.799 30 20 BFED Cc1ccccc1COC(=O)N(CC#N)C1CC1 858921591 HZIVIRBRLPOYKL-UHFFFAOYSA-N 244.294 2.620 30 20 BFED C=CCCONC(=O)[C@@H](C)Cc1ccccc1C 862216296 KUCABPQOWLJPRY-ZDUSSCGKSA-N 247.338 2.798 30 20 BFED C[C@H]1CCCCN1N=Cc1cccc2[nH]ncc12 863126169 FKERFBSYWGUCKT-NSHDSACASA-N 242.326 2.771 30 20 BFED C[C@H]1CSC(S[C@@H](C#N)C2CC2)=N1 865361906 FKTMRTFQQOXDDE-XPUUQOCRSA-N 212.343 2.513 30 20 BFED C=C[C@H](CC)OC(=O)c1cnc(F)cc1C 870270351 VSFPBTQBBXVGLN-SECBINFHSA-N 223.247 2.651 30 20 BFED C=CC(C)(C)CC(=O)Nc1cnc(C2CC2)nc1 878716683 NDKGFZBYZQGQNX-UHFFFAOYSA-N 245.326 2.895 30 20 BFED CCON(CC)C(=O)Nc1cc(C)cc(C#N)c1 879848323 SLMJKHFZEDXAEB-UHFFFAOYSA-N 247.298 2.672 30 20 BFED C[C@@H]1COCC1=NNc1ccc2ccccc2n1 884375732 JWJYZSNKCYQSOF-SNVBAGLBSA-N 241.294 2.669 30 20 BFED CCC(=O)N1CCC(c2ccc(C#N)cc2)CC1 887707253 DNOHVRHIXNLQBX-UHFFFAOYSA-N 242.322 2.674 30 20 BFED C=CCNC(=O)N(C)Cc1c(C)cccc1C 891436467 NHEZUXIYILFKJL-UHFFFAOYSA-N 232.327 2.631 30 20 BFED C=C1CCC(C(=O)N(CC)C[C@@H](C)C#N)CC1 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BFED C=C[C@H](CC)CC(=O)N[C@H](CC)[C@H]1CCCO1 935086969 IAZWYKCRSLETHR-JHJVBQTASA-N 239.359 2.663 30 20 BFED CC[C@@H](C)c1nnc(C2(C#N)CCC2)o1 1118126879 HKUIVNHZMIBKLH-MRVPVSSYSA-N 205.261 2.528 30 20 BFED C[C@@H](CCC#N)CNCCCC(F)F 1119978236 YWKCAIWWUMNLML-VIFPVBQESA-N 204.264 2.561 30 20 BFED C[C@H](CC#N)N(C)C(=O)C(C)(C)C1CCCC1 1121188617 HQCQMFQGKZILTI-LLVKDONJSA-N 236.359 2.963 30 20 BFED C=C(CC)C(=O)N[C@@H]1CCCO[C@H]1CC(C)C 1123790203 QMHGFDOXWCOUCO-OLZOCXBDSA-N 239.359 2.663 30 20 BFED C=C[C@@H](COC)N[C@H](C)c1cc(F)ccc1F 1255018489 GHPWMLNVFVJHDD-KOLCDFICSA-N 241.281 2.816 30 20 BFED C=C[C@@H]1OCC[C@H]1c1nnc([C@H](C)CC)o1 1326985537 DWQRKFSBFSPFFY-BBBLOLIVSA-N 222.288 2.642 30 20 BFED CC(C)NC(=S)NN=C/C=C/c1ccccc1 1328384478 LCWOBDQMNNUDHK-KAQGHPILSA-N 247.367 2.558 30 20 BFED C=CC[C@H](N[C@H](C)CC1CCCC1)C(=O)O 1339135594 PVIUGNBBKTXQPX-PWSUYJOCSA-N 225.332 2.574 30 20 BFED C=C(C)CCC(=O)OCC1(Br)CC1 1343678061 LQLLCGFSGDXVFK-UHFFFAOYSA-N 247.132 2.813 30 20 BFED C=C(CC)C(=O)NCCCOc1ccc(C)cc1 1346387342 STVIKTKFDJMYTN-UHFFFAOYSA-N 247.338 2.846 30 20 BFED CC[C@@](C)(C#N)c1nnc([C@@H]2CCCCO2)o1 1346672219 AGRNZLDZTPGJOV-CABZTGNLSA-N 235.287 2.502 30 20 BFED C=C(CC(C)C)C(=O)N[C@@H]1CCO[C@@H](CC)C1 1548721602 DEYHIHZCLDAGQH-OLZOCXBDSA-N 239.359 2.663 30 20 BFED C=C(C)CCC(=O)OCc1ccc(C(=O)O)cc1 1573327032 ATKUYRLGNOTSOB-UHFFFAOYSA-N 248.278 2.784 30 20 BFED C=CC[C@@H](C(=O)O)N1CCC[C@H](C2CCC2)C1 1602835074 JBUNFHYQKQJULG-STQMWFEESA-N 237.343 2.528 30 20 BFED Cc1cc(N[C@@H]2CC[C@@H](C#N)C2)ccc1C(=O)O 1611158044 YCYYARFPPHGRLW-ZYHUDNBSSA-N 244.294 2.797 30 20 BFED N#Cc1ncccc1SCc1cncc(F)c1 1643929487 XSOPDCFOSMCWAK-UHFFFAOYSA-N 245.282 2.780 30 20 BFED C=C1CC(CN2Cc3ccc(C(=O)O)cc3C2)C1 1776145164 ZUIADBBSZXIVHS-UHFFFAOYSA-N 243.306 2.667 30 20 BFED N#Cc1cccc(/C=C/C(=O)N2CCCCC2)c1 32633122 UTQNAUCFWGPGFM-BQYQJAHWSA-N 240.306 2.584 30 20 BFED Cc1csc([C@@H](C#N)C(=O)c2ccoc2)n1 41518088 YNFQLQBVQNEYTE-VIFPVBQESA-N 232.264 2.535 30 20 BFED C[C@@H](C#N)CN(C)C(=O)CCC1CCCCC1 42460326 PYMWXUAMFHIVFO-LBPRGKRZSA-N 236.359 2.965 30 20 BFED CN(CCCC#N)Cc1ccc(F)c(F)c1 44438540 KUAHOWGFEHKKMP-UHFFFAOYSA-N 224.254 2.700 30 20 BFED CCn1cc(CNc2cccc(F)c2C#N)cn1 50539538 DCQDMPKGZYTNDC-UHFFFAOYSA-N 244.273 2.526 30 20 BFED Cn1cccc1CNc1ccc(F)c(C#N)c1 51634982 NIDLNIREAGQLKH-UHFFFAOYSA-N 229.258 2.648 30 20 BFED C[C@@H]1CN(Cc2ccc(F)cc2C#N)C[C@@H]1C 76110398 XUFWJHRQMGZCMR-PHIMTYICSA-N 232.302 2.785 30 20 BFED C[C@H]1CCC[C@H](NC(=O)C#Cc2ccccc2)C1 80539916 RISJVDZQMHQRSW-ZFWWWQNUSA-N 241.334 2.733 30 20 BFED N#Cc1c(F)cccc1NCC1CCC1 87031394 WPOILQBFDBNZPB-UHFFFAOYSA-N 204.248 2.909 30 20 BFED N#Cc1ccc(OCC[C@H]2CCCO2)cc1 87248409 GGZMNPUBYSPNDZ-GFCCVEGCSA-N 217.268 2.506 30 20 BFED C=CCN(Cc1cc[nH]n1)Cc1ccccc1F 92404684 SVIAFSAKCKYCNE-UHFFFAOYSA-N 245.301 2.737 30 20 BFED CC[C@H](CC#N)NC(=O)c1ccc(C)cc1F 94914336 HTRNGXSTCBHBJT-SNVBAGLBSA-N 234.274 2.556 30 20 BFED C=CCC[C@H](C)NCc1c(C)noc1C 96034298 QQIWTYCJWIJUGG-VIFPVBQESA-N 208.305 2.736 30 20 BFED CCC(CC)[C@@H](O)CNc1ccc(C#N)cc1 110601721 UUKLYYDCAKBLAW-AWEZNQCLSA-N 232.327 2.767 30 20 BFED C=CCOC(=O)Cc1ccccc1Cl 114758404 MUNQTGFUQUKGEV-UHFFFAOYSA-N 210.660 2.612 30 20 BFED C=CC[C@@H](C)NC(=O)Nc1ccccc1COC 117000709 AHKQDEWOZSCKDT-LLVKDONJSA-N 248.326 2.919 30 20 BFED C=C(Br)CSC1=NCCS1 124866597 LZHPNMXJVSQHPY-UHFFFAOYSA-N 238.175 2.731 30 20 BFED COC[C@H](N[C@@H](C)c1ccc(C#N)cc1)C1CC1 126182766 QOKCEARSOZJPFG-NHYWBVRUSA-N 244.338 2.634 30 20 BFED CC#CCNc1nc(C)nc2scc(C)c12 128667392 DNARAJUEUDNABU-UHFFFAOYSA-N 231.324 2.743 30 20 BFED C=CCNC(=O)Cc1cc(Cl)ccc1Cl 131601837 QSEWGKOVYZILAJ-UHFFFAOYSA-N 244.121 2.838 30 20 BFED Cc1noc(C)c1N(C)CCC(C)(C)C#N 131915490 HVPRLXSZWXNCIP-UHFFFAOYSA-N 221.304 2.668 30 20 BFED C=CCCC1=NN=C(Nc2ccccn2)SC1 134438578 VNPIMGRSVWSWJL-UHFFFAOYSA-N 246.339 2.919 30 20 BFED C[C@H]1C[C@@H](C)N(Cc2cccc(C#N)c2)C1 135478176 QFCJYWFRRZLCEQ-NWDGAFQWSA-N 214.312 2.789 30 20 BFED C#CCCOc1ccc(CN(C)CC=C)cc1 154793213 ODMMPYBTUUXUNM-UHFFFAOYSA-N 229.323 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C=CCCCOC(=O)c1ccnc(OC(C)C)c1 759849545 VLSPTFUVPGEOJI-UHFFFAOYSA-N 249.310 2.992 30 20 BFED CC#CCCOC(=O)[C@@H](C)c1cccc(OC)c1 760274094 OXJUNYPKRYNPRX-LBPRGKRZSA-N 246.306 2.755 30 20 BFED COc1cc(F)cc(NN=C(C)[C@@H](C)OC)c1 763179918 UBSIMUKMJQLECF-SECBINFHSA-N 240.278 2.657 30 20 BFED CC#CCCOC(=O)/C=C/C(=C\C)CC 765494959 QWINLQNERGUKQV-PSVAJBQZSA-N 206.285 2.856 30 20 BFED CC(C)(C(=O)OCC#N)C1CCCCC1 767048784 FYLCQYZPRFBPIT-UHFFFAOYSA-N 209.289 2.660 30 20 BFED C=CC[C@@H]1N(CC(OC)OC)CCCC1(C)C 769953560 OYJKNHQMCJXOLC-LBPRGKRZSA-N 241.375 2.672 30 20 BFED CC1=CCC[C@@H](C)[C@@H]1C=NN1CCCC1=O 773206161 DSWVZROJPJZRBM-VXGBXAGGSA-N 220.316 2.587 30 20 BFED C#CCCCCCC(=O)NC(C)(C)CC 779715246 JUIGHDYPLYLLAS-UHFFFAOYSA-N 209.333 2.875 30 20 BFED CC1(C)C[C@H](NN=C2CC3(CCC3)C2)CCO1 780248399 AMGKZMCGPLGJQU-LLVKDONJSA-N 236.359 2.854 30 20 BFED C#CCCCCCC(=O)OC[Si](C)(C)C 780259201 UOLMAEUMYLSFFR-UHFFFAOYSA-N 226.392 2.991 30 20 BFED C#CCN1CCC[C@@H]1/C=C/c1ccccc1 780400372 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C=CCNN=Cc1cc(O)cc(C(F)(F)F)c1 811650117 MDBVASXUGCVDFY-UHFFFAOYSA-N 244.216 2.521 30 20 BFED N#Cc1csc(C=NOC/C=C/Cl)c1 811671670 JPOBZHUJDGWZSQ-BNCSNCMMSA-N 226.688 2.723 30 20 BFED Cc1ccc(NN=C2CC[C@H]2C2CC2)nc1 814831940 YCVZENZOBWHDHI-NSHDSACASA-N 215.300 2.978 30 20 BFED N#C[C@@H]1CCCC(=NNc2cccc(F)n2)C1 814928166 ZEINXJSRLCSEAI-SECBINFHSA-N 232.262 2.702 30 20 BFED C#CCN(C)c1nc(C2CCCCC2)ns1 817121751 URCINGMOCBSNMZ-UHFFFAOYSA-N 235.356 2.655 30 20 BFED C#C[C@H](C)NC(=O)N1CCCC(C)(C)[C@H]1CC=C 820411089 BXXBRAFSHTUKGD-QWHCGFSZSA-N 248.370 2.784 30 20 BFED O=C(C#Cc1cccs1)NC[C@@H]1CC=CCC1 825438623 YEMXWUFUVLPWEC-GFCCVEGCSA-N 245.347 2.572 30 20 BFED C=CC(C)(C)CNc1ccc(N)cc1[N+](=O)[O-] 828816203 MRJRKMUUHFWVKV-UHFFFAOYSA-N 235.287 2.801 30 20 BFED COc1ccc(NC(=O)C2(C)CCC2)cc1C#N 830417453 YUHFLAODZXVYGN-UHFFFAOYSA-N 244.294 2.696 30 20 BFED CC(C)C[C@@]1(C)CCCN1CCO[C@@H](C)C#N 830808543 KIRADMJSRIKGJI-UONOGXRCSA-N 238.375 2.816 30 20 BFED CC1(C)CCCCC1=NNc1ccncn1 835001324 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O=C(/C=C/c1ccnn1CC1CC1)c1ccco1 849246376 HUQKMUXYKGSCSF-AATRIKPKSA-N 242.278 2.782 30 20 BFED C#C[C@H](OC(=O)c1cccc(OC)c1C)C1CC1 850910567 HXKGFYXFOCDXQK-ZDUSSCGKSA-N 244.290 2.572 30 20 BFED C#C[C@](C)(CC)NCc1csc(CCC)n1 852098528 PPXGMDVFKFTOTP-CYBMUJFWSA-N 236.384 2.987 30 20 BFED C=CCN1CCN(c2ccc(C)cc2C)CC1 852743305 VIQLCYBKXCBOSB-UHFFFAOYSA-N 230.355 2.611 30 20 BFED CCCNN=Cc1cc(F)ccc1OC(F)F 853289643 OTYRDKSDYARXOF-UHFFFAOYSA-N 246.232 2.761 30 20 BFED CC(=NOCC1CCC1)c1ccc(O)cc1O 853439316 DJZDQQQZXIYGEP-UHFFFAOYSA-N 235.283 2.639 30 20 BFED C=C(Cl)CSCC(=O)N1CCC(C)CC1 853782741 LKTYNHQNECTOQI-UHFFFAOYSA-N 247.791 2.731 30 20 BFED C=CCC1(NC(=O)/C=C(\C)CC)CCOCC1 855690011 YILWXTLNQNAWEC-VAWYXSNFSA-N 237.343 2.584 30 20 BFED C=CCCONC(=O)C=C1CCC(C)CC1 856032684 SKTOQXFIFVOVHR-UHFFFAOYSA-N 223.316 2.747 30 20 BFED C[C@@H](C#N)COC(=O)/C=C\CCc1ccccc1 870246935 BERBZFDTGJREGY-HKBVPSITSA-N 243.306 2.878 30 20 BFED CCC[C@@H](CC)C(=O)N[C@](C)(C#N)CC 874260798 HZHLBPVBQWYJGL-PWSUYJOCSA-N 210.321 2.621 30 20 BFED C=CC(C)(C)CC(=O)O[C@H](CC)CCOC 892876489 HAAXAGOYHAWFTE-LLVKDONJSA-N 228.332 2.947 30 20 BFED C#C[C@@H](CC)NC/C=C\c1cccc(F)c1 894737898 ISHYRPMMKWOZEX-QPBFKRLHSA-N 217.287 2.840 30 20 BFED CCOc1cccc(CN2CCC[C@@H](C#N)C2)c1 896501510 BYQYLVHETUQXFI-AWEZNQCLSA-N 244.338 2.821 30 20 BFED C=C1CN(C(=O)Cc2ccc(SCC)cc2)C1 898699630 OPUOBXPCVXFPNQ-UHFFFAOYSA-N 247.363 2.740 30 20 BFED Cc1cc(C=NOC2CCCC2)cnc1F 901210901 SSTNWVMKWBDQNB-UHFFFAOYSA-N 222.263 2.822 30 20 BFED C[C@@H]1O[C@H](C)CC1=NNc1ccc(F)c(F)c1 901317910 PKXLVZGGYAILOX-SFYZADRCSA-N 240.253 2.930 30 20 BFED Fc1ccc(NN=CC2CCOCC2)cc1F 901318635 WXZHRGHCOVKCTM-UHFFFAOYSA-N 240.253 2.789 30 20 BFED C/C=C(/CC)C(=O)N(O)Cc1ccc(F)cc1 904174335 ZJTJGYNTBAWPKD-JYOAFUTRSA-N 237.274 2.900 30 20 BFED C=CC[S@@](=O)Cc1ccn(C(CC)CC)n1 905193067 CDXVRIQXEKNXBH-MRXNPFEDSA-N 240.372 2.679 30 20 BFED N#C[C@@H]1CCCN([C@@H]2C[C@@H]2c2cccc(F)c2)C1 906597999 SPXQRCUFCBDQIW-NILFDRSVSA-N 244.313 2.917 30 20 BFED C=CCCC(=O)[C@H]1CCCN1C(=O)/C(C)=C/CC 908651380 JSLRKPVNCCJMAW-YQCJOKCJSA-N 249.354 2.869 30 20 BFED CCC(CC)=NNc1cncc(Cl)n1 914560361 ZVARTAIBJOPSBM-UHFFFAOYSA-N 212.684 2.718 30 20 BFED N#CCCCCOC(=O)[C@H]1C[C@H]2CC[C@H]1C2 914625493 XTTMTPDHCVYPLF-SRVKXCTJSA-N 221.300 2.660 30 20 BFED C=CCNC(=S)N[C@@H](C)Cc1ccccc1C 917580438 JGBRJNZLHINEOA-LBPRGKRZSA-N 248.395 2.576 30 20 BFED C=CCCOCC(=O)OC[C@H]1CC=CC[C@@H]1C 920818001 VZZFGGJLVVLFLB-QWHCGFSZSA-N 238.327 2.725 30 20 BFED C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC#N 928386050 NVFDAYALQLUINR-JSGCOSHPSA-N 242.322 2.695 30 20 BFED C=C1CN(C(=O)Nc2ccccc2OC(C)C)C1 929695142 NOEZONLMGDMMDI-UHFFFAOYSA-N 246.310 2.878 30 20 BFED C=C[C@H](CC)CC(=O)NCCOCCC(C)C 930923506 MDAFDHFQCZGXHU-CYBMUJFWSA-N 241.375 2.768 30 20 BFED Cc1ccc(CCN2CCC[C@H](C#N)C2)cc1 932150012 CTLDSHQDOMQVCY-OAHLLOKOSA-N 228.339 2.773 30 20 BFED C=C[C@@H](CC)CC(=O)NCCC1CCC1 934472756 UGHXPEIQHBVPLL-NSHDSACASA-N 209.333 2.895 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1cc(O)cc(OC)c1 935293666 NYTNWOKZKBHXSB-JTQLQIEISA-N 249.310 2.942 30 20 BFED C=CCCCCCN(C)Cc1cc(C)[nH]n1 1116442958 ZHLYJLFXDHZRSU-UHFFFAOYSA-N 221.348 2.896 30 20 BFED C=CCCC[C@@H](N)C(=O)N(CCC)CC(C)C 1122167715 KHGWMLWGMOBIHV-CYBMUJFWSA-N 240.391 2.565 30 20 BFED CC[C@H](NCC#CCOC)c1ccc(F)cc1 1320039257 IPGVZUXRQOTAIM-AWEZNQCLSA-N 235.302 2.516 30 20 BFED CCc1ccc(C(=O)NC(C)(C)C#N)cc1CC 1320624196 VOQVVTWMWLQJFH-UHFFFAOYSA-N 244.338 2.843 30 20 BFED N#CCc1cccc(N2Cc3ccccc3C2)n1 1320655919 MLGZEFVNMFDOGE-UHFFFAOYSA-N 235.290 2.668 30 20 BFED Cc1cc(C(=O)O[C@@H](C)C#N)c(C)n1C1CC1 1321490843 CIZCLWHPXKUOFT-VIFPVBQESA-N 232.283 2.509 30 20 BFED C=CCCOC(=O)C1(Oc2ccccc2)CC1 1326208493 GIHQSAXXOHFBFD-UHFFFAOYSA-N 232.279 2.717 30 20 BFED C[C@H]1CSCC1=NNCc1ccc(F)cc1 1327844209 VZSRGPNLGKHTOF-VIFPVBQESA-N 238.331 2.654 30 20 BFED N#C[C@@H]1CCC[C@H](NCCCC(F)F)C1 1334042135 ZPEJBFVCSZHJGT-ZJUUUORDSA-N 216.275 2.704 30 20 BFED C=C(C)CCC(=O)N(CC#N)C1CCCC1 1335777755 FEBXVYZAYQNJDY-UHFFFAOYSA-N 220.316 2.637 30 20 BFED C=C(C)CCC(=O)NCCC#C[Si](C)(C)C 1336018968 SIYBMEVUGGALID-UHFFFAOYSA-N 237.419 2.730 30 20 BFED CC[C@H](C#N)N(CC)C(=O)CC[C@H](C)SC 1337579652 AHHSRZVCPJWSCZ-WDEREUQCSA-N 242.388 2.669 30 20 BFED C=C(C)CCC(=O)N1CCS[C@@H](C)[C@@H]1C 1338853357 WFROECPTUCHUPN-QWRGUYRKSA-N 227.373 2.695 30 20 BFED C=C(C)CN(C)C(=O)c1ccnn1[C@H](C)CC 1340648335 RIKPHUXQNQLOPN-LLVKDONJSA-N 235.331 2.502 30 20 BFED C=CCC[C@H]1CCCN1C(=O)N[C@@H](C)C1CC1 1343509208 MPKUNJOALMAOGG-AAEUAGOBSA-N 236.359 2.925 30 20 BFED C=C[C@H](C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1)c1ccccc1 1347195591 WTWJKVBWEBMDNS-XGUBFFRZSA-N 241.334 2.871 30 20 BFED CCC[C@](C)(CC)C(=O)[C@@H](C#N)c1nccn1C 1515840010 ZWOZALJTBUZXQE-RISCZKNCSA-N 247.342 2.813 30 20 BFED C=C(CC)C(=O)N1CCCC[C@@H]1C(F)F 1548701041 KLWDVFVFFIJCFH-SECBINFHSA-N 217.259 2.599 30 20 BFED Cc1ccc(NN=C[C@H]2C[C@H]2C)cc1C(=O)O 1610509939 UCAJBLTXYDJNLG-NXEZZACHSA-N 232.283 2.747 30 20 BFED C=CCCCN1CCC(C(C)(C)C(=O)O)CC1 1776175075 RJWLFQMDVYKHIN-UHFFFAOYSA-N 239.359 2.775 30 20 BFED Cc1ncsc1C(=O)Nc1ccccc1C#N 19441043 CTPKIEWIABDKFR-UHFFFAOYSA-N 243.291 2.576 30 20 BFED CCc1cc(NCc2cccc(C#N)c2)ncn1 40765162 XGBOBQTWKBYGOF-UHFFFAOYSA-N 238.294 2.523 30 20 BFED C=CCNC(=O)Nc1cccc(CC)c1 43333831 LXFXKOFWWCYIOI-UHFFFAOYSA-N 204.273 2.557 30 20 BFED CN(Cc1cccc(C#N)c1)c1cccc(F)n1 48962387 HUXFIWMOOMOYRQ-UHFFFAOYSA-N 241.269 2.729 30 20 BFED CC(C)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 49828368 HIFCJZOUVDUHRM-LLVKDONJSA-N 236.702 2.677 30 20 BFED COC[C@H](C)CNc1cccc(Cl)c1C#N 49901198 BVEYSMCRQUXEQH-SECBINFHSA-N 238.718 2.906 30 20 BFED C[C@H](C#N)CNCc1ccc(Cl)c(F)c1 54181889 NDGMWBWIEHUQKR-MRVPVSSYSA-N 226.682 2.728 30 20 BFED N#CCCSc1nccc(C(F)(F)F)n1 58583747 KGVCVBVOASICGK-UHFFFAOYSA-N 233.218 2.501 30 20 BFED Cc1ccccc1C(=O)N(C)C1(C#N)CCC1 67684096 SUNSRJVIPKVBDD-UHFFFAOYSA-N 228.295 2.513 30 20 BFED C[C@H]1CCC[C@H]1NCc1ccc(C#N)cc1 70826376 MWYGMERHJNPIGL-SMDDNHRTSA-N 214.312 2.836 30 20 BFED C=CC[C@H](C)NC(=O)Cc1cc(F)ccc1F 80348258 JZDLQIVYLDHXAW-VIFPVBQESA-N 239.265 2.588 30 20 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C[C@H](C(=O)NCCCCC#N)c1cccs1 172411866 FISNJGCADYNFLX-JTQLQIEISA-N 236.340 2.662 30 20 BFED CC[C@H](C)c1cc(C(=O)NCCCCC#N)on1 172832983 WHUYHZCIKPXNGT-JTQLQIEISA-N 249.314 2.612 30 20 BFED C=CCCCC(=O)N1C[C@H](C)Oc2ncccc21 179298645 BMNPKYQDUZZMDN-NSHDSACASA-N 246.310 2.552 30 20 BFED C#CCCCCC(=O)N1CCC[C@@H]2CCC[C@H]21 180270373 AJVNGMDZUXIYPA-UONOGXRCSA-N 233.355 2.971 30 20 BFED C=C(C)CN(C)Cc1ccc(O[C@@H](C)C#N)cc1 181047081 GVWDRRPBGWQRLI-ZDUSSCGKSA-N 244.338 2.985 30 20 BFED CCC1(CC)[C@H](NCCCCC#N)C[C@H]1OC 181684218 KQEOAKOGMOPPCQ-CHWSQXEVSA-N 238.375 2.864 30 20 BFED CCCCC[C@@H](CC)C(=O)n1ncc(C#N)c1N 182520553 NLQQYQXOYYACBW-SNVBAGLBSA-N 248.330 2.584 30 20 BFED C=CCCCN[C@@H](C(=O)OCC)[C@@H](C)CC 183602792 DCPYIRBJXQVRIL-NWDGAFQWSA-N 227.348 2.520 30 20 BFED CCC(C)(C)N(CCC#N)C(=O)c1ccncc1 189924205 UPUQAHPXFRUUND-UHFFFAOYSA-N 245.326 2.626 30 20 BFED COc1ccc([C@H](C)[C@@H](C)NC[C@@H](C)C#N)cc1 192719936 GSKZWUUXUGEENF-YNEHKIRRSA-N 246.354 2.936 30 20 BFED CCCCCCCN1C[C@H](C)[C@@H](C(=O)O)C1 223826571 QCSFMXORIGHUCG-RYUDHWBXSA-N 227.348 2.609 30 20 BFED C#C[C@@H](CC)NC(=O)c1c(C)cc(C)cc1C 233893075 SMYWHDJGUPJNIG-ZDUSSCGKSA-N 229.323 2.753 30 20 BFED CC(C)c1ccc(CCNCCC#N)cc1 258981917 WLJXYQCVMKFTIW-UHFFFAOYSA-N 216.328 2.856 30 20 BFED Cc1ccc(CN2CCC[C@@H](CC#N)C2)cn1 259653843 BRJXJAPAYSGMNF-ZDUSSCGKSA-N 229.327 2.516 30 20 BFED C=CCCC(=O)Nc1cccc([C@@H](C)C(=O)O)c1 263166992 FNAJKWNIWUYVFQ-SNVBAGLBSA-N 247.294 2.779 30 20 BFED C=CCOCCCC(=O)Nc1ccncc1CC 266269323 AOTLXBFNSMZBIC-UHFFFAOYSA-N 248.326 2.565 30 20 BFED CCC[C@@H]1CN(c2ccc(F)cc2C#N)CCO1 270276094 RLIMQADDWXGXKY-CYBMUJFWSA-N 248.301 2.703 30 20 BFED CN(CC#N)[C@H]1CCC[C@@H]1c1ccccc1 272325660 LVHRKHHGAJBIRX-KGLIPLIRSA-N 214.312 2.778 30 20 BFED CCN(CC#N)CCCc1cccc(C)c1 272390933 ZKNZNGDIMRJCBD-UHFFFAOYSA-N 216.328 2.773 30 20 BFED C=CCCN(C)Cc1noc(-c2ccsc2)n1 276366607 GIFJPEWSOVVLPU-UHFFFAOYSA-N 249.339 2.806 30 20 BFED C#CCNc1ccccc1NC(C)(C)C 277433996 GKSQWJZYFRXZEP-UHFFFAOYSA-N 202.301 2.942 30 20 BFED C#CC(C)(C)N(C)Cc1ncc(C(C)(C)C)o1 279261256 MGVLDDBJOFQOPQ-UHFFFAOYSA-N 234.343 2.816 30 20 BFED CC1=C(C)CN(C(=O)c2ccc(C#N)cc2)CC1 280275962 RNDKSMSXLKCHPB-UHFFFAOYSA-N 240.306 2.741 30 20 BFED C[C@@H]1CC=CC[C@H]1C(=O)N(CC#N)C1CCCC1 283812878 DGERLHISEDMXRM-TZMCWYRMSA-N 246.354 2.883 30 20 BFED C=C(C)CCc1noc(CCc2cscn2)n1 285069001 IYBUEXFTKGLRKW-UHFFFAOYSA-N 249.339 2.820 30 20 BFED C#CCN(Cc1ccccc1)Cc1cc(C)no1 285819548 VKMBFUFARPSGOY-UHFFFAOYSA-N 240.306 2.618 30 20 BFED C=CCC(C)(C)c1nc(-c2cocn2)no1 291880017 JLQMYDQKEUQPEJ-UHFFFAOYSA-N 219.244 2.578 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@H](C)C(C)(F)F 293490098 ANKRKVOPBHJLOR-DTWKUNHWSA-N 219.275 2.749 30 20 BFED C=CC[C@@H](C)NC(=O)c1cc(C)cs1 293700987 NHVJMVZZYVFSBU-SECBINFHSA-N 209.314 2.751 30 20 BFED N#CCCCNC(=O)c1cccc2c1CCCC2 294922117 JXFWIVYZWUTFOD-UHFFFAOYSA-N 242.322 2.599 30 20 BFED C=C(C)CN1CC(C)(C)N(CC(=C)C)C[C@@H]1C 296528559 CUBDLPKZMYJHDN-AWEZNQCLSA-N 236.403 2.923 30 20 BFED C=CCN(C(=O)[C@@]1(C#N)CC12CCCC2)C1CC1 297637433 DIFNPVNHOFYMCO-HNNXBMFYSA-N 244.338 2.637 30 20 BFED CC[C@@H](C)C(=O)OCc1cc(C#N)ccc1F 298128529 XOMZWIXWLZULCB-SECBINFHSA-N 235.258 2.787 30 20 BFED CC[C@@H](C)N(C)c1nc(Cl)c(C#N)s1 306210135 CDHKDHJLRXGZCE-ZCFIWIBFSA-N 229.736 2.903 30 20 BFED C#C[C@@H](CC)NC(=O)c1csc(Cl)c1 306263220 CJIKIJZMAXSKMP-QMMMGPOBSA-N 227.716 2.543 30 20 BFED C=C(Cl)CN[C@@H]1CS[C@H](C(C)C)C1 308160267 UQKYAPOTMQPGPP-UWVGGRQHSA-N 219.781 2.859 30 20 BFED COCCCC(C)=NOC/C=C/Cl 308406178 JTQBPXHUNQSCFI-QCKYBNNWSA-N 205.685 2.558 30 20 BFED N#Cc1cc(Sc2cccc(F)c2)ncn1 309173524 BEXWGCABLPZHHQ-UHFFFAOYSA-N 231.255 2.639 30 20 BFED N#Cc1cncnc1NCCC1CCCCC1 310326891 XJPJKUNZTYXXPK-UHFFFAOYSA-N 230.315 2.731 30 20 BFED C=CCC[C@H](CO)N[C@@H](C)c1ccc(C#N)cc1 320362021 HKTXQVKMIVDFRT-SWLSCSKDSA-N 244.338 2.536 30 20 BFED C#C[C@@H](CC)NCc1cccc(O)c1Cl 328482781 RVYVFZNRIPKSTH-JTQLQIEISA-N 223.703 2.547 30 20 BFED C[C@@H]1CC[C@H](/C(O)=N/C2(c3nc[nH]n3)CCC2)C1 329336355 LSFNOOXBFASNED-ZJUUUORDSA-N 248.330 2.577 30 20 BFED Cc1ccc(C(C)(C)/N=C(/O)[C@H]2CCCO2)cn1 329803375 ZPRYNXAVZYVLLG-GFCCVEGCSA-N 248.326 2.761 30 20 BFED CCCC1(C/N=C(/O)c2csc(O)n2)CC1 329985543 RCECLTJSOOSYRL-UHFFFAOYSA-N 240.328 2.734 30 20 BFED C[C@@H]1CCCC[C@H]1C(=O)N[C@@]1(C#N)CC1(C)C 331931451 GWIHSOPBXHNNHD-JTNHKYCSSA-N 234.343 2.621 30 20 BFED C=Cc1ccc(C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 335107312 COWZWNRQKYIEPX-GXTWGEPZSA-N 240.306 2.752 30 20 BFED Cc1ncccc1NC(=O)c1ccc(C#N)s1 335388972 FMRQESPHXGIWAP-UHFFFAOYSA-N 243.291 2.576 30 20 BFED CC1=C(C)C[C@@H](C(=O)N[C@H](C)CC#N)CC1 335526588 DXFGRPLAIGMAIC-NEPJUHHUSA-N 220.316 2.541 30 20 BFED C[C@H]1c2ccccc2CCN1CC1(C#N)CC1 335723221 CDNVKWJSWPCLBO-LBPRGKRZSA-N 226.323 2.909 30 20 BFED COc1cccc([C@@H]2C[C@H](C)CN2CC#N)c1 335795500 YILYRKVKQFMRGQ-FZMZJTMJSA-N 230.311 2.602 30 20 BFED C[C@H]1COC(C)(C)CN1Cc1cccc(C#N)c1 336092406 SNXSGQWKISEECP-LBPRGKRZSA-N 244.338 2.558 30 20 BFED CC[C@H]1CCCCN1CC1(C#N)CCC1 336189928 XLOITRCBYORBAA-LBPRGKRZSA-N 206.333 2.945 30 20 BFED N#Cc1cnccc1/C=C/c1cccnc1 336410258 SHFOPABMHSEJSA-ONEGZZNKSA-N 207.236 2.519 30 20 BFED C=CCSCCN[C@H]1CC[C@H]1C1CC1 336678057 DPKFDUPHMOFYPD-RYUDHWBXSA-N 211.374 2.684 30 20 BFED Cc1nc([C@@H](C)NCC2(CC#N)CC2)cs1 336752669 VYUWBWHKRCTKIN-SECBINFHSA-N 235.356 2.796 30 20 BFED CC[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 339012329 XSCYUAUQDUJLRW-UPJWGTAASA-N 206.333 2.801 30 20 BFED CCCCC(=O)Nc1ccccc1CC#N 339166182 CYUQOCRLURMCJA-UHFFFAOYSA-N 216.284 2.881 30 20 BFED C=CCN1CC[C@H](Oc2ccc(Cl)cc2)C1 339657493 OCUALZSHIBSHJY-ZDUSSCGKSA-N 237.730 2.979 30 20 BFED CC#CCN(C)Cc1c(Cl)cccc1OC 339756881 PIHIQJXFCOEGIO-UHFFFAOYSA-N 237.730 2.804 30 20 BFED CO[C@H]1CCC[C@H]1CNc1ccc(C#N)cc1F 340946618 HIVOLHSAHWRHCX-FZMZJTMJSA-N 248.301 2.924 30 20 BFED C=C[C@@H](C)NC(=O)c1ccc2cc(C)ccc2n1 342826354 MWXRDIXRGHDIOT-LLVKDONJSA-N 240.306 2.848 30 20 BFED C=CCOCC(=O)Nc1ccc2ccoc2c1 343957731 FYHKEADWIMGRLI-UHFFFAOYSA-N 231.251 2.574 30 20 BFED C[C@@H](CC#N)NC(=O)C1C[C@H]2CCC[C@H](C1)C2 345691515 ATQDZPWDEYNNPE-SRVKXCTJSA-N 234.343 2.621 30 20 BFED C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCC1(C)C 346183009 MRZFPDQEQGRVHH-FZMZJTMJSA-N 239.359 2.520 30 20 BFED C=CCC(C)(C)C(=O)Nc1ccc(C)nc1O 346565087 ZFVJEKNHGHOULW-UHFFFAOYSA-N 234.299 2.636 30 20 BFED C=CCOCCCN1CCC[C@H](C)CC1 347963304 JKGZEAKHDHFJLH-ZDUSSCGKSA-N 211.349 2.701 30 20 BFED C=C(C)CN(C)C[C@H](C)CC1CCOCC1 350353313 JFQHLNLTVNARBP-CYBMUJFWSA-N 225.376 2.947 30 20 BFED C=CCC[C@@H](O)CN(CC)c1cccc(OC)c1 351640051 CXZUVDATHXQKHL-CQSZACIVSA-N 249.354 2.849 30 20 BFED C=C(C)CCN1CC[C@H](CN(C)CCC)C1 352028582 QGRROHKQQRPFAI-CQSZACIVSA-N 224.392 2.616 30 20 BFED CCCCSCCC(=O)N(C)C[C@@H](C)C#N 352067430 JBMRUCDOXGKGIU-NSHDSACASA-N 242.388 2.528 30 20 BFED C[C@H](CC(=O)N(C)CCC#N)C1CCCCC1 356463984 QLWWXADWWBCTTC-GFCCVEGCSA-N 236.359 2.965 30 20 BFED COC1(CN[C@H]2CC[C@@H](C#N)C2)CCCCC1 359688152 QPHDOLBRZRJEBJ-OLZOCXBDSA-N 236.359 2.618 30 20 BFED C=CCCCC(=O)N1CC[C@H](CC2CC2)C1 359730546 GOCZRGAGRYPFFO-CYBMUJFWSA-N 221.344 2.991 30 20 BFED C[C@H](C(=O)N[C@@H](C)C1CC1)c1cccc(C#N)c1 359849883 OIOAPGMUHHSNGX-QWRGUYRKSA-N 242.322 2.576 30 20 BFED C=CCN(CCOC)C(=O)[C@@H](CC)CCCC 361076180 MVYQNNRLBMSFFC-ZDUSSCGKSA-N 241.375 2.864 30 20 BFED CCN(Cc1ccc(CC#N)cc1)C[C@@H](C)OC 361574002 QMVMKGYTHXMCLA-CYBMUJFWSA-N 246.354 2.609 30 20 BFED C=C[C@H](C)NC(=O)C1(CC(C)C)CCC1 362601836 RJMLAPSWGXDROV-NSHDSACASA-N 209.333 2.894 30 20 BFED C=CCCCCCN1CCC(c2nc[nH]n2)CC1 369327170 OZMBSMYXCGNQMK-UHFFFAOYSA-N 248.374 2.731 30 20 BFED CC(C)(C#N)CC(=O)N1CCC2(CCC2)CC1 375805922 KPEIBLGWXKSKSB-UHFFFAOYSA-N 234.343 2.719 30 20 BFED N#Cc1ccnc(N2CC[C@H](c3ccco3)C2)c1 376212034 NBSWXQDLBVRNDS-LBPRGKRZSA-N 239.278 2.540 30 20 BFED N#Cc1cccc(C(=O)NC23CCC(CC2)C3)c1 378642551 GMMDIIHWAQFXOV-UHFFFAOYSA-N 240.306 2.621 30 20 BFED C=CCCCCNC(=O)C[C@H](N)c1ccccc1 381199905 OPNJJSZANYTKKG-AWEZNQCLSA-N 246.354 2.549 30 20 BFED Cc1cc(CNCC(C)(C)C#N)cc(Cl)n1 381562524 RTMXXCCACYISDJ-UHFFFAOYSA-N 237.734 2.683 30 20 BFED C=CCC(C)(C)CN[C@@H]1C[C@H](C)O[C@H]1C 384585709 LKTWFMRDTYRYIP-SDDRHHMPSA-N 211.349 2.744 30 20 BFED CC[C@H](NCCOCCC#N)C1CCCCC1 385279111 ZETNHJZGHRGUTN-AWEZNQCLSA-N 238.375 2.865 30 20 BFED CCN(CCC1CC1)CC1(CC#N)CC1 385912797 HNGRTBAZGPWEFZ-UHFFFAOYSA-N 206.333 2.802 30 20 BFED CC[C@@](C)(C#N)NC(=O)c1cccc(F)c1C 399635629 WMNWFPGRMZQARB-ZDUSSCGKSA-N 234.274 2.556 30 20 BFED Cc1ncc(CN(C)CC2(CC#N)CC2)s1 400084563 QNUBFQGROSINAD-UHFFFAOYSA-N 235.356 2.577 30 20 BFED C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](C)C1 409473921 BWIVMXIOCMLRKT-VXGBXAGGSA-N 224.348 2.783 30 20 BFED CCC[C@@H](C#N)N(C)C(=O)CCCC(C)C 410832387 CTDANJZSAXXLOY-LBPRGKRZSA-N 224.348 2.963 30 20 BFED C[C@@H](CCC#N)N1CCC2(CCOCC2)[C@@H]1C 411521198 AMXITBACQTXMTQ-STQMWFEESA-N 236.359 2.570 30 20 BFED N#CCCSCCCN1CCCCC1 413016613 WRBDGSRCFHSWJP-UHFFFAOYSA-N 212.362 2.509 30 20 BFED COCC[C@@H](C)CNc1ccc(F)cc1C#N 413494136 QCYQXCKKEKMWBP-SNVBAGLBSA-N 236.290 2.782 30 20 BFED C=CCn1cccc1C(=O)N1C[C@H](C)[C@H](C)[C@@H]1C 416318128 FHGSNZYFQXKFSO-AVGNSLFASA-N 246.354 2.791 30 20 BFED N#CCN(CCOCC1CCC1)C1CCCC1 419196902 ADVYLTLBHPYGET-UHFFFAOYSA-N 236.359 2.571 30 20 BFED C=CCC[C@@H](CC)NC[C@@]1(C)CCCNC1 423334637 QXCKRICUTFSXRU-KGLIPLIRSA-N 224.392 2.711 30 20 BFED N#Cc1cccc([N+](=O)[O-])c1N1CCC=C(F)C1 425251245 XDXRKQQFTBXFJH-UHFFFAOYSA-N 247.229 2.530 30 20 BFED CCCC(C)(C)NC(=O)N[C@@H]1CC[C@H](C#N)C1 425850676 SRBTWMFAEOVOIP-WDEREUQCSA-N 237.347 2.557 30 20 BFED C=C(CC)CN1CCOC[C@@H](C2CCC2)C1 429030956 SQBDAZXFGIIZRW-AWEZNQCLSA-N 223.360 2.701 30 20 BFED COc1cc(C)cc(CN[C@@H]2CC[C@@H](C#N)C2)c1 442829901 QMVURIWYKMENJL-TZMCWYRMSA-N 244.338 2.786 30 20 BFED CC(C)(CN[C@H]1CC[C@@H](C#N)C1)c1ccccn1 449393536 NMAMOVMJWNDVJN-OLZOCXBDSA-N 243.354 2.641 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 449520495 PXQBLHJDUHPDCW-ZPHYEXBNSA-N 247.382 2.744 30 20 BFED C=C[C@@H]1CCCCN1C(=O)c1cc(CCC)on1 451250575 SQBNXEIQDPLGHB-LLVKDONJSA-N 248.326 2.808 30 20 BFED C=C(C)CCNC(=O)c1ccc(C)c(C(C)=O)c1 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226.323 2.836 30 20 BFED C[C@H](C#N)CNC/C=C\c1ccc(F)cc1F 543624217 UHIUPKHGLXFOST-MXQLGCADSA-N 236.265 2.727 30 20 BFED C=CCN(C)c1nnc(C2CCCC2)n1CC=C 554610860 ZWBSZKLDYNYNJZ-UHFFFAOYSA-N 246.358 2.744 30 20 BFED C=C(C)CCN1CCC[C@H]1[C@@H]1CCCOC1 566617906 OQVLDTXOQKKNKV-KGLIPLIRSA-N 223.360 2.844 30 20 BFED C=CC[C@H](CC)NC[C@@H](O)CCC(C)C 567700154 GDNOIBNZOPCVSH-STQMWFEESA-N 213.365 2.728 30 20 BFED C=CCCCCN(C)C1C[C@@H]2CC[C@H](C1)N2C 580156067 JDBWBCIXGTZLAQ-YIONKMFJSA-N 236.403 2.900 30 20 BFED COCCCCN1CCCc2cc(C#N)ccc21 582763538 CBWCTWZVJOZPHZ-UHFFFAOYSA-N 244.338 2.737 30 20 BFED Cc1oc(C)c(C(=O)N[C@@H](C#N)CC(C)C)c1C 585698602 QWIQODOLPFFGBV-GFCCVEGCSA-N 248.326 2.873 30 20 BFED CCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1C 586797255 YGSZNXLRTJPBTO-MWLCHTKSSA-N 243.310 2.585 30 20 BFED C=CCCSCCNc1ncccc1C#N 596413743 VAYNWGBQOHUJGK-UHFFFAOYSA-N 233.340 2.674 30 20 BFED C=CC[C@@H]1CCCN(c2ncccc2C#N)C1 596428318 SUDNIUYPTFEMLH-GFCCVEGCSA-N 227.311 2.746 30 20 BFED 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860665753 IMLMRBAZLANTBT-UHFFFAOYSA-N 235.283 2.587 30 20 BFED CCCCCCCNC(=O)Cc1ccncc1 862360676 XHVYSVRTUKOSJG-UHFFFAOYSA-N 234.343 2.711 30 20 BFED CC(C)N(C)C(=O)c1ccccc1SCC#N 875114614 ATADGVBPZVTMIE-UHFFFAOYSA-N 248.351 2.783 30 20 BFED C#CCCCCCCNC(C)(C)c1nc(C)no1 877507832 MVEBKGYHBRHGBZ-UHFFFAOYSA-N 249.358 2.786 30 20 BFED C=CC1(OC(=O)c2ccnc(SC)c2)CC1 893363475 AHBIAEAQHFSMJT-UHFFFAOYSA-N 235.308 2.679 30 20 BFED C=CCN(Cc1ccc(O)c(F)c1)C1CC1 893559322 ILKJBTUJQWATMC-UHFFFAOYSA-N 221.275 2.682 30 20 BFED CN(Cc1ccc(O)c(F)c1)CC(C)(C)C#N 894611331 XDWCZRZTHNXQTJ-UHFFFAOYSA-N 236.290 2.513 30 20 BFED Cc1cc(CN2CCC[C@@H](CC#N)C2)cnc1F 895313647 JSLNJOOZTPLNHS-LBPRGKRZSA-N 247.317 2.655 30 20 BFED CCOc1cccc(CN2CCC[C@H](C#N)C2)c1 896501511 BYQYLVHETUQXFI-CQSZACIVSA-N 244.338 2.821 30 20 BFED C#Cc1ccc(NC2CC(OCC)C2)cc1 898505025 JQUMYMLCCOVBQU-UHFFFAOYSA-N 215.296 2.647 30 20 BFED C=C[C@H](CC)Cc1nc(-c2cccnc2)no1 901905911 IBBUCXMGTFBFHV-SNVBAGLBSA-N 229.283 2.886 30 20 BFED CC(C)[C@@H](F)C(=O)N(O)Cc1ccc(F)cc1 904172958 FFUMQQFYBLULQC-LLVKDONJSA-N 243.253 2.538 30 20 BFED CCC[C@@H]1C[C@H]1NC(=O)c1ccsc1C#N 906863906 BOMPHKARGPNKIP-PSASIEDQSA-N 234.324 2.538 30 20 BFED CC[C@@](C)(C#N)C(=O)OCc1cc(C)cc(C)n1 909301325 IVVQHRZSXLZYTL-AWEZNQCLSA-N 246.310 2.682 30 20 BFED C=C[C@@H](CC)CC(=O)O[C@H](C)c1cnccn1 909526448 XTRPJQWKYJGCMB-MNOVXSKESA-N 234.299 2.683 30 20 BFED C=C[C@H](CC)CC(=O)Nc1ccc(OC)c(N)c1 911661748 AQBCVUHGHRIIOC-SNVBAGLBSA-N 248.326 2.818 30 20 BFED C=CCCOCC(=O)OC[C@@H]1CC=CC[C@@H]1C 920818002 VZZFGGJLVVLFLB-STQMWFEESA-N 238.327 2.725 30 20 BFED Cn1ccnc1C(=O)/C=C/c1ccccc1Cl 920963836 USVGWTCQMBQZHB-VOTSOKGWSA-N 246.697 2.970 30 20 BFED C=CC[C@H](C)N[C@H]1CCCC[C@@H]1CCCO 925433080 VTEPFWYJQPILOQ-MJBXVCDLSA-N 225.376 2.872 30 20 BFED C=C[C@@H](CC)CC(=O)N1CC(C(F)(F)F)C1 933764761 YALFZOVPWBKSLP-QMMMGPOBSA-N 235.249 2.609 30 20 BFED C=CCOc1ccc(OC(=O)[C@H](F)CC)cc1 1121037141 CUSCXFBXFCBLSG-GFCCVEGCSA-N 238.258 2.905 30 20 BFED C#CC[C@H](C)OC(=O)/C=C(\C)c1ccco1 1122655833 UTRAHNUCVFYPJS-USKTWTLRSA-N 218.252 2.638 30 20 BFED C=C[C@H](CC)OC(=O)c1nn(C)c2ccccc12 1122735838 OJPAZEKYZNRYCY-SNVBAGLBSA-N 244.294 2.695 30 20 BFED C=C(CC)C(=O)N1CC[C@H](Oc2ccccc2)C1 1123811258 RIWROCTYQYNHMN-AWEZNQCLSA-N 245.322 2.633 30 20 BFED C[C@@H](C#N)Sc1nc2ccc(F)cc2o1 1190139392 URGCXFNNVNPOFU-LURJTMIESA-N 222.244 2.971 30 20 BFED N#CCc1cccc(Nc2nccs2)c1 1210997422 OPXOUCMJGCSGRG-UHFFFAOYSA-N 215.281 2.953 30 20 BFED CC(C)CNN=C1CCN(C2CCCC2)CC1 1319752809 NCHYIKJRBIXVLF-UHFFFAOYSA-N 237.391 2.626 30 20 BFED Cc1coc(C(=O)NC2(C#N)CCCCC2)c1C 1323531690 CMLASSNTXAYQQT-UHFFFAOYSA-N 246.310 2.853 30 20 BFED N#Cc1cc(C(=O)OCCCCF)cs1 1324668521 FBWMNHRYRSIGLD-UHFFFAOYSA-N 227.260 2.526 30 20 BFED C=CCCCCN1CC[C@](CO)(C(C)C)C1 1328002657 WWEDLHWSZJSZPB-AWEZNQCLSA-N 225.376 2.683 30 20 BFED C=C(C)c1cnc(CNC(=O)OC(C)(C)C)nc1 1336119054 NGIUSUGCQKNKQK-UHFFFAOYSA-N 249.314 2.534 30 20 BFED C=C(C)CCC(=O)N1CCOC[C@@H]1c1ccco1 1337142041 KNYVKYJGUSSFCX-GFCCVEGCSA-N 249.310 2.536 30 20 BFED C=C[C@@H](COC)NC(=O)C1(C)CCCCCC1 1342762425 KBWDAWXDJDJVHM-LBPRGKRZSA-N 239.359 2.664 30 20 BFED CC1(COC(=O)c2csc(C#N)c2)CCC1 1514795167 XINMFKHTPAHGLD-UHFFFAOYSA-N 235.308 2.967 30 20 BFED C=CCNc1cc(C(CC)CC)ncn1 1537960541 UMVPSCMKFVVOGC-UHFFFAOYSA-N 205.305 2.978 30 20 BFED O=C(O)CSCC#Cc1cccc(Cl)c1 1574904617 DMIUWVGZESSRMN-UHFFFAOYSA-N 240.711 2.509 30 20 BFED C#CCCCCCNC1(CC(=O)O)CCCC1 1602705037 CNKPZHQYUPPVHE-UHFFFAOYSA-N 237.343 2.557 30 20 BFED C=CC[C@H](Nc1cccc(CC)c1)C(=O)O 1602844441 BTAKOSRDRKJHSG-LBPRGKRZSA-N 219.284 2.690 30 20 BFED Cc1cccnc1[C@@H](C)Nc1ncccc1C#N 1651511966 FGIRZICUTGQWKS-LLVKDONJSA-N 238.294 2.830 30 20 BFED CCCCN(CC)C(=O)c1ccc(C#N)cc1 19802893 FBYDYCZPEKUNJR-UHFFFAOYSA-N 230.311 2.820 30 20 BFED N#Cc1ccc(CNCc2ccccc2)c(F)c1 20038328 HEUFCQGCFPHXRG-UHFFFAOYSA-N 240.281 2.987 30 20 BFED N#CCCCNCc1ccccc1Cl 20045602 YAVOGYONTSNMKZ-UHFFFAOYSA-N 208.692 2.733 30 20 BFED N#CC1CCN(Cc2ccccc2F)CC1 32013268 GEZPZUNXYDXUMF-UHFFFAOYSA-N 218.275 2.561 30 20 BFED CC[C@@H](C)N(C)CCOc1ccccc1C#N 34674619 JBWVTJMGYMQGKV-GFCCVEGCSA-N 232.327 2.667 30 20 BFED C#CCNc1ncc(C(F)(F)F)cc1Cl 47948252 FNTZJOAFFFGAJF-UHFFFAOYSA-N 234.608 2.799 30 20 BFED C[C@H](Cc1ccsc1)NCCCC#N 49182437 YHESLXSNSPSAON-SNVBAGLBSA-N 208.330 2.572 30 20 BFED C[C@@H](CC#N)N(C)CCc1cccs1 49814346 IIKJAELGPGZZJH-JTQLQIEISA-N 208.330 2.525 30 20 BFED N#Cc1ccc(N2CC[C@@H](c3ccccc3)C2)nc1 50266880 KWSOAQLURHMERA-OAHLLOKOSA-N 249.317 2.947 30 20 BFED CC[C@H](CC#N)NCCc1cccc(C)c1 51669921 SKIPWEUCZPNEOU-CQSZACIVSA-N 216.328 2.819 30 20 BFED Cc1cccc([C@@H]2CCCN2CC#N)c1 55910312 JWHUORJCISNMRC-ZDUSSCGKSA-N 200.285 2.656 30 20 BFED Cc1ccc(C(=O)N[C@@H](C)CC#N)cc1Cl 63021690 KSEBWWVZNFQNDB-VIFPVBQESA-N 236.702 2.680 30 20 BFED CC(C)CC(=O)Oc1ccc(C#N)cc1 66324664 FPGRZUQTMNLYQN-UHFFFAOYSA-N 203.241 2.510 30 20 BFED C=CCN(CC1CCCCC1)C(=O)c1cnc[nH]1 69973635 YDMRHIAZWMEFCO-UHFFFAOYSA-N 247.342 2.618 30 20 BFED CCN(Cc1cccc(Cl)n1)C[C@@H](C)C#N 75678175 IWQVTBHLCRZPOH-JTQLQIEISA-N 237.734 2.717 30 20 BFED C=CCCNc1ccc(C(=O)NCC)cc1C 77245389 FTEUBJYDMPITHK-UHFFFAOYSA-N 232.327 2.733 30 20 BFED C=CCCCC(=O)Nc1cnc2ccccc2n1 79546373 FZPYBGZFPMOSRV-UHFFFAOYSA-N 241.294 2.925 30 20 BFED Cc1ccccc1CN1CCC[C@H](C#N)C1 79827993 CWNIIHYUERSIKM-CYBMUJFWSA-N 214.312 2.731 30 20 BFED C[C@H]1CCCC[C@H]1N(C)c1cccc(C#N)n1 81618543 JSAYUWKKLHUQPF-WCQYABFASA-N 229.327 2.968 30 20 BFED C=CCCCN[C@@H](C)c1c(C)noc1C 86110437 AFIPKCVKZCSWBT-VIFPVBQESA-N 208.305 2.908 30 20 BFED C[C@H](NCC1(O)CCCC1)c1ccc(C#N)cc1 87015938 VVZFKUDASDERPG-LBPRGKRZSA-N 244.338 2.514 30 20 BFED Cc1cscc1C(=O)[C@H](C#N)c1ccccn1 94342821 BVHPTBHCVFUBNL-SNVBAGLBSA-N 242.303 2.942 30 20 BFED CC[C@@H](C)CN(C)c1ccc(C#N)c([N+](=O)[O-])c1 94592842 NZMKGQNDOOAYHS-SNVBAGLBSA-N 247.298 2.949 30 20 BFED C[C@@H](C1CC1)N(C)c1ccc(C#N)c([N+](=O)[O-])c1 94592871 JDKGXHSMLQURKM-VIFPVBQESA-N 245.282 2.701 30 20 BFED C=CCNC(=S)NCCCCCCC 112059963 GPOQTTWBXIKKQK-UHFFFAOYSA-N 214.378 2.607 30 20 BFED C=CCCC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 120157951 AKPZAELHMWGATB-CWRNSKLLSA-N 241.334 2.797 30 20 BFED CN(CC#N)Cc1csc(-c2cccs2)n1 120781930 VPNMXWYSCGGSTI-UHFFFAOYSA-N 249.364 2.827 30 20 BFED CCOc1ccc(OC)cc1N[C@@H](C#N)CC 122233607 DYRRPPMEAVYSGD-SNVBAGLBSA-N 234.299 2.808 30 20 BFED C=C(Cl)CN[C@@H](COC)Cc1ccccc1 129787488 SDKJNYLODMWVML-CYBMUJFWSA-N 239.746 2.586 30 20 BFED C[C@@H](CN(C)C)Nc1ccc(Cl)cc1C#N 130428125 CTBXWSZASGPONI-VIFPVBQESA-N 237.734 2.574 30 20 BFED C=CCC[C@@H](O)CN1CC[C@H](CC(C)C)C1 132709570 YSRLFLUZTPEHAN-ZIAGYGMSSA-N 225.376 2.682 30 20 BFED C=C[C@@](C)(CC)C(=O)N1CCS[C@H](C)C1 135020322 VUOPTRNUDMCRRC-PWSUYJOCSA-N 227.373 2.553 30 20 BFED CC[C@H]1CC[C@@H](C)N1CC1(CC#N)CC1 136158875 CEZOCWHXJZMKRT-NEPJUHHUSA-N 206.333 2.943 30 20 BFED CC#CCNC(=O)c1cc2cc(Cl)ccc2[nH]1 154461661 QTRDZSBOIPXYFQ-UHFFFAOYSA-N 246.697 2.574 30 20 BFED N#Cc1ccc(N[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)nc1 155302509 DPADBFIXENLXAW-CWRNSKLLSA-N 247.301 2.703 30 20 BFED C=CCCNc1cc2c(cc1F)NC(=O)CC2 155796411 YAUBIUFLLKFEIK-UHFFFAOYSA-N 234.274 2.698 30 20 BFED CC#CCN(C)CCCc1ccccc1 159240316 VXKADFPCDAQKAE-UHFFFAOYSA-N 201.313 2.574 30 20 BFED CCCCCCCC(=O)N[C@H](CCO)C(C)C 160632679 QUZFKAORESFTRW-CYBMUJFWSA-N 243.391 2.870 30 20 BFED CC[C@](C)(C#N)NC(=O)CCc1ccccc1F 162122809 SSDOMVLUHXKJIY-CQSZACIVSA-N 248.301 2.567 30 20 BFED C=CC[C@H](C)NC(=O)c1cnc(C(C)C)s1 162785107 HIUGCZZTEPRNQM-VIFPVBQESA-N 238.356 2.961 30 20 BFED C#C[C@H](C)NC(=O)CC12CC3CC(CC(C3)C1)C2 163427572 PPNKWXDQZDGOIL-IKMFHRHGSA-N 245.366 2.731 30 20 BFED CC[C@H](CSC)N(C)C(=O)[C@](C)(C#N)CC 167494175 GLRFUSXJGFBZLZ-PWSUYJOCSA-N 242.388 2.526 30 20 BFED C=C(Cl)CN(C)Cc1ccc(O)c(OC)c1 170915680 RKMYOAXKPVEVMU-UHFFFAOYSA-N 241.718 2.585 30 20 BFED CCC[C@@H](CCO)CNCC(C)(C)CCC#N 173848161 GMXDKQDFXUVYHA-ZDUSSCGKSA-N 240.391 2.705 30 20 BFED C=C(Br)COC(=O)C=C1CCC1 176831095 WVSJYUHQYAPROC-UHFFFAOYSA-N 231.089 2.549 30 20 BFED C[C@H](NC(=O)CC#N)c1cc2ccccc2s1 185567450 VPGLXKKNEOYCQZ-VIFPVBQESA-N 244.319 2.992 30 20 BFED CC[C@H](C)CC(=O)Oc1ccc(C#N)cc1 192190965 PJZHASXTRJTHLL-JTQLQIEISA-N 217.268 2.900 30 20 BFED Cc1ccnc(N[C@H]2CCC[C@H](C#N)C2)c1 193073519 PCADONNKKIDLJV-RYUDHWBXSA-N 215.300 2.884 30 20 BFED C=CCCCC(=O)OCc1cc(C)sn1 193548670 DJPCJQQKRVZGGT-UHFFFAOYSA-N 225.313 2.851 30 20 BFED N#CCOc1cccc(NC[C@@H]2CCSC2)c1 224351254 SSXYCQUJAARDTA-NSHDSACASA-N 248.351 2.754 30 20 BFED CC[C@@](C)(C#N)NC(=O)[C@@H](C)c1ccccc1 228880275 BHTXRZIEJGWFEH-FZMZJTMJSA-N 230.311 2.599 30 20 BFED CO[C@]1(C)CCCN(c2cccc(F)c2C#N)C1 230264874 KLYHSIYBZMAURW-CQSZACIVSA-N 248.301 2.703 30 20 BFED CC[C@@H](Sc1ccc(C)cc1C#N)C(=O)O 233899725 OSFUFKMBKZCXTC-SNVBAGLBSA-N 235.308 2.822 30 20 BFED C=CCCCCCN1CCC(CC(=O)O)CC1 236422395 GFTSCAFFILKXJS-UHFFFAOYSA-N 239.359 2.920 30 20 BFED C=C(Br)CN1CC[C@H](C)[C@@H]1C 247106549 DNPKQXALBYICTN-CBAPKCEASA-N 218.138 2.625 30 20 BFED C[C@H]1CC[C@H](Nc2ccc(C#N)nc2)CC1 253177107 ARPBQESAEJVWII-XYPYZODXSA-N 215.300 2.944 30 20 BFED CCc1ccc(C(=O)/C=C\c2csnn2)o1 255392709 AJKYMVDMYGSURH-HYXAFXHYSA-N 234.280 2.590 30 20 BFED C/C(=C/C(=O)N[C@@H](C)CC#N)c1ccccc1 255900050 MJDOXKSBTRAYDR-WEHUKYGOSA-N 228.295 2.508 30 20 BFED N#Cc1ccc2c(c1)[C@@H](NC1CCC1)CC2 260655829 VVDBVJZZKHIMBW-AWEZNQCLSA-N 212.296 2.688 30 20 BFED CC(C)(C)[C@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 272353093 QYSYYWXLKHRABI-GFCCVEGCSA-N 245.326 2.537 30 20 BFED CC#CCCn1nc(C)c2cc([N+](=O)[O-])ccc21 274042765 DNKVOFGKVGGRKY-UHFFFAOYSA-N 243.266 2.666 30 20 BFED C=CCN(C)C[C@@H](O)c1ccc(F)cc1Cl 275063807 REEXUYJHIVXIDS-GFCCVEGCSA-N 243.709 2.630 30 20 BFED CC#CC(=O)N[C@@H](CC(C)C)c1ccccc1 277544180 VOOKSHZWHSRSSP-AWEZNQCLSA-N 229.323 2.913 30 20 BFED CC(=O)OCCCSCc1ccccc1C#N 278702267 QYYZJZPVDLWXDX-UHFFFAOYSA-N 249.335 2.745 30 20 BFED C=CC[C@@H](CC)NC(=O)Nc1nccs1 281388721 OXXXYJGRAVWBAQ-MRVPVSSYSA-N 225.317 2.619 30 20 BFED C=CCNC(=O)[C@H](C)SCCCCCF 285339681 VBZGWOSUQXMBAQ-JTQLQIEISA-N 233.352 2.550 30 20 BFED C=CC(C)(C)C(=O)NCCCOc1ccccc1 294577646 XVKROVBPHJFYRM-UHFFFAOYSA-N 247.338 2.784 30 20 BFED C=CCC[C@H](O)Cn1cnc2c1C[C@@H](C)[C@H](C)C2 295036228 AASOOHHAZKWFHU-UPJWGTAASA-N 248.370 2.581 30 20 BFED CCN(CCO[C@@H](C)C#N)C1CCCCC1 304206227 CXRVZTWVYMGZJM-LBPRGKRZSA-N 224.348 2.570 30 20 BFED C=CCCCCNCc1cccnc1C 309013984 QGCMSOQCFGMVEJ-UHFFFAOYSA-N 204.317 2.836 30 20 BFED C#C[C@H](CC)N[C@H]1CS[C@H](C(C)(C)C)C1 309090180 BXAPWFYGGZEAHR-UTUOFQBUSA-N 225.401 2.908 30 20 BFED N#CC1(CNC/C=C\c2ccccc2)CC1 309548871 FEHLYLBLIYBECP-DAXSKMNVSA-N 212.296 2.593 30 20 BFED C=CCC[C@H](CO)N[C@@H]1CC(C)(C)C[C@H]1C 320304804 SSKXRXNLRHUENB-JHJVBQTASA-N 225.376 2.728 30 20 BFED N#C[C@@H](/N=C(/O)c1cccnc1C1CC1)C1CC1 329668775 SDAJRKHEUHYISQ-GFCCVEGCSA-N 241.294 2.566 30 20 BFED C[C@H](Nc1ccc(C#N)cc1)[C@H]1CCCCO1 334206470 ZMXNLYSNJMWJMI-SMDDNHRTSA-N 230.311 2.928 30 20 BFED N#CCCNC(=O)Nc1cccc(F)c1Cl 334260617 RXZUTTZXDUGYFK-UHFFFAOYSA-N 241.653 2.514 30 20 BFED Cc1ccc(C#N)cc1NC(=O)c1c[nH]cc1C 334355373 KUHRZNWWCCPHNY-UHFFFAOYSA-N 239.278 2.756 30 20 BFED C=C[C@H](C)NC(=O)N1CCC=C(c2ccco2)C1 334508824 KYXRPLKCNQLZCX-NSHDSACASA-N 246.310 2.653 30 20 BFED CC#CCN(C)C(=O)Nc1ccc(C)c(F)c1 334921828 GXLZRWFTVMDECO-UHFFFAOYSA-N 234.274 2.621 30 20 BFED C[C@@H]1CC=C(C(=O)N2CCC(C)(C#N)CC2)CC1 335148049 RCXUDYAPCRELRM-GFCCVEGCSA-N 246.354 2.885 30 20 BFED C[C@H]1CCCN(C(=O)c2ccc(C#N)s2)CC1 335336189 LBOXHGNPCMMWSQ-JTQLQIEISA-N 248.351 2.882 30 20 BFED C=C[C@@H]1CCCCN1C(=O)NC1CC(C)C1 336107354 FGTLQMPDVYHBIN-HTAVTVPLSA-N 222.332 2.535 30 20 BFED Cc1ccc(CN(C)C(=O)[C@]2(C#N)C[C@@H]2C)s1 336249386 JMIQHKQEOWQFHY-ZANVPECISA-N 248.351 2.565 30 20 BFED C=CC[C@H](CO)CN[C@@H](C)CCC(C)C 336675935 AMYFCQWVWXJYNM-STQMWFEESA-N 213.365 2.585 30 20 BFED Cc1ccnc(NCCC2(C)CC2)c1C#N 336717775 WZOFPHFBJKXMEX-UHFFFAOYSA-N 215.300 2.864 30 20 BFED C[C@@H]1CCCCN([C@@H]2CC[C@H](C#N)C2)C1 339099257 SDQBEAXGDXMSHX-FRRDWIJNSA-N 206.333 2.801 30 20 BFED C=CCc1ccccc1OCC1(O)CCC1 339334873 OYFKGYHKCINQMI-UHFFFAOYSA-N 218.296 2.709 30 20 BFED N#CC1(CN2CC[C@@H](Cc3ccccc3)C2)CC1 343307557 YEPSBTCGUBUGOH-HNNXBMFYSA-N 240.350 2.855 30 20 BFED COCC1(C)CCN(CCC(C)(C)C#N)CC1 345949707 JKTBVCQMYYRFHX-UHFFFAOYSA-N 238.375 2.675 30 20 BFED CC(C)[C@H](C#N)NC(=O)C[C@H](C)c1ccccc1 347288421 OEKXLVLKDYSAKO-JSGCOSHPSA-N 244.338 2.845 30 20 BFED CCC[C@H](C)CN1CCC(F)(C#N)CC1 348707732 JSZGGKPPLCRZLH-NSHDSACASA-N 212.312 2.750 30 20 BFED C=CCCc1noc(-c2ccc3c(c2)COC3)n1 351129835 LTUCTVIEKXACPY-UHFFFAOYSA-N 242.278 2.885 30 20 BFED CC[C@H](C)CCC(=O)N[C@@H](CC)CC#N 354695003 OVMDOCXYSSCDOG-QWRGUYRKSA-N 210.321 2.621 30 20 BFED CC[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CC#N 355677512 WYUAYYZCIVGEKF-XQQFMLRXSA-N 236.359 2.963 30 20 BFED C=CCCCNC(=O)[C@@H](C)c1cccc(C#N)c1 360470627 VPSQNIQFAMNZAV-LBPRGKRZSA-N 242.322 2.744 30 20 BFED C=C[C@](C)(CCOC)C(=O)N1[C@H]2C=CC[C@H]1CC2 375346325 WSVLDDYSFGYNFJ-KCQAQPDRSA-N 249.354 2.535 30 20 BFED C=CC(C)(C)CN[C@@H]1CCCc2c1cnn2C 384919117 GDTQNPPPDWQIGX-GFCCVEGCSA-N 233.359 2.599 30 20 BFED C#CCSCCN[C@@H]1CCCC12CCC2 394871240 SMHVRBGZFHJGLV-GFCCVEGCSA-N 223.385 2.665 30 20 BFED C#C[C@@](C)(CC)NC(=O)Nc1ccc(C)cc1 395233867 SEAGXYSRGUPQJA-AWEZNQCLSA-N 230.311 2.918 30 20 BFED C#C[C@](C)(CC)NC(=O)c1cccc(F)c1C 398908846 NSIHAFGIWLJXMX-CQSZACIVSA-N 233.286 2.666 30 20 BFED CC1(CC(=O)Nc2ccc(CC#N)cc2)CC1 401343839 LOSJDQKILKRZQP-UHFFFAOYSA-N 228.295 2.881 30 20 BFED CC(C)(C#N)CN[C@H](C1CCC1)C1CC1 405184490 HKQOGLWNYNZZFN-GFCCVEGCSA-N 206.333 2.704 30 20 BFED C#C[C@](C)(CC)NC(=O)CC(C)(C)C1CC1 405796441 IMLIRAKSPQYZCK-CQSZACIVSA-N 221.344 2.731 30 20 BFED C=CCCCN(C)C(=O)[C@H](C)CC(F)F 412138293 YYGLZMZTBXASFN-SECBINFHSA-N 219.275 2.702 30 20 BFED Cc1ccnc(N[C@H]2C[C@@H](OC(C)C)C2)c1C#N 413386204 UJXAFSMREXSYIU-TXEJJXNPSA-N 245.326 2.630 30 20 BFED C=CCN1CCC(N[C@H](CC)[C@@H]2C[C@@H]2C)CC1 414131652 YBDOBVOGJILAEY-NWANDNLSSA-N 236.403 2.661 30 20 BFED CCC1(c2ccccc2)CN(CCC#N)C1 414135250 DLXIQYQXHYAWLF-UHFFFAOYSA-N 214.312 2.564 30 20 BFED CCN(C[C@H](C)C#N)C[C@@H](CC(C)C)OC 419191442 OEDPBELTUFXDOD-CHWSQXEVSA-N 226.364 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CCC[C@H](C)CC(=O)N1CCC[C@](C)(C#N)C1 612251488 PYEUFGJUUYLXIT-GXTWGEPZSA-N 236.359 2.965 30 20 BFED Cc1cccc([C@@H](C)N2CC[C@@](F)(C#N)C2)c1 615640202 WJBZWIVXZZKXFI-TZMCWYRMSA-N 232.302 2.994 30 20 BFED C=CC[C@@H]1CCCN(C(=O)CC(F)(F)F)C1 617785579 LUESKNMHWDQMFU-SECBINFHSA-N 235.249 2.754 30 20 BFED C=CCCC(=O)NCc1cc(C)cc(C)c1 618160817 SAZBCXZCCFGACP-UHFFFAOYSA-N 217.312 2.886 30 20 BFED C=CC(C)(C)C(=O)N(C)Cc1ccsc1 648094462 ZHTLEDWWURCCOW-UHFFFAOYSA-N 223.341 2.919 30 20 BFED C=CC[C@@H]1CCCN(C(=O)NCCCC)C1 656544677 SLRBKBMCUFIDME-GFCCVEGCSA-N 224.348 2.784 30 20 BFED C=CC[C@H]1CCCN([C@H](C)c2cnccn2)C1 661383457 DAZALNYITDAYAY-OLZOCXBDSA-N 231.343 2.826 30 20 BFED C=CCN(CCOCC1CC1)C(C)(C)C 661756149 DSYQHSZUUGAMOB-UHFFFAOYSA-N 211.349 2.700 30 20 BFED C=C[C@@H]1CCCCN1C(=O)NCCC(C)(C)F 666431196 NDLRSTDYYFFVOL-LLVKDONJSA-N 242.338 2.875 30 20 BFED C=CCCOCC(=O)NCC1(CCC)CCC1 675172831 BKGVAQPWDMVVFZ-UHFFFAOYSA-N 239.359 2.666 30 20 BFED C=C[C@H]1CCCCN1C(=O)Nc1ccc(C)nc1 683742599 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BFED CCCCCCCCNC(=O)[C@H](CC)N(C)C 755216625 UYRKDCAGFBUYEZ-ZDUSSCGKSA-N 242.407 2.803 30 20 BFED C=CCCOC(=O)c1c(F)cc(C#N)cc1F 756236906 UWQQEEHPCIGGHG-UHFFFAOYSA-N 237.205 2.569 30 20 BFED C#CCNC(=S)Nc1cccc2ccsc12 758253420 VBLOVTCEOWHWBD-UHFFFAOYSA-N 246.360 2.821 30 20 BFED N#Cc1cc(COC(=O)CC2CCC2)ccc1F 758951363 AFBGOZRFFGLZJH-UHFFFAOYSA-N 247.269 2.931 30 20 BFED CC(=NNc1cnn(C)c1)c1ccc(C)c(C)c1 761865768 MUYYWTOMRXEWLM-UHFFFAOYSA-N 242.326 2.873 30 20 BFED C#CCCc1noc(/C=C/c2cnc(C)s2)n1 762016273 KKRSLDFSXHTSBB-VOTSOKGWSA-N 245.307 2.571 30 20 BFED C#CC(=O)N[C@H]1c2ccccc2CC[C@@H]1C(C)C 765747828 ZQGQVJORQRLVMU-CZUORRHYSA-N 241.334 2.696 30 20 BFED C[C@H](C=NOCc1cccnc1)CCC#N 766025928 PDKOOLCGUFMTJC-NSHDSACASA-N 217.272 2.524 30 20 BFED CC[C@H]1C[C@H](C)CCC1=NNC1CCOCC1 769584926 KTIDJBHKXTZSEM-NEPJUHHUSA-N 238.375 2.957 30 20 BFED C=CCN(C(=O)C(F)=C1CCCC1)C1CC1 772896214 UKNGDQLWWRVPIH-UHFFFAOYSA-N 223.291 2.961 30 20 BFED C[C@@H]1OCCC1=NN[C@H]1CCCCC1(C)C 773125652 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2.910 30 20 BFED C[C@H]1CCCC1=NNc1cccc(F)n1 795008144 WYRANEWDJJPOIT-QMMMGPOBSA-N 207.252 2.809 30 20 BFED C#Cc1ccc(C(=O)OC[C@@H](C)CC(C)C)nc1 798612292 KSSPJUJRYBFMRA-LBPRGKRZSA-N 245.322 2.902 30 20 BFED CCc1cccc(C)c1NN=Cc1csnn1 799493598 IKGWUSQKRDIVMQ-UHFFFAOYSA-N 246.339 2.855 30 20 BFED C[C@@H]1CC[C@@H](C=NN=c2cc[nH]cc2Cl)C1 800813790 JNGYHXIKYZEZCK-NXEZZACHSA-N 237.734 2.991 30 20 BFED Fc1cccc(C=NOCCOC2CCC2)c1 808245632 RALTUPISRUCVEI-UHFFFAOYSA-N 237.274 2.745 30 20 BFED C=CC[C@H](C)NC(=O)C1(F)CCCCC1 810415160 NWWSHEAIJRVYCD-JTQLQIEISA-N 213.296 2.740 30 20 BFED COCCON=C(C)c1nccc2ccccc12 811643882 MGFYMHPGFRLHKG-UHFFFAOYSA-N 244.294 2.622 30 20 BFED C=CC[C@H](CC)Nc1nccc(N2CCCC2)n1 811842649 GJOTXKAFWNTYEP-LBPRGKRZSA-N 246.358 2.843 30 20 BFED Cc1nn(C)c(C)c1C=NNc1ccccc1F 812460671 SMPFYMTZDXLYHL-UHFFFAOYSA-N 246.289 2.622 30 20 BFED CC(=NOCC1CC1)c1cc(F)cc(F)c1O 814243155 IPQHTQBOZUAFPW-UHFFFAOYSA-N 241.237 2.821 30 20 BFED CC#CCOc1cccc(Cl)c1[N+](=O)[O-] 814774558 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CCCC[C@@H](C)OC(=O)c1cc(C#N)[nH]c1C 835227513 JKTGENXJVGGDIM-SECBINFHSA-N 234.299 2.930 30 20 BFED CC[C@H](CC#N)OC(=O)CC1CC(F)(F)C1 835340720 PACPZNOONDRCOK-SECBINFHSA-N 231.242 2.657 30 20 BFED CC#CCCCC(=O)OC[C@H](C)CSC 835682531 MBUIKWFRKFNCDN-NSHDSACASA-N 228.357 2.722 30 20 BFED N#Cc1c[nH]c(C(=O)N2CCCCCCCC2)c1 836238526 ONZDSSKYJPVSDR-UHFFFAOYSA-N 245.326 2.683 30 20 BFED C#Cc1cccc(NC(=S)NC2(CC)CC2)c1 840785837 VHBCFDGNSLDQOI-UHFFFAOYSA-N 244.363 2.897 30 20 BFED C=C[C@@H](CC)OC(=O)CCc1scnc1C 842328609 GSPDXESSJSZXKN-JTQLQIEISA-N 239.340 2.892 30 20 BFED C#CC[C@@H](OC(=O)C1CC2(CCC2)C1)C1CC1 842730228 DMOJMVBTKKBVJA-CYBMUJFWSA-N 232.323 2.912 30 20 BFED CC(C)C[C@H](C#N)NC(=O)/C=C/C1CCCC1 843569676 FVHQWLYMVMOPOB-SBDDDAINSA-N 234.343 2.787 30 20 BFED C#C[C@H](NC(=O)C(C)=C(C)C)c1ccccc1 843641896 LIUFKUKEVIWKSP-AWEZNQCLSA-N 227.307 2.833 30 20 BFED Cc1cc(C#N)ccc1N[C@@H](C)c1ccn(C)n1 846750047 METVRLFWGRGNRD-NSHDSACASA-N 240.310 2.773 30 20 BFED C=C(Cl)CN(CC)[C@@H](C)C(=O)OC(C)(C)C 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20 BFED C/C(=C/C(C)(C)C)C(=O)Nc1n[nH]c(C)c1C#N 869371513 UFTRZPDTBWTIHJ-VURMDHGXSA-N 246.314 2.521 30 20 BFED C=CCCOc1cccc(C(C)=O)c1F 871716349 KXKDMSAMIQHPTG-UHFFFAOYSA-N 208.232 2.983 30 20 BFED CC1(C)CC(=NNc2ncccc2F)CCO1 872373104 ZMHBMBNCIIIHOT-UHFFFAOYSA-N 237.278 2.578 30 20 BFED CCC[C@@H](CC)C(=O)N(C)[C@@H](C#N)CC 875815010 VVFPJGJSCOKIAC-GHMZBOCLSA-N 210.321 2.573 30 20 BFED Cc1ccc([C@H](O)CNC[C@@H](C)CCC#N)cc1 876959276 IIOJDUFFZUOBHZ-DZGCQCFKSA-N 246.354 2.558 30 20 BFED Cc1coc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1 889722030 REVWCZWOGPVDAW-IINYFYTJSA-N 246.310 2.790 30 20 BFED C#CCCCCCC(=O)NC(C)(C)CSC 890874466 RVTLGFFIYLKINP-UHFFFAOYSA-N 241.400 2.828 30 20 BFED C#CCSCC(=O)Oc1cccc(C2CC2)c1 891983006 XTKVSEKXOMADMO-UHFFFAOYSA-N 246.331 2.836 30 20 BFED C=C(Cl)CN[C@H](C)CSCCC 893351138 PUVYHDWUMNTCRH-SECBINFHSA-N 207.770 2.860 30 20 BFED C=CCC(CC=C)C(=O)N(C)CCCF 895292224 NJZUXMOWDJWUGW-UHFFFAOYSA-N 213.296 2.573 30 20 BFED C[C@H]1CSC(SCc2cc(C#N)ccn2)=N1 901526809 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C=CC(C)(C)CC(=O)OCCc1ccncc1 1263666678 UYZDHWINTYGFMV-UHFFFAOYSA-N 233.311 2.770 30 20 BFED CN(C)c1ccc(C=NOC(C)(C)C)s1 1319578019 ROBXIOPXBOQWSI-UHFFFAOYSA-N 226.345 2.963 30 20 BFED C=CCCC(=O)N(C)[C@H]1CC[C@H](SC)C1 1319606917 UTDUPJUVWGJOJP-QWRGUYRKSA-N 227.373 2.695 30 20 BFED CC[C@H](NC(=O)c1csc(C#N)c1)C1CC1 1328495912 WZNJUAFJIJZYQB-NSHDSACASA-N 234.324 2.538 30 20 BFED Cc1cc(C#N)cc(NC(=O)C=C2CCCC2)n1 1331800035 ILKCXGWYPAROCY-UHFFFAOYSA-N 241.294 2.701 30 20 BFED Cc1ccc(NC/C=C\C2CC2)c(C#N)n1 1333571563 VNNPLMSWNBQXRA-IHWYPQMZSA-N 213.284 2.640 30 20 BFED C[C@H]1CCC(=NNc2ccc(C#N)cn2)C1 1333670224 NVTDOOWEBCKUOW-VIFPVBQESA-N 214.272 2.541 30 20 BFED C#CCN(C(=O)C=C)[C@H]1CCCc2ccccc21 1335867637 WQOSEHREVVNFKE-HNNXBMFYSA-N 239.318 2.712 30 20 BFED C#Cc1ccc(NCC2CC(C)C2)nc1 1336687009 XHRYUOBZLKSHKD-UHFFFAOYSA-N 200.285 2.521 30 20 BFED N#C[C@H](C(=O)C=C1CCC1)c1cccc(F)n1 1343313330 ZSWOLJGMNFLOJR-JTQLQIEISA-N 230.242 2.507 30 20 BFED C=C(C)CCC(=O)N[C@H](C)Cc1cccc(O)c1 1353668237 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CC[C@@H]1CCCN(C(=O)c2sccc2C#N)C1 52034883 AOKVOSGTROLSIF-SNVBAGLBSA-N 248.351 2.882 30 20 BFED CC[C@H](CC#N)NC(=O)C(C)(C)c1ccccc1 54177436 PJLNMUJQUJNHNP-CYBMUJFWSA-N 244.338 2.773 30 20 BFED N#CC1CCN(C(=O)/C=C/c2ccsc2)CC1 61585428 AHFHSJOCMHSBMW-OWOJBTEDSA-N 246.335 2.523 30 20 BFED Cc1cccc(OCCN(C)[C@@H](C)CC#N)c1 64931631 NOYMWHXGGCCNGL-ZDUSSCGKSA-N 232.327 2.608 30 20 BFED C#CCN(CCCCOC)Cc1ccccc1 65165549 JVYJQCKSEJWSDB-UHFFFAOYSA-N 231.339 2.548 30 20 BFED C[C@@H]1CCCCN1C(=O)Cc1ccc(C#N)cc1 70158569 PFKGLCYURSJRGJ-GFCCVEGCSA-N 242.322 2.502 30 20 BFED CCCN(Cc1ccc(C#N)cc1)C[C@H](O)CC 75626798 UXQWHCLRGGZKGE-OAHLLOKOSA-N 246.354 2.541 30 20 BFED CCSCCOc1ccc(C#N)cc1OC 78791854 FMOOOIVUJCKVCI-UHFFFAOYSA-N 237.324 2.699 30 20 BFED Cc1ccc(F)cc1C(=O)N1CCC[C@H](C#N)C1 79826935 NMOGKVOOAIUZLF-LLVKDONJSA-N 246.285 2.510 30 20 BFED N#Cc1csc(CNCCC(F)(F)F)c1 86500359 YWPZCAYBVJRKBQ-UHFFFAOYSA-N 234.246 2.662 30 20 BFED C[C@H](C#N)N(C)C(=O)C1CCCCCCC1 86579708 ZOGNEMWNNICZSP-LLVKDONJSA-N 222.332 2.717 30 20 BFED CCCCCCCN1CCC(C(=O)OC)CC1 88211608 KDXDNUPIKJQWRI-UHFFFAOYSA-N 241.375 2.842 30 20 BFED C#CCCOC(=O)c1csc(-c2ccoc2)n1 108625071 FSHVTMZPLAQOQW-UHFFFAOYSA-N 247.275 2.583 30 20 BFED C=CCOC(=O)c1cccc(Cl)c1F 122254391 ZSXMXKWXYCVHNU-UHFFFAOYSA-N 214.623 2.822 30 20 BFED C=C(C)CNC(=O)Nc1nc(C2CC2)cs1 122411258 AJEUXFMCQZQZTE-UHFFFAOYSA-N 237.328 2.718 30 20 BFED C=C(C)CN[C@H]1CCc2ccc(OC)cc2C1 122564108 UHUXDUQEKMFWLE-AWEZNQCLSA-N 231.339 2.718 30 20 BFED C=CCN(CC(F)(F)F)C(=O)[C@@H]1C[C@]1(C)CC 123698052 HNUKTOGNPZGYMA-ONGXEEELSA-N 249.276 3.000 30 20 BFED Cc1ccc(CNCc2cccc(C#N)c2)nc1 126976382 RYNMEQRETCWVRI-UHFFFAOYSA-N 237.306 2.552 30 20 BFED C=C[C@@H](C)NC(=O)N[C@H]1C[C@@H]2C[C@@H]1[C@H]1CCC[C@H]21 128106632 SGLZOGTYFUNXOF-WZBKEBKWSA-N 248.370 2.685 30 20 BFED Cc1ccnc(N[C@@H]2CC[C@H](C)C2)c1C#N 129195183 INHCCAWHWULAAW-GXSJLCMTSA-N 215.300 2.862 30 20 BFED C[C@@H](NCC1CC1)c1ccc(C#N)c(F)c1 134002684 WVAUDCWMUUWGOE-SECBINFHSA-N 218.275 2.758 30 20 BFED 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2.567 30 20 BFED C#CCCCNC(=O)c1ccc(Cl)c(C)c1 177014339 OCHKPNRMOHZUSL-UHFFFAOYSA-N 235.714 2.792 30 20 BFED C#CCNc1c(F)cccc1NC(C)C 180643222 WPFDAQUBRYCIKM-UHFFFAOYSA-N 206.264 2.691 30 20 BFED C[C@H](C#N)Oc1ccccc1NC(=O)C1CCC1 182060543 JEADUVAAHMRYER-SNVBAGLBSA-N 244.294 2.716 30 20 BFED CCC[C@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 183038617 BMOSXAUPURIEHO-LBPRGKRZSA-N 245.326 2.681 30 20 BFED CC#CCCCC(=O)Nc1ccc(CC#N)cc1 185011269 LSQQSRVSMDSDLB-UHFFFAOYSA-N 240.306 2.885 30 20 BFED Cc1cc(C#N)ccc1CN1C[C@@H]2[C@@H](C1)C2(C)C 186241164 HECPGLPVAZJAFC-HUUCEWRRSA-N 240.350 2.955 30 20 BFED C=CCCCSc1nccn2ccnc12 193580725 FXYLGMCBFCROLW-UHFFFAOYSA-N 219.313 2.788 30 20 BFED C[C@@H]1CCCN(c2cc(C#N)cc(Cl)n2)C1 215366127 UWRCGQMUTPBHMW-SECBINFHSA-N 235.718 2.843 30 20 BFED C[C@@H](Nc1cc(F)cc(C#N)c1)C1CC1 227607902 LARMFKIDXIQFCE-MRVPVSSYSA-N 204.248 2.908 30 20 BFED N#CC1(C(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)CCCC1 249752789 SDZNMTQDCSGNPE-RWMBFGLXSA-N 246.354 2.623 30 20 BFED 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N#Cc1ccncc1N[C@H](C1CCC1)C1CC1 324720373 GMMRGLFWHYNUPN-CQSZACIVSA-N 227.311 2.944 30 20 BFED C[C@H]1CC[C@H](NC(=O)c2ccc(F)c(C#N)c2)C1 334334114 WNLFSKWSQAIEOP-CABZTGNLSA-N 246.285 2.616 30 20 BFED CC[C@]1(C)CCN(C(=O)c2ccc(C#N)cc2)C1 334698056 JBSDNRSXQAHXAF-OAHLLOKOSA-N 242.322 2.820 30 20 BFED Cc1ccc2c(c1)CN(c1ccnc(C#N)c1)C2 335705261 VPHPIBLOFAOXFV-UHFFFAOYSA-N 235.290 2.782 30 20 BFED C=C(C)CN1CC[C@]2(C)[C@@H](C1)C2(F)F 336114782 ASEJRUFHDKYBIT-NXEZZACHSA-N 201.260 2.540 30 20 BFED C[C@H]1CCCN(C(=O)c2ccc(C#N)s2)[C@@H]1C 336454333 XKDPCQUSLQJLMX-VHSXEESVSA-N 248.351 2.880 30 20 BFED CC#CCN(C)Cc1c(F)cccc1Cl 339751493 FEFNFYBDBLUJNO-UHFFFAOYSA-N 225.694 2.934 30 20 BFED N#Cc1ccc(SCCn2ccnc2)c(F)c1 342209146 WGQCHFPZNZTGCQ-UHFFFAOYSA-N 247.298 2.686 30 20 BFED C=CCCOCCCCC(=O)N(C)C(C)C 342614369 FUZSLJQMKMQRDW-UHFFFAOYSA-N 227.348 2.616 30 20 BFED C[C@H]1CN(c2cccc(C#N)n2)CC(C)(C)C1 343526406 NZYFLIWOMCGFRZ-LLVKDONJSA-N 229.327 2.826 30 20 BFED 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Cc1cc(F)cc(C)c1C(=O)N(C)[C@H](C)CC#N 1121187402 PQZDOSQQZSFMOL-LLVKDONJSA-N 248.301 2.817 30 20 BFED C#CC[C@H](C)OC(=O)C1CC2(CCC2)C1 1122652771 NQNOTIMTSRSMBQ-JTQLQIEISA-N 206.285 2.522 30 20 BFED Cc1ccc(C#N)cc1C(=O)O[C@@H](C#N)C(C)C 1263367002 HCNVTKRWOPZZON-ZDUSSCGKSA-N 242.278 2.572 30 20 BFED C[C@]1(C(=O)O[C@H]2CC[C@@H](C#N)C2)CC=CCC1 1263383968 JPKTVHXVNFTMNH-DYEKYZERSA-N 233.311 2.968 30 20 BFED N#Cc1c[nH]nc1NCc1cccc2ccoc12 1308396432 BNOIHVAWNMFXDX-UHFFFAOYSA-N 238.250 2.640 30 20 BFED N#Cc1ccc2c(c1)N(C/C=C/Cl)CC2 1319733887 XOLRSPKYNMXVAG-ORCRQEGFSA-N 218.687 2.673 30 20 BFED C=C[C@H](COC)N[C@@H](C)c1ccc(C)cc1O 1320305970 KCHIGJOCRJBCOK-NWDGAFQWSA-N 235.327 2.552 30 20 BFED CC(=NNc1ccn(C)n1)c1cc(C)cc(C)c1 1320805213 BIYRRTJKYWPNNU-UHFFFAOYSA-N 242.326 2.873 30 20 BFED CC(C)CNN=C1CCCc2ccc(O)cc21 1321540163 LPRMDCMLJYOLSB-UHFFFAOYSA-N 232.327 2.678 30 20 BFED C#CCN(CC1CC1)C(=O)N[C@H]1CCC[C@@H]1CC 1322948500 HBIGZISTELVHNB-KBPBESRZSA-N 248.370 2.620 30 20 BFED Cn1ccc(NN=C2CCCc3sccc32)n1 1324257742 CHXQLPMVEAYORR-UHFFFAOYSA-N 246.339 2.634 30 20 BFED C=C[C@H](COC)N[C@@H]1CCc2cc(F)ccc21 1325620279 UNZAABJJLGMBTH-TZMCWYRMSA-N 235.302 2.604 30 20 BFED CC[C@@H](F)C(=O)N(CCC#N)CCC(C)C 1336329719 DWGPSCBPKICQPZ-LLVKDONJSA-N 228.311 2.523 30 20 BFED C#Cc1ccc(N2CCCC[C@H](SC)C2)nc1 1336548858 SERYVXBPHYEPSI-ZDUSSCGKSA-N 246.379 2.785 30 20 BFED C=CC[C@@H]1CCCN(C(=O)c2ccns2)C1 1339065421 KJOBMNPXPBUCMR-SNVBAGLBSA-N 236.340 2.571 30 20 BFED C=C(C)CN(C)c1nnc(C(C)(C)F)n1CC 1340335238 RMCPWYHUNIFALL-UHFFFAOYSA-N 240.326 2.515 30 20 BFED C=C(C)C(C)(C)C(=O)[C@H](C#N)c1cccc(F)n1 1344672506 QJSFOXXGRCXYDF-SNVBAGLBSA-N 246.285 2.999 30 20 BFED N#CC1(COC(=O)c2ccc(CF)cc2)CC1 1346794706 SPQWJUFAZVKDPZ-UHFFFAOYSA-N 233.242 2.617 30 20 BFED C#CCSCCNc1cc(Cl)ccn1 1348000754 PFLZQCWQKSNWGU-UHFFFAOYSA-N 226.732 2.513 30 20 BFED C=C(CC(C)C)C(=O)N1CC2(CCCC2)C1 1351787571 NHHDWFAJORTXKC-UHFFFAOYSA-N 221.344 2.991 30 20 BFED C=C(CC)C(=O)NCc1ccc2c(n1)CCCC2 1352080561 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CC(C)CCN(C)C(=O)Cc1ccc(C#N)cc1 70158788 BWFUXUMLXHBMCM-UHFFFAOYSA-N 244.338 2.605 30 20 BFED N#CCc1ccc(NC(=O)[C@H]2CCCS2)cc1 70436452 HXOLFZGEOWMXOE-GFCCVEGCSA-N 246.335 2.587 30 20 BFED CCCCN(C)c1ccc(F)cc1C#N 71510056 WADXPWGFJXAGJX-UHFFFAOYSA-N 206.264 2.934 30 20 BFED CC(C)CN(C)C(=O)/C=C/c1cccc(C#N)c1 75566211 JEPMDQNCJCBOPA-BQYQJAHWSA-N 242.322 2.686 30 20 BFED C=CCCN1CCOC[C@@H]1c1ccccc1 76118888 KXDJKQSSHVCCLK-CQSZACIVSA-N 217.312 2.636 30 20 BFED CCOCCCNc1snc(Cl)c1C#N 76427232 GUPWTFGTSNGGCK-UHFFFAOYSA-N 245.735 2.507 30 20 BFED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)CC#N 76966157 NMSPRYDCTVZZRC-FPMFFAJLSA-N 242.322 2.517 30 20 BFED CC[C@H](C#N)C(=O)N1CCCC(C)(C)CC1 87658047 FFHZZIMRDQHMDS-LLVKDONJSA-N 222.332 2.575 30 20 BFED C[C@@H](CC#N)N(C)C(=O)CCCC(C)(C)C 103441318 UBJXCARGEVFYOX-NSHDSACASA-N 224.348 2.963 30 20 BFED N#Cc1ccc(Cl)cc1NCC[C@@H]1CCNC1 104360782 HIUCHYHDXRTWJD-JTQLQIEISA-N 249.745 2.623 30 20 BFED CCCCCCCCC(=O)N(C)[C@H]1CCNC1 115062134 SKHWSJZLVQFOSG-ZDUSSCGKSA-N 240.391 2.557 30 20 BFED C=CC[C@@H](C)NC(=O)Nc1ccc(N(C)C)cc1 116996168 SYZZQPOFXBSNTL-LLVKDONJSA-N 247.342 2.839 30 20 BFED CC#CCOC(=O)c1ccc(Cl)c(OC)c1 119781144 YQDIERQLLWZLSO-UHFFFAOYSA-N 238.670 2.529 30 20 BFED CC[C@H](C)C[S@](=O)CCC(C)(C)C#N 123526532 IKIIJZKXLVRJLN-HZMBPMFUSA-N 215.362 2.721 30 20 BFED N#Cc1ccc(NCC2(O)CCC2)c(Cl)c1 123754848 OSCLWUWURBVKFM-UHFFFAOYSA-N 236.702 2.539 30 20 BFED C[C@H]1CCCN1Cc1ccc(C#N)s1 124375729 ZDKBFMUVRUTPHS-VIFPVBQESA-N 206.314 2.604 30 20 BFED CN(CCc1ccccc1)Cc1ccc(C#N)o1 126452559 RWPDFTZTJVPHKW-UHFFFAOYSA-N 240.306 2.826 30 20 BFED C=C[C@H](C)Nc1ncc([N+](=O)[O-])cc1Cl 129273008 SVKJXBUBYBIQCW-LURJTMIESA-N 227.651 2.630 30 20 BFED C=C[C@H](C)NC(=O)Nc1c(C)noc1C1CC1 129393281 IYXMBSQUGKPQOR-ZETCQYMHSA-N 235.287 2.556 30 20 BFED CCCC(C)(C)NC(=O)Cc1ccc(C#N)cc1 133927213 WFSOJRPFUNQGDU-UHFFFAOYSA-N 244.338 2.796 30 20 BFED C=C[C@@](C)(CC)C(=O)NCC1(CCOC)CC1 135131005 RAAWLHQFGCWBSY-ZDUSSCGKSA-N 239.359 2.522 30 20 BFED CCC(C)(C)NCc1ccc(C#N)s1 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BFED C=CCCC(=O)N[C@H]1CCCO[C@H]1CC(C)C 184793487 IZPJCGIUGAYNJP-STQMWFEESA-N 239.359 2.663 30 20 BFED CC#CCCCC(=O)N1[C@H](C)CCC[C@H]1C 185159940 RVPUJCVKUZLKCH-CHWSQXEVSA-N 221.344 2.970 30 20 BFED CCC1(CN[C@@H]2CCC[C@@H](C#N)C2)CC1 185851084 AFUXMPRQPJNJKV-VXGBXAGGSA-N 206.333 2.849 30 20 BFED C#C[C@@H](C)NC(=O)C[C@H](c1ccccc1)C(C)C 186056258 CRYHEVCQNUXIRR-HIFRSBDPSA-N 243.350 2.954 30 20 BFED C=C[C@](C)(CCOC)C(=O)N[C@H](CC)CCC 188405278 JVAUAOCNIBBKSI-TZMCWYRMSA-N 241.375 2.910 30 20 BFED C=CCC[C@H](NCCOCC(F)F)C1CC1 188759529 VQOSUFQHFWHRTP-NSHDSACASA-N 233.302 2.603 30 20 BFED C#CCCOC(=O)C1(Cc2ccccc2F)CC1 189608221 RKOUHGAQQHRHOI-UHFFFAOYSA-N 246.281 2.715 30 20 BFED C#CCN(C)C(=O)c1c(CC)oc2ccccc12 191147496 YULRSGLBSGKTDU-UHFFFAOYSA-N 241.290 2.700 30 20 BFED N#Cc1ccc(/C=C/c2ccc(O)cc2)nc1 193445105 OXQQVUKBVPBKRD-ORCRQEGFSA-N 222.247 2.829 30 20 BFED COc1cc(SC)ccc1N[C@@H](C)C#N 194522206 APLJORXRXOXOHB-QMMMGPOBSA-N 222.313 2.741 30 20 BFED CC(C)/C(N)=N/O[C@H](C)c1cccc(C#N)c1 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213.365 2.683 30 20 BFED C=CC(C)(C)C(=O)NCC1(OCC)CCCC1 452151874 OFONLASSJZWWOH-UHFFFAOYSA-N 239.359 2.664 30 20 BFED C=CC(C)(C)CNC(=O)C1C[C@@H](C)O[C@H](C)C1 452774958 MXBBAJGUHKNOCK-GHMZBOCLSA-N 239.359 2.518 30 20 BFED C=CC(C)(C)CNC(=O)c1scnc1CC 452776508 QYOJKKZLINTADC-UHFFFAOYSA-N 238.356 2.648 30 20 BFED C=CCCCC(=O)N1CC[C@@H](OC)C(C)(C)C1 452852800 BATPGJUQZSHNFI-GFCCVEGCSA-N 239.359 2.616 30 20 BFED C=C(C)CCNC(=O)N[C@@H]1CCCC1(C)C 454604548 SLOOGZZORDBBTB-LLVKDONJSA-N 224.348 2.831 30 20 BFED C=C(C)CCNC(=O)N1CCC[C@H]1C(C)C 455318806 YZWKVIBNQKRQEB-LBPRGKRZSA-N 224.348 2.783 30 20 BFED C#C[C@H](C)N(C)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 491688472 BPOWJIGBSCVXHY-FVCCEPFGSA-N 221.344 2.539 30 20 BFED C#C[C@H](NC(=O)C1=CC[C@H](C)CC1)C(C)C 491820287 XENHIIMRISYZCN-AAEUAGOBSA-N 219.328 2.507 30 20 BFED CC(C)N(CCCSCC#N)CC1CC1 533358915 KKDFPEPURPMFSO-UHFFFAOYSA-N 226.389 2.754 30 20 BFED C[C@H](C#N)CNc1cccc(-c2ccccn2)n1 545885260 JHNRUJJVLQFHGB-LLVKDONJSA-N 238.294 2.715 30 20 BFED 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2.991 30 20 BFED C[C@H](C#N)CN(C)C[C@H]1CCCC[C@H]1C 346208949 NXTULNOYZVPENT-JHJVBQTASA-N 208.349 2.904 30 20 BFED C[C@@H]1CC[C@H](CC(=O)N(C)CC(C)(C)C#N)C1 353250627 NJMUSLIHLPSHKH-NEPJUHHUSA-N 236.359 2.821 30 20 BFED C=CCCC[C@@H](C)NC(=O)Cc1cccnc1C 354740421 ATLQPCTVRBZGRF-GFCCVEGCSA-N 246.354 2.794 30 20 BFED C=CCCC1(C(=O)N2CC[C@@H](C3CC3)C2)CC1 356599624 WPQIPOWCAFJUEU-CYBMUJFWSA-N 233.355 2.991 30 20 BFED CC[C@@H](CC#N)NCc1ccccc1N(C)C 358283318 UFYCZMQQAWCVOG-ZDUSSCGKSA-N 231.343 2.534 30 20 BFED C=CCN(Cc1ccc(C#N)c(F)c1)C1CC1 361867359 ZKWFXSZLQCXKGW-UHFFFAOYSA-N 230.286 2.848 30 20 BFED C=C1CCN(Cc2ccccc2C(=O)O)CC1 382504347 UCQTYJLFEHOBEW-UHFFFAOYSA-N 231.295 2.537 30 20 BFED C#C[C@@](C)(CC)NC(=O)/C=C/c1cccs1 384133833 CYSCKYZQVSCUFG-XEHSLEBBSA-N 233.336 2.679 30 20 BFED C=CC(C)(C)CNCc1cnc2ccccc2n1 385051476 QWQRYRGIUOLRGC-UHFFFAOYSA-N 241.338 2.932 30 20 BFED CCCCN(CCCC)c1cncc(C#N)n1 401375972 HKNSXOPDHNKYQA-UHFFFAOYSA-N 232.331 2.755 30 20 BFED C[C@H](CC#N)N(C)CC=C(Cl)Cl 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30 20 BFED C=C(C)CNc1c(F)cccc1[N+](=O)[O-] 336694819 NOSFYGGFJSWQQM-UHFFFAOYSA-N 210.208 2.722 30 20 BFED CC(C)CN(C)CCCC1(C#N)CCOCC1 337138678 PFYPAKWJQYLJJZ-UHFFFAOYSA-N 238.375 2.675 30 20 BFED CSCc1ccc(C(=O)N[C@@H](C)CC#N)cc1 338079262 MTVUJTVPXXHJHJ-JTQLQIEISA-N 248.351 2.582 30 20 BFED C=CCC(C)(C)C(=O)NCc1scnc1C 339963287 RBACTSOVTLKZQD-UHFFFAOYSA-N 238.356 2.670 30 20 BFED C=CC[C@H](CC)NCc1ccc(N(C)CC)nc1 341439182 NDUXTOTXWGMJRG-AWEZNQCLSA-N 247.386 2.982 30 20 BFED C=CCCCNC(=O)[C@@H]1CC=CC[C@@H]1C 341666653 GSGSSFALDJQJFE-NWDGAFQWSA-N 207.317 2.671 30 20 BFED CC1(C)CC[C@@H]1NCCc1cccc(C#N)c1 342577536 NFTURNLZANOQGY-AWEZNQCLSA-N 228.339 2.879 30 20 BFED C[C@@H](CC#N)N(C)Cc1nc(C2CC2)cs1 343603992 HRJCBBWWVGELEI-VIFPVBQESA-N 235.356 2.754 30 20 BFED C=C(CNC(=O)c1ccoc1)c1ccccc1 345819242 BDRUCIHMJDFDOU-UHFFFAOYSA-N 227.263 2.723 30 20 BFED C=CCOCCCN1CCc2cccc(C)c21 348029036 HLDUMATZKSQUPY-UHFFFAOYSA-N 231.339 2.950 30 20 BFED C=CCCc1noc(COC2(C)CCC2)n1 351131605 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30 20 BFED C[C@@H](c1cccc(C#N)c1)N(C)CCC[C@@H](C)O 425534177 LOPNMNMXNXMMDI-OLZOCXBDSA-N 246.354 2.712 30 20 BFED CCCc1nc(C)c(CN[C@H]2CC[C@H](C#N)C2)o1 426350684 YBBYEJWCTTUFHS-RYUDHWBXSA-N 247.342 2.717 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCCCC 437527199 RBBPYUIZQWZTBO-OCCSQVGLSA-N 239.359 2.664 30 20 BFED N#CCCN(CC1CC1)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 448915443 UOPHAYTWVPFGOZ-HZSPNIEDSA-N 246.354 2.575 30 20 BFED C=CCCN1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 452043821 HQBABBYCQPZHTB-XJFOESAGSA-N 205.345 2.931 30 20 BFED C=CCC[C@@H](CO)N[C@@H](C)c1ncccc1CC 453361848 PXMZNRQRSBGEJV-JSGCOSHPSA-N 248.370 2.622 30 20 BFED C=CCC(C)(C)C(=O)NC[C@@H]1C[C@H]1C(C)C 456320569 OSJPNTWWTBRYEA-RYUDHWBXSA-N 223.360 2.997 30 20 BFED C[C@@H]1C[C@@H]1CC(=O)Nc1cccc(CC#N)c1 456729825 CZNQMLDXIYSDKA-ZYHUDNBSSA-N 228.295 2.737 30 20 BFED C=CCC[C@@H](CC)N[C@H]1C[C@@H](OCC)C1 459631194 JOAWNSNBRNDVDU-UPJWGTAASA-N 211.349 2.888 30 20 BFED C#CCN(CC)C(=O)[C@@](C)(CC)CCC 490739010 GARMAIFPCWRTGS-ZDUSSCGKSA-N 209.333 2.685 30 20 BFED C#C[C@H](C)N(C)C[C@H]1C[C@@H]1c1ccccc1 491632656 PJDZPIFIDGAYCZ-NWANDNLSSA-N 213.324 2.744 30 20 BFED CO[C@@H]1CCCC[C@H]1N[C@@H]1CCC[C@@H](C#N)C1 494525793 GVUOPBRCZDCOCQ-AAVRWANBSA-N 236.359 2.616 30 20 BFED CCO[C@@H]1C[C@@H]1N[C@@H](C)c1ccc(C#N)cc1F 515506701 AULXBMKAEVXRLN-QCZZGDTMSA-N 248.301 2.525 30 20 BFED CC(C)COc1cccc(CNC[C@@H](C)C#N)c1 544599965 TUPNSRQRBZOYCY-ZDUSSCGKSA-N 246.354 2.971 30 20 BFED Cc1ccc2c(C)cc(=NC[C@H](C)C#N)[nH]c2c1 545891340 FJXQWGOHBCVCRG-LLVKDONJSA-N 239.322 2.845 30 20 BFED CCC[C@H](C#N)NC(=O)C[C@@H]1C=CCCC1 548288010 RSTVFBIDBWDMRK-VXGBXAGGSA-N 220.316 2.541 30 20 BFED CC(C)(C#N)NC(=O)c1ccc(C2CCC2)cc1 564785557 PMAQKPUNGFVMNH-UHFFFAOYSA-N 242.322 2.986 30 20 BFED C=C(C)Cn1c(CC)nnc1N1CCCCCC1 573891555 VSWHZQTYERZAQF-UHFFFAOYSA-N 248.374 2.797 30 20 BFED CCCOc1ccc(CNCC2(C#N)CC2)cc1 576652799 HSNASKYLKWOBIS-UHFFFAOYSA-N 244.338 2.869 30 20 BFED CCN(CC)C(=O)Nc1scc(C)c1C#N 583182542 ZAVQCJIWQMBFFB-UHFFFAOYSA-N 237.328 2.802 30 20 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2.622 30 20 BFED COc1ccc(C)cc1C=NNC1CCCC1 727652102 IXAZWCUHRCWXJF-UHFFFAOYSA-N 232.327 2.870 30 20 BFED Cc1ccc(/C=C\C(=O)c2cnn(C)c2)cc1F 731489818 NIRGJNUGYJOHJU-WAYWQWQTSA-N 244.269 2.764 30 20 BFED N#CC1(C(=O)OC[C@@H]2C[C@H]3CC[C@H]2C3)CCC1 735995382 XKZZNBOFWTWADT-SRVKXCTJSA-N 233.311 2.660 30 20 BFED CCC(=NNC1CCCC1)C1CCOCC1 745202688 ABVPFOOSRRTOGF-UHFFFAOYSA-N 224.348 2.711 30 20 BFED C=C(Cl)COC(=O)c1cccc(Cl)n1 750161311 GIBHBCKBAAXKOR-UHFFFAOYSA-N 232.066 2.644 30 20 BFED COCC(C)=NNc1ccccc1Cl 750916689 QMQZJLJSNSOFNV-UHFFFAOYSA-N 212.680 2.774 30 20 BFED CC(C)[C@H]1CC[C@H](C(=O)O[C@@H](C)C#N)CC1 753457127 AAMFEGIQVLPPBA-SRVKXCTJSA-N 223.316 2.904 30 20 BFED C#CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 753943564 LLLXJUDYGALLCY-HNNXBMFYSA-N 245.297 2.806 30 20 BFED C=C[C@@H](C)NC(=O)c1ccc(F)c(C(=O)CC)c1 757053633 LWYMIQXOODAPFN-SECBINFHSA-N 249.285 2.723 30 20 BFED CC[C@@H]1CCCC1=NNCCN1CCCCC1 758371842 FGFMUDPDSBZMJV-CYBMUJFWSA-N 237.391 2.628 30 20 BFED Cn1cc(NN=Cc2cc3ccccc3o2)cn1 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Clc1ccc(C=NNC2CCCCC2)cn1 786039680 GCSWFFBTBRYALK-UHFFFAOYSA-N 237.734 2.991 30 20 BFED CC(=NNCCc1ccccn1)c1ccccc1 789097677 SBKCIAYXMOSXDB-UHFFFAOYSA-N 239.322 2.638 30 20 BFED C=C[C@](C)(CC)C(=O)O[C@@H](C)c1ccnn1C 791919111 AGCFDIMGWVXEAC-GXFFZTMASA-N 236.315 2.627 30 20 BFED C=CCNN=C(C)c1coc2ccccc12 794994669 WLQQFYMQDGIQQJ-UHFFFAOYSA-N 214.268 2.932 30 20 BFED CCC1(CC)C(=NOCCCOC)C[C@@H]1OC 795054858 CLNBXPWEJBMTCV-LBPRGKRZSA-N 243.347 2.621 30 20 BFED CC[C@@H]1CC[C@H](C)CC1=NNC(=S)N(C)C 797402597 HXOWZBOWMAASAI-VHSXEESVSA-N 241.404 2.625 30 20 BFED CCCCCCCCN(CC)[C@@H]1CCNC1=O 799355077 ZTUVXZBOLBKDLM-CYBMUJFWSA-N 240.391 2.557 30 20 BFED CCCC=NNc1nccnc1C1CCC1 807991976 XBMWXBSXHYOWFG-UHFFFAOYSA-N 218.304 2.942 30 20 BFED Oc1ccc(C=NNCC2CCCC2)cc1 808005647 INXFBPMVEUGTKF-UHFFFAOYSA-N 218.300 2.506 30 20 BFED C#CCC1(OC(=O)c2ccc(C#N)s2)CCC1 810752196 WQQPWBNCCQMCQO-UHFFFAOYSA-N 245.303 2.723 30 20 BFED C#CCON=C1CCSc2c(F)cccc21 812233144 NGHBZDNITYCVDP-UHFFFAOYSA-N 235.283 2.675 30 20 BFED CCn1nc(C=NOC2CCC2)c2ccccc21 812235745 PWJZZBIUBFZAMW-UHFFFAOYSA-N 243.310 2.959 30 20 BFED COCC(Cc1ccccc1)=NOCC1CC1 814940968 JNRWQMVQYAJVLF-UHFFFAOYSA-N 233.311 2.658 30 20 BFED C=CCC(F)(F)C(=O)N(C1CC1)[C@@H](C)C1CC1 814990287 KESCPSDUFIHKLG-VIFPVBQESA-N 243.297 2.987 30 20 BFED Cc1ccnc(NN=CCC(F)(F)F)c1 817326377 VNSBXIOCPTXMEH-UHFFFAOYSA-N 217.194 2.740 30 20 BFED C=C(C)CCOC(=O)[C@H]1CCc2cccnc21 820828462 ACDIWBIVNHAASC-LBPRGKRZSA-N 231.295 2.621 30 20 BFED CC(C)C#CC(=O)NCC[C@@H]1CCCC[C@@H]1C 827788352 SEYIESVSWGIKBX-KBPBESRZSA-N 235.371 2.978 30 20 BFED C#C[C@H](NC(=O)OC1CCC1)c1ccccc1 827906736 UECAPFDDKUOUTE-ZDUSSCGKSA-N 229.279 2.640 30 20 BFED C#CC1CCN(Cc2cc(C)nc(Cl)c2)CC1 830352017 YMNDWHSIWQMAMI-UHFFFAOYSA-N 248.757 2.889 30 20 BFED CC(C)C#CC(=O)N[C@H](CC(F)(F)F)C(C)C 832715808 HQNLFKZQNRZZLR-SNVBAGLBSA-N 249.276 2.739 30 20 BFED c1cnc(NN=C2CCCC23CCC3)cn1 834939056 XVXGCPMCAXBNFA-UHFFFAOYSA-N 216.288 2.599 30 20 BFED CC(C)ON=Cc1cccc(Br)n1 835001673 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C[C@H](C=NN(C)[C@@H](C)CO)CCc1ccccc1 842542032 WXQLHJTXIZDTOF-KBPBESRZSA-N 248.370 2.554 30 20 BFED CCCON=C(C)c1cccc(N2CCC2=O)c1 842550452 GLWMRZVYHYYWHJ-UHFFFAOYSA-N 246.310 2.574 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1cccnc1F 843692488 PXJZKQGLHXZQKD-GFCCVEGCSA-N 222.263 2.762 30 20 BFED C=C[C@@H](C)ONC(=O)NCCC1=CCCCC1 844282740 XRUITLXEFNYDGC-LLVKDONJSA-N 238.331 2.682 30 20 BFED C=C(C)CON=C(C)c1c(CC)noc1C 844619194 UYJTUAHVIWVKDS-UHFFFAOYSA-N 222.288 2.862 30 20 BFED C=CCc1ccccc1OC(=O)/C=C(/C)COC 845439498 IRMKRAASFNSZLG-BENRWUELSA-N 246.306 2.913 30 20 BFED C=C[C@@H](C)ONC(=O)N1CCCC[C@@H]1CCC 845626474 VMVHOLDOLDTFAL-NEPJUHHUSA-N 240.347 2.857 30 20 BFED C=C[C@H](C)ONC(=O)N(CC)C[C@@H](C)CC 845628963 GNOYCOZNQVNMLQ-QWRGUYRKSA-N 228.336 2.570 30 20 BFED C=C[C@H](C)ONC(=O)C1(c2ccccc2)CCC1 846545809 ZGNSURZUQWUXIG-LBPRGKRZSA-N 245.322 2.731 30 20 BFED N#CC[C@H]1CCCN(Cc2cccc(Cl)n2)C1 852320142 XEDODZGSBFPBDV-LLVKDONJSA-N 249.745 2.861 30 20 BFED C[C@@H]1CCCCN1N=Cc1cn2ccccc2n1 853380814 SYROGOFRQNVNBB-GFCCVEGCSA-N 242.326 2.543 30 20 BFED C#CCOCCOc1ccc(OCC(C)C)cc1 853692153 QNSNPQPXMXQWPQ-UHFFFAOYSA-N 248.322 2.750 30 20 BFED C[C@@H]1CC/C(=C\C(=O)N2CCC[C@H](CC#N)C2)C1 855254702 PMAWQTMTYWJQRY-HUPKAIDTSA-N 246.354 2.885 30 20 BFED C=CC[C@@H]1CCCN(C(=O)C#CC(C)(C)C)C1 855436974 OXTUVHVZYIREMG-CYBMUJFWSA-N 233.355 2.851 30 20 BFED C/C=C(/C=C\C(=O)N(C1CC1)[C@@H](C)C#N)CC 855582804 OTLDRQWWOIYWCG-RJWCCUNMSA-N 232.327 2.802 30 20 BFED CC(C)C[C@H](C(=O)NO)c1ccc(Cl)cc1 856847150 KMUIBRRPMOJRHF-NSHDSACASA-N 241.718 2.975 30 20 BFED CC[C@H](C#N)OC(=O)C[C@H](C)c1ccco1 859813030 ZDFGMQCYMAUPDK-VHSXEESVSA-N 221.256 2.619 30 20 BFED C=C[C@@H](C)OC(=O)[C@H](OC)c1ccc(F)cc1 860682260 UUUYVYZXFZUYNR-BXKDBHETSA-N 238.258 2.631 30 20 BFED C=CCC(C)(C)C(=O)OCc1cnsc1 861209186 LZPPJBMYFNTWMH-UHFFFAOYSA-N 225.313 2.789 30 20 BFED Cc1ccc(NN=Cc2cnc(C3CC3)o2)nc1 863088849 BIOYYZPDEHYBHD-UHFFFAOYSA-N 242.282 2.701 30 20 BFED C=CCOCSc1ccc2c(c1)OCCO2 865346638 SUVKRIHTKLIGAR-UHFFFAOYSA-N 238.308 2.710 30 20 BFED C#C[C@H](OC(=O)C(C)(C)OCC)c1ccccc1 870376425 JBJOXZGDANKTBA-ZDUSSCGKSA-N 246.306 2.719 30 20 BFED C#CCCCCCCN1CCC[C@@H]1c1ncon1 876662113 LQMSMCVMELPLNJ-CYBMUJFWSA-N 247.342 2.790 30 20 BFED C=C(C)CCN1CCc2cc(O)c(OC)cc2C1 887107015 XVCPQRWKMMLFGI-UHFFFAOYSA-N 247.338 2.725 30 20 BFED C=C1CCC(C(=O)NCC(C)(C)OCC)CC1 890106117 UJWHDTNRKXALAX-UHFFFAOYSA-N 239.359 2.664 30 20 BFED C[C@H](OC(=O)CCF)c1ccc(C#N)cc1 892812046 QUITVASFPAROMV-VIFPVBQESA-N 221.231 2.522 30 20 BFED C=CC1(OC(=O)[C@@H](C)c2ccc(C)o2)CC1 893362639 ICICUIVSUQBWII-JTQLQIEISA-N 220.268 2.953 30 20 BFED C=C/C=C\CCNC(=O)C1CCC(=C)CC1 893393098 WZCWSSKFCKPAIU-PLNGDYQASA-N 219.328 2.981 30 20 BFED C=CCC(C)(C)C(=O)O[C@H](C)Cc1cnccn1 893401763 OPUDZUFMYZNUIX-LLVKDONJSA-N 248.326 2.553 30 20 BFED CC#CCN(C)C/C=C/c1ccccc1[N+](=O)[O-] 897166042 HRSXETKBKCWWJQ-VQHVLOKHSA-N 244.294 2.563 30 20 BFED C=CC[C@@H](C)[C@@H](C)NCc1ccc2nonc2c1 897990814 DXRFEUXOBTZHQR-GHMZBOCLSA-N 245.326 2.913 30 20 BFED C=CCC[C@@H](N[C@@H](C)CCCC)C(=O)O 901694032 ZMXMOYHEFNYPLW-WDEREUQCSA-N 213.321 2.574 30 20 BFED C=CCN(C(=O)[C@H]1CC1(Cl)Cl)C(C)C 914683087 FAHNPKYCNXKKEY-MRVPVSSYSA-N 236.142 2.603 30 20 BFED CC(C)CNN=Cc1ccc(F)c(F)c1 916366518 VYOUGHJDVXJOFD-UHFFFAOYSA-N 212.243 2.544 30 20 BFED C=CC(C)(C)CN[C@H](C)c1ccnc(O)c1 926518655 ACKGOQDOQINQKR-SNVBAGLBSA-N 220.316 2.650 30 20 BFED C#CCN(CC)C(=O)[C@H](C)c1ccccc1C 930580109 OYXCPSFRESUJKX-CYBMUJFWSA-N 229.323 2.580 30 20 BFED C=C[C@H](CC)CC(=O)N[C@@H]1C[C@@H](OC)C1(C)C 934372253 QRFUBHDJVQTENF-IJLUTSLNSA-N 239.359 2.518 30 20 BFED C=C[C@@H](CC)CC(=O)N(CC)CC(F)F 935369048 VMZAQWASSQVEDN-VIFPVBQESA-N 219.275 2.702 30 20 BFED C=C[C@H](CC)CC(=O)Nc1c(F)ccnc1F 1120382492 KUJXKTXVQWTMTA-MRVPVSSYSA-N 240.253 2.901 30 20 BFED C=CCCCNC(=O)N[C@H](C)c1ncccc1C 1122115791 TVMDGZSBJMXKDM-GFCCVEGCSA-N 247.342 2.716 30 20 BFED C=C(CC)C(=O)NC[C@H](C)Oc1ccccc1C 1263750056 QOKIVHBCTQQHFF-ZDUSSCGKSA-N 247.338 2.845 30 20 BFED C[C@H](CC#N)NC(=O)c1cc(F)cc2ccoc12 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229.283 2.779 30 20 BFED CCN(CC(C)C)C(=O)c1ccc(C#N)cc1F 1336974530 ZAHWSYVJDBHSBJ-UHFFFAOYSA-N 248.301 2.815 30 20 BFED Cn1ccc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)n1 1338903405 NKSNEAQVKCRYLQ-WYUUTHIRSA-N 244.342 2.644 30 20 BFED C=C[C@@H](C)NC(=O)C[C@@H]1CCNc2ccccc21 1341568370 ZERSOJIAFWOORH-NEPJUHHUSA-N 244.338 2.667 30 20 BFED Cc1ncsc1CSCC1(C#N)CC1 1343587708 GOPCJKUJPIYKST-UHFFFAOYSA-N 224.354 2.989 30 20 BFED CC[C@H](C)c1nnc([C@](C)(C#N)CC)o1 1346662199 HTCGFUUIYBIOLQ-KWQFWETISA-N 207.277 2.774 30 20 BFED C=C(CC)C(=O)N1C[C@H](C2CC2)[C@H]1C1CC1 1347149740 UZIVJHVHTBWCLK-CHWSQXEVSA-N 219.328 2.600 30 20 BFED C=C(CC(C)C)C(=O)N1CCSC(C)(C)C1 1348091598 UDCPPYZYNDXXER-UHFFFAOYSA-N 241.400 2.943 30 20 BFED C=C(CC)C(=O)Nc1ccc(F)c([C@H](C)O)c1 1520169241 LGDYBGRNGGKYCZ-VIFPVBQESA-N 237.274 2.784 30 20 BFED C=C(CC)C(=O)Nc1nc2c(s1)CCCC2 1527410219 OULOFDRMYFLRSA-UHFFFAOYSA-N 236.340 2.927 30 20 BFED C=CCCNc1cccc([C@H](C)C(=O)O)c1 1588808979 UEUBPYGVNWEENS-JTQLQIEISA-N 219.284 2.863 30 20 BFED Cc1cc(OCC2(CC(=O)O)CC2)ccc1C#N 1610475798 BZHJBAQCSAXWHM-UHFFFAOYSA-N 245.278 2.500 30 20 BFED C=CCC1(C(=O)O)CCN(CC/C=C/C)CC1 1776160691 UVGIRKPARMGYRU-HWKANZROSA-N 237.343 2.696 30 20 BFED N#Cc1ccc(F)c(CNCc2ccco2)c1 20056656 FDXNUFLKBYATSG-UHFFFAOYSA-N 230.242 2.580 30 20 BFED CC[C@@H](NCCC#N)c1ccc(OC)c(OC)c1 20200194 FWWGJSSWRAPXJK-GFCCVEGCSA-N 248.326 2.658 30 20 BFED CN(Cc1cccnc1)c1ccc(C#N)cc1 35149118 ILZUHINAYCTSIZ-UHFFFAOYSA-N 223.279 2.590 30 20 BFED C[C@@H](NC[C@@H]1CCCOC1)c1cccc(C#N)c1 38045111 PJHHQADSCOCATO-OCCSQVGLSA-N 244.338 2.635 30 20 BFED CCCN(CC1CC1)C(=O)C(C#N)(CC)CC 44766323 KYWFBVKSQQZZFQ-UHFFFAOYSA-N 236.359 2.965 30 20 BFED C=C(C)CNC(=S)N[C@H]1CCCC[C@@H]1C 57434865 NZOZNCKCLXOJSK-QWRGUYRKSA-N 226.389 2.605 30 20 BFED CC(C)(C#N)C(=O)Nc1cc(F)c(F)c(F)c1 61119545 LIRBXKHVMCJJFG-UHFFFAOYSA-N 242.200 2.592 30 20 BFED C=CCN(CC=C)C[C@H](O)c1ccc(F)cc1 62350572 KVNWQAQRBMOJMC-AWEZNQCLSA-N 235.302 2.533 30 20 BFED Cc1ccc(F)cc1C(=O)NCCCCC#N 70940458 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BFED C=CC[C@@H](C)NC(=O)c1cc(C)n(C(C)(C)C)n1 116855630 UAHZCPXKEXYHRS-SNVBAGLBSA-N 249.358 2.641 30 20 BFED C=C[C@H](C)N[C@@H](C)c1ccc2c(c1)OCO2 119362934 SNKXGISZGTZOMU-UWVGGRQHSA-N 219.284 2.640 30 20 BFED C=CCC[C@H](NC1CCN(C2CC2)CC1)C1CC1 119957481 PXAWHHOQZHNHTA-INIZCTEOSA-N 248.414 2.948 30 20 BFED C[C@@H]1CCC[C@@H](/N=C/c2ccc(O)c(O)c2O)C1 120541246 HMZAGJOKOPZNQL-VQXRRUFOSA-N 249.310 2.801 30 20 BFED C=CCN(CCc1ccccc1)C(=O)CC 121363098 JNRFATWJKLLFCW-UHFFFAOYSA-N 217.312 2.654 30 20 BFED CCCN(CC#N)Cc1ccccc1OCC 122977393 MEIQAMHYPMJZNV-UHFFFAOYSA-N 232.327 2.821 30 20 BFED C=C(Cl)CNCc1cccc(OC)c1OC 124492543 FKDBADNTGVVQPJ-UHFFFAOYSA-N 241.718 2.546 30 20 BFED CC[C@H]1CCCN(c2cccnc2C#N)C1 129884352 BTCTUQRWGCOAII-NSHDSACASA-N 215.300 2.580 30 20 BFED C[C@@H](NCc1cncs1)c1cccc(C#N)c1 133121306 LSQWUSMIPPBGQH-SNVBAGLBSA-N 243.335 2.866 30 20 BFED Cc1cc(F)cc(C(=O)N(C)[C@@H](C)CC#N)c1 134788593 MHFZTXRFPCULSV-JTQLQIEISA-N 234.274 2.508 30 20 BFED C#CCSCCNC[C@H]1CCCC[C@H]1C 134852824 OLQANWQLEKFLQZ-CHWSQXEVSA-N 225.401 2.769 30 20 BFED C[C@H](N[C@@H](C)c1ncc[nH]1)c1ccc(C#N)cc1 139029898 GRKSZTNMUKLBMC-QWRGUYRKSA-N 240.310 2.693 30 20 BFED C=C(C)CN1CCC(NC(C2CC2)C2CC2)CC1 152962526 AQGDKQNQEZZCCX-UHFFFAOYSA-N 248.414 2.805 30 20 BFED C=C(C)CCOC(=O)c1ccnn1C(C)C 155594564 AWUDXELOTIIVAJ-UHFFFAOYSA-N 222.288 2.587 30 20 BFED CC[C@@H](CC#N)NC(=O)Nc1cscc1C 157775378 FIADUIVPKJFLPX-VIFPVBQESA-N 237.328 2.870 30 20 BFED C=CCN(CC=C)Cc1c(C)nn(CC)c1C 158127415 BDTIBOSNDDMVQX-UHFFFAOYSA-N 233.359 2.694 30 20 BFED CC#CCCN[C@H](C)Cc1ccsc1 161203575 QAJHWDUUISIMDN-LLVKDONJSA-N 207.342 2.682 30 20 BFED C=CCN(C)C(=O)c1ccc(Cl)cc1C 161404583 QWXGPKVBOIGHMG-UHFFFAOYSA-N 223.703 2.906 30 20 BFED C#CCCOC(=O)[C@H](C)Cc1cccc(F)c1 170715683 ZPWTWSPGRDUHJW-LLVKDONJSA-N 234.270 2.571 30 20 BFED C=C(C)COC(=O)[C@@H](CC)OC1CCCC1 172022422 JILSXBPQHOETOR-GFCCVEGCSA-N 226.316 2.844 30 20 BFED C=CCOCCCC(=O)N(C)Cc1ccccc1 173010753 KNROBRDLRIMCPU-UHFFFAOYSA-N 247.338 2.628 30 20 BFED 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2.809 30 20 BFED C=CCCCCC[C@H](C)NC1CCNCC1 817937179 UMHMPVFMCDDZPB-ZDUSSCGKSA-N 224.392 2.853 30 20 BFED C#CCCCCCC(=O)OC[C@@]1(C)C[C@H]1F 822128370 GUWZKILLGJXTSJ-DGCLKSJQSA-N 226.291 2.861 30 20 BFED C#C[C@H](C)N(C)Cc1cc2cc(Cl)cnc2o1 824296667 HYTLLPGRVOTCND-VIFPVBQESA-N 248.713 2.935 30 20 BFED C=C[C@H](CC)CC(=O)N[C@@H](CC)C1CC1 825376821 WOGZTHAHONKWRS-PWSUYJOCSA-N 209.333 2.894 30 20 BFED Cc1ccc(C#N)cc1C(=O)N(C1CC1)C1CC1 827239454 WEWMDQZZEHMCOL-UHFFFAOYSA-N 240.306 2.634 30 20 BFED CC1CC(C#N)(C(=O)OCC2=CCCC2)C1 828932306 QAKZRVJEYAZYIK-UHFFFAOYSA-N 219.284 2.580 30 20 BFED N#CCCCCOC(=O)/C=C/C1CCCC1 830797417 KDCWMEGNBYKLQE-CMDGGOBGSA-N 221.300 2.970 30 20 BFED C#CCC(C)(C)C(=O)OCC[C@@H](C)SC 835672638 PLTICQINONEHSI-SNVBAGLBSA-N 228.357 2.721 30 20 BFED C=CCONC(=O)Cc1ccc(C(C)(C)C)cc1 837047595 KCHQVBULUJLIIM-UHFFFAOYSA-N 247.338 2.760 30 20 BFED C=C(CC)CNC(=O)/C(=C/c1ccccc1)OC 837098841 HROOJFFNUMUSPE-UVTDQMKNSA-N 245.322 2.756 30 20 BFED C=CCC1(C(=O)O[C@@H](C)C(=O)CC)CCC1 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30 20 BFED CC[C@H](C#N)N(C)C(=O)/C=C\c1cccs1 847175651 YUNXTBUGAIYXTR-JYESYGNLSA-N 234.324 2.522 30 20 BFED C#C[C@@H](CC)OC(=O)c1ccc(C(F)F)nc1 847683227 MNEGRNCRTCVGHL-VIFPVBQESA-N 239.221 2.588 30 20 BFED C=CC[C@@H]1CCCC[C@H]1OC(=O)COC(F)F 851142953 HVQOPTSEDRLMAK-NXEZZACHSA-N 248.269 2.904 30 20 BFED C#CCOCCN1CC[C@H](C)[C@H]2CCCC[C@H]21 851725533 FLTCKAQYGQPVQZ-RRFJBIMHSA-N 235.371 2.537 30 20 BFED CC[C@@H]1CCC[C@H](C)N1CCO[C@H](C)C#N 852711540 GAFUTESPGHYAOV-YNEHKIRRSA-N 224.348 2.568 30 20 BFED C#CCOCCN[C@@]1(c2ccccc2)CC1(C)C 852772810 PFALRHQTVRYMNX-MRXNPFEDSA-N 243.350 2.551 30 20 BFED C=CCCNC(=O)C(F)(F)c1ccccc1F 853823364 AFPNUDLWFBIDOH-UHFFFAOYSA-N 243.228 2.610 30 20 BFED C#CC[C@@H](CCOC)NCc1ccc(C)c(F)c1 858334398 WFTSGKWZJPPKGQ-AWEZNQCLSA-N 249.329 2.652 30 20 BFED C=CCCCOC(=O)c1cc(F)c(N)cc1F 859757701 LSMJCMACMPIJQI-UHFFFAOYSA-N 241.237 2.670 30 20 BFED C#CC[C@@H](CCOC)NC[C@H](C)CC(C)C 862548303 CBWWPUQAAXDPRT-KGLIPLIRSA-N 225.376 2.687 30 20 BFED 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2.588 30 20 BFED C=CCn1c(C)nnc1N1CCC[C@H]2CCC[C@H]21 289719162 PJJLCKQFFHJCOA-CHWSQXEVSA-N 246.358 2.541 30 20 BFED CC(C)CCNC(=O)Nc1ccc(C#N)c(F)c1 289986664 YEGSRXAGIOGYII-UHFFFAOYSA-N 249.289 2.865 30 20 BFED N#C[C@@H]1CC[C@H](Sc2ccc(Cl)nn2)C1 295759459 OTISWNSVQWJNBT-SFYZADRCSA-N 239.731 2.914 30 20 BFED C=CCNC(=O)N[C@H](C)CCC=C(C)C 296258994 SFOFWXPYZWKQPB-LLVKDONJSA-N 210.321 2.607 30 20 BFED C=CCC(C)(C)C(=O)N(C)c1ncccc1C 298803882 XFGMTTCIMFAZCV-UHFFFAOYSA-N 232.327 2.955 30 20 BFED Cc1ccccc1/C=C/C(=O)NC1(C#N)CCC1 299532481 UCUWNQDDOZEBAQ-BQYQJAHWSA-N 240.306 2.571 30 20 BFED C[C@H](NC[C@@H]1CCO[C@H]1C)c1cccc(C#N)c1 300581838 BIAVRIPKHNKEBB-HUBLWGQQSA-N 244.338 2.634 30 20 BFED CC(C)C1(C)CCN(c2ccc(C#N)nn2)CC1 302363687 DECSHZADLRELKD-UHFFFAOYSA-N 244.342 2.611 30 20 BFED C=CCC[C@@H](C)NC[C@@H](OC)C(F)(F)F 308906946 CVCBJRIBTCQHNB-RKDXNWHRSA-N 225.254 2.508 30 20 BFED C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C1CCC1 308974487 GFMOANNPTGPEPD-DMDPSCGWSA-N 206.333 2.847 30 20 BFED 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BFED C=CCOCCCC(=O)N[C@H]1CCC(C)(C)C1 352137183 ISWVUJJURYAOJM-LBPRGKRZSA-N 239.359 2.664 30 20 BFED C=C(C)CNCc1ccnn1-c1ccc(F)cc1 352855954 DPKBZEWDQIFYQB-UHFFFAOYSA-N 245.301 2.677 30 20 BFED C=C(C)CN(C)CCCc1ccc(C)nc1 354666154 PQGQDXAQBPQOHV-UHFFFAOYSA-N 218.344 2.831 30 20 BFED C=CCOCC(=O)Nc1cccc(OCCC)c1 354677097 HLMCPNADDLLJCI-UHFFFAOYSA-N 249.310 2.617 30 20 BFED C=CCCCC(=O)N(C)CCCOC(C)C 359139231 VTHNAEYRUGQPKZ-UHFFFAOYSA-N 227.348 2.616 30 20 BFED C=CCCCC(=O)N1C[C@@H](C)CC1(C)C 359510895 BDHFTVMFVMNJTE-NSHDSACASA-N 209.333 2.990 30 20 BFED CCCCS[C@@H](C)C(=O)NCC(C)(C)C#N 359650602 OGFLCMUYTLZTFR-JTQLQIEISA-N 242.388 2.574 30 20 BFED CCCCCCCC(=O)N(C)[C@@H](CC)CO 379062718 SMABKAZTCZRLEZ-LBPRGKRZSA-N 229.364 2.576 30 20 BFED CCCCCCCN1CCN[C@H](C)[C@@H]1C 379468023 MAQMPZLLMSWWEM-OLZOCXBDSA-N 212.381 2.639 30 20 BFED CCC[C@H](C#N)NC(=O)[C@@H]1CCC[C@@H](C)C1 383187523 OGOSUJXSTODOLL-IJLUTSLNSA-N 222.332 2.621 30 20 BFED C#C[C@H](N[C@H](CC)CCC=C)[C@@H]1CCCO1 390796548 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BFED C#CCCCCCC(=O)N[C@@H](CC)CSC 780031470 LWSPWMZBSGNUPL-LBPRGKRZSA-N 241.400 2.828 30 20 BFED Oc1ccc2c(c1)CCC2=NO[C@H]1CCCCO1 780233953 AWTPKIYTTOMZQG-AWEZNQCLSA-N 247.294 2.586 30 20 BFED CC[C@@H](C#N)OC(=O)c1cc(Cl)ccc1O 781131905 MGTQFMJJWALXMD-QMMMGPOBSA-N 239.658 2.505 30 20 BFED CC(=NNCCC(C)(C)C)[C@@]1(C)CCCO1 782267840 IMFKGXCNTDWCGB-CYBMUJFWSA-N 226.364 2.957 30 20 BFED CCc1ccccc1CC(=O)OCC1(C#N)CC1 785831245 YZSGFCAMHWKNFP-UHFFFAOYSA-N 243.306 2.638 30 20 BFED CC(C)(C)C1CCC(=NN[C@@H]2CCOC2)CC1 788457506 UBNGGVHJKXJDGF-GLGOKHISSA-N 238.375 2.957 30 20 BFED C=CCC[C@H](C(=O)OC[C@H](C)O)c1ccccc1 792159289 WSSRVYRHVZVGAM-JSGCOSHPSA-N 248.322 2.660 30 20 BFED CC1(C)CCC[C@@H]1OC(=O)c1ccc(C#N)[nH]1 799514534 KRWCSCHZBJABNH-NSHDSACASA-N 232.283 2.622 30 20 BFED FCCC[C@H]1CCCC1=NNC1CCOCC1 800814304 SSYJVAJQKQMIEH-LLVKDONJSA-N 242.338 2.661 30 20 BFED CC(C)N(CCO[C@H](C)C#N)C1CCCCC1 801931847 PZSOQMXMDYZIJN-CYBMUJFWSA-N 238.375 2.958 30 20 BFED C=C[C@H]1CCCCN1CCC(=O)C(C)C 808754294 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CC#CCN(C)C(=O)CCCSC(C)(C)C 819249416 MPPJUQGPYJDIBQ-UHFFFAOYSA-N 241.400 2.780 30 20 BFED C=CCCNC(=O)N1CCCC2(CCCC2)C1 820765803 RKUTXATZCGZUJL-UHFFFAOYSA-N 236.359 2.928 30 20 BFED CCCCCCCNC(=O)/C=C/c1cn(C)cn1 826981684 GDSOMYDODNQETL-CMDGGOBGSA-N 249.358 2.520 30 20 BFED C=C(C)COC(=O)[C@H](C)OCCc1ccccc1 835078312 IHYVWYHESBJLSG-ZDUSSCGKSA-N 248.322 2.754 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)OC[C@](C)(C=C)CC 835337673 WFZHCEJWHRGRMC-MBNYWOFBSA-N 238.327 2.723 30 20 BFED C=C(CC)CNC(=O)Nc1cc(C)ns1 836443916 IUXUXQDUUYBUCM-UHFFFAOYSA-N 225.317 2.539 30 20 BFED C#Cc1cccc(CNC(=O)N(C)[C@H](C)CC)c1 838722659 GTYWODJRTHILAC-GFCCVEGCSA-N 244.338 2.608 30 20 BFED COC1(C/N=C\c2ccccc2O)CCCC1 840705338 FJQHTJCZAGYILU-GDNBJRDFSA-N 233.311 2.770 30 20 BFED C=C[C@H](C)ONC(=O)c1cc(C)c(OC)c(C)c1 846547287 DANQLLJBMFKDOI-NSHDSACASA-N 249.310 2.548 30 20 BFED C#C[C@H](NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)C(C)C 847113904 GHMYTLRBCRJIGO-LJISPDSOSA-N 247.382 2.977 30 20 BFED CC(C)c1ccccc1C=NN1CCCC1=O 848406621 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30 20 BFED C=CCCCCOC(=O)Cc1ccccc1O 837486460 ZMCOEYPALOYSKK-UHFFFAOYSA-N 234.295 2.834 30 20 BFED Cc1nc([C@H](C)ON=Cc2cccc(F)c2)no1 842019458 SOJWBRMIRVHPPQ-QMMMGPOBSA-N 249.245 2.629 30 20 BFED CCCON=C(C)[C@@H]1C[C@H](CC(=O)O)C1(C)C 842551938 VMRDWLUHLQRFRT-MNOVXSKESA-N 241.331 2.926 30 20 BFED C#CCCNc1cnn(-c2ccc(C)cc2)c1C 844628590 PVKOTJXQBKIEOJ-UHFFFAOYSA-N 239.322 2.924 30 20 BFED CC(C)(C#N)OC(=O)[C@H]1CCc2ccccc2C1 845490368 PFFXCTMUCBRUKX-ZDUSSCGKSA-N 243.306 2.637 30 20 BFED C#CCCCCCOC(=O)C[C@@H](C)n1ccnc1 845506802 IFNLCTXIYPITAF-CYBMUJFWSA-N 248.326 2.571 30 20 BFED C=C[C@@H](C)ONC(=O)N[C@H](C)CC(C)(C)C 845615594 LGDCIWRETXSDMU-NXEZZACHSA-N 228.336 2.616 30 20 BFED CC(C)c1ccccc1C=NN[C@@H]1CCOC1 848410715 NQXDKEFAQLJAGN-CYBMUJFWSA-N 232.327 2.522 30 20 BFED C[C@H]1CC(=NNc2ccc(Cl)cn2)CCO1 853437426 NIFVCMJIGAITCN-QMMMGPOBSA-N 239.706 2.702 30 20 BFED C#C[C@](C)(CC)NC(=O)C1=CC[C@@H](C)CC1 854694888 SGHWDBMMIHHDPV-BXUZGUMPSA-N 219.328 2.651 30 20 BFED CCCc1ccc(C=Nn2c(C)nnc2C)s1 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C=CC(C)(C)CC(=O)NCC1(C2CC2)CC1 879277649 GLVSLEJEOZDVEH-UHFFFAOYSA-N 221.344 2.895 30 20 BFED C=CC(C)(C)CC(=O)N1CC(CC(F)F)C1 880348768 JVZWPUVGHYLQNN-UHFFFAOYSA-N 231.286 2.702 30 20 BFED CCCOc1ccnc(NCC(C)(C)CC#N)n1 882441260 QKWVQVOHULTBQJ-UHFFFAOYSA-N 248.330 2.617 30 20 BFED O=[N+]([O-])c1ccc(O)c(/C=N\C[C@@H]2C=CCC2)c1 887268883 XGXCMPIUJCPPFM-AHEVQNHNSA-N 246.266 2.686 30 20 BFED CCC#CCOC(=O)c1ccc(C2CC2)nc1C 893844249 ZZFCKFXBAJVLME-UHFFFAOYSA-N 243.306 2.838 30 20 BFED C#Cc1ccc(C(=O)N(CCC)C2CC2)cc1 896164159 POCSHOGXJCPPGC-UHFFFAOYSA-N 227.307 2.683 30 20 BFED N#C[C@@H]1CC[C@@H](N[C@@H](c2ccncc2)C2CC2)C1 898319922 JBLKPYNNYDYGNS-KCPJHIHWSA-N 241.338 2.815 30 20 BFED O=C(N(O)Cc1ccc(F)cc1)[C@@]12CCC[C@@H]1C2 900679061 NFPRJHZOJGHCQK-BXUZGUMPSA-N 249.285 2.734 30 20 BFED C=CCC[C@H](N[C@H]1CCC[C@H]1C(C)C)C(=O)O 901689359 DWWJIFIKTLEPRK-AVGNSLFASA-N 239.359 2.820 30 20 BFED C=CCC[C@H](N[C@@H](C)CCC1CC1)C(=O)O 901693980 XZIMUJJGHWSGPY-JQWIXIFHSA-N 225.332 2.574 30 20 BFED CC[C@@H](NC[C@@H](C)COC)c1cccc(C#N)c1 902766159 FSRUFBLGKBBOSZ-IUODEOHRSA-N 246.354 2.881 30 20 BFED C#CCN(C(=S)Nc1ccccc1)C(C)C 905652337 OZBRQDJANGKQKH-UHFFFAOYSA-N 232.352 2.727 30 20 BFED N#Cc1sccc1C(=O)NC[C@H]1CC=CCC1 906422994 NDAYBZHCYQHWRS-JTQLQIEISA-N 246.335 2.706 30 20 BFED C=C1CN(C(=O)CCSc2ccc(C)cc2)C1 912446420 RFJYHJCUFZBYPL-UHFFFAOYSA-N 247.363 2.876 30 20 BFED C=CCCCS(=O)(=O)c1ccc(F)cc1 919973637 CJUMEVAFTMDLCV-UHFFFAOYSA-N 228.288 2.566 30 20 BFED CC[C@H](N[C@H](C)CC(C)(C)C#N)[C@@H]1CCCO1 925632517 ACOVHUMBYLAYEH-AGIUHOORSA-N 238.375 2.862 30 20 BFED C=C[C@@H](CC)CC(=O)OC[C@@](C)(OC)C1CC1 1123043726 FMPCMYLJTZDEID-SMDDNHRTSA-N 240.343 2.947 30 20 BFED C=C(CC)C(=O)N1C[C@H](C)CC(C)(C)C1 1123686652 PBCFIQPIQLTCRP-SNVBAGLBSA-N 209.333 2.847 30 20 BFED Cc1cc(N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)ncc1C#N 1164177726 WTJWWLUIOAXQIM-FOUMNBMASA-N 227.311 2.718 30 20 BFED C=C[C@H](COC)N[C@@H]1CCc2c(C)cccc21 1255018508 GWJLVZYCJXXXQM-IUODEOHRSA-N 231.339 2.773 30 20 BFED C[C@H](C#N)OC(=O)C1C[C@H]2CCC[C@H](C1)C2 1255926705 FRZNFOYZLBFETP-VWYCJHECSA-N 221.300 2.658 30 20 BFED C=CC(C)(C)C(=O)N1CC(C)(C)C1(C)C 1261260497 POUCWCFZXVKOMN-UHFFFAOYSA-N 209.333 2.846 30 20 BFED COc1ccccc1C(=O)OC1(CC#N)CCC1 1263487159 BVPGRESYXPKZDL-UHFFFAOYSA-N 245.278 2.688 30 20 BFED CCCNN=Cc1c(Cl)cccc1N(C)C 1324577598 MVRCPWSSSWQXAX-UHFFFAOYSA-N 239.750 2.740 30 20 BFED C=CCCC(C)(C)NC(=O)NC/C=C/C1CC1 1327719173 QRHMJHGJRMQPCM-VOTSOKGWSA-N 236.359 2.997 30 20 BFED C#CCN(CC1CC1)C(=O)C[C@H]1C=CCCC1 1343111032 WVOMXBXWGUMHBT-ZDUSSCGKSA-N 231.339 2.605 30 20 BFED C=C(CC(C)C)C(=O)N(C)c1nccs1 1347628403 PNLSPHPTFSUWTP-UHFFFAOYSA-N 224.329 2.708 30 20 BFED C=C(CC(C)C)C(=O)NC[C@H]1CCCS1 1348102262 PHHNILCYUJNSCO-LLVKDONJSA-N 227.373 2.601 30 20 BFED C=C[C@H](CC)CC(=O)OCC(C)(C)OC 1518977256 DJTLTWVRUOFXFE-SNVBAGLBSA-N 214.305 2.557 30 20 BFED C=C(CC(C)C)C(=O)N[C@@H]1CCCc2c[nH]nc21 1519813081 XYGVBILALSYZQR-GFCCVEGCSA-N 247.342 2.506 30 20 BFED CCCC(=O)O[C@@H](CC#N)c1ccco1 1520425295 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211.349 2.698 30 20 BFED SCc1cc(Cl)c2c(c1)OCCO2 86895237 BGJROYQMDHAFNN-UHFFFAOYSA-N 216.689 2.541 30 20 BFED C=CCCOCCN[C@H]1CCc2ccccc21 90883513 PAABJMWWBMVEPG-HNNXBMFYSA-N 231.339 2.856 30 20 BFED C[C@H](CC1CC1)NC(=O)Nc1ccc(C#N)cc1 112713156 MTSVQYOQUZGFBK-SNVBAGLBSA-N 243.310 2.868 30 20 BFED C=C(C)CNCc1c(C)nn(CCC)c1C 119647595 HQSGWXWNKMUZKT-UHFFFAOYSA-N 221.348 2.576 30 20 BFED C=CC[C@@H](C)[C@H](C)N[C@H]1CC[C@@H](CO)CC1 120201597 CUKIUCQAAILSAI-XJFOESAGSA-N 225.376 2.728 30 20 BFED C=CCC[C@@H](NCC(C)(C)OC)C1CC1 121672714 HKPUGTOCRYINEA-GFCCVEGCSA-N 211.349 2.746 30 20 BFED Oc1nc2ccccc2cc1/C=N/C1CC1 121765878 CXWMIYDCMQXTAH-RIYZIHGNSA-N 212.252 2.522 30 20 BFED C#CCCOC(=O)[C@H](C)Cc1ccccc1F 121927630 IRHJIKFWPDHXBS-LLVKDONJSA-N 234.270 2.571 30 20 BFED C=C(C)CNC(=O)c1c(C)oc(C)c1C 122947492 WUGFADYNHFLSRG-UHFFFAOYSA-N 207.273 2.511 30 20 BFED C=CCc1cc([N+](=O)[O-])ccc1OCCC#N 123833378 ILXXFJPBQWFOEB-UHFFFAOYSA-N 232.239 2.616 30 20 BFED C=CC1CCN(c2cncc(OC(C)C)n2)CC1 124355785 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20 BFED C=CC[C@H](C)N[C@@H](C)c1ccc(F)cn1 161667916 CCIJOAIJAGZUHL-UWVGGRQHSA-N 208.280 2.836 30 20 BFED C=C(C)CN(C)C(=O)Cc1c[nH]c2ccccc12 165913725 AETRYHCCRMLYIX-UHFFFAOYSA-N 242.322 2.745 30 20 BFED C[C@H](C1CC1)N(CCCCC#N)C1CC1 171031736 LCCVUPWANYLMSW-LLVKDONJSA-N 206.333 2.943 30 20 BFED CC(C)(C)C[C@@H](O)CNCC(C)(C)CCC#N 174406438 QZFZQADIRLHNPE-GFCCVEGCSA-N 240.391 2.703 30 20 BFED C=CCOCCCC(=O)N[C@@H]1CCCC1(C)C 175000526 SZTNIXNTVFVAJH-GFCCVEGCSA-N 239.359 2.664 30 20 BFED CC[C@@H](CC#N)NC(=O)N(C)Cc1ccccc1 185925371 ZIOTXVNRBGTUMW-ZDUSSCGKSA-N 245.326 2.520 30 20 BFED C=CCCOCCN[C@@H](C)c1cc(C)ccc1O 186185943 LJDONMSLUZJVJB-ZDUSSCGKSA-N 249.354 2.944 30 20 BFED Cc1ccc(C[S@](=O)CCCC#N)cc1 190746265 MASUAMIUCKLGEL-OAHLLOKOSA-N 221.325 2.548 30 20 BFED CCCC1(CNCc2cc(C#N)n(C)c2)CCC1 191317853 ZTPPWLBFAIMREN-UHFFFAOYSA-N 245.370 2.957 30 20 BFED N#CCCCCN1CCC(c2ccncc2)CC1 191628961 AOTMWFPGVDHFDU-UHFFFAOYSA-N 243.354 2.955 30 20 BFED C=CCCC[C@H](C)N[C@H](C)c1ccnn1C 193071168 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202.301 2.697 30 20 BFED N#Cc1ccc(-c2cnco2)c(Br)c1 260833037 XFUPDJWLVSMGRH-UHFFFAOYSA-N 249.067 2.976 30 20 BFED C#CC(C)(C)NC(=O)C[C@@H](C)c1ccc(F)cc1 265070202 TXZCJNKHUUSMJW-LLVKDONJSA-N 247.313 2.847 30 20 BFED C=C(C)[C@@H](CC(=O)N1CC=C(C)CC1)OCC 270025015 AJFPOMSYUOOTLT-CYBMUJFWSA-N 237.343 2.536 30 20 BFED C=C(Cl)CNC(=O)C[C@@H]1CCC[C@@H]1C 274421069 QGRNZGQWFUEEFZ-WPRPVWTQSA-N 215.724 2.681 30 20 BFED CC#CC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 277693812 NUQQDVOUXGQEKG-CQSZACIVSA-N 241.334 2.939 30 20 BFED CC#CC(=O)NC1(Cc2ccccc2)CCCC1 278426787 RIHZOBHZBLWNHL-UHFFFAOYSA-N 241.334 2.681 30 20 BFED CC[C@H](C)C(=O)Nc1cc(C#N)ccc1NC 281148340 KRJCYVVROHSPTN-VIFPVBQESA-N 231.299 2.585 30 20 BFED C=CC[C@H](CC)NC(=O)Cc1ccc(C#N)cc1 281494242 VOMYEZLUTZRXJR-AWEZNQCLSA-N 242.322 2.572 30 20 BFED C=CC[C@@H](CC)NC(=O)/C=C/c1cncs1 282784860 RUZZQFUUKKAURF-VQCYPWCPSA-N 236.340 2.627 30 20 BFED CC#CC(=O)N(CC)[C@H](CC)Cc1ccccc1 283313985 VFMPTGUFWRDRFT-OAHLLOKOSA-N 243.350 2.880 30 20 BFED 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236.315 2.832 30 20 BFED C=CCCC[C@@H](N)C(=O)Nc1cccc(C)c1C 911904049 LXTVWXWEUFGRDG-CYBMUJFWSA-N 246.354 2.926 30 20 BFED C=C(C)CNC(=S)NCCCC1CCCC1 912969328 YSSAYSPMPUSDNK-UHFFFAOYSA-N 240.416 2.997 30 20 BFED C=CCOC(=O)COc1ccccc1C(C)C 916592316 XLIBACALNQQMKH-UHFFFAOYSA-N 234.295 2.918 30 20 BFED C=C[C@H](CC)CC(=O)N1CCC[C@@H](OCC)C1 930667906 UAAMIZKTHRVPIZ-CHWSQXEVSA-N 239.359 2.616 30 20 BFED C#Cc1ccc(NC(=O)NOCCC2CC2)cc1 934930746 QTFBUNOEQACHMG-UHFFFAOYSA-N 244.294 2.521 30 20 BFED C#CCCNc1ccc2c(C)cc(=O)oc2c1 1116398737 ILIHNGSMXHUFHS-UHFFFAOYSA-N 227.263 2.537 30 20 BFED CC(=NNCC(C)C)c1cccc([N+](=O)[O-])c1C 1116458207 ZQYDFXXSSBLZJP-UHFFFAOYSA-N 249.314 2.873 30 20 BFED C=CCCC(CCC)=NNc1ccn(C)n1 1117703882 IMUFHTPBSBDGOV-UHFFFAOYSA-N 220.320 2.954 30 20 BFED C=CCCN(OCc1ccccc1)C(=O)C=C 1120553470 AOSOTDYGNDVCEC-UHFFFAOYSA-N 231.295 2.709 30 20 BFED C[C@@H]1CC=C(C(=O)O[C@@H]2CC[C@@H](C#N)C2)CC1 1122732415 VNYZWNBGLBBHCW-NQBHXWOUSA-N 233.311 2.968 30 20 BFED 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CCCCCCCOC(=O)C(C)(C)NC(=O)O 736984353 XSISMXGXWKUNPV-UHFFFAOYSA-N 245.319 2.546 30 20 BFED C=CCCCON=C(N)c1ccc(F)c(C)c1 740872687 LFUWAHOTCMTMAH-UHFFFAOYSA-N 236.290 2.737 30 20 BFED COc1ccc(C=NNCC(F)F)cc1Cl 741459937 HMKRCMBQSWQFPD-UHFFFAOYSA-N 248.660 2.537 30 20 BFED C#CCCCNC(=O)C[C@H]1CCC[C@H](C)C1 742788307 POWJGAAJXRYFTK-STQMWFEESA-N 221.344 2.732 30 20 BFED C=CCCOC(=O)c1cc(F)c(F)cc1F 747215208 SUUJTWQFMNUZDI-UHFFFAOYSA-N 230.185 2.837 30 20 BFED N#Cc1ccc(C(=O)OCCC(F)(F)F)s1 750396068 SPIGBJVXDOSBHO-UHFFFAOYSA-N 249.213 2.729 30 20 BFED CC(=NNc1nc(-c2ccncc2)no1)C(C)C 750949347 UYFNFWFKNYCTKI-UHFFFAOYSA-N 245.286 2.575 30 20 BFED C#CC(=O)N1CCC[C@H]1Cc1ccccc1Cl 753957293 MEFQDCUYOUBYOO-LBPRGKRZSA-N 247.725 2.507 30 20 BFED Clc1ccccc1NN=Cc1cnc[nH]1 755470799 DVJPIXQNPLBIOQ-UHFFFAOYSA-N 220.663 2.509 30 20 BFED CC1=CC(=NNC2CCOCC2)CC(C)(C)C1 757589077 CSEFTJLNFMTAPQ-UHFFFAOYSA-N 236.359 2.877 30 20 BFED C=CCN(C(=O)[C@@H]1CC12CCC2)C(C)C 759783909 MZSNCGIVJWYPHN-NSHDSACASA-N 207.317 2.600 30 20 BFED C[C@H](C=NNc1ncc(F)cn1)c1ccccc1 760255084 RWUKTJMDKJNBEN-SNVBAGLBSA-N 244.273 2.817 30 20 BFED C#CCCN1CCc2c(Cl)cccc21 760858831 BUDHBGOARTTWSM-UHFFFAOYSA-N 205.688 2.726 30 20 BFED Cn1cc(NN=C/C=C\c2ccc(F)cc2)cn1 761866252 HKPURGZMFBHGRG-TVQNOTQJSA-N 244.273 2.670 30 20 BFED C[C@H]1CC/C(=C/C(=O)OCC2(C#N)CCC2)C1 768090221 FGYPTZCHSLNCTP-LCFDYFRESA-N 233.311 2.970 30 20 BFED CCCCCCCN1C[C@@H](C)N(C)C[C@H]1C 768767804 AXQHSCXHCRTALT-ZIAGYGMSSA-N 226.408 2.981 30 20 BFED CC(=NNCC(F)(F)F)c1cc(C)ccc1O 769821037 GRZWUSWORVDRIV-UHFFFAOYSA-N 246.232 2.577 30 20 BFED C#C[C@@H](C)N(C)CCc1ccccc1CC 769978058 OGWNWCAHVZPQEA-CYBMUJFWSA-N 215.340 2.745 30 20 BFED C#CCOCCC(=O)Nc1ccc(CC)c(C)c1 770266914 FUTJHODHZRYTMH-UHFFFAOYSA-N 245.322 2.536 30 20 BFED C=C(C)CON=C(C)c1ccc2c(c1)CCO2 771653246 ZCXZMIQCAAFNEC-UHFFFAOYSA-N 231.295 2.938 30 20 BFED CC(=O)c1ccc(C(=O)O[C@H](C)C(C)(C)C#N)o1 774159678 RBJCRXPZEYBDCX-SECBINFHSA-N 249.266 2.577 30 20 BFED C=C(C)CN(CC)C(=O)NOC1CCCCC1 779683478 ZWIOAZOWBNDZGN-UHFFFAOYSA-N 240.347 2.858 30 20 BFED CC(C[C@@H](C)CC(C)C)=NN1CCOCC1 779757918 MOEGIDHOIABMKU-LBPRGKRZSA-N 226.364 2.767 30 20 BFED CC(C)(C)CCNN=Cc1ccc([N+](=O)[O-])o1 782906642 CKCIBPZMAGKMTQ-UHFFFAOYSA-N 239.275 2.548 30 20 BFED C#Cc1cccc(NC(=O)[C@@H](F)C(C)C)c1 784036348 BCFZUVVPMLNTDB-LBPRGKRZSA-N 219.259 2.601 30 20 BFED Cc1ccncc1/C=C\C(=O)OCCCCC#N 784871396 DNONGURCDMVATQ-WAYWQWQTSA-N 244.294 2.640 30 20 BFED C#CCCCCNC(=O)N1CCCC[C@@H]1C=C 787283301 OXXRUQCXKDNKGA-ZDUSSCGKSA-N 234.343 2.540 30 20 BFED C#C[C@H](C)NC(=O)Nc1ccccc1OCCC 789834789 AODZKVOTJJIQTN-NSHDSACASA-N 246.310 2.619 30 20 BFED C=CCC1(C(=O)OCCOC2CCC2)CCC1 791828580 UVWZFMWJIRNENA-UHFFFAOYSA-N 238.327 2.845 30 20 BFED Cc1csc(C=NN[C@H](C)C(C)(C)C)n1 793114327 GCECYKZHKMQPAE-SECBINFHSA-N 225.361 2.810 30 20 BFED CCCCC(C)=NNc1ncncc1F 793218306 SNZLIAGFFSSHAC-UHFFFAOYSA-N 210.256 2.594 30 20 BFED Cc1ccoc1C/N=C\c1cccc(O)c1O 793653770 GWBASMMSULISEG-AUWJEWJLSA-N 231.251 2.618 30 20 BFED Fc1cccc(NN=C/C=C/c2ccco2)n1 795007708 NATPPRMKEQOZGZ-GIBWFFBWSA-N 231.230 2.925 30 20 BFED C=CCN(CCO[C@@H](C)C#N)Cc1ccccc1 801911184 VKXFNJACJFOCAY-AWEZNQCLSA-N 244.338 2.603 30 20 BFED Cc1ccnc2ccc(C(=O)O[C@H](C)C#N)cc12 803868022 XSERMQSUNWORPC-SNVBAGLBSA-N 240.262 2.612 30 20 BFED O=C(/C=C/c1cnccn1)c1cccc(F)c1F 809157571 LKZFKXZILOIIEW-SNAWJCMRSA-N 246.216 2.651 30 20 BFED C[C@H](O)c1cc(N[C@@H]2CC[C@@H](C#N)C2)ccc1F 809715417 BSKKSKDBEDUGAX-HBNTYKKESA-N 248.301 2.983 30 20 BFED Nc1ccc2c(c1)C(=NOCC(F)F)CCC2 814903866 FLXVQTVKLFYSLO-UHFFFAOYSA-N 240.253 2.591 30 20 BFED CC[C@@H](C#N)OC(=O)c1cccc(F)c1C 817244061 UANWZNBCCPZCDJ-VIFPVBQESA-N 221.231 2.593 30 20 BFED C=CCCO[C@H](C)C(=O)OC[C@H](C)C1CCC1 817752568 IAQCFAQXBJWEPK-NWDGAFQWSA-N 240.343 2.947 30 20 BFED C#C[C@@H](CCC)NC(=O)N1CCCC[C@H]1C=C 820660251 HSHGNEDSEIJXRN-QWHCGFSZSA-N 234.343 2.538 30 20 BFED C#Cc1cccc(CN[C@@H]2CSC[C@@H]2C)c1 825226807 MKZDGKLGMADSCR-SMDDNHRTSA-N 231.364 2.509 30 20 BFED C=CCCCC(=O)Nc1ccc(CC(=O)O)cc1 825671075 BXCMLIXNEUBLMH-UHFFFAOYSA-N 247.294 2.609 30 20 BFED C#CCNc1cc(OCC)ccc1Cl 834633419 HBBXLJFGLLVBGG-UHFFFAOYSA-N 209.676 2.784 30 20 BFED CC[C@H](C)CC=NN1C(=O)c2ccccc2C1=O 834917108 YDOIRRZXZKKTGK-JTQLQIEISA-N 244.294 2.705 30 20 BFED CC(=NOC(C)C)c1ccc(OCC#N)cc1 835003853 AOWPYOQECWWMNA-UHFFFAOYSA-N 232.283 2.738 30 20 BFED C#C[C@H](CC)OC(=O)C[C@]1(C)CC1(Cl)Cl 835309998 UINWAPHDUZDPAF-PSASIEDQSA-N 249.137 2.915 30 20 BFED N#CC1(COC(=O)[C@@H]2CCCCC2(F)F)CC1 835414948 SODHYZNOBXPHAX-VIFPVBQESA-N 243.253 2.659 30 20 BFED C=CC(C)(C)C(=O)OC[C@@H](OC)[C@H](C)CC 835624430 UPFODPLZNNTHBP-GHMZBOCLSA-N 228.332 2.803 30 20 BFED C=CCC(C)(C)C(=O)O[C@@H](C)c1csnn1 836090882 HIVUBJOQBHZATE-QMMMGPOBSA-N 240.328 2.745 30 20 BFED C#CCCCCCC(=O)NCc1cnccc1C 836852086 UDVDAOFMUZGGFJ-UHFFFAOYSA-N 244.338 2.590 30 20 BFED C#CCCCCC(=O)NCCC1CC(F)(F)C1 837219282 PUNDVNZXEYDLGP-UHFFFAOYSA-N 243.297 2.732 30 20 BFED C[C@H](C1CC1)N(C(=O)C#CC(C)(C)C)C1CC1 837339621 YRDWKEYHTAXKML-LLVKDONJSA-N 233.355 2.825 30 20 BFED C=CCCCCOC(=O)[C@@H](O)c1ccccc1 837340744 IBIVUTQVLVUCSK-ZDUSSCGKSA-N 234.295 2.620 30 20 BFED C[C@H](c1ccco1)N(C(=O)C#CC1CC1)C1CC1 837360585 UYRGFQRUJJDDDT-LLVKDONJSA-N 243.306 2.745 30 20 BFED C#CCC[C@@H](C)OC(=O)c1cccc(C(C)=O)c1 839040692 CRBRMLOOFMXHPX-LLVKDONJSA-N 244.290 2.848 30 20 BFED C=C(Cl)CNC(C)(C)C1CCOCC1 839586424 SAZZZJYXEUCYMF-UHFFFAOYSA-N 217.740 2.534 30 20 BFED CC(=NOCCC1CC1)c1cccc2c1OCO2 841640219 HXVIMZXJDQJJJP-UHFFFAOYSA-N 247.294 2.956 30 20 BFED C=C[C@@H](C)ONC(=O)Nc1ccc(F)cc1C 844488492 WDELQPAAWXOQQE-SECBINFHSA-N 238.262 2.762 30 20 BFED C=CCOC(=O)CCCc1ccc(F)cc1 847627492 QRNBSEIRTWOXLH-UHFFFAOYSA-N 222.259 2.878 30 20 BFED C=C[C@H](OC(=O)[C@@H]1C[C@@H]1OCC)c1ccccc1 851453621 RTTZCEDWOKNUPE-RDBSUJKOSA-N 246.306 2.882 30 20 BFED COCCCC(C)=NN1CCCC[C@H]1C 853378674 AVSZHJDMKGTSDB-GFCCVEGCSA-N 212.337 2.663 30 20 BFED O=[N+]([O-])c1ccccc1CON=CC1CC1 853735898 DKAVHXBEHRZROI-UHFFFAOYSA-N 220.228 2.507 30 20 BFED C#C[C@@](C)(CC)NC(=O)[C@H](C)c1ccc(C)o1 854698298 WXWAIIWJYKMIMM-RISCZKNCSA-N 233.311 2.610 30 20 BFED C/C(=C\C(=O)NC1(C#N)CCC1)c1cccs1 857599643 FJCLOBNAQBHORW-CSKARUKUSA-N 246.335 2.714 30 20 BFED CO[C@H]1CC(=NNc2cccc(C)n2)C12CCC2 863160818 RWCYTSVVDUUYMP-LBPRGKRZSA-N 245.326 2.747 30 20 BFED C(=NN1CCC1)c1ccc(C2CC2)cc1 872398579 XVFLRGQFYDQMFC-UHFFFAOYSA-N 200.285 2.604 30 20 BFED C#CCCCCCCN[C@H]1CCN(C)[C@@H](C)C1 877070151 LMSVBFCKOYDVMW-GJZGRUSLSA-N 236.403 2.642 30 20 BFED C#CCCCCCCN1CCN(C)C[C@H]1CC 877552243 AQCPYZDNQPNHBU-OAHLLOKOSA-N 236.403 2.596 30 20 BFED C=CCN(C(=O)Nc1cc(C)nc(C)n1)C(C)C 880310464 CGJYWTIRSDJQJN-UHFFFAOYSA-N 248.330 2.522 30 20 BFED C=C1CCC(C(=O)NC[C@H](C)SC)CC1 889673866 SGVIYYDVYQBNMA-JTQLQIEISA-N 227.373 2.601 30 20 BFED CCC(CC)CNc1ccc(C#N)cc1CO 892338933 AQTOGDDDHDTEML-UHFFFAOYSA-N 232.327 2.899 30 20 BFED C[C@@H]1CC[C@@H](CNc2ccc(C#N)cc2CO)C1 893623522 HOWQUBQKMBBSFF-DGCLKSJQSA-N 244.338 2.899 30 20 BFED CC(C)N(CC1CC1)C(=O)NCC1(CC#N)CC1 894568248 ZUPIKGZIZRZPMZ-UHFFFAOYSA-N 249.358 2.510 30 20 BFED C=CCC1(O)CCN(Cc2ccc(CC)o2)CC1 895836202 YOACSIAHNAAPTG-UHFFFAOYSA-N 249.354 2.745 30 20 BFED C=C[C@](C)(CC)c1nc(-c2ccnc(O)c2)no1 896903225 MQVPWQFLNQHYTM-CYBMUJFWSA-N 245.282 2.691 30 20 BFED N#Cc1ccnc(CSCC2CC2)c1 901550729 YUNZAEWPNBHCME-UHFFFAOYSA-N 204.298 2.596 30 20 BFED C=CCN(CC(=O)O)C[C@H]1C(C)=CCC[C@H]1C 901585726 CMKHGFMJMGVVCF-OLZOCXBDSA-N 237.343 2.551 30 20 BFED CC[C@H](N[C@@H](C)C[C@H](C)O)c1cccc(C#N)c1 902948026 ODFQMQZLLRXMJW-HUBLWGQQSA-N 246.354 2.758 30 20 BFED CCCCCCCOC(=O)c1cc[nH]n1 919108969 UVUSNSRHWPFHJF-UHFFFAOYSA-N 210.277 2.537 30 20 BFED CC[C@@H]1C[C@H]1COC(=O)c1ccsc1C#N 923567675 SQHFWOKADIYBKP-BDAKNGLRSA-N 235.308 2.823 30 20 BFED C[C@H](CC(C)(C)C#N)NCc1ccccc1CO 924761560 SWLYPOFQQLXVEE-GFCCVEGCSA-N 246.354 2.597 30 20 BFED Cc1cnc(CN[C@@H](C)CC(C)(C)C#N)s1 925150577 DWWUURDCBXIFFC-VIFPVBQESA-N 237.372 2.870 30 20 BFED C=C[C@@H](CC)CC(=O)NC[C@H](O)C(CC)CC 934772646 MLWMQGAGQLFVKY-AAEUAGOBSA-N 241.375 2.502 30 20 BFED Cc1cc(OCc2cccc(C#N)c2)ccn1 1116907039 CNIIAGIINBPECN-UHFFFAOYSA-N 224.263 2.841 30 20 BFED CC(C)C#Cc1nnc(CC(C)(C)C)o1 1118430904 ZEEBWUXMNCTNBS-UHFFFAOYSA-N 206.289 2.666 30 20 BFED C=CCCN(C)C(=O)C12CCC(CC1)CC2 1120636396 MHHVCAQATRTHMF-UHFFFAOYSA-N 221.344 2.991 30 20 BFED C#Cc1ccc(N[C@H]2CC[C@@H](SC)C2)nc1 1120818770 XXDLRJUSAWVBMT-NWDGAFQWSA-N 232.352 2.759 30 20 BFED Cc1cc(N(C)Cc2ccsc2)ncc1C#N 1166822261 BYCKXOAMGCEYNJ-UHFFFAOYSA-N 243.335 2.960 30 20 BFED CN(CCCC#N)Cc1cc2ccccc2[nH]1 1252732428 DSUUXZSWVHMKEH-UHFFFAOYSA-N 227.311 2.903 30 20 BFED C=C[C@@H]1CCCCN1C(=O)[C@H](C)n1cccc1 1256140550 PWDJOVYJMGRZMK-QWHCGFSZSA-N 232.327 2.616 30 20 BFED Cc1cc(C[S@@](=O)CCCCC#N)cs1 1262166532 GVDWMFVERRGHCV-HNNXBMFYSA-N 241.381 2.999 30 20 BFED C#CCC[C@H](C)OC(=O)c1cnn(CCC)c1C 1263511374 JEKGFZBZXBOLKX-NSHDSACASA-N 248.326 2.560 30 20 BFED CCCCCCCC(=O)OCc1csnn1 1318949794 PHCSYBDAANYGHR-UHFFFAOYSA-N 242.344 2.942 30 20 BFED N#CCCCNC(=O)N1CC[C@H]2CCCC[C@H]2C1 1325238035 RZNPUZHTQLGBNU-OLZOCXBDSA-N 249.358 2.512 30 20 BFED C=CCC[C@H](NCC[N+](=O)[O-])c1ccccc1 1334661311 IFSOHCILPFXIHF-ZDUSSCGKSA-N 234.299 2.560 30 20 BFED C=CCC[C@H]1CCCN1C(=O)[C@H]1CCSC1 1336215072 ASAQXOUMAHTHRN-RYUDHWBXSA-N 239.384 2.697 30 20 BFED C#Cc1ccc(NCC2(CCOCC)CC2)nc1 1337902000 OXWQDSCUMJFURQ-UHFFFAOYSA-N 244.338 2.682 30 20 BFED C=CCC[C@@H]1CCCN1c1cccc2nncn12 1338156003 UCMGIAXIMIBWJF-GFCCVEGCSA-N 242.326 2.664 30 20 BFED C=CC(C)(C)CC(=O)OC[C@@](C)(CC)OC 1343489270 HTJUWJRHYDSIHF-CYBMUJFWSA-N 228.332 2.947 30 20 BFED C=C[C@H](CC)CC(=O)OC[C@H](OC)C1CC1 1343499500 DBFZFTKZCRYYCL-PWSUYJOCSA-N 226.316 2.557 30 20 BFED CCn1ccnc1[C@@H](C#N)C(=O)C1(C)CCCC1 1344325842 OAGAYRVOPQNYLG-NSHDSACASA-N 245.326 2.660 30 20 BFED C[C@H]1CC[C@H](C)N1C(=O)c1csc(C#N)c1 1347825510 NCJLHCLMXSMEPQ-IUCAKERBSA-N 234.324 2.633 30 20 BFED C=C(CC)C(=O)N(C1CC1)[C@H](C)C(C)C 1350953276 FLTWORBOMUVOOV-LLVKDONJSA-N 209.333 2.988 30 20 BFED C=C(Cl)CNC(=O)c1ccc2cnccc2c1 1565817228 IEAHQUDYQHDENG-UHFFFAOYSA-N 246.697 2.717 30 20 BFED O=C(CCCCc1ccc(Cl)cc1)NO 26502748 PRMXJXDYJXBBPT-UHFFFAOYSA-N 227.691 2.558 30 20 BFED in-vivo CC[C@H](C#N)C(=O)N(C)Cc1ccc(C)cc1 44813570 UKOAXGCWVVCGEM-CYBMUJFWSA-N 230.311 2.503 30 20 BFED C=C(C)CSc1ncn(-c2ccccc2)n1 48406148 RABHHMHRTWLMRY-UHFFFAOYSA-N 231.324 2.936 30 20 BFED C#CCN(C)Cc1csc2ccccc12 51853489 VLAHUYMXGXFCMP-UHFFFAOYSA-N 215.321 2.966 30 20 BFED Cc1cccc(CCN[C@@H]2CCC[C@@H]2C#N)c1 54829298 SYBQIAWHSCPTLR-HUUCEWRRSA-N 228.339 2.819 30 20 BFED N#CCCCOc1cccc(CN2CCCC2)c1 59295685 HVCHRYDZFFLOEN-UHFFFAOYSA-N 244.338 2.965 30 20 BFED N#CC1CCN(C(=O)CC2CCCCC2)CC1 61585647 XZHAMNBMIYQVHF-UHFFFAOYSA-N 234.343 2.719 30 20 BFED C=C(C)CN(CCO)[C@@H]1CCCc2ccccc21 74312182 YPLDUVJJJUWVFR-MRXNPFEDSA-N 245.366 2.934 30 20 BFED C#Cc1cccc(N(C(=O)C2CC2)C(C)C)c1 77293912 PVQGDOYYXLOVNX-UHFFFAOYSA-N 227.307 2.819 30 20 BFED CC[C@@H](C#N)OC(=O)[C@@H](C)Cc1ccccc1F 84711010 SOQRKYATFZZOID-JQWIXIFHSA-N 249.285 2.850 30 20 BFED C=CCCC(=O)OCc1ccc(C#N)cc1 102506352 ZOHSTYFALHWLDV-UHFFFAOYSA-N 215.252 2.568 30 20 BFED C#CCCOC(=O)C[C@H](C)c1cccc(F)c1 116594078 WNRUGFCMJAWBCS-NSHDSACASA-N 234.270 2.886 30 20 BFED CN(CCCCC#N)Cc1cc(Cl)cn1C 119982622 UBLZVPWRDPFKDZ-UHFFFAOYSA-N 239.750 2.804 30 20 BFED C=C(C)COCCNC[C@@H]1CC=CCC1 124889717 XYMMJBFWPBAAHD-CYBMUJFWSA-N 209.333 2.525 30 20 BFED CC[C@H](C(=O)NC[C@@H](C)C#N)c1ccc(F)cc1 125111273 UXLUGXYKWVCVMP-GWCFXTLKSA-N 248.301 2.595 30 20 BFED C=C(C)CN(CC)CCCCn1ccnc1C 125451245 ZFFYJYBTLCRCMG-UHFFFAOYSA-N 235.375 2.870 30 20 BFED C=CCC[C@H](C)NC[C@@H](CC(C)C)N(C)C 126748616 NFWYREOMCWYWCZ-UONOGXRCSA-N 226.408 2.907 30 20 BFED C=CCCSc1nnc(-c2ccco2)n1C 128542088 MLHRUDQGTWLFSK-UHFFFAOYSA-N 235.312 2.743 30 20 BFED CCCCCCCC(=O)N[C@H]1C[C@@H](O)C1(C)C 130069486 JJKNBDKMZOHAPT-NWDGAFQWSA-N 241.375 2.623 30 20 BFED C=C[C@H](C)NCc1cc(Cl)ccc1O 130478925 KFBVQFARVZSPEJ-QMMMGPOBSA-N 211.692 2.710 30 20 BFED C=C[C@](C)(CC)C(=O)NCCOC1CCCC1 134964922 TVSKIKLFJBABTL-CQSZACIVSA-N 239.359 2.664 30 20 BFED Cc1ccc(C)c(CN[C@H](C)CC#N)c1 134972852 HRWPUDLGXMUVCO-GFCCVEGCSA-N 202.301 2.695 30 20 BFED CC(C)[C@H]1CCCN1c1ccc(C#N)nc1 149381086 MYJBAHXSECGSSY-CYBMUJFWSA-N 215.300 2.578 30 20 BFED C#CCN(CC1CC1)C(=O)c1ccc(C)c(F)c1 156781103 UIKGTTKPWNROSN-UHFFFAOYSA-N 245.297 2.620 30 20 BFED CCCCCCCC(=O)N[C@@H](CCO)C(C)C 160632551 QUZFKAORESFTRW-ZDUSSCGKSA-N 243.391 2.870 30 20 BFED C=CCN(C)C(=O)CCc1cc(Cl)cs1 161544586 BRWLBHMSBRLNLY-UHFFFAOYSA-N 243.759 2.979 30 20 BFED C#C[C@H](C)NCc1cc(F)cc(Cl)c1 168279387 LYNRCFZAUVQJCH-QMMMGPOBSA-N 211.667 2.590 30 20 BFED C=CCCOC(=O)CCc1cccs1 171485029 WIUVITJLSIBMOR-UHFFFAOYSA-N 210.298 2.800 30 20 BFED CC#CCOC(=O)/C=C(\C)c1ccccc1 175364615 AXVBKFADHUPPSH-VAWYXSNFSA-N 214.264 2.656 30 20 BFED N#Cc1cc(NC(=O)[C@@H]2C[C@H]2C2CC2)ccc1F 177136380 XUMHIMUCCCDGBA-NWDGAFQWSA-N 244.269 2.682 30 20 BFED CC(C)[C@H](C)C(=O)Nc1nn(C(C)C)cc1C#N 177397727 MITDEWAHEZGYHY-JTQLQIEISA-N 248.330 2.566 30 20 BFED C[C@@H]1Cc2ccccc2CN1c1ccc(C#N)cn1 184174832 NNURIYLEBYDDPS-GFCCVEGCSA-N 249.317 2.904 30 20 BFED 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2.585 30 20 BFED C=CCN(CCc1ccco1)CC1=CCCOC1 272662050 RPSRCLLUXMHIBT-UHFFFAOYSA-N 247.338 2.657 30 20 BFED Cc1cc(C)cc(NC(=O)NCCCC#N)c1 273226386 SYKPJBYUOLPPAQ-UHFFFAOYSA-N 231.299 2.729 30 20 BFED C[C@H]1CCN(Cc2cc(C#N)n(C)c2)[C@H](C)C1 276787995 SBEGQEWGBZQNJE-NWDGAFQWSA-N 231.343 2.517 30 20 BFED CC[C@@H](NC1CC1)c1ccc(C#N)cc1 278303665 SGOYUYMZOYATNN-CYBMUJFWSA-N 200.285 2.761 30 20 BFED CC(C)n1ccc(NCc2ccccc2C#N)n1 280087288 SCFQFPYGSZTRBJ-UHFFFAOYSA-N 240.310 2.948 30 20 BFED C=CC[C@H](CC)NC(=O)Nc1cccnc1 281311755 JXSGSCNZNZTNEG-JTQLQIEISA-N 219.288 2.558 30 20 BFED C=CC[C@H](CC)NC(=O)N1CCC[C@H]1C 281381271 OJBKINLNUKUHPP-MNOVXSKESA-N 210.321 2.535 30 20 BFED C=CC[C@@H](CC)Nc1ncnc2[nH]ccc12 281742455 XDXCSTOBMFBVFY-SECBINFHSA-N 216.288 2.725 30 20 BFED C=CC[C@@H](CC)NC(=O)/C=C/c1ccn(C)c1 281794370 SKEALRYQAKSMKD-SBDDDAINSA-N 232.327 2.509 30 20 BFED C[C@@H]1CCN(C(=O)c2cc(C#N)ccc2Cl)C1 286420915 MIOHPMNCJITDLO-SECBINFHSA-N 248.713 2.694 30 20 BFED CON(CC(C)(C)C)C(=O)c1cccc(C#N)c1 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BFED N#Cc1ccc(CN[C@@H]2CCCC[C@H]2F)s1 335631420 OCKNVYZTLBWMLE-VXGBXAGGSA-N 238.331 2.990 30 20 BFED C=C(C)CN(C)C(=O)c1ccc(F)cc1F 335865322 KLKHPUMVYADPEC-UHFFFAOYSA-N 225.238 2.613 30 20 BFED C=CCNC(=O)N1CC[C@@H](c2cccc(C)c2)C1 335886726 RWHNXJMTJZXRSX-CQSZACIVSA-N 244.338 2.680 30 20 BFED C=C(C)C[C@H](C)C(=O)N1CCC[C@](C)(F)C1 336303405 NUMXRYGARCYILO-AAEUAGOBSA-N 227.323 2.939 30 20 BFED CC[C@]1(C)CCN([C@H]2CC[C@@H](C#N)C2)C1 339017694 NWYHKGZLBIFLIT-FRRDWIJNSA-N 206.333 2.801 30 20 BFED C=C(C)[C@H](CC(=O)N(CC)CC1CC1)OCC 339364271 HCZIVCBQNHREQE-ZDUSSCGKSA-N 239.359 2.616 30 20 BFED C=CCCC[C@@H](C)NC(=O)NCCn1cccc1 342966245 PIULOMHQGZLRPI-CYBMUJFWSA-N 249.358 2.532 30 20 BFED CCN(CCC#N)C(=O)C[C@@H]1CCC[C@H]1C 346379102 GTBMMZGUUVPVKW-NEPJUHHUSA-N 222.332 2.575 30 20 BFED Cc1csc(-c2noc(CC(C)(C)C#N)n2)n1 346379918 DPVUYXIAKZESMT-UHFFFAOYSA-N 248.311 2.594 30 20 BFED COc1cccc(CSCC2(C#N)CC2)n1 346566203 OMXJXLIEJDJRQX-UHFFFAOYSA-N 234.324 2.627 30 20 BFED 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234.343 2.721 30 20 BFED C#Cc1ccc(NCC(O)(CCC)CCC)nc1 1337780492 ADTZCMZBXUUDKR-UHFFFAOYSA-N 246.354 2.806 30 20 BFED C#Cc1ccc(NCC[C@@H](OCC)C(C)C)nc1 1337795878 XYXASYDJWOAOOK-CQSZACIVSA-N 246.354 2.926 30 20 BFED C#Cc1ccc(NC[C@H]2CCCCS2)nc1 1337933751 YINZVZSUTUDGBS-GFCCVEGCSA-N 232.352 2.761 30 20 BFED Cc1ccc(NC(=O)C(C)(C)C#N)c(Cl)n1 1338400741 ZJQYQJJBOGUCAJ-UHFFFAOYSA-N 237.690 2.532 30 20 BFED CC1(C)CCC(=NNCC2CCOCC2)C1 1342193864 BXFPIMMLEIXAOO-UHFFFAOYSA-N 224.348 2.569 30 20 BFED CC(=NOC(C)(C)C)c1ccnc(F)c1 1345366832 HECISZDSDPHNGO-UHFFFAOYSA-N 210.252 2.760 30 20 BFED C=CCCC[C@H](C)NC(=O)C[C@H](N)CC(C)C 1574901489 KCLPDNWXFUCOJI-QWHCGFSZSA-N 240.391 2.611 30 20 BFED CC[C@H]1CCN(C(=O)C(C#N)(CC)CC)[C@H]1C 1585518922 YSCXJGQIWOTTFO-RYUDHWBXSA-N 236.359 2.963 30 20 BFED C[C@@H](SCCC(=O)O)c1cccc(C#N)c1 1589169849 PJVFPUAYJJHJJX-SECBINFHSA-N 235.308 2.827 30 20 BFED Cc1ccc(C[C@H](C#N)S[C@H](C)C(=O)O)cc1 1594355306 QKHSTVXJAHDQAV-ZYHUDNBSSA-N 249.335 2.636 30 20 BFED C=CCCC[C@H](NCc1ccccc1)C(=O)O 1776207246 GJXODRNRCQUQPJ-ZDUSSCGKSA-N 233.311 2.586 30 20 BFED CC[C@H](C)[C@H](C)NC(=O)C1(C#N)CCCC1 44382577 HIPHWVMPAPKCQM-QWRGUYRKSA-N 222.332 2.621 30 20 BFED C#CCN(C)[C@@H](C)c1ccc(Cl)cc1 45915474 GGJSCZKYSDURRV-JTQLQIEISA-N 207.704 2.966 30 20 BFED COCc1nc(-c2cccc(C#N)c2)cs1 62938323 IMBZZLXHMRCBTF-UHFFFAOYSA-N 230.292 2.828 30 20 BFED CC(C)[C@@H](C(=O)NC[C@@H](C)C#N)c1ccccc1 80183220 WAIUUGBWNZOTFK-GXTWGEPZSA-N 244.338 2.702 30 20 BFED CC(C)CCN(C)C(=O)c1cc(C#N)cs1 84076774 KAARRQLRMDFGMD-UHFFFAOYSA-N 236.340 2.738 30 20 BFED C=CC[C@H](C)NC(=O)Cc1c(F)cccc1F 87369055 ANAUYTHNKZNXRN-VIFPVBQESA-N 239.265 2.588 30 20 BFED C[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@@H]1C 91440110 NAFWFZWRMUQWHR-PHIMTYICSA-N 232.302 2.785 30 20 BFED C[C@H](CC(=O)Nc1[nH]ncc1C#N)CC(C)(C)C 93334842 FFXOZRXSWLUDFB-SECBINFHSA-N 248.330 2.682 30 20 BFED Cc1ccccc1CCNc1cc(C#N)ccn1 94184253 ZAQQVIRFPFSPAE-UHFFFAOYSA-N 237.306 2.916 30 20 BFED Cc1cc(C)cc(C[S@@](=O)CCCC#N)c1 94721158 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30 20 BFED C=CCNC(=O)c1sc(C)nc1CC(C)C 133067135 YTXODDKFDRPUFB-UHFFFAOYSA-N 238.356 2.566 30 20 BFED CC[C@@H](O)CN(CCCC#N)Cc1ccccc1 134503573 RWDBNTVTHXKZKI-OAHLLOKOSA-N 246.354 2.563 30 20 BFED C=C[C@](C)(CC)C(=O)N(C)Cc1cccnc1 134908323 OLKMKFHFWLFEPH-CQSZACIVSA-N 232.327 2.642 30 20 BFED Cc1ccnc(N(C)Cc2cccs2)c1C#N 135063019 GKGHAWWIDFRITO-UHFFFAOYSA-N 243.335 2.960 30 20 BFED CCCC/C(N)=N/OCCCC(C)(C)C#N 135491895 PTXCQELGWWXXRL-UHFFFAOYSA-N 225.336 2.795 30 20 BFED CN(CCCCC#N)Cc1cccc(N(C)C)c1 136119153 HMSOCYQXSCDLBK-UHFFFAOYSA-N 245.370 2.878 30 20 BFED CC[C@H](C)CN(CC)C(=O)[C@@](C)(C#N)CC 136273892 GTTAPPHLOCJLTF-WCQYABFASA-N 224.348 2.821 30 20 BFED CN(Cc1cccs1)c1ccc(C#N)nc1 149325405 AAUXTIODIGFMGZ-UHFFFAOYSA-N 229.308 2.651 30 20 BFED C#CCSCCNC/C=C/c1ccccc1 152930686 DJEBHCIZTGMSNS-RMKNXTFCSA-N 231.364 2.656 30 20 BFED CC[C@@H](C)N(C)Cc1ccc(C#N)s1 154569309 DUNSUESSEGKCQI-SECBINFHSA-N 208.330 2.850 30 20 BFED C=CCCOCCNC(=O)CCC1CCCC1 155034380 LJMZZIIYBQJDEK-UHFFFAOYSA-N 239.359 2.666 30 20 BFED CC#CCCSc1nnc(C2CC2)n1C1CC1 155142636 YCIVLDGUPBTSPQ-UHFFFAOYSA-N 247.367 2.996 30 20 BFED C=CCN(C)C(=O)Nc1ccnn1[C@@H](C)C1CC1 157948218 RTMCTYFHVQQPTB-JTQLQIEISA-N 248.330 2.504 30 20 BFED CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccccc1C#N 158841973 DQTRDUIRDBKUAL-RISCZKNCSA-N 228.295 2.933 30 20 BFED CCCC1(C/N=C(\N)N2CCC[C@H](C)C2)CC1 160021614 GFSULPRIVDFDNG-LBPRGKRZSA-N 237.391 2.613 30 20 BFED C=CCN(C)c1ccc([N+](=O)[O-])c(C)c1 160557171 LUDXHQRXBQUIQE-UHFFFAOYSA-N 206.245 2.525 30 20 BFED C#CCCCOc1ccc(CCOC)cc1 161062266 PXFQIGBACWCKEB-UHFFFAOYSA-N 218.296 2.668 30 20 BFED C=CCN(C)C(=O)c1ccc(Cl)cc1F 161904869 CBXDDVRCEKTUCB-UHFFFAOYSA-N 227.666 2.737 30 20 BFED CCc1ccccc1C(=O)N[C@H](C#N)C(C)C 161908277 RFBDHEVNOSSGHI-CYBMUJFWSA-N 230.311 2.527 30 20 BFED C=CCCNC(=O)[C@@H]1CSc2ccccc21 162192929 DTMPCHAQGDXWBV-LLVKDONJSA-N 233.336 2.568 30 20 BFED C#C[C@H](C)NCc1ccc(Cl)cc1F 162986109 ZTZZUZITBZFABH-QMMMGPOBSA-N 211.667 2.590 30 20 BFED CC#CCSCc1noc2c1CCCC2 166692053 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BFED C=C[C@](C)(CCOC)C(=O)N(C)c1ccccc1 188006907 NNDBCLCJFDTRPN-OAHLLOKOSA-N 247.338 2.878 30 20 BFED C=CCNc1ccc(-n2cccn2)cc1C 190852791 WCWYGYNJNGQHNK-UHFFFAOYSA-N 213.284 2.779 30 20 BFED C=CCN(CCOC)[C@@H](C)c1cccc(C#N)c1 191103301 HJXMOJUANWNXQK-ZDUSSCGKSA-N 244.338 2.754 30 20 BFED CSC1(CNCc2cc(C#N)cs2)CC1 193657617 RWGDHXJIZMUKOZ-UHFFFAOYSA-N 238.381 2.605 30 20 BFED N#CCCCN1CCC(OC2CCCC2)CC1 195320862 NBFWTVRVRUVCFZ-UHFFFAOYSA-N 236.359 2.714 30 20 BFED C#CCSCCN[C@@H]1CCC[C@H](C)[C@@H]1C 227710703 ARLOCPORAKGGGQ-RWMBFGLXSA-N 225.401 2.767 30 20 BFED CO[C@H]1C[C@@H](NCC(C)(C)CCC#N)C1(C)C 227825894 IEYHETFXEGPJMG-NEPJUHHUSA-N 238.375 2.719 30 20 BFED Cc1nnc(NC[C@@H]2CC[C@H](C)C2)c(C#N)c1C 230425714 DVUDITBNSXRHSX-JOYOIKCWSA-N 244.342 2.813 30 20 BFED Cc1nc(CNc2snc(C)c2C#N)oc1C 231682622 PLNKHFONKTWSMV-UHFFFAOYSA-N 248.311 2.540 30 20 BFED N#Cc1sc(NCC2CCC2)nc1Cl 236075674 WCQURCWWBHSNHG-UHFFFAOYSA-N 227.720 2.880 30 20 BFED C[Si](C)(C)C#Cc1cc(Cl)cnc1O 238853060 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C[C@H](C#N)CN(C)Cc1ccc([C@@H]2C[C@H]2C)o1 274304020 RGUXDKCWQJMPLX-NQBHXWOUSA-N 232.327 2.994 30 20 BFED C#C[C@H](C)NC(=O)Nc1ccc(Cl)cc1C 276592372 WSCMOLXTLFEIMN-VIFPVBQESA-N 236.702 2.792 30 20 BFED C=CC[C@H](CC)NC(=O)c1sccc1OC 281006810 DULZOSBTFSLNMO-VIFPVBQESA-N 239.340 2.841 30 20 BFED C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(O)c1 282255069 JQVJPVQSSRUJML-MDZLAQPJSA-N 230.311 2.735 30 20 BFED C=CCCC(=O)N1C[C@H](OC)Cc2ccccc21 283440232 XNXUWRSVHDZBID-CYBMUJFWSA-N 245.322 2.557 30 20 BFED CC[C@@](C)(C#N)C(=O)Oc1ccc(F)c(C)c1 285820006 XDOYQERYDSXOSJ-ZDUSSCGKSA-N 235.258 2.979 30 20 BFED Cc1nsc(N[C@@H]2CC=CCC2)c1C#N 287449612 VPGAFIUGWKIYQG-SECBINFHSA-N 219.313 2.844 30 20 BFED N#Cc1cc(NC[C@@H]2CCC(F)(F)C2)ccn1 287628258 HBGSKQWLBFUFFS-SECBINFHSA-N 237.253 2.801 30 20 BFED C=C[C@@](C)(CC)c1nc(-c2coc(C)n2)no1 289343502 GNGBHPXUQKCYAK-LBPRGKRZSA-N 233.271 2.887 30 20 BFED C=CCN(CCC#N)[C@H](C)c1nc(C(C)C)no1 292077030 DEHOOPNIWJYQEO-LLVKDONJSA-N 248.330 2.656 30 20 BFED 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C[C@H](C#N)CN(C)C(=O)CCCC1CCCC1 361365956 QYSHXOPFPOXJGG-GFCCVEGCSA-N 236.359 2.965 30 20 BFED C=CC[C@@H](C)NC(=O)NC1C(C)(C)C1(C)C 362144792 RTIDQSBUABNUMJ-SECBINFHSA-N 224.348 2.685 30 20 BFED CCN(CCC#N)CCOc1ccccc1C 362169736 KKIOVDPFCKYEQJ-UHFFFAOYSA-N 232.327 2.609 30 20 BFED N#Cc1cccc(N2CC[C@@H](c3ccco3)C2)n1 364902319 SOWUMFIHXNXZPY-LLVKDONJSA-N 239.278 2.540 30 20 BFED Cc1ccnc(N2[C@H]3C=CC[C@H]2CC3)c1C#N 375837592 CPVOCWLSMAEMRQ-RYUDHWBXSA-N 225.295 2.559 30 20 BFED CCC1(CC)CCN(CCO[C@H](C)C#N)CC1 383100563 ZYTNKMHVZJNQJJ-CYBMUJFWSA-N 238.375 2.817 30 20 BFED C=C(C)CCNC[C@@H](O)c1c(F)cccc1F 387399417 LCLJWUHVPTWTHV-GFCCVEGCSA-N 241.281 2.554 30 20 BFED C=CCCC[C@H](C)NC[C@@](C)(O)C(F)(F)F 398235824 WIQAPZHOIHDFJC-VHSXEESVSA-N 239.281 2.634 30 20 BFED Cc1ccccc1Sc1cncc(C#N)n1 401230136 MQBLTAVRZDFOFY-UHFFFAOYSA-N 227.292 2.808 30 20 BFED C#C[C@@H](NC(=O)[C@@H](CC)CC(F)(F)F)C(C)C 402740960 RHVMGHRGTDJORU-VHSXEESVSA-N 249.276 2.739 30 20 BFED CC[C@@H](C)C(=O)Nc1ccc(C#N)cc1C(C)=O 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229.323 2.657 30 20 BFED CC(C)Oc1cccc(NC(=O)[C@H](C)C#N)c1 452685590 RLRAHWHLNXWIPL-SNVBAGLBSA-N 232.283 2.572 30 20 BFED C=C(C)CCN[C@@H]1CCC[C@H]1CCOC 453316593 KKTOHTDHNAHXOD-QWHCGFSZSA-N 211.349 2.747 30 20 BFED C=CC(C)(C)CNC(=O)c1ccccc1C(C)=O 456112847 DZBMKMJJSXOEMM-UHFFFAOYSA-N 245.322 2.831 30 20 BFED C=C[C@@](C)(CC)C(=O)NCc1cnccc1C 456184233 IQPKXKSQPNBQGW-AWEZNQCLSA-N 232.327 2.609 30 20 BFED C=CCCCC(=O)NC[C@@H]1CCOC(C)(C)C1 457221031 WDIGZZOOUDNGAS-GFCCVEGCSA-N 239.359 2.664 30 20 BFED CC(C)CCCCC(=O)N=c1cc[nH]cc1C#N 457590688 HNCJEGCYSHRWGI-UHFFFAOYSA-N 245.326 2.530 30 20 BFED CN(CC(C)(C)C#N)C(=O)/C=C/c1ccsc1 492902123 RPUFOXLUBZXXQZ-SNAWJCMRSA-N 248.351 2.769 30 20 BFED CN(CC(C)(C)C#N)C(=O)/C=C\C1CCCC1 493135531 BYXWUDWVEHLPON-HJWRWDBZSA-N 234.343 2.741 30 20 BFED N#Cc1cnccc1/C=C\c1cccc(O)c1 527303953 LCTOGHJJPVRUEH-PLNGDYQASA-N 222.247 2.829 30 20 BFED CCC[C@@H](C#N)NC(=O)c1c(C)noc1C(C)C 535851287 PXUBWDLNGSEKDT-JTQLQIEISA-N 249.314 2.529 30 20 BFED C=C(C)CNC(=O)[C@H](CC)Cc1ccccc1 548308059 RLNVTKHKZBCTFM-CQSZACIVSA-N 231.339 2.948 30 20 BFED C=CCOCCCN1CCc2ccccc2CC1 548423841 INCFWVKJFDJINQ-UHFFFAOYSA-N 245.366 2.680 30 20 BFED C=CCCCCN(CC(=O)OCC)C1CCC1 562534445 ZXLCNTGQIISRKC-UHFFFAOYSA-N 239.359 2.760 30 20 BFED C=CCCCCN1CCCC[C@H]1[C@@H](O)CC 562697548 IMUFHHZXKIUVLT-KBPBESRZSA-N 225.376 2.968 30 20 BFED N#Cc1csc(CNC2(CF)CCC2)c1 573205949 KMPXTKXQTOXDBP-UHFFFAOYSA-N 224.304 2.602 30 20 BFED C=CCCCCN1CC[C@H](C)C[C@@H]1C(=O)O 582365993 UYEOOUUKAPZHIE-NWDGAFQWSA-N 225.332 2.528 30 20 BFED CC(C)(CC#N)CS[C@H]1CCCOC1 582677604 RBFSTDNJZUIPTJ-JTQLQIEISA-N 213.346 2.838 30 20 BFED Cc1cccc2c1CCN2C(=O)CCCC#N 589696675 MQSATOAOUQNKSR-UHFFFAOYSA-N 228.295 2.578 30 20 BFED C[C@@H](C(=O)N(C)CC(C)(C)C#N)C1CCCC1 590495147 DJPYWSSSWWXHNT-LLVKDONJSA-N 236.359 2.821 30 20 BFED C[C@@H](CCC#N)N1CCC(C2CC2)CC1 591037643 OUFXTGPWZNCHJO-NSHDSACASA-N 206.333 2.801 30 20 BFED CC1(NC(=O)c2ccc(F)c(C#N)c2)CC=CC1 594072279 HQILHCMXYAWOEO-UHFFFAOYSA-N 244.269 2.536 30 20 BFED CCOC(=O)[C@H](CC)SCC1(CC#N)CC1 594896741 XYRSNTCZTMXOIL-JTQLQIEISA-N 241.356 2.755 30 20 BFED C=CCCSCCNCC(C)(C)COC 594960168 LUVZMRLEZVGDQS-UHFFFAOYSA-N 231.405 2.558 30 20 BFED N#C[C@H](c1ccccc1)N1CCOC2(CCC2)C1 595403131 CGHPRVZIPHAHTJ-CQSZACIVSA-N 242.322 2.506 30 20 BFED C=CC[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 595662011 YIUQNYFWFRLNDF-RDBSUJKOSA-N 218.344 2.967 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)C1CCC2(CC1)CC2 596822429 GPEJZZCJNMUNEQ-LBPRGKRZSA-N 248.370 2.965 30 20 BFED Cc1cc(CN2CCC[C@@](C)(C#N)C2)ccn1 598604523 UKGDOASVVNDSHB-AWEZNQCLSA-N 229.327 2.516 30 20 BFED CCCC[C@H](C(=O)N(CC#N)C1CC1)C(C)C 598807712 IRHUXNJYZGOHMC-ZDUSSCGKSA-N 236.359 2.963 30 20 BFED CC1=NN([C@H]2CCCC2(C)C)C(=O)[C@@H]1CCC#N 601944778 HKXXOOOTUQECSX-NEPJUHHUSA-N 247.342 2.703 30 20 BFED CC(C)[C@H]1C[C@@H](NC[C@H](C)CCC#N)CCO1 602582047 MTUZKGVHOXHCHP-HZSPNIEDSA-N 238.375 2.719 30 20 BFED CC(C)CC[C@@H](CO)NCC(C)(C)CCC#N 603428142 KOCMTXKQOHQLHC-ZDUSSCGKSA-N 240.391 2.703 30 20 BFED CC[C@H](NCc1cocn1)c1ccc(C#N)cc1 618573041 HZLPMEZNAOQBRD-AWEZNQCLSA-N 241.294 2.787 30 20 BFED C=CCCC(C)(C)NC(=O)c1cccc(CO)c1 620856886 DQHKQFTVVGLZRQ-UHFFFAOYSA-N 247.338 2.654 30 20 BFED C=CCC1(NCc2ncnn2CC)CCCCC1 625934349 KYKINZBKXZJXAA-UHFFFAOYSA-N 248.374 2.667 30 20 BFED C=CCCNc1ccc(COCCOC)cc1 629218678 RZUQWUSWAVOPNA-UHFFFAOYSA-N 235.327 2.838 30 20 BFED C=C1CCN(C(=O)c2ccc(NC)c(F)c2)CC1 635504063 RNFSYJIWUFBZTF-UHFFFAOYSA-N 248.301 2.660 30 20 BFED C=C[C@@H]1CCCCN1C(=O)NCc1ccc(C)o1 637685958 CWZVUEDEUOTOEU-GFCCVEGCSA-N 248.326 2.838 30 20 BFED C=CCC(C)(C)C(=O)N1CC(C(C)C)C1 645894578 UUWBVBPNOKJQOJ-UHFFFAOYSA-N 209.333 2.703 30 20 BFED C=C[C@H](C)NC(=O)[C@]1(C)CCc2ccccc21 648320883 SVAYBKFGLHGVCI-XHDPSFHLSA-N 229.323 2.581 30 20 BFED C=CCCn1cc(CN[C@@H]2CCCC[C@H]2C)nn1 653614965 UFEHTKGNBJJZQI-TZMCWYRMSA-N 248.374 2.523 30 20 BFED C=CC[C@H](CC)NC(=O)NC1(C)CC=CC1 654554653 NNDMLQFTPNITKX-NSHDSACASA-N 222.332 2.749 30 20 BFED C=C(C)CNCc1ccc(O[C@H](C)COC)cc1 657463026 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C=C(Cl)COC(=O)c1cc(CC)ccc1O 748919658 IJSUNZNKMRVSFN-UHFFFAOYSA-N 240.686 2.864 30 20 BFED C[C@H]1CC/C(=C/C(=O)N(C)C2(C#N)CCC2)C1 753594816 UVQDIFNKOYVOAQ-AWPPVZKDSA-N 232.327 2.637 30 20 BFED C[C@H]1C[C@H]1C=NNc1nc2ccccc2n1C 758373549 YOYOMOVYKKLMIF-UWVGGRQHSA-N 228.299 2.627 30 20 BFED Fc1cnc(NN=C2CCCCCC2)nc1 760264616 DSYODYDVTIKUHA-UHFFFAOYSA-N 222.267 2.738 30 20 BFED CC#CCCOC(=O)COc1ccc(CC)cc1 760282700 KIYYKBPJIKOEFV-UHFFFAOYSA-N 246.306 2.584 30 20 BFED C#CCCc1noc(C2(CC)CCCC2)n1 762014948 WORWJRJHQNWXLB-UHFFFAOYSA-N 218.300 2.857 30 20 BFED C[C@@H](C#N)CNN=C1CCCc2cc(F)ccc21 771111997 KHZDZJJBQUTEEE-JTQLQIEISA-N 245.301 2.615 30 20 BFED N#CCCCOC(=O)CCCC(F)(F)F 771132366 QBAHKWVDNQPGTD-UHFFFAOYSA-N 223.194 2.566 30 20 BFED CC1(C)CCC[C@H]1C(=O)OCC1(C#N)CC1 772613691 CKHMWSSRVUYJBS-JTQLQIEISA-N 221.300 2.660 30 20 BFED C=CCNC(=S)N(C)[C@@H](C)C1CCCCC1 773213324 OFBVPCBSUSBHLW-NSHDSACASA-N 240.416 2.948 30 20 BFED CC(C)n1cc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)cn1 774596353 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240.253 2.503 30 20 BFED C=C[C@@H](COC)NC[C@@H](C)c1ccc(F)cc1 1320699779 UQZQPNXHCHCABO-RISCZKNCSA-N 237.318 2.720 30 20 BFED C#CCN(CC1CC1)CC1(OC)CCCCC1 1320835718 BLFGAUXNYDPBTN-UHFFFAOYSA-N 235.371 2.681 30 20 BFED CC(C)c1nnc(-c2cc(C#N)cs2)o1 1322341964 SPRGDIQNTWTSQF-UHFFFAOYSA-N 219.269 2.793 30 20 BFED C#CC1CCN(C(=O)N[C@@H](C)CCCC=C)CC1 1326750470 DQSZKDFTLRXTRU-ZDUSSCGKSA-N 248.370 2.786 30 20 BFED C#CCN(Cc1cccc(C(C)=O)c1)CC1CC1 1330591872 JCLXFWHBTJPKPW-UHFFFAOYSA-N 241.334 2.734 30 20 BFED C=CC(C)(C)CC(=O)Nc1c(C)cnn1CC 1331451493 KVBHNMNQESNVNW-UHFFFAOYSA-N 235.331 2.752 30 20 BFED N#CCC1(OC(=O)/C=C/c2nccs2)CCC1 1343429122 GCXXXGCFVVHULM-NSCUHMNNSA-N 248.307 2.536 30 20 BFED C=C(CC)C(=O)Nc1nc(CC)cs1 1347373914 OBLFPQKIMGSVEW-UHFFFAOYSA-N 210.302 2.610 30 20 BFED C=C(CC)C(=O)NC[C@H](OC)C1CCCCC1 1347841552 PETFONGVTGUETF-ZDUSSCGKSA-N 239.359 2.664 30 20 BFED C=CCC[C@@H]1CCCN1c1cc(CO)ccn1 1348388446 TZDPTXJCKXCBLX-CYBMUJFWSA-N 232.327 2.509 30 20 BFED C=CCOC(=O)Cc1cccc(OC)c1Cl 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CC[C@@H](C)[C@H](C)NC(=O)Cc1ccc(C#N)cc1 70158924 CSZLEIMTOLSHIK-NEPJUHHUSA-N 244.338 2.652 30 20 BFED C=CCCCOc1ccc2c(c1)OCC2=O 70592606 VECZDBAZTLFLPS-UHFFFAOYSA-N 218.252 2.607 30 20 BFED CCc1ccc(C(=O)N2CCC[C@H](C#N)C2)cc1 79825356 WZYSOGPCVPMVTL-CYBMUJFWSA-N 242.322 2.625 30 20 BFED CN(Cc1cccs1)c1cccc(C#N)n1 80116953 BFEWAOQCQOCLBL-UHFFFAOYSA-N 229.308 2.651 30 20 BFED CC[C@H](C#N)OC(=O)c1cscc1C 84708909 MLWYEFBUMNUTSV-MRVPVSSYSA-N 209.270 2.516 30 20 BFED C[C@H](CC#N)N(C)Cc1ccn(C2CCCC2)n1 85175148 FHRVBCONUILPPY-GFCCVEGCSA-N 246.358 2.732 30 20 BFED C=CCN(CCc1ccccc1)Cc1c[nH]cn1 92505664 QQBPTYXPWCVHRR-UHFFFAOYSA-N 241.338 2.640 30 20 BFED COc1ccc(OC(C)C)c(N[C@@H](C)C#N)c1 106899393 DENCVRGCKYJJDO-JTQLQIEISA-N 234.299 2.806 30 20 BFED CCN(CCC#N)C(=O)[C@H](C)c1ccccc1F 109023123 YHOAIUQCHRFSDF-LLVKDONJSA-N 248.301 2.691 30 20 BFED CCCCCCCCC(=O)NCC(C)(C)CO 119420686 OBVVRJBTFDPAFY-UHFFFAOYSA-N 243.391 2.872 30 20 BFED C#CCCCCC(=O)Nc1ccccc1N(C)C 119580230 VVDLXZIXWSOGBI-UHFFFAOYSA-N 244.338 2.885 30 20 BFED C=CCC[C@H](O)CN1CCc2cccc(C)c21 123061618 OPNSWLCFPQTAPW-AWEZNQCLSA-N 231.339 2.685 30 20 BFED CCOc1ccc(CN(CC)CCC#N)cc1 123266014 FIWJPQUIJFJDFK-UHFFFAOYSA-N 232.327 2.821 30 20 BFED C=C(Cl)CNC(=O)c1ccc(CC)s1 124606797 VBLAVLUSDFRYCH-UHFFFAOYSA-N 229.732 2.793 30 20 BFED C=C(C)CN(CC)C(=O)c1c(C)noc1C1CC1 129113276 IRUACVMECCSOQQ-UHFFFAOYSA-N 248.326 2.899 30 20 BFED C=C(Br)COc1ccc(F)nc1 129959700 YLVNSGNQJWARCI-UHFFFAOYSA-N 232.052 2.508 30 20 BFED C=C[C@H](C)NCc1ccc(OCC)cc1 130475076 HPNMQKSUGWRUHO-NSHDSACASA-N 205.301 2.749 30 20 BFED C=C[C@](C)(CC)C(=O)NCCCOCC(C)C 134879479 SLSNBIFYSPAAEL-CQSZACIVSA-N 241.375 2.768 30 20 BFED C#CCCCCNCc1ccccc1OC 150731478 KBGPJDVPJVDFOS-UHFFFAOYSA-N 217.312 2.588 30 20 BFED C#CCCCCNC(=O)c1sccc1C 156484841 HBPMAKVSHAFWQC-UHFFFAOYSA-N 221.325 2.590 30 20 BFED C=CCN(C)C(=O)Nc1cccnc1OC(C)C 156577806 ICWRXHPKZRHZRX-UHFFFAOYSA-N 249.314 2.519 30 20 BFED CC(C)OCCSCCCCC#N 161734192 FIVHMLRFWYXEHC-UHFFFAOYSA-N 201.335 2.838 30 20 BFED 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30 20 BFED C=C[C@@](C)(CC)C(=O)N(C)Cc1cccc(C)n1 442657140 YBBHQHBNIRFPNT-HNNXBMFYSA-N 246.354 2.951 30 20 BFED C=CCC1(CNC2CCN(C)CC2)CCCC1 449605700 NXVGVFALMNCHSJ-UHFFFAOYSA-N 236.403 2.807 30 20 BFED C=CCC[C@@H](CO)NCc1cccc2ccoc12 449702342 YXTQVWOOUFYFIN-AWEZNQCLSA-N 245.322 2.850 30 20 BFED C=CCN(CC=C)C[C@H](Cc1ccccc1)OC 450254965 XAVPUGHWFDCWDP-INIZCTEOSA-N 245.366 2.918 30 20 BFED C=CC[C@H](CO)CN[C@@H](C1CCCC1)C1CC1 453170535 VNBANBNTFBHUBF-WFASDCNBSA-N 237.387 2.729 30 20 BFED C=C(CC)CNC(=O)[C@]1(C#N)CC12CCCC2 456857047 SEQDSARVRYTHTD-CQSZACIVSA-N 232.327 2.543 30 20 BFED CC#CCCNC(=O)N[C@@H]1CCCC[C@@H]1CC 482838267 FLPPDONISLISHC-QWHCGFSZSA-N 236.359 2.668 30 20 BFED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)CCc1ccco1 521970227 VGVMYUUEKKDLCJ-CFVMTHIKSA-N 249.354 2.924 30 20 BFED N#Cc1cnc(NCC2CC=CC2)c(Cl)c1 528112870 GRICCPKWROGELH-UHFFFAOYSA-N 233.702 2.985 30 20 BFED C=CCCc1noc([C@@H]2[C@H](C)O[C@H](C)[C@H]2C)n1 528205290 FIGCDSIUHYGVRW-SVDPJWKOSA-N 236.315 2.715 30 20 BFED 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30 20 BFED CC1(CC(=O)OCC#Cc2ccc(F)cc2)CC1 758832570 QHAZBUJIQVNWMA-UHFFFAOYSA-N 246.281 2.911 30 20 BFED N#Cc1ccc(F)cc1COC(=O)CC1CC1 759353602 GLIUECYFDRQNIJ-UHFFFAOYSA-N 233.242 2.541 30 20 BFED C#CCCCCCc1nc(C(C)C)no1 761341062 DKULOHJIIHREQK-UHFFFAOYSA-N 206.289 2.929 30 20 BFED C=CCCC(=O)COC(=O)[C@@H]1CCC[C@H](C)C1 761402277 JOBHWNZCPWJPCR-NWDGAFQWSA-N 238.327 2.891 30 20 BFED C#C[C@H](C)N(C)C(=O)[C@H]1CC[C@H](C(C)C)CC1 767254626 RCQGGQJXZZWFSP-IHRRRGAJSA-N 235.371 2.929 30 20 BFED C=CC[C@H](C)NC(=O)C=C1CCSCC1 771668399 DCNRBDBJERXEOS-JTQLQIEISA-N 225.357 2.521 30 20 BFED C=C(CC)COC(=O)c1cc(O)cs1 773518418 LEUZDSFKOCRRRQ-UHFFFAOYSA-N 212.270 2.577 30 20 BFED C#C[C@H](N[C@@H]1CC[C@H](C)[C@@H](C)C1)[C@@H]1CCCO1 775575361 WEVBFDDWCWEAFM-RMEBNNNOSA-N 235.371 2.582 30 20 BFED C#CCCN1CCc2c(C)cc(C)cc2C1 776855706 NABPFEALOXCIDG-UHFFFAOYSA-N 213.324 2.685 30 20 BFED C=CCN(C)C(=S)N[C@H](C)c1ccccc1 777471408 NKZHGMRISYBASP-LLVKDONJSA-N 234.368 2.740 30 20 BFED CCCCCCCOC(=O)C1(COC)CC1 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223.345 2.645 30 20 BFED CC[C@@H](C)CON=C1CC(OC(C)C)C1 814937777 CMKVMEPPQLPCGR-RWANSRKNSA-N 213.321 2.993 30 20 BFED Cc1cc(C#N)cnc1C(=O)O[C@@H](C)CC(C)C 815921958 YOOMGSCXPMCRHB-NSHDSACASA-N 246.310 2.853 30 20 BFED C=CCCCCCCCN[C@@H]1CCC[C@H]1N 817933006 ZHOWFEVYBBHUQY-ZIAGYGMSSA-N 224.392 2.982 30 20 BFED COc1cc(C(=O)/C=C/c2ccccc2F)on1 821021556 ICGPSQBXRBPOOP-VOTSOKGWSA-N 247.225 2.718 30 20 BFED C#C[C@H](CC)NC(=O)NC(C)(C)CC(C)(C)C 821567735 VVIGGNYNRDAQBN-LLVKDONJSA-N 238.375 2.912 30 20 BFED C[C@]1(COC(=O)CCCC#N)C[C@]1(F)Cl 821913766 DTGBHYQCWJJMSH-NXEZZACHSA-N 233.670 2.538 30 20 BFED C=CCCCC[C@@H](C)N[C@@H](CCO)C1CC1 823931956 VGJGVXKIJGPDTN-OCCSQVGLSA-N 225.376 2.872 30 20 BFED C=C[C@@H](C)ONC(=O)[C@@H](C)c1ccccc1C 824033546 OLWKELCKXLCBND-NEPJUHHUSA-N 233.311 2.721 30 20 BFED C=CCN(C(=O)Cc1occc1C)C(C)C 826071601 NZCNACIQZRSNCF-UHFFFAOYSA-N 221.300 2.554 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]1C(F)(F)F 828332318 RLVVBKIZBRCMPO-DJLDLDEBSA-N 235.249 2.656 30 20 BFED 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CCC[C@@H](CNc1ccc(C)nc1C#N)OCC 882648267 DWPOWXMBMBKEOV-LBPRGKRZSA-N 247.342 2.879 30 20 BFED C[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2F)C1 888356834 WOAAMRXEVNIGED-VIFPVBQESA-N 247.273 2.571 30 20 BFED CC[C@@H]1OCC[C@H]1Nc1ccc(C#N)cc1C 894168934 AEKAUQUUPHEYTL-KGLIPLIRSA-N 230.311 2.846 30 20 BFED C=C[C@](C)(O)Cc1nc(C2CCCCC2)no1 895972562 ZFSABKOEPFWLEN-ZDUSSCGKSA-N 236.315 2.597 30 20 BFED CCC[C@@H](O)CCNc1cccc(F)c1C#N 896192441 WOHUYFSJUJDUHZ-SNVBAGLBSA-N 236.290 2.660 30 20 BFED C[C@H](CCC#N)CN[C@H](C)Cc1cccnc1 897967403 PEICAVKSHWWRSS-CHWSQXEVSA-N 231.343 2.542 30 20 BFED C=CCOCCON=C(C)c1ccc(F)cc1 902857263 YSGFXSBMZQZZBB-UHFFFAOYSA-N 237.274 2.769 30 20 BFED C[C@@H]1CCCC[C@@H]1NC(=O)c1ccsc1C#N 905091152 DQCPRLZKZPXURR-KOLCDFICSA-N 248.351 2.928 30 20 BFED CC(C)CCC/N=C/c1cccc(O)c1O 914558071 REQJQMQMVQUGQY-NTEUORMPSA-N 221.300 2.953 30 20 BFED CC(=NNc1ccc(C#N)cc1)c1ccco1 915962801 QPAMOWPDJHNRLL-UHFFFAOYSA-N 225.251 2.987 30 20 BFED C=Cc1ccc(C(=O)N2CCC[C@@H](C#N)C2)cc1 928222535 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20 BFED C=C(CC(C)C)C(=O)NCc1csc(C)n1 1346199829 FRTZFHMOJVECOX-UHFFFAOYSA-N 238.356 2.670 30 20 BFED C=CCCC(=O)O[C@@H]1CCCC[C@H]1OCC 1347299750 LIFWRGDBMYOOPW-VXGBXAGGSA-N 226.316 2.844 30 20 BFED C=C(C)CN(CC)C(=O)/C=C\c1nccs1 1350981027 RPWASOYZBSCTQZ-WAYWQWQTSA-N 236.340 2.581 30 20 BFED CC[C@H](C#N)N(CC)C(=O)CC1CCCC1 1518561484 DNSQHXAOUFFSNQ-GFCCVEGCSA-N 222.332 2.717 30 20 BFED C=CCC(C)(C)C(=O)OCc1cnn(CC)c1 1519252381 OCJKLBXABCOJNC-UHFFFAOYSA-N 236.315 2.549 30 20 BFED N#CC[C@H](C(=O)NC/C=C\Cl)c1ccccc1 1618496779 RZPYXLZSONFVLK-LDJOOVGUSA-N 248.713 2.553 30 20 BFED Cc1ccc(CNc2cc(C)c(C#N)cn2)nc1 1651981285 HVTPFXDVWNOHAD-UHFFFAOYSA-N 238.294 2.577 30 20 BFED CC(C)=CCOC(=O)c1ccc(C#N)cc1 32177916 DLINGEMBUUQSLN-UHFFFAOYSA-N 215.252 2.681 30 20 BFED C[C@@H](Cc1ccco1)NCc1ccc(C#N)cc1 36993555 BTSPXSWEFICLOO-LBPRGKRZSA-N 240.306 2.872 30 20 BFED N#Cc1ccc(OC[C@H](O)c2ccccc2)cc1 37486325 TUYHSTHQARUYJI-HNNXBMFYSA-N 239.274 2.671 30 20 BFED Cc1c(OCCCC#N)cccc1[N+](=O)[O-] 37991127 LHPAPGCRDCDPAE-UHFFFAOYSA-N 220.228 2.586 30 20 BFED CC[C@](C)(C#N)NC(=O)c1ccc(C)c(C)c1 40357579 YNZHUPGJVCGYFE-CQSZACIVSA-N 230.311 2.726 30 20 BFED N#Cc1ccccc1/C=C/C(=O)Nc1ccccn1 41818024 MIPZQYITDDZABV-CMDGGOBGSA-N 249.273 2.605 30 20 BFED Cc1ccccc1[C@@H]1CCCN1CC#N 52212794 LRWLENDZODVQFH-ZDUSSCGKSA-N 200.285 2.656 30 20 BFED N#CCCCn1cc(-c2ccccc2)cn1 54961364 GTKMGRIOIOZGHL-UHFFFAOYSA-N 211.268 2.854 30 20 BFED N#CCN(C(=O)c1ccccc1F)C1CCCC1 57535514 AOBXDDSDHIFFCW-UHFFFAOYSA-N 246.285 2.734 30 20 BFED C#CCOC(=O)COc1ccccc1C(C)(C)C 60903505 LWEAXIIQDHCJAE-UHFFFAOYSA-N 246.306 2.539 30 20 BFED C[C@H]1CCC[C@@H](N(C)c2ccnc(C#N)c2)C1 61815056 ABNBLVIIDFBQSN-WCQYABFASA-N 229.327 2.968 30 20 BFED Cc1ccc(C(=O)N(C)c2ccc(C#N)cc2)o1 61954752 ODLBAVDBMLBRND-UHFFFAOYSA-N 240.262 2.736 30 20 BFED Cc1ccc(CCC(=O)N[C@@H](C)CC#N)c(C)c1 64345970 FCCZGVONRYJQGN-ZDUSSCGKSA-N 244.338 2.654 30 20 BFED C#CC[C@@H](O)c1ccc(C(F)(F)F)cc1 75421058 APVAIYOABWORSB-SNVBAGLBSA-N 214.186 2.762 30 20 BFED C[C@H](Nc1cccc(C#N)n1)c1cccnc1 81595448 WICYCHZLCPHNAU-JTQLQIEISA-N 224.267 2.521 30 20 BFED Cc1nsc(N[C@H]2CC2(C)C)c1C#N 86254826 NIIUWKHVOHUBMZ-QMMMGPOBSA-N 207.302 2.534 30 20 BFED Cc1ccsc1CNc1cc(C#N)ccn1 87309540 FXYTVGKYLGWGGU-UHFFFAOYSA-N 229.308 2.935 30 20 BFED Cc1ncc([C@@H](C)NCCCCC#N)s1 90408042 AYITYQCNBJQORS-SECBINFHSA-N 223.345 2.796 30 20 BFED CCCN(CC#N)Cc1ccc(F)cc1C 92398330 AGDMLRPSTZCRGY-UHFFFAOYSA-N 220.291 2.870 30 20 BFED CC[C@@H](C)CNc1ccc(C#N)c([N+](=O)[O-])c1 94591913 MJEIGEHNNPMNNS-SECBINFHSA-N 233.271 2.924 30 20 BFED Cc1ccc(C(=O)/C=C\c2cnn(C)c2)cc1C 98054276 WMQYKTOAXXTPFF-ALCCZGGFSA-N 240.306 2.933 30 20 BFED C[C@H](c1ccco1)N(C)CCCCC#N 102398985 QJIQYIBXOOKJOP-LLVKDONJSA-N 206.289 2.966 30 20 BFED CCCCCCCCNCc1cncn1C 112339290 UCGDBRMGXCRZIX-UHFFFAOYSA-N 223.364 2.870 30 20 BFED C=CCN(Cc1cccs1)Cc1c[nH]nc1C 119948599 GMTTUOLYYNEYSM-UHFFFAOYSA-N 247.367 2.968 30 20 BFED C=CCN(C)[C@@H](C)C(=O)Nc1c(C)cccc1C 121473186 CEYXPTBLUWQZMH-ZDUSSCGKSA-N 246.354 2.748 30 20 BFED CC(C)[C@H](C)[S@@](=O)CCC(C)(C)C#N 123490118 RGDUGMDSWMFYKB-IINYFYTJSA-N 215.362 2.719 30 20 BFED C=C[C@@H](C)NC(=O)c1ccc(C(C)C)nc1 126623750 UFKCELMPYMVBNH-SNVBAGLBSA-N 218.300 2.509 30 20 BFED C=CCC[C@@H](C)NCCCc1cn[nH]c1C 126750430 HPEXJDCCYAZGSV-LLVKDONJSA-N 221.348 2.595 30 20 BFED CCCCCCCC(=O)N1CCC(C)(O)CC1 126818979 MOTBAODBSZYZJO-UHFFFAOYSA-N 241.375 2.720 30 20 BFED C=CCSCCN[C@@H](C)c1cccnc1 129350719 XLIJIZSBQSQKIK-NSHDSACASA-N 222.357 2.651 30 20 BFED COc1ccc(C#N)cc1CN(C)[C@@H](C)C1CC1 130404920 KJUNKMOWVXWBLG-NSHDSACASA-N 244.338 2.797 30 20 BFED C=C(C)CNC1CCN(C2CCCCC2)CC1 130759909 LWYSCEOUCGWRMO-UHFFFAOYSA-N 236.403 2.949 30 20 BFED CC[C@@](C)(C#N)C(=O)N(C)Cc1cccc(F)c1 136182333 BQRSPNCCQCAYTL-AWEZNQCLSA-N 248.301 2.724 30 20 BFED CC[C@](C)(C#N)NC(=O)c1cccc(C)c1F 151799583 YCRIYAFSLYJSCM-CYBMUJFWSA-N 234.274 2.556 30 20 BFED C=CCCSCC(=O)NCc1ccccc1C 151968192 OGDLGOQSVNXVSG-UHFFFAOYSA-N 249.379 2.921 30 20 BFED CC1(C)CC[C@H](NC(=O)CC#N)c2ccccc21 153690559 NISUUNJUEGHGOS-ZDUSSCGKSA-N 242.322 2.829 30 20 BFED CC(C)(C#N)NC(=O)CCCSC(C)(C)C 153706971 MKYVDUNWKIZBIT-UHFFFAOYSA-N 242.388 2.717 30 20 BFED CC#CCCN1CCC[C@H](OCCC)CC1 155635211 YXCPQUSZEQZYKU-AWEZNQCLSA-N 223.360 2.681 30 20 BFED C=CCN(C)C(=O)c1ccc(C)cc1C 161416489 HIDCRGQMCPEIIZ-UHFFFAOYSA-N 203.285 2.561 30 20 BFED C=C(Cl)CN[C@H](C)c1ccc2c(c1)OCO2 161754165 VDFVFOTURGTVTF-SECBINFHSA-N 239.702 2.818 30 20 BFED C[C@@H]1CCCN1c1snc(Cl)c1C#N 172810937 BHNARGVZHZAZOE-ZCFIWIBFSA-N 227.720 2.657 30 20 BFED C=CCCC[C@H](C)N[C@H](C(N)=O)c1ccccc1 182344609 TYNKGYNNDVMRKL-JSGCOSHPSA-N 246.354 2.547 30 20 BFED C=CCN(CC=C)Cc1cccc2nccn12 183464066 YYIRTVVSVUXMOU-UHFFFAOYSA-N 227.311 2.508 30 20 BFED CC[C@H](CC#N)NC(=O)/C=C(\C)c1ccccc1 183957654 WSURHRACHSCDCY-GCZGRYASSA-N 242.322 2.898 30 20 BFED C=CCSCCc1ccccc1C(=O)OC 184823975 CMSWRHQMVHYMKF-UHFFFAOYSA-N 236.336 2.935 30 20 BFED C#C[C@@H](C)NC(=O)[C@@H](CC)Sc1ccccc1 186002975 YFHVBVLIHLURPP-DGCLKSJQSA-N 247.363 2.695 30 20 BFED C#CCN(C)C(=O)CCCCc1ccc(C)cc1 191028612 FBPIDRVTOMNNPN-UHFFFAOYSA-N 243.350 2.799 30 20 BFED N#C[C@@H]1CCC[C@H](Nc2ccc(CCO)cc2)C1 193101626 QRRWHIYGYPRAPA-HIFRSBDPSA-N 244.338 2.716 30 20 BFED CSC1(CN[C@H]2CCC[C@H](C#N)C2)CC1 193821071 VLDNZZOFPGDEET-QWRGUYRKSA-N 224.373 2.554 30 20 BFED C[C@@H]1CC[C@H](COc2ccc(C#N)c(F)c2)O1 232064606 JOTYNPMIEBSQLD-BXKDBHETSA-N 235.258 2.644 30 20 BFED CC[C@@H](C#N)C(=O)NCC1(CC)CCCC1 233831140 MNIKJEUJPLTWGH-NSHDSACASA-N 222.332 2.623 30 20 BFED N#Cc1ccnc(NC[C@@H]2C[C@H]3CC[C@H]2C3)c1 250262214 XZROFSRODWMVFZ-DRZSPHRISA-N 227.311 2.801 30 20 BFED Oc1ccc(C=Nc2ccccc2F)c(O)c1O 255673496 IJVFQNKCNADVAM-UHFFFAOYSA-N 247.225 2.693 30 20 BFED Cc1ccccc1CN(C)CC(C)(C)C#N 258984149 WVIDYTGHQHOSND-UHFFFAOYSA-N 216.328 2.977 30 20 BFED N#Cc1cn[nH]c1NCc1ccccc1Cl 259775592 RRPAYLIQHJYNPD-UHFFFAOYSA-N 232.674 2.547 30 20 BFED CCN(CCC#N)CCCc1cccc(OC)c1 267055014 HEVNLRKMBINOGF-UHFFFAOYSA-N 246.354 2.863 30 20 BFED C/C=C(\C)C(=O)N[C@H](C)c1ccc(C#N)cc1 267533564 UEMSCEVUGKEFKW-LLMHMKPQSA-N 228.295 2.702 30 20 BFED N#Cc1cccc(C2(NCc3ccccn3)CC2)c1 269630812 UESACTRZPYLTIV-UHFFFAOYSA-N 249.317 2.732 30 20 BFED Cc1ccncc1CN(CCC#N)CC1CC1 269648391 UUBMXQZXBWDWDM-UHFFFAOYSA-N 229.327 2.516 30 20 BFED N#CCCCNCc1ccc(Cl)c(F)c1 273008984 BRYFSGNVRYIAQE-UHFFFAOYSA-N 226.682 2.872 30 20 BFED Cc1ccc([C@H](C)C/N=C(\N)N(C)C2CC2)cc1 273374167 WIWSJLDMNKFPKY-GFCCVEGCSA-N 245.370 2.507 30 20 BFED C=CCN(C(=O)CCc1ccc(O)cc1)C1CC1 274013619 OMICODHBXKONPB-UHFFFAOYSA-N 245.322 2.502 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(F)c1 280606111 JSHOVGVMNUDBFB-HIFRSBDPSA-N 249.329 2.897 30 20 BFED C=C(C)[C@@H]1OCC[C@H]1CNc1cc(C)ccn1 280806839 SQIQLBFERNZKTO-JSGCOSHPSA-N 232.327 2.783 30 20 BFED CC1=C(C)CN(c2nnc(C)c(C)c2C#N)CC1 281027070 QDCMJVNLUMNTQL-UHFFFAOYSA-N 242.326 2.512 30 20 BFED C=CC[C@H](CC)NC(=O)c1cccnc1Cl 281181177 YSFVTWWAOPRWHK-VIFPVBQESA-N 238.718 2.820 30 20 BFED C=CCN1CCC(C)=C(Br)C1 281234224 UFSYXRACLXFVKS-UHFFFAOYSA-N 216.122 2.547 30 20 BFED C=CC[C@@H](CC)N[C@H](C)c1cn(C)nc1C 281497541 GPBGNXCUNRQJOU-ZYHUDNBSSA-N 221.348 2.734 30 20 BFED C#CCN(CC#N)C(=O)C[C@@H](C)CCCCC 281500751 JNDULEOMWHHCSR-ZDUSSCGKSA-N 234.343 2.578 30 20 BFED C#C[C@@H](NC(=O)c1cccc(C)c1F)C(C)C 282105357 OFTIRMKTEBCLDK-GFCCVEGCSA-N 233.286 2.522 30 20 BFED C=CC[C@@H](CC)Nc1ccnc2c1cnn2C 291091192 JHAFVPSBKUARHC-SNVBAGLBSA-N 230.315 2.735 30 20 BFED Cc1nc(N2CCSCC[C@H]2C)ccc1C#N 291760226 AYOHVDCXDPJVJQ-SNVBAGLBSA-N 247.367 2.594 30 20 BFED C=CCCCN1C[C@H](CO)c2ccccc21 292638806 JDYQFTDJZPJLKG-GFCCVEGCSA-N 217.312 2.549 30 20 BFED C=CCOCCN(CC)Cc1cccs1 293389436 GUPVRHFXZMZONK-UHFFFAOYSA-N 225.357 2.773 30 20 BFED CCC1(NCc2ccc(C#N)cc2F)CC1 294811675 NVODARCRWDAJPL-UHFFFAOYSA-N 218.275 2.730 30 20 BFED CCN(CC#N)[C@H](C)c1cc([N+](=O)[O-])ccc1C 298022183 DHGUWUVEZXVDCF-LLVKDONJSA-N 247.298 2.810 30 20 BFED CC(C)CN/C(N)=N/CC1CCCCCCC1 303882761 LUHVNCMYUOSULV-UHFFFAOYSA-N 239.407 2.907 30 20 BFED N/C(=N/[C@@H]1C[C@H]1C1CCCCC1)N1CCCCC1 304793230 LMIUXLWEFXGNNZ-UONOGXRCSA-N 249.402 2.756 30 20 BFED CC[C@H](CC(C)C)C(=O)N(C)C[C@@H](C)C#N 308085528 GONIBAJEOJHLPK-NWDGAFQWSA-N 224.348 2.677 30 20 BFED N#Cc1ncccc1NCCOCC1CCCC1 313466794 AKWTZWSFJQYCAK-UHFFFAOYSA-N 245.326 2.572 30 20 BFED Cc1cc(C)nc(N=C(O)[C@@H]2C[C@]23CCOC3)c1 329623056 HKPQLUCCHQDYCI-FZMZJTMJSA-N 246.310 2.713 30 20 BFED Cc1noc(C2CC2)c1N=C(O)[C@@H]1CCCN1C 329842984 KPMUUTVZPFDMDC-JTQLQIEISA-N 249.314 2.543 30 20 BFED CC1(C/N=C(/O)Cc2ccc3n[nH]cc3c2)CC1 330004595 CSMJWQYJEWIVIR-UHFFFAOYSA-N 243.310 2.862 30 20 BFED CC(C)[C@H](C#N)NC(=O)[C@@H]1C[C@H]1C1CCCCC1 331413505 CRSYPEXJVCYOHQ-MJBXVCDLSA-N 248.370 2.867 30 20 BFED C[C@H](C(=O)N1CCC(CC#N)CC1)C(C)(C)C 334341874 PAMGVGZNDRHUNR-LLVKDONJSA-N 236.359 2.821 30 20 BFED C=CC(C)(C)CNC(=O)N1[C@H](C)CC[C@H]1C 334512224 PTXFXURBTMQIHJ-GHMZBOCLSA-N 224.348 2.781 30 20 BFED C=CCN(C)C(=O)c1cnc2ccsc2c1 336098537 RQQBALOWKKHISP-UHFFFAOYSA-N 232.308 2.554 30 20 BFED C[C@@H]1CC2(CCC2)CN1c1ccc(C#N)cn1 336137834 NCFRZONJQPUMKB-LLVKDONJSA-N 227.311 2.722 30 20 BFED N#CC1(c2nc(-c3ccoc3)no2)CCCC1 336179947 FHHJRRPJZVGMKM-UHFFFAOYSA-N 229.239 2.665 30 20 BFED Cc1cc(C)cc([C@@H](C)NC(=O)[C@@H](C)C#N)c1 336558494 YCXAXANNAYYDFU-NWDGAFQWSA-N 230.311 2.640 30 20 BFED CCS[C@H]1CC[C@H](N(C)CCC#N)C1 336672370 MKPCLTNSHMZRPT-QWRGUYRKSA-N 212.362 2.506 30 20 BFED C=CCCCCN[C@@H]1CCC[C@@H]1[C@H]1CCCN1 336713039 OCJPDDHISVDASY-RRFJBIMHSA-N 236.403 2.853 30 20 BFED N#CCCNCc1ccc(C(F)(F)F)s1 336721550 DSNZILNDUODQJS-UHFFFAOYSA-N 234.246 2.770 30 20 BFED N#C[C@@H]1CC[C@H](NC[C@@H]2CC=CCC2)C1 336743508 YBMZYZUBIOPOKC-UPJWGTAASA-N 204.317 2.625 30 20 BFED C=CCCOc1ccc2cncnc2c1 339027329 XGUIGFRUIFUZOW-UHFFFAOYSA-N 200.241 2.585 30 20 BFED C=CCOCCCSCCn1cc(C)cn1 340626740 WITJJLOKUVXKQI-UHFFFAOYSA-N 240.372 2.517 30 20 BFED C=CCCN(C)C(=O)Cn1ccc2ccccc21 342045125 XYLOELMDDMVWPY-UHFFFAOYSA-N 242.322 2.676 30 20 BFED C[C@H]1CCN(Cc2ccc(CC#N)cc2)[C@H]1C 343529749 CERKMQGGRKRABI-STQMWFEESA-N 228.339 2.983 30 20 BFED CC(C)CCC[C@H](C)NC(=O)NCCCC#N 343633867 UDBYYPBTDSADSO-LBPRGKRZSA-N 239.363 2.804 30 20 BFED C=C(C)CCc1noc([C@H]2CCC[C@H](O)C2)n1 347213848 KQBHPHJQPCOBRO-QWRGUYRKSA-N 236.315 2.597 30 20 BFED C=C(C)CN(C)[C@@H](C)C(=O)Nc1cccc(C)c1 351062306 IMHISHFIXFRJBI-ZDUSSCGKSA-N 246.354 2.830 30 20 BFED C=CCCC1(C(=O)N(C)Cc2ccncc2)CC1 353848646 BTJJYONQDKLWQL-UHFFFAOYSA-N 244.338 2.786 30 20 BFED C=C[C@@H](C)NC(=O)N1CC[C@@H](C)C2(CCC2)C1 356219299 GPJGFDILKIZQBK-VXGBXAGGSA-N 236.359 2.783 30 20 BFED C=C(C)CNc1ccccc1C[S@](C)=O 380127284 SAPMBNBCYZTAFO-HNNXBMFYSA-N 223.341 2.553 30 20 BFED C=CCCCCCN(C)[C@@H](C)C(C)(C)O 382929142 FUNPSTUVBNMDML-LBPRGKRZSA-N 213.365 2.824 30 20 BFED C#C[C@@H](Nc1nc(C)c(C#N)cc1Cl)C(C)C 383563925 AOJSDPRDINZXSB-GFCCVEGCSA-N 247.729 2.985 30 20 BFED C#CCOc1ccccc1CN[C@H]1CCC1(C)C 385125259 FNACSITZDYWXLV-HNNXBMFYSA-N 243.350 2.977 30 20 BFED C=CCCC[C@H](C)N[C@@H]1CC[C@H]2CNC[C@H]2C1 401049138 SITFWPIYEDTUAF-BYNSBNAKSA-N 236.403 2.709 30 20 BFED C=CCC[C@H](C)NCc1nnc(C2CC2)s1 414321034 DBKSNEFIWZGNMS-VIFPVBQESA-N 237.372 2.860 30 20 BFED C=CCCC1(c2nc(C3(N)CCCC3)no2)CC1 414622891 SZNWCBPILRRXRL-UHFFFAOYSA-N 247.342 2.795 30 20 BFED C=C(C)CCNC(=O)[C@@H]1CCCC[C@@H]1C 424860756 FLGRHBNMMNCYLN-NWDGAFQWSA-N 209.333 2.895 30 20 BFED N#CCCCCNc1c(C#N)cccc1[N+](=O)[O-] 425227456 OSUWPANJEAVUGR-UHFFFAOYSA-N 244.254 2.572 30 20 BFED C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[C@H](C#N)C1 425380138 CKNDYUNEYBLRFU-XQHKEYJVSA-N 249.358 2.557 30 20 BFED C[C@@H](c1cccc(C#N)c1)N(C)CC1(C)COC1 425542936 YXNZYBJWIWZBSQ-LBPRGKRZSA-N 244.338 2.588 30 20 BFED C=C(C)[C@H]1OCC[C@H]1CNCc1ccccc1 435747458 IIUJVPBXHKITSD-LSDHHAIUSA-N 231.339 2.757 30 20 BFED C=CCC[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 449572888 OUCOLBSPRKRHBB-QJPTWQEYSA-N 219.332 2.833 30 20 BFED CC(C)[C@@H]1C[C@H]1CNc1cnccc1C#N 450806287 FDNFASHHYAERCT-RYUDHWBXSA-N 215.300 2.657 30 20 BFED C=C[C@@H]1OCCC[C@H]1NCCCc1ccccc1 451674182 MXRDGYIQENRHFB-CVEARBPZSA-N 245.366 2.942 30 20 BFED C=C(CC)CNC(=O)[C@@H](C)c1ccccc1 453018022 NYUJHPBBBRYMJI-LBPRGKRZSA-N 217.312 2.873 30 20 BFED C=CC[C@H](CO)CN[C@@H](C)c1csc(C)c1 453173024 YHKCWNVFMODDOW-RYUDHWBXSA-N 239.384 2.892 30 20 BFED C=C(C)CNC(=O)N[C@H](CC)C1CCCC1 454844881 XHHWMLKSCMVAQX-GFCCVEGCSA-N 224.348 2.831 30 20 BFED C=C[C@H]1CCCCN1C(=O)NC/C=C\CC 459015344 PDKQKPYBXGWFDC-HWPRWLFBSA-N 222.332 2.703 30 20 BFED C=C(CC)CNC(=O)N1CC(C)(C)[C@@H]1C1CC1 459079604 DCZIGYOCTHHDAJ-LBPRGKRZSA-N 236.359 2.783 30 20 BFED C=CCC[C@@H](CCC)NCCN1CC=CCC1 475495516 MGGZPBNLVUJLAF-OAHLLOKOSA-N 236.403 2.973 30 20 BFED C#C[C@@H](C)N(C)C(=O)C[C@@H](C)c1cccc(F)c1 491486986 ZQOWLOXJBHUBTQ-VXGBXAGGSA-N 247.313 2.799 30 20 BFED C#C[C@H](C)N(C)C(=O)c1ccc(C)c(Cl)c1 491663338 DHPIFENIUXSZHO-JTQLQIEISA-N 235.714 2.742 30 20 BFED C=CCN(C(=O)N[C@H]1CCC[C@@H](F)C1)C1CC1 516924380 LMVCYDQTTVWCST-MNOVXSKESA-N 240.322 2.627 30 20 BFED Cc1nn(C(C)C)cc1CN(CCC#N)C(C)C 546688198 VUVCKJYTQRINQA-UHFFFAOYSA-N 248.374 2.897 30 20 BFED 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CN(C(=O)N1CCC[C@H](CC#N)C1)C1CCCC1 594805511 OSTMKVNYDCQXCW-GFCCVEGCSA-N 249.358 2.606 30 20 BFED CCC(C#N)(CC)C(=O)NCCC(C)(C)F 600095432 HJOAUTVKGQZRDF-UHFFFAOYSA-N 228.311 2.571 30 20 BFED CCC[C@H](C)NC(=O)c1ccccc1CC#N 600982929 FFVWRLINEXHCQU-NSHDSACASA-N 230.311 2.671 30 20 BFED C[C@H](CCC#N)CN[C@H](C)c1cccnc1 602503752 QIHCEMNWNILWFW-VXGBXAGGSA-N 217.316 2.672 30 20 BFED CC1=C(C)CN(C[C@@H](C)CCC#N)CC1 602641780 CZWXPUQPAQLHQY-NSHDSACASA-N 206.333 2.968 30 20 BFED C[C@@H](CCC#N)CN1CCC[C@]1(C)CCCO 602665257 GIESUWIFUBCVLU-UONOGXRCSA-N 238.375 2.553 30 20 BFED CCCCN(CC)C(=O)c1cc(O)cc(C#N)c1 614293690 TZNGUJVYWJPXIL-UHFFFAOYSA-N 246.310 2.526 30 20 BFED C=CC[C@H]1CCCN(C(=O)c2ccc(C)nc2)C1 617786777 AGACMXNDCFOUEB-ZDUSSCGKSA-N 244.338 2.818 30 20 BFED N#C[C@H](Cc1ccccc1)Sc1ncco1 618457398 PVCOBGFYILQBOJ-NSHDSACASA-N 230.292 2.902 30 20 BFED C=CCC1(NCCCCO)CCCCC1 625936654 SNHOFAJDVMWUOY-UHFFFAOYSA-N 211.349 2.628 30 20 BFED C=C[C@@H](C)NC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 626066727 PGXUQRVJJYFYNZ-MPPDQPJWSA-N 207.317 2.503 30 20 BFED C=C(C)c1ccc([C@H](C)N2CCNCC2)cc1 629729924 JYEZYRQILNOIOI-ZDUSSCGKSA-N 230.355 2.686 30 20 BFED C=CC[C@H]1CCCN(C(=O)C(C)(C)OCC)C1 633619734 WBDAPXZZXOTJPM-LBPRGKRZSA-N 239.359 2.616 30 20 BFED C=CCC(C)(C)C(=O)N1CCC(C)(F)CC1 634361301 WSKRCNXZHDOEPF-UHFFFAOYSA-N 227.323 2.939 30 20 BFED C=CCC(CC=C)C(=O)N1O[C@H]2C=C[C@H]1CC2 636412723 XZRHLNHOJGZQHQ-STQMWFEESA-N 233.311 2.616 30 20 BFED C=CCCn1cc(CN2[C@@H](C)CC[C@H]2CC)nn1 653596771 LRTWPTPEDFHDAN-GXTWGEPZSA-N 248.374 2.617 30 20 BFED C=CCCn1cc(CNc2cccc(C)c2)nn1 656115593 PKHMROFIUPPNLO-UHFFFAOYSA-N 242.326 2.775 30 20 BFED O=C(NO)c1cc2c(Cl)c(Cl)ccc2[nH]1 671995912 MNQDYEHGTBIOCL-UHFFFAOYSA-N 245.065 2.594 30 20 BFED COCC#CCOc1ccc(Cl)cc1C 677888558 XEVXGXVMGHGJKO-UHFFFAOYSA-N 224.687 2.677 30 20 BFED CCC#C[C@@H](C)N[C@H](C)c1cnn(C(C)C)c1 680419772 IIQDIHYZFWPYSJ-CHWSQXEVSA-N 233.359 2.917 30 20 BFED C=CCC1(NC(=O)c2cccnc2F)CCCC1 690814398 HQEIIQXGYZSMBM-UHFFFAOYSA-N 248.301 2.839 30 20 BFED N#Cc1c(F)cccc1N1CCC[C@@H](CF)C1 711517627 KBXKILTVXWBZQE-JTQLQIEISA-N 236.265 2.883 30 20 BFED CCc1nc(C)cn1Cc1cc(F)ccc1C#N 715115909 RNMGAXYHTHIUPX-UHFFFAOYSA-N 243.285 2.813 30 20 BFED C=CCCCCCN(C)C(=S)NC(C)C 739459526 QLBGJXBOMSPOMB-UHFFFAOYSA-N 228.405 2.948 30 20 BFED Cc1ccnc(NN=Cc2csc(C)n2)c1 755900645 MZNBHFSGHSWCBP-UHFFFAOYSA-N 232.312 2.601 30 20 BFED CC(CSC(C)(C)C)=NNC1CCOCC1 757593227 QPJJOQXIJNFENN-UHFFFAOYSA-N 244.404 2.663 30 20 BFED C[C@@H]1C[C@H]1C=NNCc1cc(F)ccc1F 758371772 CRIVVIMYWYAPGP-BDAKNGLRSA-N 224.254 2.696 30 20 BFED C[C@@H]1C[C@@H]1C=NNCc1ccc(F)c(F)c1 758372361 MYAZBBXNOGOYSU-PSASIEDQSA-N 224.254 2.696 30 20 BFED C#CCCNc1ccc(C(=O)NC(C)C)cc1C 760293089 XSIDMWIUVJPNGG-UHFFFAOYSA-N 244.338 2.568 30 20 BFED C=CCN(C(=O)C1Cc2ccccc2C1)C(C)C 761707227 NUJDQYSVEJDPKO-UHFFFAOYSA-N 243.350 2.824 30 20 BFED C#CCN(C[C@H]1C[C@H]1c1ccccc1)C1CC1 764681036 DIYLBBUNLAZYNI-ZBFHGGJFSA-N 225.335 2.888 30 20 BFED C#CCN(Cc1cscc1Cl)C1CC1 764682936 MKJLKSSSCJLRQA-UHFFFAOYSA-N 225.744 2.999 30 20 BFED Clc1ccc(CNN=Cc2cccnc2)cc1 764714265 DBDKJMOXKOQXGA-UHFFFAOYSA-N 245.713 2.859 30 20 BFED C#CCCN(CC(F)(F)F)C(=O)/C=C/CCC 768615044 QAWQIJWTITZHDI-BQYQJAHWSA-N 247.260 2.757 30 20 BFED CC[C@H](OC)C(=O)OCCCCC(C)(C)C#N 768651124 MADLHRAKABUXBM-NSHDSACASA-N 241.331 2.675 30 20 BFED Fc1cc(F)cc(NN=C2CCCOCC2)c1 770601571 KBGIIGSPTVKBSM-UHFFFAOYSA-N 240.253 2.933 30 20 BFED C#CC[C@@H](NC1CCOCC1)c1ccccc1 773118426 ZMHSGAJFWSJIHJ-OAHLLOKOSA-N 229.323 2.520 30 20 BFED C=CCNC(=S)Nc1cccc2cc[nH]c12 774233798 QSZIPCLRJUQYPN-UHFFFAOYSA-N 231.324 2.640 30 20 BFED C=CCCC(=O)COC(=O)[C@@H]1C[C@@]1(C)C(C)C 775083356 WVVIYCDFXMJKGN-JSGCOSHPSA-N 238.327 2.747 30 20 BFED C#C[C@@H](C)N(C)C[C@@H]1CCOc2ccccc21 775185071 YHHLGRFBUHQAKU-OLZOCXBDSA-N 229.323 2.506 30 20 BFED N#CC1(COC(=O)/C=C/c2cccs2)CC1 775828564 PNYRLAVNYFXQED-ONEGZZNKSA-N 233.292 2.608 30 20 BFED CC[C@@H](NCC1(C#N)CC1)c1ccccc1O 776007399 KWBUEGVJQKDXEV-GFCCVEGCSA-N 230.311 2.737 30 20 BFED CC(C)(C)C1CCC(CC(=O)NO)CC1 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2.977 30 20 BFED CC#CC(=O)NCc1ccc(C(C)(C)C)cc1 801119537 QOJUSBAYIKBHIC-UHFFFAOYSA-N 229.323 2.624 30 20 BFED C#C[C@H](NCc1ccc(OCC)c(F)c1)C(C)C 809685226 HILKXGIYQYDRDT-AWEZNQCLSA-N 249.329 2.972 30 20 BFED C#CCN(CC#N)C[C@H](C)c1cccc(Cl)c1 810002544 WJCKBYYHZNHCLP-LBPRGKRZSA-N 246.741 2.902 30 20 BFED C=CCCCCCCCNC(=O)c1cncn1C 811589900 LFZJPEMZBYLSEI-UHFFFAOYSA-N 249.358 2.677 30 20 BFED C(=NOC1CCC1)c1scnc1C1CC1 812236828 WAJNHPQHXHAWLX-UHFFFAOYSA-N 222.313 2.924 30 20 BFED C#CCCN(Cc1ccc(Cl)cc1)OC 812911231 NCAJRAZHJQTUEA-UHFFFAOYSA-N 223.703 2.727 30 20 BFED COc1ccc(O)c(C(C)=NOCC2CC2)c1 814243446 WLFUMRCXRJZDST-UHFFFAOYSA-N 235.283 2.551 30 20 BFED C(=NOCC1CC1)[C@H]1CCOc2ccccc21 814243986 AJKKJSPDLICXGX-GFCCVEGCSA-N 231.295 2.965 30 20 BFED CCCCC(COC)=NOCCC1CC1 814246048 AXWNXYHNGBQLAZ-UHFFFAOYSA-N 213.321 2.996 30 20 BFED FC(F)(F)CCNN=Cc1ccc(Cl)o1 814920157 CDWDCVIMDJHIQE-UHFFFAOYSA-N 240.612 2.809 30 20 BFED CSCCON=Cc1ncc(C(C)C)s1 814922179 YAZFERWUOHTCOJ-UHFFFAOYSA-N 244.385 2.980 30 20 BFED CC[C@@H](C)CON=C(C)C1CCN(C)CC1 814939407 PUQFZGUDCAETJY-LLVKDONJSA-N 226.364 2.767 30 20 BFED C#CCCN1CC[C@H](Oc2ccc(Cl)cc2)C1 815208212 OZMBJUGBLSCWIC-AWEZNQCLSA-N 249.741 2.816 30 20 BFED C#C[C@H](CCC)NC(=O)N(CC(C)C)C(C)C 820640115 LUSRDPMCSRUWJS-CYBMUJFWSA-N 238.375 2.864 30 20 BFED CC(C)CN(CCC#N)Cc1cncn1C(C)C 822438596 KGRPBBCDGUUYAL-UHFFFAOYSA-N 248.374 2.836 30 20 BFED C=C[C@H](CC)CC(=O)N[C@]1(C)CC1(C)C 825684703 YQQBSFGLKAMPQP-ZWNOBZJWSA-N 209.333 2.894 30 20 BFED CC/C(C)=C\C(=O)Nc1ccc(OC)c(C#N)c1 830413290 MPAWOVOOTSGFEE-YFHOEESVSA-N 244.294 2.862 30 20 BFED C=C(C)COc1ccccc1NC(=O)O 833369707 BSHYELZWXMPOTG-UHFFFAOYSA-N 207.229 2.731 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(C)cc1O 834888123 KPRJJIPFKUFQTF-KYOSRNDESA-N 247.338 2.695 30 20 BFED C[C@H]1CC(=NOCc2ccccc2)[C@H](C)O1 834938218 DCSHGYPIRYMQTF-QWRGUYRKSA-N 219.284 2.757 30 20 BFED CC(C)(C=NNCC(F)F)Oc1ccccc1 834959392 QTKNCTILJNRUBX-UHFFFAOYSA-N 242.269 2.685 30 20 BFED Cc1cccc(C=NN[C@@H]2CCSC2)c1F 834978876 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CC[C@H](C#N)SC1=N[C@@H](C)CS1 127915152 MZVNLDWDABWIFY-NKWVEPMBSA-N 200.332 2.513 30 20 BFED CC[C@@H](C)N/C(N)=N/CCc1c(C)cccc1C 130723678 XAZCITQEDIPCJL-CYBMUJFWSA-N 247.386 2.549 30 20 BFED C[C@H]1CCC[C@H](N(C)c2ccc(C#N)nc2)C1 149352788 YEIMLVMRLMBTPJ-AAEUAGOBSA-N 229.327 2.968 30 20 BFED C#CCSCCNCc1sccc1C 152939856 JHKIACTYXGAGMX-UHFFFAOYSA-N 225.382 2.513 30 20 BFED CC(C)(C)[C@@H](NC(=O)CC#N)c1ccccc1 153612291 MNHHNHVEWKVRID-ZDUSSCGKSA-N 230.311 2.804 30 20 BFED C=CCCOCCNC(=O)C[C@@H](CC)C(C)C 155443930 AYVDEHRHIMJDHP-CYBMUJFWSA-N 241.375 2.768 30 20 BFED C=C(C)CNC(=O)N[C@@H]1CCC[C@@H](SC)C1 156618727 CCZAYWQIHIECMQ-GHMZBOCLSA-N 242.388 2.536 30 20 BFED CCc1nc(CN(CC#N)C2CCCC2)cs1 156664139 JLLBECBCQWBABI-UHFFFAOYSA-N 249.383 2.974 30 20 BFED C#CCN[C@H](Cc1ccc(F)cc1)C(C)C 157189988 GYTWLPCJZTVXPG-CQSZACIVSA-N 219.303 2.616 30 20 BFED C=C(C)CN(CC)Cc1c(CC)noc1C 162068327 AFTSRJLMOJMOHB-UHFFFAOYSA-N 222.332 2.943 30 20 BFED N#Cc1ccc(NCc2ccc(CO)cc2)cc1 163393190 KYCIUMYVBZMSSO-UHFFFAOYSA-N 238.290 2.663 30 20 BFED C=C(Br)CS[C@@H]1CCO[C@@H]1C 163452997 GJOHTUNFLYSJAZ-HTQZYQBOSA-N 237.162 2.806 30 20 BFED CCCN(c1ccc(Cl)c(C#N)n1)C1CC1 167448033 IZHYAYQTLUZSGB-UHFFFAOYSA-N 235.718 2.985 30 20 BFED C=CCCOC(=O)CCc1ccccc1OC 171485288 WLDKXLRNLJVDHK-UHFFFAOYSA-N 234.295 2.747 30 20 BFED C=CCCCCCN(C)CC(=O)N[C@@H](C)CC 172654220 SZUBRAOLWQIUOV-ZDUSSCGKSA-N 240.391 2.579 30 20 BFED N#CCC1(COC(=O)CC2CCCC2)CC1 174743579 TYHQXPPRTLCHOF-UHFFFAOYSA-N 221.300 2.804 30 20 BFED Cc1ccc(C(=O)N[C@](C)(C#N)C(C)C)c(F)c1 176315798 UEOJAYDJYMSIGU-CQSZACIVSA-N 248.301 2.802 30 20 BFED N#Cc1cccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)c1 176443466 KYJSDUDHCTXMQW-CHWSQXEVSA-N 226.279 2.543 30 20 BFED C=CC[C@@H](C)NC(=O)N[C@H](C)CCSCC 176865117 AJDVDZCHSQMJBZ-GHMZBOCLSA-N 244.404 2.782 30 20 BFED C=CCCCC(=O)N[C@]1(C#N)CCC[C@H](C)C1 177865397 FOASMJYYLBDYNP-GXTWGEPZSA-N 234.343 2.931 30 20 BFED C=CCN(CC=C)C(=O)N[C@H](CC)CSC 179971331 WQYFIMSIPWWHRN-LLVKDONJSA-N 242.388 2.512 30 20 BFED CC#CCCCC(=O)N1CCn2cccc2[C@@H]1C 184341171 DDZAGUMKPQDRSG-ZDUSSCGKSA-N 244.338 2.585 30 20 BFED C[C@@H]1CCN(Cc2cc(F)ccc2C#N)C1 229958551 XBJXJXAIZIFBMH-SNVBAGLBSA-N 218.275 2.539 30 20 BFED N#Cc1ccccc1SC[C@@H]1CCCO1 231660946 QMWCVXWGAPZEOG-NSHDSACASA-N 219.309 2.829 30 20 BFED N#Cc1ccnc(NCc2ccc(Cl)cc2)n1 231896414 FETWXHNFGBNYFD-UHFFFAOYSA-N 244.685 2.614 30 20 BFED O=C(/C=C\c1cccc2nccn12)c1ccco1 255311962 SXWKFRHSMZOHEI-SREVYHEPSA-N 238.246 2.823 30 20 BFED CN(CC1(C#N)CCC1)c1ccc(F)cc1 258878072 IRHQYNSGCXJELW-UHFFFAOYSA-N 218.275 2.956 30 20 BFED COc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 260000758 LRYJUUZMSOYOLV-ZDUSSCGKSA-N 244.338 2.821 30 20 BFED C=C1CCN(C(=O)c2ccccc2F)CC1 264122096 FHKHXGRSQAODEN-UHFFFAOYSA-N 219.259 2.618 30 20 BFED CO[C@@]1(C)C[C@@H](Nc2cccc(C#N)n2)C1(C)C 266733299 OIVJCIRBTKNPQX-RISCZKNCSA-N 245.326 2.569 30 20 BFED CC(C)c1ccc(C(=O)N(C)CCC#N)c(O)c1 268254475 PJNUJLIFTZYQLR-UHFFFAOYSA-N 246.310 2.501 30 20 BFED CC(C)OCCCN1CCc2ccc(C#N)cc21 270358931 XRCPQSWEBUMROX-UHFFFAOYSA-N 244.338 2.736 30 20 BFED CCN(CC#N)Cc1cnc2ccccc2c1 271115974 BUXHHDCYHAKQHA-UHFFFAOYSA-N 225.295 2.580 30 20 BFED C=CCN(C(=O)/C=C/c1cnccc1C)C1CC1 273172999 DDKYHZWKYSWFND-QPJJXVBHSA-N 242.322 2.580 30 20 BFED C#CCCN[C@@H](C)[C@H](C)c1ccccc1 273394608 ODYBMSMQLHZUPB-STQMWFEESA-N 201.313 2.792 30 20 BFED C#CCCCC(=O)Nc1ccc(N(C)C)cc1C 277306122 VYPDIKHTFVUOMY-UHFFFAOYSA-N 244.338 2.803 30 20 BFED CC#CCCCC(=O)N1CCCC(C)(C)[C@@H]1C#N 277952254 OYFSOXQEKMLJSB-ZDUSSCGKSA-N 246.354 2.721 30 20 BFED C#CCCCC(=O)N[C@@H]1CCc2ccccc21 277996062 ZRXYSYULRVTJSX-CQSZACIVSA-N 227.307 2.594 30 20 BFED C#CC(C)(C)N(C)CCc1ccc(OC)cc1 279348847 VITRIPGLPFSNOK-UHFFFAOYSA-N 231.339 2.581 30 20 BFED C#CCn1ccc(CN(CC)[C@@H](C)CCC)n1 282193793 WRZRLBAWPUFUNX-ZDUSSCGKSA-N 233.359 2.527 30 20 BFED C=CCn1c(C2CCC2)nnc1N(C)CCC 283463679 JHKVSAQFKGWHBF-UHFFFAOYSA-N 234.347 2.578 30 20 BFED C[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)c(C#N)c1 284681827 ODSXQEJWXJCQLH-NOZJJQNGSA-N 246.285 2.616 30 20 BFED CC[C@H](CC#N)NC(=O)c1nc(C(C)C)oc1C 285986878 GFGACEJHNHOVJO-SNVBAGLBSA-N 249.314 2.529 30 20 BFED CC(C)(C)SCCNc1cc(C#N)ccn1 288143440 YXHCWIBLXYMQOW-UHFFFAOYSA-N 235.356 2.897 30 20 BFED C#Cc1ccc(CN(CCC)CC(C)(C)O)cc1 289325333 KJJKETMKOYXVLH-UHFFFAOYSA-N 245.366 2.651 30 20 BFED C=C[C@H](CO)N[C@@H](C)c1ccc(OCCC)cc1 290011918 ZWZDBUVQEBRBFP-GXTWGEPZSA-N 249.354 2.673 30 20 BFED C=CCCCCCN1CC[C@H](n2cccn2)C1 291662585 FWNDYPICGIWLMA-AWEZNQCLSA-N 233.359 2.876 30 20 BFED CC[C@@H](Nc1cccc(F)c1C#N)C(C)(C)O 292892602 VZUIDJUIWCPHIY-GFCCVEGCSA-N 236.290 2.659 30 20 BFED COC[C@@]1(C)CCN(c2cccc(F)c2C#N)C1 294254442 QHHSSADUESSRIE-AWEZNQCLSA-N 248.301 2.560 30 20 BFED Cc1cc(C)cc(CSC[C@H](O)CC#N)c1 296055129 QVMXLEGNCQYBIU-CYBMUJFWSA-N 235.352 2.811 30 20 BFED C#CCO[C@H](C)c1nc(CC2CCCC2)no1 296283537 CTFMIWBUICEMME-SNVBAGLBSA-N 234.299 2.513 30 20 BFED C=CCN(Cc1ccccc1F)[C@H](C)COC 299409236 OJLOIYUEGORHEJ-GFCCVEGCSA-N 237.318 2.849 30 20 BFED C=CCN(Cc1ccccc1)c1ncccn1 302072501 UWCRFGZBJGKMQQ-UHFFFAOYSA-N 225.295 2.669 30 20 BFED Cc1cc([C@H](C)Nc2ncncc2C#N)c(C)o1 302550792 VJFHGDQHYCCUNA-VIFPVBQESA-N 242.282 2.731 30 20 BFED Cc1nc(C#N)cc(NC[C@@H]2C[C@H]3CC[C@H]2C3)n1 308269555 RHKOJEITEIIZNI-SRVKXCTJSA-N 242.326 2.505 30 20 BFED Cc1cc(N[C@H](C)c2ccccn2)cc(C#N)n1 308278940 VIMPZNDFTXRDQQ-LLVKDONJSA-N 238.294 2.830 30 20 BFED Cc1nc(C#N)cc(NC[C@H]2CCC[C@H]2C)n1 308407407 KHRIVWYMMLSGKB-MWLCHTKSSA-N 230.315 2.505 30 20 BFED C=CC[C@H](C)N[C@@H]1CCC[C@H]1CCOC 309055388 UERZAPWPZGDRHQ-RWMBFGLXSA-N 211.349 2.746 30 20 BFED C[C@@H](CN(C)C)Nc1c(Cl)cccc1C#N 309685095 HCUFXTLAUNRNJV-VIFPVBQESA-N 237.734 2.574 30 20 BFED CC1=C(C(O)=Nc2cnc(N(C)C)nc2)CCC1 328658381 QXSIPBKQQIUSEF-UHFFFAOYSA-N 246.314 2.631 30 20 BFED C[C@@H]1C[C@H](/C(O)=N/[C@]2(C#N)CC2(C)C)CCC1=O 330167370 YWYWMMIIZIPIFL-RULNRJAQSA-N 248.326 2.640 30 20 BFED CCC1(CNC(=O)CCCC#N)CCCC1 330887999 HQSJYOKPJWLZGF-UHFFFAOYSA-N 222.332 2.767 30 20 BFED C[C@H](C1CC1)n1cc(N[C@@H]2CC[C@@H](C#N)C2)cn1 333097026 PHEVXPMVJYVCCB-NQBHXWOUSA-N 244.342 2.958 30 20 BFED C=C(C)CNC(=O)c1c(Cl)cncc1Cl 335326688 OKZAWYCNYQKPQR-UHFFFAOYSA-N 245.109 2.694 30 20 BFED C[C@H]1C[C@@]1(C#N)C(=O)N1CCCc2ccccc21 335428152 KYLYPFJNVUYHHX-NHYWBVRUSA-N 240.306 2.516 30 20 BFED C[C@H]1C[C@@H](C)CN1c1ncc(C#N)cc1Cl 335673711 BPERBNPDUUHHNK-BDAKNGLRSA-N 235.718 2.841 30 20 BFED N#CC1CCN(Cc2ccc(Cl)o2)CC1 335966081 ZJDRXIVQYDQYSV-UHFFFAOYSA-N 224.691 2.669 30 20 BFED C[C@H]1CN(C(=O)CC#N)CC[C@@H]1c1ccccc1 336024108 HEFWPRLPURRRID-JSGCOSHPSA-N 242.322 2.552 30 20 BFED N#C[C@@H]1CCC[C@@H]1NCC1=CCCCC1 336230831 MIPINPNYECJPDI-STQMWFEESA-N 204.317 2.769 30 20 BFED Cc1ccc(C(=O)N[C@@H](C)CC#N)c2c1CCC2 336238918 JQYGDRSEWAASEL-NSHDSACASA-N 242.322 2.516 30 20 BFED Cc1cccc(CN(C)C(=O)[C@]2(C#N)C[C@@H]2C)c1 336247186 MBKWSIFZGQTXAJ-WFASDCNBSA-N 242.322 2.503 30 20 BFED Cc1cc(C#N)cc(N2CCCC3(CC3)C2)n1 336324674 AVJNPJRHBKLURZ-UHFFFAOYSA-N 227.311 2.642 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)CC1CC1 336734078 HBUKNFKOSMYZNH-BNOWGMLFSA-N 223.360 2.746 30 20 BFED C=CCOCCN1CCc2c(C)cc(C)cc2C1 339090640 KMPKMZLKANAMMX-UHFFFAOYSA-N 245.366 2.864 30 20 BFED C=CC[C@@H]1N(C[C@@H](O)CC)CCCC1(C)C 339129738 MSEUDQMNWWKEQO-STQMWFEESA-N 225.376 2.824 30 20 BFED C=CC[C@H](CC)NC(=O)N(C)[C@H]1CC1(C)C 341425621 AXHDWRULSQSXPQ-QWRGUYRKSA-N 224.348 2.781 30 20 BFED CC#CCNC(=O)NCC1CCC(C)(C)CC1 342427073 AQVIMIXWCDEHKX-UHFFFAOYSA-N 236.359 2.525 30 20 BFED CC(C)[C@H](C#N)NC(=O)C1C[C@H](C)C[C@@H](C)C1 343635752 AEUCCVCBRSLPIW-WZRBSPASSA-N 236.359 2.723 30 20 BFED C[C@@H](C#N)CN(C)C(=O)CCCC(C)(C)C 349261014 NJJIGZOOXFVNBJ-NSHDSACASA-N 224.348 2.821 30 20 BFED C=CC[C@H](C)NC(=O)[C@@H]1CC=CC[C@@H]1C 352983138 DBDDBGPTLIVYAF-SDDRHHMPSA-N 207.317 2.670 30 20 BFED CCCN(CC#N)C(=O)[C@@H]1CCCC[C@@H]1CC 354784959 FRPLHNLWZNQTRI-QWHCGFSZSA-N 236.359 2.965 30 20 BFED C=CCCC1(C(=O)N2CC[C@H](C3CC3)C2)CC1 356599625 WPQIPOWCAFJUEU-ZDUSSCGKSA-N 233.355 2.991 30 20 BFED C=CCN(C(=O)N[C@@H](C)CC1CC1)C1CC1 357587088 GSJAYVBFMIPFAI-JTQLQIEISA-N 222.332 2.535 30 20 BFED Cc1ccccc1C[C@@H]1CCCN1CCC#N 358968284 QYUSMBXRIDNCIS-HNNXBMFYSA-N 228.339 2.916 30 20 BFED C=CCOCCCSCc1cc(C)on1 359099679 GRGUSNWCOQGSBF-UHFFFAOYSA-N 227.329 2.809 30 20 BFED CCN(CCC#N)CC1(OC)CCCCC1 361508866 QOLQPJHQFWMGHN-UHFFFAOYSA-N 224.348 2.571 30 20 BFED CN(c1ncc(C#N)cc1Cl)[C@H]1CC1(C)C 362850367 AYCFATCWPYPNFM-JTQLQIEISA-N 235.718 2.841 30 20 BFED C=CCCN1CCO[C@H](c2cccc(C#N)c2)C1 367141114 OKVSJTUZZLGPDF-HNNXBMFYSA-N 242.322 2.508 30 20 BFED C=CCCCOC(=O)[C@H](CC)SC 379405564 UIIOOFKDMJDLKP-VIFPVBQESA-N 202.319 2.637 30 20 BFED C=C(C)CNc1cccc2c1OCCC2=O 390337890 MBFBXQVTNBWCLC-UHFFFAOYSA-N 217.268 2.640 30 20 BFED C=C(C)CNc1ccc(C(=O)OC)c(F)c1 390530835 IMMSFJFEBNSUPL-UHFFFAOYSA-N 223.247 2.600 30 20 BFED CSC(C)(C)CC=NOCC1CC1 393967570 NKJAPRLHSNDMEH-UHFFFAOYSA-N 201.335 2.931 30 20 BFED Cc1cscc1C(=O)N1CCC[C@H](CC#N)C1 397801922 MSNRMQPIFCUITM-LLVKDONJSA-N 248.351 2.822 30 20 BFED CC(C)(C)CCC(=O)N1CCC[C@@H](CC#N)C1 397806413 NKUPHQLHFMXXOH-LBPRGKRZSA-N 236.359 2.965 30 20 BFED CCC(C)(C)N(C)C[C@@H](O)c1cccc(C#N)c1 402385847 KANTXYJMNQUNKG-CQSZACIVSA-N 246.354 2.712 30 20 BFED C[C@H](NCc1ccc(C#N)c(F)c1)C(C)(F)F 404164006 VPTGIFJDLRXQEZ-QMMMGPOBSA-N 242.244 2.831 30 20 BFED Cc1[nH]nc(-c2ccccc2)c1CCC#N 409441052 PPWJWJNDPZDHOT-UHFFFAOYSA-N 211.268 2.841 30 20 BFED C=C(C)CN(CC)C(=O)[C@@H](C)CC(F)F 411202773 WRGGXANHCIJSPP-VIFPVBQESA-N 219.275 2.702 30 20 BFED CC[C@@]1(C)C[C@@H]1C(=O)NCc1ccc(C#N)s1 421606078 YSCXYMXNAAIZLS-YPMHNXCESA-N 248.351 2.672 30 20 BFED COCC(C)(C)CN(CCC#N)CCC(C)C 426399669 BVTLCYFACAHXHO-UHFFFAOYSA-N 240.391 2.921 30 20 BFED N#C[C@H]1CC[C@H](NCCCOc2ccccc2)C1 442647937 LIAJDUKWHQODEC-KBPBESRZSA-N 244.338 2.737 30 20 BFED N#C[C@@H]1CC[C@@H](NCCc2ccc(F)cc2)C1 442649018 NJPKOPQNQVTTCP-TZMCWYRMSA-N 232.302 2.650 30 20 BFED C=C(C)CCNC(=O)Cc1cc(C)ccc1C 448550473 CNFGQQXXJJIJNH-UHFFFAOYSA-N 231.339 2.928 30 20 BFED C=CCCCC[C@@H](C)NC[C@@](C)(O)CSC 449164035 OGLZBGTTZTYQTN-CHWSQXEVSA-N 245.432 2.825 30 20 BFED C=CC[C@H](CO)CN[C@H](C)CC(C)(C)C 449200951 FYCMCGGQSXABCE-NEPJUHHUSA-N 213.365 2.585 30 20 BFED C=CCCCC[C@H](C)NCC1(CO)CCC1 449242191 WLAPSWVKVSBETE-ZDUSSCGKSA-N 225.376 2.874 30 20 BFED C=CC[C@H](C)[C@H](C)NCC[C@@H](C)CCO 449359981 SKGFKLAFKBYBNR-AGIUHOORSA-N 213.365 2.585 30 20 BFED C[C@@H]1C[C@]1(C#N)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 449945682 QXVRKNONANNJPA-CQROYNQRSA-N 246.354 2.621 30 20 BFED C[C@@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)C[C@H]1C 450000748 VWVVKVCHSLKDNV-JMSVASOKSA-N 246.354 2.575 30 20 BFED C=CCN(Cc1ccccc1)C[C@@H](O)CCC 450228453 UMQKQBFOCJQOPA-HNNXBMFYSA-N 233.355 2.836 30 20 BFED C=C(C)CCNc1cncc(SC)n1 450712986 JMXQWFXMZOHTOE-UHFFFAOYSA-N 209.318 2.577 30 20 BFED CC(C)CCCCC(=O)N(CC#N)C1CC1 457475263 JERWLQPCFTVHOF-UHFFFAOYSA-N 222.332 2.717 30 20 BFED C=CCC(C)(C)CNC(=O)N1CC[C@@](C)(F)C1 458807932 HJASBZCNTGFLFS-CYBMUJFWSA-N 242.338 2.732 30 20 BFED C=CCCCCNC(=O)N1CC[C@H]1C(C)C 474086023 AASWJJNCWMXHQW-LBPRGKRZSA-N 224.348 2.783 30 20 BFED C=CCn1cccc1C(=O)N(C)CC1CCC1 488959532 ZYPUNMUBPWJAKJ-UHFFFAOYSA-N 232.327 2.546 30 20 BFED COc1ccc(C#N)cc1CN(C)[C@@H]1CC1(C)C 489446379 NPJAMQUCLAGTHI-CQSZACIVSA-N 244.338 2.797 30 20 BFED C#CCN(CC)CCC1(C#N)CCCCC1 491630733 NVTKUDHVBKSUEQ-UHFFFAOYSA-N 218.344 2.806 30 20 BFED C#C[C@@H](C)N(C)Cc1nc(C(F)(F)F)cs1 491728463 MOHWAGXVYLTGGT-SSDOTTSWSA-N 248.273 2.615 30 20 BFED Cc1cc(C)c(C#N)c(NCC2CC=CC2)n1 528115691 SJTYMNHSECCRJD-UHFFFAOYSA-N 227.311 2.948 30 20 BFED C=CCCCN1CCC(CCC(=O)OC)CC1 531240822 XJKQFUJPBRHANK-UHFFFAOYSA-N 239.359 2.618 30 20 BFED N#CCCNCC1(Cc2ccccc2)CC1 567104578 VHPJVUVIYYXUON-UHFFFAOYSA-N 214.312 2.513 30 20 BFED C[C@@H]1C[C@@]1(C#N)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 577861011 ORSKBYWXUOIGKX-ZRQNBYAXSA-N 246.354 2.621 30 20 BFED N#CCC1(CSc2nc3c([nH]2)CCC3)CC1 594902274 UTFOSDGMMSNGSY-UHFFFAOYSA-N 233.340 2.684 30 20 BFED N#C[C@@H]1CCC[C@@H](NCCCc2ccco2)C1 595093876 PCOUEXGDKHDGGT-CHWSQXEVSA-N 232.327 2.884 30 20 BFED C=CCCN(C)Cc1ccc(F)cc1[N+](=O)[O-] 595455422 NFLRZWZRODWSEN-UHFFFAOYSA-N 238.262 2.742 30 20 BFED Cc1ccc(C#N)nc1N1C[C@H]2CCCC[C@H]2C1 596262172 BCKWKGLFHKOYHH-BETUJISGSA-N 241.338 2.888 30 20 BFED C[C@H]1CCC[C@@](C#N)(NC(=O)C2CC3(CC3)C2)C1 597257397 FMGQGSRGSULWEZ-XHDPSFHLSA-N 246.354 2.765 30 20 BFED CCC[C@@H](C)CC(=O)N(CC)[C@H](C)C#N 598356583 RUUVHJMZDYPIRT-GHMZBOCLSA-N 210.321 2.573 30 20 BFED N#C[C@@H](SCC(=O)c1ccccc1)C1CC1 601085775 XBQDEGQVOIXKCH-CYBMUJFWSA-N 231.320 2.905 30 20 BFED C=CCSCCNC[C@@H](CC(C)C)OC 602545220 OCBVGAJUWLBYDS-GFCCVEGCSA-N 231.405 2.556 30 20 BFED C[C@H](O)C[C@H]1CCCCN1C[C@@H](C)CCC#N 602642233 BCXVUDAERZWLEA-MELADBBJSA-N 238.375 2.552 30 20 BFED CN(Cc1cccc(O)c1)CC1(CC#N)CC1 602776377 GQQYMWYNLKKSTN-UHFFFAOYSA-N 230.311 2.518 30 20 BFED CC(C)(C#N)CCCCN1CC=CCC1 618304581 WONMNFGIOWAXCT-UHFFFAOYSA-N 206.333 2.968 30 20 BFED COC(=O)c1cccc(NC[C@@H](C)CCC#N)c1 618888508 VVGUDIPCAHMKDM-NSHDSACASA-N 246.310 2.825 30 20 BFED C=CCC(CC=C)C(=O)N(C1CC1)C1CC1 628816302 DVGVJXODSLCDFI-UHFFFAOYSA-N 219.328 2.908 30 20 BFED C=C(C)CCNC(=O)c1ccc(C)c(F)c1F 633305901 BEHOIKJNOYFMQY-UHFFFAOYSA-N 239.265 2.969 30 20 BFED C=C(C)C(C)(C)C(=O)Nc1cc(C)nc(C)n1 637737376 DBMGOPMBQYXNEQ-UHFFFAOYSA-N 233.315 2.634 30 20 BFED C=CC[C@H]1CCCC[C@H]1NCC1(O)CCC1 657877258 AWDBKXMAHBUSSB-QWHCGFSZSA-N 223.360 2.626 30 20 BFED C=CCC[C@@H](CC)NC[C@@H](CO)CC1CC1 658249565 TWMOREPIYDZPRG-UONOGXRCSA-N 225.376 2.729 30 20 BFED C=CCN(Cc1ncc(C)o1)C(C)(C)C 661756491 QPJVVYKJLSMBSI-UHFFFAOYSA-N 208.305 2.770 30 20 BFED O=C(NO)c1ccccc1OC1CCCCC1 671995876 OCWXBCGUOVWBFA-UHFFFAOYSA-N 235.283 2.517 30 20 BFED C[C@@H](CC#N)N(C)C(=O)OC1CCCCC1 704329522 NGHBWWFYTNYEIB-JTQLQIEISA-N 224.304 2.690 30 20 BFED C#CCN(C(=O)/C=C/c1cccc(F)c1)C(C)C 708491615 IRJDKLOJZKQOKV-CMDGGOBGSA-N 245.297 2.709 30 20 BFED C=C(C)CN(C)c1ncnc(Cl)c1CC 720129926 VQLIPQKSAUOTEQ-UHFFFAOYSA-N 225.723 2.705 30 20 BFED CC[C@H](Cc1ccccc1)C(=O)O[C@H](C)C#N 732854448 NSCXTQLKHBZIEQ-DGCLKSJQSA-N 231.295 2.711 30 20 BFED C=CCCCC(=O)N(CCC#N)CC(C)C 748532651 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30 20 BFED C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C#N)C2)CC[C@H]1C 928216107 FSWCKTXBZOPMDP-RQJABVFESA-N 248.370 2.821 30 20 BFED C=CCC(CC=C)C(=O)N1CCC[C@@H](C#N)C1 928222801 YYEAKYGSQFXROO-LBPRGKRZSA-N 232.327 2.517 30 20 BFED CCCN(CCO)CCCCC1(C#N)CCC1 929273101 MSNWOYTZCNWSTI-UHFFFAOYSA-N 238.375 2.555 30 20 BFED C=C[C@H](COC)NC/C(C)=C\c1ccccc1 1256602903 CPILKWMQFHFGKE-VSKPTYQZSA-N 231.339 2.881 30 20 BFED N#Cc1cc(C(=O)NC23CCC(CC2)C3)cs1 1261262242 REISWBYYKHERRZ-UHFFFAOYSA-N 246.335 2.682 30 20 BFED C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1CCC 1262647179 XDRNVJZJMTZPIS-OLZOCXBDSA-N 239.359 2.759 30 20 BFED CN(CCC(F)(F)F)CC(F)(F)C(F)F 1318814292 PDTPZXLCABCCOI-UHFFFAOYSA-N 241.150 2.771 30 20 BFED CC[C@@](C)(C#N)c1nnc(C2CCC2)o1 1329325868 MELIWCLNLKUQCO-NSHDSACASA-N 205.261 2.528 30 20 BFED C=CC[C@H](N[C@@H]1CCC[C@@H](C2CC2)C1)C(=O)O 1331931228 AMJKWASZSTUWRS-UPJWGTAASA-N 237.343 2.574 30 20 BFED C=C(CC)C(=O)Nc1ccccc1CN(C)C 1347373063 KFVCHHUFICFOLJ-UHFFFAOYSA-N 232.327 2.653 30 20 BFED 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BFED C[C@@H]1C[C@]1(NCC#N)c1ccc(Cl)cc1 335604154 SZGZDTVSMNXCEX-BXKDBHETSA-N 220.703 2.688 30 20 BFED C[C@@H](CC(C)(C)C)C(=O)N1CCC(C#N)CC1 335832485 AJIAPIGJWDWGGO-NSHDSACASA-N 236.359 2.821 30 20 BFED C[C@@H](C#N)CNc1cccc(Cl)c1C#N 336194496 ZMTPEHQEUSXNKB-QMMMGPOBSA-N 219.675 2.783 30 20 BFED C[C@H](Nc1cccc(C#N)c1)[C@H]1CCCOC1 336415601 XRXTYMASJJZQQZ-AAEUAGOBSA-N 230.311 2.785 30 20 BFED C=C(C)CN(C)C(=O)c1cc(F)ccc1C 336537162 UZCUOCCWJWWUIO-UHFFFAOYSA-N 221.275 2.782 30 20 BFED COC(C)(C)C(=O)CSc1cccc(C#N)c1 338409303 OKRAUVJRNODAQM-UHFFFAOYSA-N 249.335 2.644 30 20 BFED CSC[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 339211166 COVSZWIOUQPMSL-XQQFMLRXSA-N 238.400 2.754 30 20 BFED N#C[C@H]1CC[C@@H](NCCCCCN2CCCC2)C1 340477948 OTRZHEXPUNLIAV-LSDHHAIUSA-N 249.402 2.534 30 20 BFED C=CCCN(C)C(=O)[C@@H]1CC12CCCC2 342506378 JBLUSIBRQVKXJH-NSHDSACASA-N 207.317 2.601 30 20 BFED C=CCn1cccc1-c1nc([C@H]2CCCO2)no1 346830055 KJHIHYYHABLQLP-LLVKDONJSA-N 245.282 2.576 30 20 BFED C=CC1CCN(c2cc(C)ccn2)CC1 347743339 SNRUNZSSBISZHG-UHFFFAOYSA-N 202.301 2.792 30 20 BFED C=CCn1c(C(C)C)nnc1N1CCC[C@H]1CC 350794455 MBEWRYZGICTFMK-GFCCVEGCSA-N 248.374 2.966 30 20 BFED C=CCCc1nc(-c2ccccc2F)no1 355797214 PYRVEGMKRLZYJQ-UHFFFAOYSA-N 218.231 2.994 30 20 BFED C=C(C)[C@@H](CC(=O)NC1(C(C)C)CC1)OCC 357190229 PKYVZYJFAUMYJN-GFCCVEGCSA-N 239.359 2.663 30 20 BFED C=C[C@H](C)NC1CCN(C2CCCCC2)CC1 358317032 JURDALDXSSASAF-ZDUSSCGKSA-N 236.403 2.948 30 20 BFED C=CCCC(=O)N[C@H](C)c1ccncc1CC 358730936 LEVUPIWDAVJLRF-LLVKDONJSA-N 232.327 2.787 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCC(C)(C)C1 359037512 FPNIJPDDXMOCAC-RYUDHWBXSA-N 236.359 2.821 30 20 BFED Cc1cc(=NCC(C)(C)C#N)c2ccccc2[nH]1 359075605 HUKBTJBVSOYFCY-UHFFFAOYSA-N 239.322 2.927 30 20 BFED C=C[C@H](C)NC(=O)[C@H](C)c1cccc(C)c1 362598260 CYFZSKZTOQRKFF-NWDGAFQWSA-N 217.312 2.789 30 20 BFED C=CCC1(C(=O)N2CC[C@@H](C3CC3)C2)CCC1 365085450 LRVNSSMZSPWUSJ-CYBMUJFWSA-N 233.355 2.991 30 20 BFED C#C[C@H](CCC)NC(=O)c1csc(Cl)c1 379002356 YYHLHOPMOBLQOM-SECBINFHSA-N 241.743 2.933 30 20 BFED C#C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)C(C)C 379604644 HMVNXXKIMWRHNH-LLVKDONJSA-N 236.246 2.804 30 20 BFED C=C(CC)COC(=O)c1cccc(N)c1C 381571767 WDOKXXVYXHXZSQ-UHFFFAOYSA-N 219.284 2.700 30 20 BFED C#C[C@](C)(CC)NCc1ccc(C#N)s1 384140703 DETNEAWNJMCDIK-GFCCVEGCSA-N 218.325 2.511 30 20 BFED C=CCCCCC[C@H](C)NCCN(C)C 389964691 WZVWTHBYEMGXRI-ZDUSSCGKSA-N 212.381 2.663 30 20 BFED C=CC[C@H](CC)Nc1nc(C)ccc1C(=O)O 393787357 QIYOJIHMXQGFBW-JTQLQIEISA-N 234.299 2.855 30 20 BFED C[C@@H]1CN(c2ncc3c(c2C#N)CCC3)C[C@H]1C 425235124 ORTWDANNAWVRLT-GHMZBOCLSA-N 241.338 2.534 30 20 BFED CCCc1nc(C)c(CN(C)CC(C)(C)C#N)o1 433307327 UNEFPFLHCYTALP-UHFFFAOYSA-N 249.358 2.917 30 20 BFED C=CC[C@@H](C)[C@H](C)NC1C[C@@H]2CC[C@H](C1)N2C 449561237 SPIQVAWRLYKCBU-WQGXVZNYSA-N 236.403 2.802 30 20 BFED CCC[C@@H](NC(=O)c1cc(C#N)c[nH]1)C(C)(C)C 452656441 AILMOKGFTFCYEP-GFCCVEGCSA-N 247.342 2.831 30 20 BFED C=CCC1(CNC(=O)c2cc[nH]c2)CCCC1 456487351 OWAMIWZZHHRWOQ-UHFFFAOYSA-N 232.327 2.881 30 20 BFED C=C(C)CNC(=O)c1ccc(C(F)F)cc1 490030319 GXWUMEGKSOGVEJ-UHFFFAOYSA-N 225.238 2.930 30 20 BFED C#CCN(C(=O)C=C(C)C)C1CCCCC1 490574935 GQXOKXGMRQCAKD-UHFFFAOYSA-N 219.328 2.747 30 20 BFED C#CCN(C(=O)CC(C)C)C1CCCCC1 490590880 XVIVBVXOIBGJJH-UHFFFAOYSA-N 221.344 2.827 30 20 BFED C#CCN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 491732358 LLLOEQGJUSMQTP-AOOOYVTPSA-N 219.250 2.673 30 20 BFED CC#CCCNC(=O)/C=C/SCc1ccco1 492391349 AOZVRTLXDUPEOF-JXMROGBWSA-N 249.335 2.556 30 20 BFED CC(C)(O)CCSCCCSCC#N 514738493 GSCKCZUGOXFEHK-UHFFFAOYSA-N 233.402 2.527 30 20 BFED Cc1ncccc1CN[C@H]1CCC[C@@H](C#N)C1 527989124 WQVYQXMWKNFDQY-OCCSQVGLSA-N 229.327 2.562 30 20 BFED C=C(CC)CN1CCC(CCOC)CC1 528577300 MMJKVTCXMDBAAO-UHFFFAOYSA-N 211.349 2.701 30 20 BFED C=CC(C)(C)C(=O)N1CCC(F)(F)C[C@@H]1C 530008841 DYCGYKKYMNWOJJ-VIFPVBQESA-N 231.286 2.845 30 20 BFED Cc1ccc2c(c1)[C@H](N[C@H]1CC[C@@H](C#N)C1)CO2 559784260 WOPIZJZNDFHNAB-MBNYWOFBSA-N 242.322 2.710 30 20 BFED C=CCCCCN1CCCC[C@H]1[C@@H](C)O 562529942 XIDPEUDIHKNYEW-OLZOCXBDSA-N 211.349 2.578 30 20 BFED Cc1cc(C#N)cc(NC(=O)[C@@]23CCC[C@H]2C3)c1 567613416 IXTAQMNFEOPBBE-SWLSCSKDSA-N 240.306 2.995 30 20 BFED C=CCCCCCn1cccc(F)c1=O 571164877 GZXXIZSZPHVLLV-UHFFFAOYSA-N 209.264 2.734 30 20 BFED CC(C)(C)[C@@H]1CCCN(c2ccnc(C#N)n2)C1 571940199 UWTQCIHHACBBOB-LLVKDONJSA-N 244.342 2.611 30 20 BFED C[C@@H]1C[C@]1(C#N)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 576225719 NWKDXWKXSFPNMZ-ZHZXCYKASA-N 246.354 2.621 30 20 BFED C=C(CC)CNC(=O)CC1CCSCC1 584216151 YCXANAQHQFEZGP-UHFFFAOYSA-N 227.373 2.602 30 20 BFED Cc1oc(C)c(C(=O)N[C@@H](C#N)C(C)(C)C)c1C 585700212 AFWUGPAFHNERFL-NSHDSACASA-N 248.326 2.873 30 20 BFED N#Cc1ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)cc1 590618269 FVMSSQBUFRWWTI-MBNYWOFBSA-N 240.306 2.933 30 20 BFED CCC[C@H](C)NC(=O)[C@@]1(C#N)CC12CCCC2 590619930 VMIVOJVFVVPXGC-FZMZJTMJSA-N 234.343 2.765 30 20 BFED C[C@@H](O)[C@@H](C)SCCc1ccc(C#N)cc1 594890068 OYZUIAIGNDYYOY-GHMZBOCLSA-N 235.352 2.603 30 20 BFED N#Cc1ccc(F)cc1CN1CC[C@@H]2C[C@H]2C1 595809503 RVHQRRJAIFEGGA-PWSUYJOCSA-N 230.286 2.539 30 20 BFED Cc1ccc(C#N)nc1N1CC[C@H](C)[C@@H](C)C1 596177734 OMVVTHAVUWOUGI-JQWIXIFHSA-N 229.327 2.744 30 20 BFED N#Cc1cc(F)ccc1N1CC[C@H]2C[C@H]2C1 596513171 ZXXMYESTYRICEM-ONGXEEELSA-N 216.259 2.544 30 20 BFED CCN(C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)[C@@H](C)C#N 598347630 WTCCQZAPGOPQPM-ZDEQEGDKSA-N 234.343 2.573 30 20 BFED CCN(C(=O)c1cc(C)c(F)c(C)c1)[C@H](C)C#N 598357014 COMUBOCOOLWVAX-LLVKDONJSA-N 248.301 2.817 30 20 BFED C[C@H](CCC#N)CN(C)Cc1cccc(O)c1 602430159 ITLDZJXDUATRDW-GFCCVEGCSA-N 232.327 2.764 30 20 BFED CCOc1ncccc1CNC[C@H](C)CCC#N 602594689 ZUZSCXURCFQING-GFCCVEGCSA-N 247.342 2.510 30 20 BFED C[C@H](CCC#N)CN1CCC(C)(C#N)CC1 602606957 PSDJOJMLCZCZOF-GFCCVEGCSA-N 219.332 2.552 30 20 BFED C=C(CC)CNCc1cc(C(=O)OC)cs1 602681014 HQVXUMIQEWATHA-UHFFFAOYSA-N 239.340 2.591 30 20 BFED C=CCCSCCNC[C@@](C)(CC)OC 602711249 QLJJIBXKUQNMKD-GFCCVEGCSA-N 231.405 2.700 30 20 BFED Cc1ccc(SCC2(C#N)CCC2)nn1 603316422 HRBKAQQADPRSBU-UHFFFAOYSA-N 219.313 2.571 30 20 BFED CSc1ccc(CN[C@@H]2CC[C@H](C#N)C2)o1 603430497 AYBFOFUOKZTUOA-VHSXEESVSA-N 236.340 2.783 30 20 BFED CC(C)C[C@@H](C#N)NC(=O)[C@H](C)C1CCCC1 610521125 FUOSWKRNARLYSD-YPMHNXCESA-N 236.359 2.867 30 20 BFED Cc1cscc1C(=O)N[C@@H](C#N)CC(C)C 610521150 ONZWDTKVNVGLCH-SNVBAGLBSA-N 236.340 2.725 30 20 BFED C=C(C)CNC(=O)C1CCC2(CC1)CC2 613666046 WNVAULNCZBWDLB-UHFFFAOYSA-N 207.317 2.649 30 20 BFED N#C[C@]1(F)CCN(CCCCC(F)(F)F)C1 615636242 XRPYAPCZQPLUBE-SECBINFHSA-N 238.228 2.657 30 20 BFED C=C(C)CCNC(=O)[C@@H]1CCc2cc(F)ccc21 615827002 NBJYUEBDDIIXJU-CQSZACIVSA-N 247.313 2.938 30 20 BFED CCc1ccccc1CCN1CC[C@@](F)(C#N)C1 618308124 SYLLFHONEKMODF-OAHLLOKOSA-N 246.329 2.729 30 20 BFED C=CCN(C(=O)C1CCCC1)C(C)(C)C 622942390 JELFNIBYMSQOOI-UHFFFAOYSA-N 209.333 2.990 30 20 BFED C=CCCCCNC(=O)c1conc1C(C)C 626490696 XWUCXZZKNJRSAE-UHFFFAOYSA-N 236.315 2.884 30 20 BFED C=C[C@@H](C(=O)O)N(C)C[C@@H](C)C1CCCCC1 629372245 ZNANVFGYCNBKAW-YPMHNXCESA-N 239.359 2.774 30 20 BFED C=CCC[C@H](CCC)NC[C@@H]1CCCCN1 643501226 AQKKOTGNXHFWIK-KBPBESRZSA-N 224.392 2.853 30 20 BFED C=CCCCC(=O)N1C[C@@H](C)OC2(CCC2)C1 648639130 ZIUCNVCXMKBBAX-GFCCVEGCSA-N 237.343 2.513 30 20 BFED C=CCOCCNCc1cccc(CC)c1 651757877 GNLQBSFEARNNPD-UHFFFAOYSA-N 219.328 2.541 30 20 BFED C=CC[C@H]1CCCN(CCCCCC(=O)O)C1 656759464 GWROHZCBNUAFDM-ZDUSSCGKSA-N 239.359 2.920 30 20 BFED C=CC[C@H]1CCCN(c2ncc(C)c(C)n2)C1 664253915 RMIUIFVCBWANKJ-ZDUSSCGKSA-N 231.343 2.886 30 20 BFED COCC#CCSc1cccc(C)c1 677132640 KUMDUOZKECOEGL-UHFFFAOYSA-N 206.310 2.737 30 20 BFED C=CCN(C(=O)N[C@H](C)C1CCC1)C1CC1 678552774 ATHOCJMFOFZXNO-SNVBAGLBSA-N 222.332 2.535 30 20 BFED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1C#N 702353474 BRPBGQKFMMTONH-XCBNKYQSSA-N 234.686 2.806 30 20 BFED Cc1cccc2c1CCC2=NNc1ncccn1 729142777 ZSMRSXMBEFOIDF-UHFFFAOYSA-N 238.294 2.547 30 20 BFED C=C(Cl)COC(=O)CO[C@H]1CCCC[C@H]1C 733567760 HNRUJQIPSJALLX-KOLCDFICSA-N 246.734 2.877 30 20 BFED C=CCNC(=S)NCc1coc2ccccc12 733905351 RWMUMTBFXKPLIC-UHFFFAOYSA-N 246.335 2.583 30 20 BFED C=C(Cl)CN(Cc1ccccc1)C[C@H](C)O 741389778 VDCWFUHTPYDCNC-LBPRGKRZSA-N 239.746 2.622 30 20 BFED C=C(C)CCOC(=O)c1ccc(OC)c(F)c1 744304243 HCZJCWMWKGHGCI-UHFFFAOYSA-N 238.258 2.957 30 20 BFED C#CCN(CCc1ccc(OC)cc1)C(C)C 746166347 VPWJRSIPGWXADO-UHFFFAOYSA-N 231.339 2.581 30 20 BFED CC(C)=NNc1oc(C(C)(C)C)nc1C#N 746498247 LBJNFFMLZJQDJL-UHFFFAOYSA-N 220.276 2.651 30 20 BFED CCON=Cc1cccc(OC(F)F)c1 747047319 VSRBWQAGLLSIMZ-UHFFFAOYSA-N 215.199 2.658 30 20 BFED Fc1ccc(/C=C/C=NNc2cccnn2)cc1 747749996 DAZUFCRCXSMVHB-VLOLNGOMSA-N 242.257 2.727 30 20 BFED C[C@@H]1CC(=NNc2cnccn2)C[C@H](C)C1 747751163 IEGXKBHJYVEPCP-AOOOYVTPSA-N 218.304 2.701 30 20 BFED C=CCCCC(=O)NCc1cc(C)ccc1OC 748299815 SNBFLMLSPKDDID-UHFFFAOYSA-N 247.338 2.976 30 20 BFED CC(C)CC[C@H]1CCCC1=NN[C@@H](C)CO 749815028 FBEBMKRPMDBQOY-NWDGAFQWSA-N 226.364 2.549 30 20 BFED Cn1ccc(C=NNc2ccccc2F)c1 749858290 IHEPFCBHGVNEGN-UHFFFAOYSA-N 217.247 2.610 30 20 BFED Cc1ccc(O)c(C=NNc2ccccn2)c1 755519359 JZOJMBXXIYMQPK-UHFFFAOYSA-N 227.267 2.542 30 20 BFED Fc1ccccc1NN=CC1CCOCC1 755629255 QCULXAKCJVUWRA-UHFFFAOYSA-N 222.263 2.650 30 20 BFED C=CCNC(=S)N1CC(C)(C)c2ccccc21 757540317 RAJWPZALMMMXLA-UHFFFAOYSA-N 246.379 2.845 30 20 BFED CC#CCCOC(=O)CO[C@H]1CCCC[C@@H]1C 760296717 ZXHGOBXUFQMQHY-STQMWFEESA-N 238.327 2.538 30 20 BFED CC(C)=C(C)C(=O)N1CCCC(C)(C)[C@H]1C#N 765165922 USMIPCIEEQUIBE-GFCCVEGCSA-N 234.343 2.883 30 20 BFED CCCCCCCCNC(=O)[C@H](O)C(C)(C)C 765217527 VATASQZGVUIURC-LBPRGKRZSA-N 243.391 2.870 30 20 BFED C=C(CC)COC(=O)c1ccc(OC)c(F)c1 773451658 DTADRTNBHOIHCI-UHFFFAOYSA-N 238.258 2.957 30 20 BFED CC(C)[C@H]1CCCC1=NOC1CCOCC1 774452508 YVIIEGSFSWOXHX-GFCCVEGCSA-N 225.332 2.994 30 20 BFED CCC(CC)CNN=C(C)c1cccnc1 774461502 HYBUSXSQFQAGHZ-UHFFFAOYSA-N 219.332 2.831 30 20 BFED C#CCC(C)(C)C(=O)N1CCC[C@@H](C(C)C)C1 781791645 SUCJCMARKKCNGE-CYBMUJFWSA-N 235.371 2.931 30 20 BFED C=CCNC(=S)N1CCCC2(CCCC2)C1 782209845 BBVGCKWDSKBMEY-UHFFFAOYSA-N 238.400 2.703 30 20 BFED CCCCCCCOC(=O)/C=C\COC 786594673 RISOCWLSYBBHHA-HJWRWDBZSA-N 214.305 2.703 30 20 BFED CC[C@H](C)CON=CCC(C)(C)OC 793164672 WSTKRXGGTNKXCV-JTQLQIEISA-N 201.310 2.850 30 20 BFED COCC(=NOCCSC)C1CCCC1 794572191 BRWLEAFKEJIKCG-UHFFFAOYSA-N 231.361 2.559 30 20 BFED C[C@@H]1CSCC1=NNCCCc1ccccc1 794910295 VTPAXZKGLNAMNG-GFCCVEGCSA-N 248.395 2.948 30 20 BFED COCCN(C)N=C(C)c1cc(C)ccc1C 794975257 VUEHMVNRVSMILX-UHFFFAOYSA-N 234.343 2.606 30 20 BFED C=CCCN(C[C@H]1C[C@H]2CC[C@H]1C2)OC 795202563 ZIHRMWUKDNGBCN-RWMBFGLXSA-N 209.333 2.862 30 20 BFED C[C@H](C#N)OC(=O)c1cccc(C(F)(F)F)c1 798119952 SFBLSMUODWNOQO-SSDOTTSWSA-N 243.184 2.774 30 20 BFED CC(C)C[C@@H](C)C=NOC[C@@H]1CCOC1 799113049 GNNBOWZBOZBFQX-VXGBXAGGSA-N 213.321 2.708 30 20 BFED C#C[C@H](NC(=O)C=C(CC)CC)C(C)(C)C 807883264 JUKXDXAOHLUFRU-LBPRGKRZSA-N 221.344 2.897 30 20 BFED C#C[C@H](N[C@H](C)[C@@H](C)CCCC)[C@@H]1CCCO1 808715015 ROFYKIUDXDXJLC-XGUBFFRZSA-N 237.387 2.972 30 20 BFED C#C[C@H](NCc1nccc2ccccc12)C(C)C 809685767 PZNNEYWZTRKZLM-HNNXBMFYSA-N 238.334 2.982 30 20 BFED C=CCCCCCCCNC(=O)c1cnc[nH]1 811590911 RKISXEDFYOWHAP-UHFFFAOYSA-N 235.331 2.666 30 20 BFED CC[C@@H](O)CNN=C(C)[C@H](C)c1ccccc1 811656739 UREZKBACZAJQSU-SMDDNHRTSA-N 234.343 2.527 30 20 BFED COc1cc(C)c(C=NOC2CCC2)cc1OC 812235197 OXBLKUJKMAXCCG-UHFFFAOYSA-N 249.310 2.915 30 20 BFED CC(=NN[C@H](C)c1ccccc1)c1c[nH]nc1C 814814812 AQAMKYWZEXXCJO-SNVBAGLBSA-N 242.326 2.793 30 20 BFED CCc1cnc(C=NOCCC2CC2)s1 814941477 ZOQYMFDKXPPMFZ-UHFFFAOYSA-N 224.329 2.856 30 20 BFED C#C[C@H](C)NC(=O)N1CCCC[C@H]1[C@@H](C)CC 820436576 YIDSLSBEXHHXEF-AVGNSLFASA-N 236.359 2.618 30 20 BFED C#C[C@H](NC(=O)N(C)[C@H](C)CC)c1ccccc1 820606003 RTJCOUASLJSQNR-OCCSQVGLSA-N 244.338 2.801 30 20 BFED C[C@@H]1CCC[C@@H]1NC(=O)c1cc(C#N)ccc1F 826571942 MDEQSTNNMAYFRF-RNCFNFMXSA-N 246.285 2.616 30 20 BFED CC[C@H](CC#N)NC(=O)c1ccc(CF)cc1 832207880 WHXABOHHSFRGGQ-GFCCVEGCSA-N 234.274 2.578 30 20 BFED COc1cc(C)c(NC(=O)C#CC(C)C)cc1F 832374772 KXTIBNVAYZEMAH-UHFFFAOYSA-N 249.285 2.741 30 20 BFED CCC(=NN[C@@H]1C[C@H]2CC[C@H]1C2)c1ccncc1 834968663 NOAQBTLAPOXXQG-CORIIIEPSA-N 243.354 2.974 30 20 BFED CCC(=NOC/C=C\Cl)c1ccncc1 834980105 VFCJAZKROSGSDQ-SDPFWNIPSA-N 224.691 2.965 30 20 BFED CC(C)(C#N)[C@@H]1CCCC1=NNc1ccncn1 835001152 KBRIMYQPEMKVHY-SNVBAGLBSA-N 243.314 2.594 30 20 BFED C#C[C@H](OC(=O)[C@H](CC)CC(F)(F)F)C1CC1 835251134 ADFCHIBDXAIIBB-SCZZXKLOSA-N 248.244 2.920 30 20 BFED C#C[C@H](CC)OC(=O)[C@@H]1CCC[C@@H]1CC 835311236 ODMMCPOEDNIEKN-QJPTWQEYSA-N 208.301 2.768 30 20 BFED C=CC(C)(C)COC(=O)CCCC#CC 835723124 OAWIEIHPTPBWRI-UHFFFAOYSA-N 208.301 2.935 30 20 BFED C#CCNC(=O)Nc1ccc(CSCC)cc1 836743364 BYMCRMDLOGMNEO-UHFFFAOYSA-N 248.351 2.694 30 20 BFED C[C@@H](NN=C1COC(C)(C)C1)C(C)(C)C 841642578 WLKACKJFXRKVEV-SECBINFHSA-N 212.337 2.566 30 20 BFED CNC(=S)N(C)N=C1CCCCCCC1 841648268 ALTNZNUFJNZJJU-UHFFFAOYSA-N 227.377 2.523 30 20 BFED C=CCCOc1cccc(OCC#N)c1 842108671 PPWVPRFVYKZNNY-UHFFFAOYSA-N 203.241 2.544 30 20 BFED CC(=NNCC(F)F)[C@@H]1C[C@H]2C=C[C@H]1CC2 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30 20 BFED C=CCCC(=O)N1CCOc2ccccc2[C@@H]1C 621142719 CWRZJVHTGYTXHG-LBPRGKRZSA-N 245.322 2.935 30 20 BFED C=C(C)CSc1ncc2c(n1)CCCC2=O 629198262 WJTHAKZVGKAOFG-UHFFFAOYSA-N 234.324 2.664 30 20 BFED C=C(C)c1cnn(Cc2nccn2C(F)F)c1 629730537 ZQNMVFWYUGPAFU-UHFFFAOYSA-N 238.241 2.556 30 20 BFED C=CC(C)(C)CNC(=O)c1coc(SC)c1 633306190 HVFDTUGOMHIPOY-UHFFFAOYSA-N 239.340 2.944 30 20 BFED Fc1ccc(C#CCN2O[C@H]3C=C[C@H]2CC3)cc1 640233134 JODZFGABIDVSTE-GJZGRUSLSA-N 243.281 2.512 30 20 BFED C=CCC(C)(C)C(=O)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 645790417 RMWIGZLFXQSMHM-BJDJZHNGSA-N 233.355 2.749 30 20 BFED C=CCN(CC=C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 649571419 JTJWHHHAMOBKPU-HZSPNIEDSA-N 231.339 2.789 30 20 BFED C=CC[C@@H]1CCCN(c2nccnc2NCC)C1 664254007 AVGIPHMUQOICEA-GFCCVEGCSA-N 246.358 2.701 30 20 BFED C=CCN1Cc2ccccc2C(F)(F)C1 676707146 KKAWMLNQDWVAGX-UHFFFAOYSA-N 209.239 2.780 30 20 BFED C[C@H](CC#N)N(C)C(=O)/C=C/c1ccccc1F 706344635 SRZMPRKFVSRYQB-WSKFYRRCSA-N 246.285 2.599 30 20 BFED 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30 20 BFED C=C[C@@](C)(O)CC(=O)NC[C@H](CC)CCCC 346139313 QRLDAIVOPURZRH-TZMCWYRMSA-N 241.375 2.646 30 20 BFED C=CCOCCCN1CC[C@H]1Cc1ccccc1 348050711 LEJGSRRHXNCVTB-INIZCTEOSA-N 245.366 2.896 30 20 BFED CCN(CC#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 350079526 MUHITSFOSUZQRK-HZSPNIEDSA-N 248.370 2.965 30 20 BFED C=CCn1c(CCCC)nnc1N(C)C1CCC1 351076206 RVZMGGBNJCWRTM-UHFFFAOYSA-N 248.374 2.795 30 20 BFED Cc1cc(O)nc(/C=C\c2cc(C#N)cs2)n1 352025011 BQNIDDJNBVNFNJ-IHWYPQMZSA-N 243.291 2.594 30 20 BFED C=C(C)CN(C)C(=O)COC1CCC(C)CC1 356636741 VKLANLWHMHIMBL-UHFFFAOYSA-N 239.359 2.616 30 20 BFED C=C(CC)COc1cccc(C(=O)NC2CC2)c1 358647780 FDXCDKQRXDDAEN-UHFFFAOYSA-N 245.322 2.924 30 20 BFED C=CCN(CC=C)c1nnc([C@@H](C)CC)n1CC 358666705 UWVRBMYGWJKZRH-LBPRGKRZSA-N 248.374 2.990 30 20 BFED N#Cc1ccccc1CN1CCC2(CC1)CC2 371341813 RKVCBUZXMZODPD-UHFFFAOYSA-N 226.323 2.934 30 20 BFED C#C[C@H](C)N[C@@H](C)[C@@H]1CC2CCC1CC2 381900431 MKPQQTHYESOTDC-LFSIAQGGSA-N 205.345 2.813 30 20 BFED N#Cc1nccc(N2CCC[C@H]2C2CCCC2)n1 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2.819 30 20 BFED CCC#CCOC(=O)c1cc(C)ccc1F 893838401 MNRFNMUKMVYMLT-UHFFFAOYSA-N 220.243 2.704 30 20 BFED N#Cc1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c(CO)c1 894167552 JYZZRJXPLCZWNZ-OSAQELSMSA-N 242.322 2.651 30 20 BFED C=CC[C@H](C)[C@@H](C)NCc1ccc(CCO)cc1 898170699 JXNSFTDRVKEREO-UONOGXRCSA-N 247.382 2.912 30 20 BFED C=C1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1 898701768 WYHNFWFPBRGTKE-LSDHHAIUSA-N 241.334 2.751 30 20 BFED Cc1cc(C=NN2CCCC[C@H]2C)cnc1F 901261417 HLWQQMZLBCDJSJ-LLVKDONJSA-N 235.306 2.737 30 20 BFED CC(CC(C)(C)C)=NN[C@@H]1CCCC[C@H]1O 901333730 AUFCPINWTXJOJN-VXGBXAGGSA-N 226.364 2.692 30 20 BFED COC1([C@@H](C)NCC2(C#N)CC2)CCCCC1 903106744 UUXGEGHACIBTQK-GFCCVEGCSA-N 236.359 2.618 30 20 BFED CCCCN(O)C(=O)[C@H](C)C(C)(C)C 904209921 ADQUIVJMRCWCMW-VIFPVBQESA-N 201.310 2.687 30 20 BFED CON=C(C)c1[nH]c(-c2ccccc2)nc1C 915111455 IRBYACMKXCUIPM-UHFFFAOYSA-N 229.283 2.756 30 20 BFED CCCCOC(=O)CSc1ccc(C#N)cc1 916671356 DTILCUVCOIJQDK-UHFFFAOYSA-N 249.335 2.994 30 20 BFED C=CC[C@@H](CC)N[C@@H](C)c1cc(OC)no1 926352316 VZTNHOVZTPFSNO-VHSXEESVSA-N 224.304 2.689 30 20 BFED CC(C)c1ccc(NC(=O)C(C)(C)C#N)cn1 928622162 VROGJDOGYXQQNB-UHFFFAOYSA-N 231.299 2.693 30 20 BFED C=C[C@@H](CC)CC(=O)N1CCn2cccc2[C@@H]1C 929903852 RNHBEMXDJQVZGB-STQMWFEESA-N 246.354 2.994 30 20 BFED N#C[C@H]1CCCN(Cc2ccc(CF)cc2)C1 932152882 KYHJDPCYLWUPTB-CQSZACIVSA-N 232.302 2.892 30 20 BFED C=C(C)[C@H](C)OC(=O)Cc1c[nH]c2cnccc12 1122731982 SFIJDDJECPFBJH-JTQLQIEISA-N 244.294 2.613 30 20 BFED C=CCCCCNc1cccc(C(N)=O)c1C 1325315265 MYJSKKKGHCQWLU-UHFFFAOYSA-N 232.327 2.862 30 20 BFED C=C(C)CCNC(=N)Nc1ccccc1C 1329225519 IXBGJVLCVSGFIR-UHFFFAOYSA-N 217.316 2.897 30 20 BFED C=C[C@@H](COC)N[C@@H](C)c1ccc(C)cc1OC 1338112324 LDUMGEGSTHVFMM-STQMWFEESA-N 249.354 2.855 30 20 BFED C#C[C@@H](C)OC(=O)C1(C2CCCCC2)CC1 1344738496 DHDBSYFNJZOQFQ-LLVKDONJSA-N 220.312 2.912 30 20 BFED C=C(CC(C)C)C(=O)Nc1c(C)nn(C)c1C 1346117245 XUOYYRWHPOVCRY-UHFFFAOYSA-N 235.331 2.578 30 20 BFED C=C(CC)C(=O)Nc1nnc(C(C)C)s1 1346209981 BZXRGCONEFUCCK-UHFFFAOYSA-N 225.317 2.566 30 20 BFED C#C[C@H](NC(=O)c1occ(C)c1C)C(C)(C)C 1346826163 SLFJVBQZXFUHSP-NSHDSACASA-N 233.311 2.674 30 20 BFED C=C(CC)C(=O)NC1(c2cccc(OC)c2)CC1 1347385012 RUPLWYHUJSNSEL-UHFFFAOYSA-N 245.322 2.767 30 20 BFED C=C(C)COC(=O)/C=C(\C)c1ccco1 1350084964 KLPGBCPPFGQSNT-JXMROGBWSA-N 206.241 2.802 30 20 BFED C=C(CC)C(=O)N[C@@H](c1ccncc1)C1CC1 1353173689 KQXQEFYMNFPMRC-CYBMUJFWSA-N 230.311 2.615 30 20 BFED CC1(C(=O)O[C@H]2CC[C@@H](C#N)C2)CC(F)(F)C1 1357713546 SKGAOGHCAFIJDC-BDAKNGLRSA-N 243.253 2.657 30 20 BFED CC(C)(C)[C@H](C#N)OC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 1358430648 PHFWNOOMUAJJHX-FQIARQCESA-N 247.338 2.760 30 20 BFED C#CC[C@H](C)OC(=O)CC[C@@H]1CC1(Cl)Cl 1516859116 IWUSUJHWMJASLR-DTWKUNHWSA-N 249.137 2.915 30 20 BFED C/C=C(\CC)C(=O)[C@@H](C#N)c1cccc(F)n1 1524727372 JLPMMKKDDACSSF-RZCNENHTSA-N 232.258 2.753 30 20 BFED N#Cc1ccc(OCC(=O)c2ccoc2)cc1F 1559373134 YZORUFDSUSWBOF-UHFFFAOYSA-N 245.209 2.552 30 20 BFED Cc1cncc(CNc2cc(C)c(C#N)cn2)c1 1650927386 JMEQVALFSKIDMV-UHFFFAOYSA-N 238.294 2.577 30 20 BFED N#Cc1ccc(COc2cccc(CO)c2)cc1 20031851 IFHQCEKZYGCYDS-UHFFFAOYSA-N 239.274 2.630 30 20 BFED Cc1ccc(C(=O)Nc2ccc(C#N)cn2)s1 51953035 VRMWNFDLJHECQI-UHFFFAOYSA-N 243.291 2.576 30 20 BFED CC[C@H](C)C(=O)N[C@H](C)c1cccc(C#N)c1 75266409 QFGJYIZSJFPLJC-WDEREUQCSA-N 230.311 2.782 30 20 BFED C[C@@H](NC(=O)C1(C#N)CCC1)C1CCCCC1 76503931 HAWAPPBDIJVFLM-LLVKDONJSA-N 234.343 2.765 30 20 BFED C=CCCNc1ccccc1-n1cccn1 77245151 YEERFDVBVRVTMB-UHFFFAOYSA-N 213.284 2.860 30 20 BFED CCc1nsc(NCc2cccc(C#N)c2)n1 87640735 HDJPDKPOSUIEDP-UHFFFAOYSA-N 244.323 2.584 30 20 BFED CCC(CC)CN(CCC#N)Cc1c[nH]nc1C 93101063 PILYDLZWXVHREM-UHFFFAOYSA-N 248.374 2.870 30 20 BFED CC[C@H](CC#N)NC(=O)C1(CC)CCCC1 94901776 WAFQJUKILMRIMJ-LLVKDONJSA-N 222.332 2.765 30 20 BFED C=CCCC(=O)N(C)CCOc1ccccc1C 102222251 IUYGYLMUWFZLLK-UHFFFAOYSA-N 247.338 2.798 30 20 BFED C=C(C)CN1CC[C@H](Nc2ccccc2)C1 103481056 XWVBFNALBKVYMJ-AWEZNQCLSA-N 216.328 2.749 30 20 BFED C=CCCCN(C[C@@H](C)O)c1ccccc1 117877080 RTBNUSXSDUGRFA-CYBMUJFWSA-N 219.328 2.840 30 20 BFED C=CCCS(=O)(=O)Oc1ccc(C)cc1C 119337661 OTUHIUYRWHRWAP-UHFFFAOYSA-N 240.324 2.588 30 20 BFED C=CC[C@H](C)NC(=O)c1ccccc1CC 121547909 SVJQBUDNJFNCFX-NSHDSACASA-N 217.312 2.943 30 20 BFED CC[C@@]1(C)C[C@@H]1C(=O)N(C)c1cccc(C#N)c1 124377402 QZHVAEAHWOBSEE-HIFRSBDPSA-N 242.322 2.957 30 20 BFED C[C@@H]1CCC[C@H](Nc2cnccc2C#N)C1 124999081 YGYUWLIHBUSEOL-PWSUYJOCSA-N 215.300 2.944 30 20 BFED C=C(C)CN(CC)C(=O)c1ccc(F)cc1O 125590776 FWMMMMVYCZHHNK-UHFFFAOYSA-N 237.274 2.570 30 20 BFED Cc1ccc(NCc2cc(C#N)cs2)cn1 128057972 YIWFOUCPWYGURC-UHFFFAOYSA-N 229.308 2.935 30 20 BFED CC[C@@H]1CCN(C(=O)Nc2cccc(C#N)c2)C1 129020039 CDVDQJNSBUOQQQ-LLVKDONJSA-N 243.310 2.822 30 20 BFED COc1ccc(C#N)cc1CN1C[C@@H](C)[C@@H](C)C1 130482792 GYIZCBWPMPPFTF-TXEJJXNPSA-N 244.338 2.655 30 20 BFED C=C[C@@](C)(CC)C(=O)N1CCC[C@H](C)C1 134904799 MSUBQRWJHWMWGJ-AAEUAGOBSA-N 209.333 2.847 30 20 BFED CN(CCC1CC1)Cc1ccc(F)cc1C#N 135300980 MGINQRINGOZCIY-UHFFFAOYSA-N 232.302 2.929 30 20 BFED CC[C@@](C)(C#N)C(=O)Nc1nc(C2CC2)cs1 136210128 CYEKQUQSXWNHHK-LBPRGKRZSA-N 249.339 2.899 30 20 BFED CC#CCCN(C)CCOc1ccccc1F 155058116 UIOKVINKYCDEDI-UHFFFAOYSA-N 235.302 2.550 30 20 BFED CC#CCCN1CC[C@@H](Cc2ccccc2)C1 155777361 YWOFXTRZKMEWIT-INIZCTEOSA-N 227.351 2.964 30 20 BFED CCCC[C@@H](CC)CC(=O)NC1(C#N)CC1 160947122 NKBACPYAUGGTNU-LLVKDONJSA-N 222.332 2.765 30 20 BFED C=CCCN[C@@H](C)CCc1ccc(O)cc1 168508304 VSOISAAQLKUJFU-LBPRGKRZSA-N 219.328 2.879 30 20 BFED Cc1ccc(C)c(CC(=O)OCCCC#N)c1 171200685 QGYTXQQXFAXYKQ-UHFFFAOYSA-N 231.295 2.693 30 20 BFED C=CCCCC(=O)N1CCS[C@H](CC)C1 176084049 UZAYSRQCXLOSBT-LLVKDONJSA-N 227.373 2.697 30 20 BFED C#CCC(C)(C)COC(=O)c1cc(C(C)C)[nH]n1 180354875 HSFIRBHKCLPBNP-UHFFFAOYSA-N 248.326 2.739 30 20 BFED C=CCSCCNc1ccc(C(C)=O)cn1 181001487 XMMJVZUHCWRDJX-UHFFFAOYSA-N 236.340 2.615 30 20 BFED C=CCCC[C@H](C)NC(=O)C1(C#N)CCCC1 182642939 ZGNCWAQOKZXZHU-LBPRGKRZSA-N 234.343 2.931 30 20 BFED C[C@H](C#N)CN[C@H](C)CSC(C)(C)C 183823903 HEQPPBHFUVNEHM-NXEZZACHSA-N 214.378 2.656 30 20 BFED CC#CCCCC(=O)N(CC)C1CCCC1 185233725 OTLYTEDZVCQBEC-UHFFFAOYSA-N 221.344 2.971 30 20 BFED N#C[C@H]1CCC[C@@H](NCc2ccccc2)C1 185710246 UAQGGQYXEXZILK-UONOGXRCSA-N 214.312 2.859 30 20 BFED C#CCN1CCC(c2ccsc2)CC1 186954415 IRWPEQAUDCVFBM-UHFFFAOYSA-N 205.326 2.561 30 20 BFED C=CCCOCCN[C@@H](C)c1csc(C)n1 222443053 YZJYXTVZUKMDOZ-JTQLQIEISA-N 240.372 2.695 30 20 BFED C#Cc1ccc(CN(C)Cc2ccncc2)cc1 225745031 FOSXKUSOEZLTLT-UHFFFAOYSA-N 236.318 2.695 30 20 BFED C#CCCCCNCc1ccncc1Cl 229683080 WPOXWUKDNPTWEN-UHFFFAOYSA-N 222.719 2.628 30 20 BFED Cc1ccnc(NCC[C@@H]2CCCCO2)c1C#N 230091886 FSQJPAFEKHNZCC-LBPRGKRZSA-N 245.326 2.633 30 20 BFED CC[C@](C)(C#N)C(=O)N1CCC(C(C)C)CC1 234082107 DHTOYOSGSFLPTA-CQSZACIVSA-N 236.359 2.821 30 20 BFED Cc1coc(SCC2(CC#N)CC2)n1 235932206 HFFNECOUTGILTI-UHFFFAOYSA-N 208.286 2.769 30 20 BFED C=CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 245694444 KEMZQUQPSAUKMB-RWMBFGLXSA-N 221.344 2.895 30 20 BFED N#Cc1ccsc1C(=O)O[C@@H]1C[C@H]2CC[C@H]1C2 250288280 NTYAGWKBXRQNKV-ATZCPNFKSA-N 247.319 2.965 30 20 BFED CC(C)(C)CNC(=O)/C=C\c1ccccc1C#N 255864860 GRNVSKAJYHSNQT-HJWRWDBZSA-N 242.322 2.734 30 20 BFED N#CCCN(CC1CC1)C(=O)c1cccc(F)c1 264061400 LWXLBOOBXZESPM-UHFFFAOYSA-N 246.285 2.592 30 20 BFED CO[C@]1(C)C[C@H](Nc2ccc(C#N)nc2)C1(C)C 267413117 RZYYSCXUACCTKW-GXTWGEPZSA-N 245.326 2.569 30 20 BFED C#CCN(CC)C(=O)C[C@H](C=C)c1ccccc1 270285519 NNFDCWLYYCDMOK-AWEZNQCLSA-N 241.334 2.828 30 20 BFED C=C(C)CCN1CCc2ccccc2[C@@H]1CO 274818468 XPIIETOSYGDSTL-HNNXBMFYSA-N 231.339 2.544 30 20 BFED C#C[C@H](C)NC(=O)Nc1ccccc1SC 276412821 FEDSCXOVUGKMBQ-VIFPVBQESA-N 234.324 2.552 30 20 BFED C#CCN(C)C(=O)Nc1ccc(C(C)C)cc1 278724978 VIHLCEOJDVAVBI-UHFFFAOYSA-N 230.311 2.907 30 20 BFED N#Cc1ccn(CCCC2CCOCC2)c1 279833502 REHKEAWVTGBCEJ-UHFFFAOYSA-N 218.300 2.567 30 20 BFED C=CC[C@H](CC)NC(=O)[C@](C)(C=C)CCOC 281069522 MMSVWUJMZVIJQX-GXTWGEPZSA-N 239.359 2.686 30 20 BFED C#C[C@@H](NC(=O)c1ccc(C)cc1F)C(C)C 282090750 NTMYVBGQMBWGTQ-CYBMUJFWSA-N 233.286 2.522 30 20 BFED CSCC(C)(C)C(=O)Nc1cccc(C#N)c1 282533022 LYGJDOOUQNNDRL-UHFFFAOYSA-N 248.351 2.886 30 20 BFED C[C@@H]1C[C@@H](CCNc2ccnc(C#N)c2)CCO1 287038885 WKCZUXBPDQDRFR-NEPJUHHUSA-N 245.326 2.570 30 20 BFED Cc1csc(NC(=O)C2CC=CC2)c1C#N 288873729 RAQPUIJNFGJZED-UHFFFAOYSA-N 232.308 2.833 30 20 BFED Cc1ccc(Cc2noc(C(C)(C)C#N)n2)s1 289043216 HEDNYLDJHLMHPP-UHFFFAOYSA-N 247.323 2.832 30 20 BFED C=CCn1c(C)nnc1N1CCCC[C@H]1CC 290116526 FVRHTMIUZAMCCZ-GFCCVEGCSA-N 234.347 2.541 30 20 BFED C=C[C@](C)(CC)C(=O)NCC1CC(F)(F)C1 293737828 VAKPPNKTTQMRJB-LLVKDONJSA-N 231.286 2.750 30 20 BFED C=CCCc1noc([C@@H](C)Oc2cccnc2)n1 297163863 DAINEFNWZPPQLJ-SNVBAGLBSA-N 245.282 2.723 30 20 BFED C=CCN(Cc1ccc(O)c(OCC)c1)C1CC1 297557733 GYFATBCIGNBXIA-UHFFFAOYSA-N 247.338 2.941 30 20 BFED C[C@H](NC[C@H]1CCO[C@H]1C)c1ccc(C#N)cc1 300601724 JZVDNZLKWDUCLP-SLEUVZQESA-N 244.338 2.634 30 20 BFED C=CCCC[C@H](C)Nc1ccc(C#N)nn1 301998818 IIWPAIPDGJZCPS-JTQLQIEISA-N 216.288 2.505 30 20 BFED C=C(Br)CNc1ncc(C)s1 302879671 HTXIMPSAIRLXTP-UHFFFAOYSA-N 233.134 2.772 30 20 BFED CC/N=C(/NCc1cccs1)NC(C)(C)C 303483191 RSWMIJQHABFUNF-UHFFFAOYSA-N 239.388 2.602 30 20 BFED CCC[C@H](CC(C)C)C(=O)N(C)[C@H](C)C#N 308095165 YWVWOQWOTVWNDP-VXGBXAGGSA-N 224.348 2.819 30 20 BFED Cc1nc(C#N)cc(NC[C@H]2CCC[C@H](C)C2)n1 308327340 HIGIGSQTVXQEQS-JQWIXIFHSA-N 244.342 2.895 30 20 BFED C=CCNc1ncnc2cc(F)c(F)cc12 309660278 XPLMAFBAHWTGCJ-UHFFFAOYSA-N 221.210 2.506 30 20 BFED C=CCC[C@H](CC)NCC1([S@](C)=O)CCC1 309723701 XAGYCGHTOXRYAR-LRDDRELGSA-N 243.416 2.622 30 20 BFED C[C@@H]1C[C@@H](C(O)=Nc2cccnc2)CCC1=O 329021393 MDPACVAUDSYPJH-ZJUUUORDSA-N 232.283 2.675 30 20 BFED O/C(=N/Cc1nnc(C2CC2)o1)C1CCCCC1 329762930 TWRMVUFDYAOCLD-UHFFFAOYSA-N 249.314 2.984 30 20 BFED C[C@H]1C[C@@]1(C#N)c1nc(C2CCCC2)no1 334529386 OOPYIBANCLOFOT-UFBFGSQYSA-N 217.272 2.528 30 20 BFED C[C@@H]1CC[C@@H](C)N(CC2(C#N)CCC2)C1 334646109 GNRDMRPMEFYOTO-VXGBXAGGSA-N 206.333 2.801 30 20 BFED C=C[C@@H]1CCCCN1C(=O)Nc1ccccn1 335291424 MAEILKQIIPYTNK-LLVKDONJSA-N 231.299 2.654 30 20 BFED CC1(C(=O)N[C@H](C#N)C(C)(C)C)CCCC1 336477396 KTYRWQCIOTXJID-SNVBAGLBSA-N 222.332 2.621 30 20 BFED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cncc(F)c1 339080657 FYKUPYGIWOVOQZ-KWBADKCTSA-N 233.290 2.564 30 20 BFED C=CCC[C@H](C)N[C@H](CO)Cc1ccccc1C 343451291 XTUQPPSYGASFJH-HOCLYGCPSA-N 247.382 2.843 30 20 BFED C=CCNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 348497535 UWNCRWNBIKUHRL-FRRDWIJNSA-N 221.344 2.895 30 20 BFED C=CCCN1CC2(CCC2)[C@H]1[C@H]1CCCO1 352439715 KWWMACPZTAXQER-CHWSQXEVSA-N 221.344 2.596 30 20 BFED C=C[C@H](C)NC(=O)[C@@H](C)Cc1ccccc1F 362586400 HGIQNLGKXLKTID-QWRGUYRKSA-N 235.302 2.695 30 20 BFED C=C[C@H]1CCCCN1c1cncc(SC)n1 362842998 NOVJJQXEAXPVCD-JTQLQIEISA-N 235.356 2.743 30 20 BFED C=CCCN1CCOc2ccc(F)cc2C1 365824150 YOHYRTOUOYXHFD-UHFFFAOYSA-N 221.275 2.596 30 20 BFED C=CC[C@H](CC)NC1CC(C(F)F)C1 379659994 OZEOEILYKAADNW-KYHHOPLUSA-N 203.276 2.974 30 20 BFED 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C=CCN(Cc1cnc(N(C)C)s1)C(C)C 1253981871 SRLWRKYXZCXNGX-UHFFFAOYSA-N 239.388 2.606 30 20 BFED C=CCN(C(=O)NC/C=C/C1CC1)C(C)C 1261297408 ZHQNQSSVWZXKBC-AATRIKPKSA-N 222.332 2.559 30 20 BFED CCC(=NNCC(C)C)c1ccc(C(=O)O)cc1 1319757805 CZDPSMLUCBSPNG-UHFFFAOYSA-N 248.326 2.745 30 20 BFED C#CCN(Cc1ncc(CC)s1)CC1CC1 1323786818 YTIHUALMBFSRQJ-UHFFFAOYSA-N 234.368 2.551 30 20 BFED C#Cc1cccnc1N1CCC(C)=C(C)C1 1327699061 MNGLNBHVGVVZBD-UHFFFAOYSA-N 212.296 2.609 30 20 BFED C#CCC(C)(C)C(=O)OCC/C=C\C=C 1331110590 GWPGHYHDTLZNAJ-FPLPWBNLSA-N 206.285 2.711 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)[C@@H]1CCC[C@H]1CC 1337581759 XGEORRKVORRKBV-FRRDWIJNSA-N 236.359 2.963 30 20 BFED C=C1CCN(c2ccc(CC)cn2)CC1 1337852080 UYJCZVKPTADRNQ-UHFFFAOYSA-N 202.301 2.800 30 20 BFED C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)CC)cc1 1338328560 QJNNLHNEZMFMEV-RYUDHWBXSA-N 229.323 2.832 30 20 BFED C=CC[C@H]1CCCN(C(=O)NCCC(F)F)C1 1341693529 LQNBNKRCYJSFSB-JTQLQIEISA-N 246.301 2.639 30 20 BFED C#CCN(CC1CC1)C(=O)[C@H](C)[C@@H](C)CC 1341997046 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2.945 30 20 BFED CC[C@H](NC(=O)[C@@H](C)C#N)C1CCCCC1 52343216 KZRFLAMGLARJHX-JQWIXIFHSA-N 222.332 2.621 30 20 BFED CC[C@@H](C)CNCc1ccc(OCC#N)cc1 54468156 VSDSWZYWOIMMHA-GFCCVEGCSA-N 232.327 2.725 30 20 BFED C[C@H]1CCCCN1C(=O)c1cccc(CC#N)c1 58242645 NPVGCFMEHLCHIJ-LBPRGKRZSA-N 242.322 2.767 30 20 BFED C=CCNC(=O)Nc1ccc(C)c(OCC)c1 67347037 WRHUTDNCMIDEME-UHFFFAOYSA-N 234.299 2.701 30 20 BFED Cc1cccc(C(=O)N2CCC(C#N)CC2)c1C 70217914 UKWFMLMFOLQZEF-UHFFFAOYSA-N 242.322 2.679 30 20 BFED C#CCCOC(=O)C[C@H](C)c1cccc(OC)c1 84693163 CHQVBLSBIDXZHK-LBPRGKRZSA-N 246.306 2.755 30 20 BFED C[C@H]1CCC[C@@H]1NCCOc1ccc(C#N)cc1 88735317 DUCODUOHPTWNQT-WFASDCNBSA-N 244.338 2.715 30 20 BFED Cc1cc2c(N(C)[C@H](C)CC#N)ncnc2s1 90102687 CLYWTOMHHHLQQJ-MRVPVSSYSA-N 246.339 2.738 30 20 BFED C=C(C)COCCN[C@H](C)c1ccccc1OC 90450721 BHCABNQGDQZFOH-CYBMUJFWSA-N 249.354 2.939 30 20 BFED C=C(C)COCCN[C@H](C)c1ccc(OC)cc1 90451380 UPQGAIHJAVLPCJ-CYBMUJFWSA-N 249.354 2.939 30 20 BFED C=CCCOCCN[C@@H](C)c1ccccc1OC 90883430 HWMXHVQZIUFENQ-ZDUSSCGKSA-N 249.354 2.939 30 20 BFED CCCN(CC#N)Cc1ccc(Cl)o1 92397938 LNUATMYSJFYCIO-UHFFFAOYSA-N 212.680 2.669 30 20 BFED N#Cc1cccc(C[S@](=O)C2CCCC2)c1 107948140 CYYLBRFGKWMZRC-MRXNPFEDSA-N 233.336 2.750 30 20 BFED C=CC[C@H](C)NC(=O)c1ccc(OCC)cc1 116856568 RMPFYJRFDNKDMS-NSHDSACASA-N 233.311 2.780 30 20 BFED C=CC[C@H](C)NC(=O)N[C@@H]1CCc2ccccc21 116938371 OZPDUSLWJWYDOZ-SMDDNHRTSA-N 244.338 2.938 30 20 BFED C=CCCC(=O)Nc1ccc(C(C)(C)C)nn1 118233829 YRCGMVIANQAJMM-UHFFFAOYSA-N 233.315 2.679 30 20 BFED C=CCCS(=O)(=O)Oc1ccc(C)c(C)c1 119270267 GLZHQGZKEZGOCO-UHFFFAOYSA-N 240.324 2.588 30 20 BFED CC[C@@](C)(C#N)NC(=O)[C@@H](C)c1cccc(C)c1 120434509 QRUBSKPWOIRHKE-WFASDCNBSA-N 244.338 2.907 30 20 BFED C=C(C)CSCCCS(=O)(=O)C(C)C 123882771 DIARVZRHWXPDEH-UHFFFAOYSA-N 236.402 2.509 30 20 BFED C[C@H](O)C[C@H]1CCCCCN1CCCCC#N 124326531 KPWFJDZCJPRWEZ-UONOGXRCSA-N 238.375 2.696 30 20 BFED N#Cc1ncccc1NCCCC(F)(F)F 124360733 WGGTVVIFDMGLFT-UHFFFAOYSA-N 229.205 2.708 30 20 BFED CC[C@H](C#N)Sc1ccc2c(c1)OCCO2 127100902 FVGGJHNZZSPZIN-SECBINFHSA-N 235.308 2.852 30 20 BFED C#CCOc1ccc(CN(C)CCC)cc1 127553973 PJQUKJYSLXANSG-UHFFFAOYSA-N 217.312 2.540 30 20 BFED C=C(C)CN(CC)C(=O)c1cc(F)ccc1O 128594103 ZYWGDSCRLSDXIU-UHFFFAOYSA-N 237.274 2.570 30 20 BFED Cc1ccc(F)cc1CN(C)C[C@H](C)C#N 129160788 QJCFLVOYVYOKJU-SNVBAGLBSA-N 220.291 2.726 30 20 BFED C=CCNC(=O)C[C@H](CC)c1ccc(OC)cc1 131331388 QLJFFCYZUBLFFX-LBPRGKRZSA-N 247.338 2.881 30 20 BFED C=C[C@@](C)(CC)C(=O)NCC1(C2CC2)CC1 135143214 ZFMJXJKCEZBXQJ-ZDUSSCGKSA-N 221.344 2.895 30 20 BFED CCCCCCCC(=O)NCCCF 154222789 CMIGAOAMVWTWDG-UHFFFAOYSA-N 203.301 2.823 30 20 BFED C#CCOc1cc(F)ccc1NC(=O)CCC 155217037 LIPSAAALHFPTOX-UHFFFAOYSA-N 235.258 2.576 30 20 BFED C#CCN(CC1CC1)C(=O)c1ccccc1Cl 156786871 AACJBRXGJCGNQG-UHFFFAOYSA-N 247.725 2.825 30 20 BFED C=CC1CCN(C(=O)N[C@@H]2C=CCCC2)CC1 158836928 XAVOLKALTZZAAN-CYBMUJFWSA-N 234.343 2.703 30 20 BFED C=CC[C@@H](C)NC(=O)Nc1nc(C)c(C)s1 172051116 QFUFMQLHAHLQSL-SSDOTTSWSA-N 239.344 2.846 30 20 BFED CC#CCOC(=O)c1ccc(Cl)s1 174190771 NQZWISGWPFGSPT-UHFFFAOYSA-N 214.673 2.582 30 20 BFED Cc1ccccc1N/C(N)=N/CCC1CC1 178577983 HNEVQABULWUIMW-UHFFFAOYSA-N 217.316 2.522 30 20 BFED C=C(C)CN(C)C(=O)COc1c(C)cccc1C 180407055 JHPCLINVAINWMV-UHFFFAOYSA-N 247.338 2.717 30 20 BFED C=CCN[C@H](C)c1cccc(N2CCCC2=O)c1 181415351 ONSRMSCSHJHECV-GFCCVEGCSA-N 244.338 2.650 30 20 BFED C=CCSCCNC(=O)[C@H]1C[C@]1(C)C(C)C 186950230 TUXIIYWWZWFECO-DGCLKSJQSA-N 241.400 2.704 30 20 BFED C=C(C)CNC(=O)/C=C(\C)c1ccc(F)cc1 189419793 MRJGINZVGAAZML-DHZHZOJOSA-N 233.286 2.921 30 20 BFED C[C@H](C#N)CN[C@@H]1CCC(C)(C)C[C@@H]1C 222121087 LTXGSEDLEKUKRG-GRYCIOLGSA-N 208.349 2.950 30 20 BFED Cc1cscc1C(=O)N1CCC(C)(C#N)CC1 227517639 YLCGFDHKMSNSCO-UHFFFAOYSA-N 248.351 2.822 30 20 BFED CCC(C#N)(CC)C(=O)NC[C@@H]1CCC[C@@H]1C 230683301 LHAJQLAKZLTSPL-RYUDHWBXSA-N 236.359 2.869 30 20 BFED C#CCOC(=O)c1ccc(CCCC)cc1 231127338 YAWOJLNOMXTBNT-UHFFFAOYSA-N 216.280 2.819 30 20 BFED C#C[C@@H](CCC)NC(=O)c1cc2c(s1)CCC2 233293215 AFOPJBJSLAPYMH-NSHDSACASA-N 247.363 2.769 30 20 BFED C#C[C@@H](CCC)NC(=O)c1cc2ccccc2o1 233293253 JSWNDMSTMIYOKZ-LBPRGKRZSA-N 241.290 2.965 30 20 BFED Cc1ccnc(N2CC[C@H](C)C[C@H]2C)c1C#N 250873396 MPWCOIBXTCMPKJ-CMPLNLGQSA-N 229.327 2.887 30 20 BFED C[C@H](NC(=O)C1(C#N)CCC1)[C@H]1C[C@H]2CC[C@H]1C2 252661656 NPHOFRTXDPUXMD-ZDEQEGDKSA-N 246.354 2.621 30 20 BFED CC(C)n1cc(/C=C\C(=O)c2ccco2)cn1 255465255 PVTRPZWSHUNXQF-WAYWQWQTSA-N 230.267 2.953 30 20 BFED N#CCN1CCC(c2ccc(F)c(F)c2)CC1 264150367 CVTBOMJCYKHRGM-UHFFFAOYSA-N 236.265 2.668 30 20 BFED C=CCCCC(=O)Nc1cnc2onc(C)c2c1 267201556 QTDVANPXBQJIQX-UHFFFAOYSA-N 245.282 2.826 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccnc(OC(C)C)c1 268320746 FLJRWWVBNQGFLI-LLVKDONJSA-N 248.326 2.563 30 20 BFED C#CCCCNc1cccc(C(C)=O)c1 270968484 ZHUAZXRYJPFVSU-UHFFFAOYSA-N 201.269 2.715 30 20 BFED C=CCN(CC=C)C(=O)c1ccc(C)c(C)c1O 271195928 HNWAVTBXRGBMQB-UHFFFAOYSA-N 245.322 2.823 30 20 BFED C#CC[C@@H](NCCCC#N)c1ccccc1 271674135 HDDCAHREVATRGS-CQSZACIVSA-N 212.296 2.644 30 20 BFED C#CCCCCC(=O)N(C)c1ccccc1C#N 274865779 CIFFTRQKBFDNKZ-UHFFFAOYSA-N 240.306 2.715 30 20 BFED C=C[C@@](C)(CC)C(=O)NCC#Cc1ccccc1 275930716 AXSIAUKGROUCPH-INIZCTEOSA-N 241.334 2.757 30 20 BFED C#CCN(CC#N)C(=O)C[C@@H](C)C1CCCCC1 281040111 DHTGOVQDCLJCGF-CYBMUJFWSA-N 246.354 2.578 30 20 BFED Cc1nsc(N2C[C@@H](C)C[C@H](C)C2)c1C#N 285543934 ICDNYVPHJXOVSM-IUCAKERBSA-N 235.356 2.806 30 20 BFED C=C(CNC(=O)N1CCCC1)c1ccccc1 288052020 PEDUMLQVEUWKAS-UHFFFAOYSA-N 230.311 2.505 30 20 BFED C=C(CNC(=O)C1[C@H]2CCC[C@H]12)c1ccccc1 288175676 MUTBKSKJIZEQGM-KBPBESRZSA-N 241.334 2.862 30 20 BFED N#CCCCC(=O)NCCC1=CCCCC1 290920487 HNUFMPUZDRZLKR-UHFFFAOYSA-N 220.316 2.687 30 20 BFED C#CCCCCC(=O)NCC(C)(C)CC=C 294235855 NCPQGOXJXUZXTH-UHFFFAOYSA-N 221.344 2.899 30 20 BFED C=C(C)CN1CC(C)(C)N(CC(=C)C)C[C@H]1C 296528563 CUBDLPKZMYJHDN-CQSZACIVSA-N 236.403 2.923 30 20 BFED C#CCN(CC)C(=O)c1cc2ccc(C)cc2[nH]1 299145731 QQGHSOQYFXBXLS-UHFFFAOYSA-N 240.306 2.572 30 20 BFED CCCCCSc1ccc(C#N)nn1 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20 BFED C=CCCN1CCN(c2ccccc2F)C[C@@H]1C 682781454 ZEQMWOPPBBGPEG-ZDUSSCGKSA-N 248.345 2.912 30 20 BFED N#Cc1cc(NCCOCC2CCC2)ccc1F 690330501 BTIXPFZUBZNUTQ-UHFFFAOYSA-N 248.301 2.926 30 20 BFED N#C[C@H]1CCCN(C(=O)OC2CCCCC2)C1 704338775 SGQBRZRDWQHAKR-LLVKDONJSA-N 236.315 2.691 30 20 BFED C#CC1CCN(C(=O)c2ccccc2Cl)CC1 709613609 PFOSUADSANGYEL-UHFFFAOYSA-N 247.725 2.825 30 20 BFED Cc1cc(C)nc(CN(CC#N)C2CCCC2)c1 723614415 PXBCJSDBWLDAEF-UHFFFAOYSA-N 243.354 2.967 30 20 BFED CC(C)C[C@@H](C#N)NC(=O)C=C1CCCC1 726560519 ZXCSHBBMMHMGPP-LBPRGKRZSA-N 220.316 2.541 30 20 BFED C#CCCOC(=O)[C@@H](CC)c1ccccc1 727041585 DOMUGHUHEGDZKB-ZDUSSCGKSA-N 216.280 2.747 30 20 BFED C=C(C)CNc1ccc(F)c(NC(=O)O)c1 736094720 SZYDQVODLOXCQN-UHFFFAOYSA-N 224.235 2.904 30 20 BFED FC(F)CNN=Cc1ccc(Cl)cc1 740618157 UMARDZKCPBNRTN-UHFFFAOYSA-N 218.634 2.529 30 20 BFED CON=Cc1cc(C)c(C)cc1OC(F)F 743436449 XJNLPYFZSVHUSE-UHFFFAOYSA-N 229.226 2.885 30 20 BFED C=CCCO[C@H](C)C(=O)OCC/C=C\CC 743457894 XTAQCHUFRVMJMB-XYLWRLHESA-N 226.316 2.867 30 20 BFED CC(=NNc1nc(C)cc(C)n1)c1ccsc1 749099459 OYFIUEXLJRJAEE-UHFFFAOYSA-N 246.339 2.991 30 20 BFED C#CC(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 753968216 IZZANQKQNKXLDU-GXFFZTMASA-N 243.306 2.527 30 20 BFED COc1cc(F)cc(NN=CC(C)C)c1 755767729 DZBVXKMDAABDAA-UHFFFAOYSA-N 210.252 2.888 30 20 BFED CC(=NNC1CC1)c1ccc2c(c1)CCC2 758133949 UBZLXWFJWNSBNG-UHFFFAOYSA-N 214.312 2.651 30 20 BFED C#CCCCCNC(=O)NCC(C1CC1)C1CC1 758814246 LKMQAHFCDJVKGD-UHFFFAOYSA-N 248.370 2.525 30 20 BFED Cc1csc([C@H](C#N)C(=O)[C@H]2CC23CCC3)n1 759813795 ITLADTPJKZQYDT-NXEZZACHSA-N 246.335 2.818 30 20 BFED CCCCCCCn1cnc(C)cc1=O 762201200 DLHYPDZMJBLVKT-UHFFFAOYSA-N 208.305 2.522 30 20 BFED CCC(C=NNc1ccc(C(=O)O)cn1)CC 763371505 CNUCETVKARRPBI-UHFFFAOYSA-N 235.287 2.614 30 20 BFED C=C(CN(C)C)C(=O)Nc1ccc(C(C)C)cc1 763898477 AOOGMCNTEOSWJM-UHFFFAOYSA-N 246.354 2.866 30 20 BFED C=C(CC)COC(=O)Cc1ccccc1F 773435903 LKOGDASUVYSYAA-UHFFFAOYSA-N 222.259 2.878 30 20 BFED C=C(CC)COC(=O)c1cccc2nc(O)oc12 773536070 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BFED C=CC[C@H](CC)NC(=O)/C=C/c1nccs1 1121096314 YKLQRJSFFSGFOS-FGEFZZPRSA-N 236.340 2.627 30 20 BFED C=C[C@H](CC)CC(=O)O[C@H]1CCOC[C@H]1C 1263507859 LKMBRWCTCICKLL-UTUOFQBUSA-N 226.316 2.557 30 20 BFED C=C[C@H](COC)N[C@H](C)[C@@H]1CCCC[C@H]1C 1324550397 GCFGRNSKFXCHTM-AAVRWANBSA-N 225.376 2.992 30 20 BFED CC(=O)c1ccc(N(C)CCCC#N)cc1 1330719784 FGBZNSZRROONBJ-UHFFFAOYSA-N 216.284 2.629 30 20 BFED C=CC(C)(C)CC(=O)Nc1cc(F)ccc1N 1333178919 WMBOMYSKPDSSLX-UHFFFAOYSA-N 236.290 2.949 30 20 BFED CC[C@H](C#N)N(CC)C(=O)/C=C(\C)c1ccco1 1337717752 ZURZDMSDBJNKHO-LMMOQWNQSA-N 246.310 2.834 30 20 BFED Cc1nc(C(C)C)ccc1C(=O)O[C@@H](C)CC#N 1341831730 BHFJBZCQNIQYHV-JTQLQIEISA-N 246.310 2.972 30 20 BFED Cc1coc(C(=O)O[C@@H](C#N)C(C)(C)C)c1 1344712119 HNSNDBFOMHOOHY-JTQLQIEISA-N 221.256 2.683 30 20 BFED C=C(CC)C(=O)N(C1CC1)[C@@H](C)C(C)C 1350953278 FLTWORBOMUVOOV-NSHDSACASA-N 209.333 2.988 30 20 BFED C=CCCCCCN(C)C(=O)c1ccns1 1353581986 GORGVIUOIKDVED-UHFFFAOYSA-N 238.356 2.962 30 20 BFED 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N#Cc1c(F)cccc1NCCc1cscn1 80108263 QWPDXNJPWBYZQF-UHFFFAOYSA-N 247.298 2.808 30 20 BFED C[C@@H]1CCCC[C@H]1CNC(=O)C1(C#N)CCC1 83795294 QFMLEGPMHFWOHL-NEPJUHHUSA-N 234.343 2.623 30 20 BFED N#Cc1cccc(CNCc2cccs2)c1 84569320 NVMVKFFSCVMHNZ-UHFFFAOYSA-N 228.320 2.910 30 20 BFED Cc1oc(C)c(C(=O)N(CCC#N)C(C)C)c1C 87198970 ZWQTVGGEMYOVLY-UHFFFAOYSA-N 248.326 2.969 30 20 BFED C#CCOc1ccc(NC(=O)/C=C/C=C/C)cc1 108187045 IWPUQMPIZRRBCQ-TWTPFVCWSA-N 241.290 2.769 30 20 BFED CN(Cc1cccnc1)c1ccc(F)cc1C#N 111036041 HFXQRVVCZYADNM-UHFFFAOYSA-N 241.269 2.729 30 20 BFED C=CCN(CC=C)C(=O)CCCc1ccccn1 112785106 AYBZGJRCQWFHNQ-UHFFFAOYSA-N 244.338 2.605 30 20 BFED C=CC[C@H](C)NC(=O)Cc1ccccc1Cl 116863595 FSJCDPVGFTZYCY-JTQLQIEISA-N 237.730 2.963 30 20 BFED C=CC[C@@H](C)NC(=O)[C@@H]1CSc2ccccc21 118345721 QMOBKDNPWHDLNR-ZYHUDNBSSA-N 247.363 2.957 30 20 BFED CC(C)CC(C)(C)CNC(=O)c1ccc(C#N)[nH]1 119805555 FBHPOIWXIVXHDU-UHFFFAOYSA-N 247.342 2.688 30 20 BFED C#CCCCCC(=O)N(C)[C@@H](C)C1(C)CC1 120260894 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C=CCCC[C@H](C)NC(=O)NCC1CCC1 180474384 RYIHNTHAQYIPIH-NSHDSACASA-N 224.348 2.831 30 20 BFED CC[C@@H](C#N)NC(=O)C1(C)CCCCCC1 181097831 KCEAIVMBICAROE-NSHDSACASA-N 222.332 2.765 30 20 BFED CC(C)OCCNc1ccccc1O[C@H](C)C#N 182594458 RITFMIFTQPLYID-GFCCVEGCSA-N 248.326 2.814 30 20 BFED C=C(C)CN(C)C(=O)c1cccnc1NC(C)C 183063256 XGIJWCKQVDXBNE-UHFFFAOYSA-N 247.342 2.550 30 20 BFED Cc1ccn(CCCC2CCCC2)c(=O)c1C#N 183277369 QTWBPNZMSJTDGD-UHFFFAOYSA-N 244.338 2.999 30 20 BFED C[C@@H]1CCN(C(=O)c2cccc(F)c2C#N)[C@@H]1C 188436977 UANAPSNGUHSVAX-NXEZZACHSA-N 246.285 2.568 30 20 BFED C=CCN(C)C(=O)c1cc(C)nc2ccccc12 189437101 HNCUCDSUCAESMA-UHFFFAOYSA-N 240.306 2.801 30 20 BFED C[C@@H]1CCC[C@H]1NCc1cccc(C#N)c1F 221939127 YOUKTGVWNOSTFE-ZWNOBZJWSA-N 232.302 2.976 30 20 BFED C[C@H](O)[C@@H](C)SCc1ccc(F)c(C#N)c1 229754336 WPFICZCFAJQRBV-DTWKUNHWSA-N 239.315 2.700 30 20 BFED C[C@@H]1CCC[C@H]1CNC(=O)c1cccc(C#N)c1 230683251 KBNSYCCEUYFEFX-RISCZKNCSA-N 242.322 2.724 30 20 BFED N#Cc1cc(NCCSC(F)(F)F)ccn1 231948483 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2.933 30 20 BFED C=C(C)CNCc1cnc2ccc(Cl)cn12 276073961 WLEISAOQVJEZET-UHFFFAOYSA-N 235.718 2.653 30 20 BFED COc1ccccc1CN(C)[C@@H](C)CCC#N 276313068 MUUHBDZBNFREAS-LBPRGKRZSA-N 232.327 2.819 30 20 BFED C[C@@H](CCC#N)N(C)Cc1cccc(C#N)c1 276326404 QBFFCXFKZWHHRW-LBPRGKRZSA-N 227.311 2.682 30 20 BFED C#C[C@H](C)NC(=O)Nc1ccccc1OC(C)C 276499232 BMQNIUHDKBQDMY-NSHDSACASA-N 246.310 2.617 30 20 BFED C=CC[C@@H](CC)NC(=O)c1cc(C)oc1C 281017937 GGZNXOHLVHSZEE-LLVKDONJSA-N 221.300 2.981 30 20 BFED CC(C)(C#N)c1nc([C@@H]2CCC(F)(F)C2)no1 281294199 HDJFALKLBJALIR-SSDOTTSWSA-N 241.241 2.774 30 20 BFED N#Cc1c(F)cccc1OCCOC1CCC1 286332693 AOXYPRYYKASSAT-UHFFFAOYSA-N 235.258 2.645 30 20 BFED N#Cc1ccc(NC[C@H]2CCCSC2)nc1 288509870 MZFGCKPXLCEDJO-LLVKDONJSA-N 233.340 2.508 30 20 BFED C=C(C)CCc1noc(-c2ccncc2C)n1 289284292 UHEPOKSRCQQCLQ-UHFFFAOYSA-N 229.283 2.949 30 20 BFED C=C[C@@](C)(CC)c1nc(Cc2cscn2)no1 290296106 ZRZSXKMBEONHMN-LBPRGKRZSA-N 249.339 2.971 30 20 BFED C=CCC(C)(C)c1nc(-c2nccc(C)n2)no1 291974840 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228.339 2.940 30 20 BFED C#Cc1cccc(N(C)C[C@H]2CCCOC2)c1 768534738 SLYZWOJEOUVNQZ-CQSZACIVSA-N 229.323 2.531 30 20 BFED FC(F)(F)CNN=Cc1cc2ccccc2o1 769825347 RHYHWQXDQIKRMO-UHFFFAOYSA-N 242.200 2.919 30 20 BFED Cc1cccc(F)c1NN=Cc1cc[nH]c1 769827508 BJYCCEDZGXUZGY-UHFFFAOYSA-N 217.247 2.908 30 20 BFED C[C@H](C#N)CNN=C[C@@H](C)CCc1ccccc1 771104887 WKPDNMJLGIQHOW-UONOGXRCSA-N 243.354 2.990 30 20 BFED CC(C)CNN=Cc1cc(Cl)cc(F)c1O 771558187 VUKAEGITNAIUCC-UHFFFAOYSA-N 244.697 2.764 30 20 BFED CCCCC(COC)=NN[C@H]1C[C@H]2CC[C@H]1C2 774592838 FTMBUUZUJMZGLE-OBJOEFQTSA-N 238.375 2.957 30 20 BFED N#CC1(COC(=O)CCC2CCCC2)CC1 775828239 OOBWMCNPHHDSTL-UHFFFAOYSA-N 221.300 2.804 30 20 BFED CCSCCC=NOCc1cccnc1 781127805 MHCDNSOQIIWQQT-UHFFFAOYSA-N 224.329 2.727 30 20 BFED FC(F)(F)CNN=Cc1scnc1C1CC1 782271576 GFCUOWRVHFPIIA-UHFFFAOYSA-N 249.261 2.506 30 20 BFED Cc1cccc(C)c1CNC(=O)CC(C)(C)C#N 784219493 JAMGXUPMJXPUKC-UHFFFAOYSA-N 244.338 2.860 30 20 BFED CC(=NOC[C@@H]1CCOC1)c1ccccc1C 788033818 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248.351 2.885 30 20 BFED C[C@H](Sc1nncn1C)c1ccc(C#N)cc1 118171513 MTTKNESIWLJWTE-VIFPVBQESA-N 244.323 2.540 30 20 BFED C=CCCO[C@H](C)C(=O)Nc1ccc(C)nc1C 119322175 IHUCUHSNQKDPSC-GFCCVEGCSA-N 248.326 2.618 30 20 BFED C=CCC(CC=C)C(=O)Nc1ccccn1 121866694 ROACCVXXLYXCCC-UHFFFAOYSA-N 216.284 2.789 30 20 BFED CC[C@H](C#N)OC(=O)CCO[C@@H](C)CC(C)C 122160486 AFQMVFRBIBPBOB-NWDGAFQWSA-N 241.331 2.673 30 20 BFED C=C(C)CNC(=O)CCOc1c(C)cccc1C 122987975 NYVWEYMTVSZCJJ-UHFFFAOYSA-N 247.338 2.765 30 20 BFED CC(=O)Nc1ccc(/C(C)=N/OCC2CC2)cc1 123950379 SOQORYGLVDOVJD-MHWRWJLKSA-N 246.310 2.796 30 20 BFED C=CCC[C@@H](C)NC[C@@H](C)CN1CCCC1 126767535 VVMWZLSEULBMBL-ZIAGYGMSSA-N 224.392 2.663 30 20 BFED CC[C@@](C)(C#N)C(=O)Nc1nc(C)c(C)s1 136206989 VEJXKARVBAGDJI-NSHDSACASA-N 237.328 2.638 30 20 BFED C=C(C)CN(CC)C(=O)C[C@H](C)SC 158201468 GJVZVQOAKKWHPE-JTQLQIEISA-N 215.362 2.553 30 20 BFED CCC[C@H](C(=O)N[C@](C)(C#N)CC)C(C)C 162041743 SEGNEGZSIRFFLT-AAEUAGOBSA-N 224.348 2.867 30 20 BFED 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N#C[C@]1(c2cccc(Cl)c2)CCOC1 238548020 VVWWSGYRRIJOKS-LLVKDONJSA-N 207.660 2.522 30 20 BFED C=C[C@H](C)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 252740332 MXSAGUFPCHTMNX-ZSOGLFGHSA-N 205.345 2.975 30 20 BFED C=CC[C@H](C)N[C@@H]1CCC[C@H]1[C@@H]1CCCCN1 252951213 DSVLISSXYXHNSB-ZQDZILKHSA-N 236.403 2.851 30 20 BFED CC1(C)CCC(C)(C/N=C(\N)N2CCC2)CC1 263161676 QRIUQDHKJNHXFC-UHFFFAOYSA-N 237.391 2.613 30 20 BFED C=C(Cl)CNC(=O)[C@@H](SCC)C(C)C 265600359 ZNNZLBGZTXSSNQ-VIFPVBQESA-N 235.780 2.633 30 20 BFED Cc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)s1 267292287 YCCLEDUYQUUICC-JTQLQIEISA-N 236.340 2.725 30 20 BFED C#CCCN(CC)[C@H](C)c1ccc(C#N)cc1 268694493 IADFAGCTQAYFPR-CYBMUJFWSA-N 226.323 2.964 30 20 BFED CC(C)(C#N)CCN(Cc1ccccn1)C1CC1 272060187 WKJKLLLDXAPASJ-UHFFFAOYSA-N 243.354 2.986 30 20 BFED C[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 275024426 AYLQEMSLUITIIM-VXGBXAGGSA-N 214.312 2.961 30 20 BFED C=C[C@](C)(CC)c1nc(CC2CC2)no1 276236239 TVZCWYKLOSYRQO-GFCCVEGCSA-N 206.289 2.876 30 20 BFED C=CCCN(C)C(=O)c1cn(C(C)(C)C)nc1C 276440552 SPEAEUDLVNBBKA-UHFFFAOYSA-N 249.358 2.595 30 20 BFED C=Cc1ccc(C(=O)N(C)C[C@H](C)C#N)cc1 277107245 PYXJVZULEJPKJW-LLVKDONJSA-N 228.295 2.561 30 20 BFED CC#CC(=O)N[C@@H](CC)c1cccc(Cl)c1 277307725 DXRUWTWDZJQCLK-LBPRGKRZSA-N 235.714 2.931 30 20 BFED C=CC[C@@H](CC)n1c(O)nc2ccccc2c1=O 281073220 SYTKDTGMKAOEDG-SNVBAGLBSA-N 244.294 2.629 30 20 BFED C=CC[C@H](CC)NC(=O)c1ccccc1C(C)=O 281579170 BHGGSCYTLPCNAJ-LBPRGKRZSA-N 245.322 2.974 30 20 BFED N#CCCCN[C@H]1Cc2[nH]c3ccccc3c2C1 282150605 CRDIBZLQZWRFBU-LLVKDONJSA-N 239.322 2.528 30 20 BFED CC#CC(=O)N1CC=C(c2cccc(C)c2)CC1 283090884 FMLKNYRCLBOJPL-UHFFFAOYSA-N 239.318 2.634 30 20 BFED C=C(C)Cn1c(N2CCCC2)nnc1C(C)(C)C 283321621 QFZWAKZMTVHAKS-UHFFFAOYSA-N 248.374 2.752 30 20 BFED C#CC(C)(C)N(C)Cc1nc(C)c(C)s1 286294079 VHEQEPKPWBWGAJ-UHFFFAOYSA-N 222.357 2.604 30 20 BFED C=C[C@@](C)(CC)c1nc(Cc2ccncc2)no1 288951362 KJRLNDYKGYTAPJ-AWEZNQCLSA-N 243.310 2.909 30 20 BFED C#Cc1ccc(CN[C@H]2CCOC(C)(C)C2)cc1 290224717 FIDITUIWQKCNSA-HNNXBMFYSA-N 243.350 2.715 30 20 BFED C#C[C@@H](NCc1ccsc1C)C(C)C 294818173 XJEFXJXMGXOMJF-GFCCVEGCSA-N 207.342 2.804 30 20 BFED C=CCCCCCN(C)C(=O)[C@@H]1CC1(F)F 296024285 ZHSSVLQDYHOCJL-JTQLQIEISA-N 231.286 2.846 30 20 BFED C#CCCN1CCC[C@H]1COc1ccccc1 296042578 AOOHIOCEVFGFLE-AWEZNQCLSA-N 229.323 2.553 30 20 BFED CCN(CC#N)[C@H](C)c1nc2ccccc2o1 298311649 YSOQBROKLDYNCP-SNVBAGLBSA-N 229.283 2.734 30 20 BFED C=C[C@@H](SCc1ccccc1)C(=O)OC 300826717 BXSKCPUQSXTULA-LLVKDONJSA-N 222.309 2.647 30 20 BFED CC[C@@H](C)CN(C)c1ccc(C#N)cc1[N+](=O)[O-] 301293201 XKCVLHUGKWMJNT-SNVBAGLBSA-N 247.298 2.949 30 20 BFED CC(C)CCN/C(N)=N/C[C@@H]1CCCC[C@H]1C 303866472 CLZLDGHXYJSNAE-OLZOCXBDSA-N 239.407 2.763 30 20 BFED N#CCCCN[C@H]1CCC[C@H](C2CC2)C1 308901827 CFPDSDQEIUTUNU-STQMWFEESA-N 206.333 2.849 30 20 BFED C#C[C@H](NCCCCCCC)[C@H]1CCCO1 309467435 PTMAWGRACNSJDR-UONOGXRCSA-N 223.360 2.727 30 20 BFED CC(C)CN1CCO[C@@H](c2cccc(C#N)c2)C1 334536513 UIQLPWPIVILKMH-OAHLLOKOSA-N 244.338 2.588 30 20 BFED CC[C@@H](C)CC(=O)N1CCCC(C)(C)[C@H]1C#N 335744138 DVZTZAHCZANJQZ-VXGBXAGGSA-N 236.359 2.963 30 20 BFED C=C(C)CNC(=O)Nc1cccc2ccn(C)c12 336052811 ULPMORQLVHUXSH-UHFFFAOYSA-N 243.310 2.876 30 20 BFED Cc1sccc1CN1CCC(C#N)CC1 336117236 NZPYRDYBCOMHJI-UHFFFAOYSA-N 220.341 2.792 30 20 BFED N#CCCN1CC[C@H](c2c(F)cccc2F)C1 336331737 LGAOUISBJCJXLD-JTQLQIEISA-N 236.265 2.668 30 20 BFED COc1ccc(CN2CC[C@](C)(F)C2)cc1C#N 336382337 BLMRFRPVKJCJPO-AWEZNQCLSA-N 248.301 2.501 30 20 BFED C=CCCC(=O)Nc1nnc(-c2ccco2)s1 338617050 LECPYSZJXARABZ-UHFFFAOYSA-N 249.295 2.703 30 20 BFED N#Cc1ccc(OCC2(O)CCC2)c(Cl)c1 339323520 MLCHMIWXYDKISD-UHFFFAOYSA-N 237.686 2.505 30 20 BFED C=CC[C@@H](C)NC(=O)CC(C)(C)C1CC1 340440068 DWROZHRZQPXRFV-SNVBAGLBSA-N 209.333 2.894 30 20 BFED C=CCCC(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1 345481694 SOHPDEQYCRWKGT-OLZOCXBDSA-N 233.286 2.764 30 20 BFED C[C@@H]1CCN(C[C@@H](C#N)CCC#N)CC1(C)C 354024201 LVJGJTNKQWLLET-CHWSQXEVSA-N 233.359 2.798 30 20 BFED C=CCN(C(=O)[C@H]1C[C@@]1(C)CC)C1CC1 357514219 VQZAFGUADARZOG-DGCLKSJQSA-N 207.317 2.600 30 20 BFED C=CC1CCN(C(=O)CC[C@@H](C)SC)CC1 358390183 AYOWDQIKXUDVOP-LLVKDONJSA-N 241.400 2.943 30 20 BFED CC#CCCCC(=O)N(CCC)CC1CC1 362222903 NSQPQWVSVJUIHN-UHFFFAOYSA-N 221.344 2.829 30 20 BFED N#Cc1ccc(CN2CC[C@@H](C3CC3)C2)c(F)c1 362411981 DUDWSTKHUBJHDN-CYBMUJFWSA-N 244.313 2.929 30 20 BFED C=C(C)CN(CC)C(=O)[C@@H]1CCc2cccnc21 362527751 FUFYJWOORSZLCO-CYBMUJFWSA-N 244.338 2.536 30 20 BFED C=C[C@H](C)NC(=O)[C@H](C)c1ccsc1 362602458 UEYSARKXNKGLDP-DTWKUNHWSA-N 209.314 2.542 30 20 BFED C=C[C@H](C)NC(=O)N[C@H](C)c1ccc(OC)cc1 362666861 GTKMQNYIDMBWLC-WDEREUQCSA-N 248.326 2.630 30 20 BFED C=CCC[C@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 368569276 LNRBJEHRECJASB-RQJABVFESA-N 221.344 2.641 30 20 BFED N#CCC[C@@H](C#N)CN1CC2(CCCCC2)C1 371953075 JJPHPXXJUHPFGJ-ZDUSSCGKSA-N 231.343 2.696 30 20 BFED CC1(C)CC[C@H]1NCc1cccc(C#N)c1F 383427137 CLTQPGSLGGKRAO-GFCCVEGCSA-N 232.302 2.976 30 20 BFED C=C(C)CCN=c1nc(C(C)(C)C)cc[nH]1 386715757 QRTQNEXOESPXPI-UHFFFAOYSA-N 219.332 2.574 30 20 BFED C=CC[C@H](CC)NCc1cc(OC)ns1 399209181 OQAOBNXZSVEGIO-VIFPVBQESA-N 226.345 2.596 30 20 BFED CCCCCCCN(CCCO)C1CC1 404274660 DATJMZIMXBRPDI-UHFFFAOYSA-N 213.365 2.804 30 20 BFED N#CC1(c2nc([C@H]3CCCO3)no2)CCCCC1 408226699 RPDAHYBUULLKTO-SNVBAGLBSA-N 247.298 2.647 30 20 BFED C[C@@H]1O[C@H](C)C[C@H]1CNc1ccc(C#N)cc1 413526750 CNOVDJFHAJDAPF-MDZLAQPJSA-N 230.311 2.784 30 20 BFED CC(=O)Nc1ccc(OCC2(C#N)CCC2)cc1 418754042 BDFRUWQQNZYLRX-UHFFFAOYSA-N 244.294 2.718 30 20 BFED N#CC1(CNc2ncc(C(F)F)cn2)CCC1 419020895 LETOQXSEYLKZLN-UHFFFAOYSA-N 238.241 2.520 30 20 BFED CCC[C@@]1(C)CCCN(/C(=N\CC)N(C)C)C1 428743291 XNXXNPDIUJFWCP-RHIYTYFCSA-N 239.407 2.826 30 20 BFED C=CCC[C@H](N[C@H]1CN(C2CC2)C[C@@H]1C)C1CC1 438984036 DHCKEWPJYWNKQF-RCBQFDQVSA-N 248.414 2.804 30 20 BFED C=CCN1C[C@H](CC)Oc2ccccc21 441370100 WZQLMUWLDKLRBB-NSHDSACASA-N 203.285 2.850 30 20 BFED C=C(C)CCNC(=O)CCc1ccccc1 448551183 URCNZROPYQXEKQ-UHFFFAOYSA-N 217.312 2.702 30 20 BFED C=CCCCC[C@H](C)NCCN1CC=CCC1 449300917 QCUVSAQZMOVKIT-HNNXBMFYSA-N 236.403 2.973 30 20 BFED C=C(CC)CN[C@@H]1C[C@](C)(OC)C1(C)C 451490051 OEPUMQVNRFXWEV-YPMHNXCESA-N 211.349 2.746 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2ccccc21 451610299 YIAOVAMQCNBQJP-XHSDSOJGSA-N 243.350 2.997 30 20 BFED C=C(CC)CNC(=O)N[C@@H]1C[C@@]1(C)C(C)C 459096649 PWUSXUDPUGGZQT-YPMHNXCESA-N 224.348 2.686 30 20 BFED C=C(C)CN(C)C(=O)CO[C@@H]1CCCC[C@@H]1C 479279042 IMBDHVYGDPAXKX-QWHCGFSZSA-N 239.359 2.616 30 20 BFED C=CC1CCN(C(=O)NCCC=C(C)C)CC1 479847959 NCDBGFOZPDWFFI-UHFFFAOYSA-N 236.359 2.950 30 20 BFED CC#CCCNC(=O)N(CC(C)C)CC(C)C 483412189 FKASFSDOGOEGPW-UHFFFAOYSA-N 238.375 2.723 30 20 BFED C=CCCCS(=O)(=O)N(CC)CC(C)(C)C 489995226 QYMQIMQENFDRAT-UHFFFAOYSA-N 247.404 2.650 30 20 BFED C#CCN(C)C(=O)Nc1ccc(F)c(Cl)c1 491044294 GWBOBLDUNVYIGL-UHFFFAOYSA-N 240.665 2.576 30 20 BFED C#CCNC(=O)N1C[C@@H](C(C)C)c2ccccc21 491728331 MALALDPYKWDSCQ-ZDUSSCGKSA-N 242.322 2.589 30 20 BFED C=C(C)CONC(=O)/C=C/C(=C/C)CC 493107768 QKPYHBCZHQRHDW-VAZWZHNFSA-N 209.289 2.523 30 20 BFED C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCC1(C)C 512386592 HLXBBHJKMGINEL-NWDGAFQWSA-N 236.359 2.925 30 20 BFED CC#CCN(C)Cc1cccnc1C(F)(F)F 528514619 RCPBYWSUQXYPJO-UHFFFAOYSA-N 242.244 2.556 30 20 BFED C=CC(C)(C)CNC(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 529454653 VWQIAZICQBCALW-ADEWGFFLSA-N 221.344 2.607 30 20 BFED N#Cc1cc(=N[C@H]2C[C@H]2C2CCCCC2)cc[nH]1 553410722 ORMNVAGULILVTE-GJZGRUSLSA-N 241.338 2.756 30 20 BFED C=CCCCCN[C@@H]1C[C@@H](OC)C1(C)C 560288094 SGFACIXCSMTDAX-VXGBXAGGSA-N 211.349 2.746 30 20 BFED CC(F)(F)CNc1ncc2c(c1C#N)CCC2 566910264 GUKOWIFHKLDLNE-UHFFFAOYSA-N 237.253 2.509 30 20 BFED N#CC1(CNC[C@@H]2C[C@@H]2c2ccccc2)CC1 569664985 CHORUQGXFVRCHC-UONOGXRCSA-N 226.323 2.683 30 20 BFED Cc1cccc2c1N(Cc1ccc(C#N)cn1)CC2 572525636 JXJSJFDWXJWRNZ-UHFFFAOYSA-N 249.317 2.824 30 20 BFED CCc1nc(CN(C)[C@H](C)CCC#N)cs1 576484156 AFAOSGDSQCBXRM-SNVBAGLBSA-N 237.372 2.830 30 20 BFED C=CCOCCN1[C@H]2CCCC[C@@H]2C[C@H]1C 577891731 NISFKPSPDAVRDL-MCIONIFRSA-N 223.360 2.842 30 20 BFED CCC[C@@H](C)N(C)C(=O)Nc1cccc(C#N)n1 580309734 GKYONJJLLUQTEH-SNVBAGLBSA-N 246.314 2.606 30 20 BFED N#Cc1ccc(CSC2CCC2)nc1 583822444 LVABLNYOJHBLGK-UHFFFAOYSA-N 204.298 2.739 30 20 BFED C=CCn1c(C(C)C)nnc1N1C[C@@H](C)C[C@@H]1C 584438492 AKAXAXHMCYINCI-RYUDHWBXSA-N 248.374 2.822 30 20 BFED CC(C)[C@@](C)(C#N)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 593016414 OWELQDMUJQQDSE-QVHKTLOISA-N 246.354 2.643 30 20 BFED Cc1nnc(CSCC2(CC#N)CC2)s1 596347809 FASBXBRYXOQSBC-UHFFFAOYSA-N 239.369 2.774 30 20 BFED N#CCCN(Cc1cnc(C2CC2)o1)CC1CC1 600116976 IAZJOEYJNXKDDJ-UHFFFAOYSA-N 245.326 2.678 30 20 BFED N#Cc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cc1 601159014 BNPNNXILTZDVHA-GHMZBOCLSA-N 240.228 2.599 30 20 BFED CCOc1ccc(C#N)cc1N[C@@H](C)[C@@H](C)OC 602592856 VKDRSCOIIWHUPA-WDEREUQCSA-N 248.326 2.792 30 20 BFED C[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@](C)(C#N)C1 612120759 PTDUGPLCEIRLLJ-YRGRVCCFSA-N 249.358 2.510 30 20 BFED C=CCC(C)(C)CNC(=O)c1ncccc1F 615287091 VXEWYCXRCVABDQ-UHFFFAOYSA-N 236.290 2.553 30 20 BFED C=CC[C@@H]1CCCN(C(=O)[C@]23CCC[C@@H]2C3)C1 617777852 YHUJBUAXTARNLF-NFAWXSAZSA-N 233.355 2.991 30 20 BFED CC(C)CCN(C)C(=O)c1ccc(F)c(C#N)c1 619256909 WBDGQAIPHMLVMA-UHFFFAOYSA-N 248.301 2.815 30 20 BFED N#CCCCCN[C@@H]1CCCc2cccnc21 619611104 IPLMTOLWSNVMEP-CYBMUJFWSA-N 229.327 2.742 30 20 BFED C=C(C)CNC(=O)[C@@H](C)Cc1ccccc1C 626518719 BPLCGKXDCQYTJY-ZDUSSCGKSA-N 231.339 2.866 30 20 BFED C=CCN(C)C(=O)C/C=C\Cc1ccccc1 635819021 RWNTWIVJKNILOJ-FPLPWBNLSA-N 229.323 2.820 30 20 BFED C=CC[C@H](C)[C@@H](C)N[C@@H](C)COCC1CC1 651982830 ITGDAUFFPWSDPY-RWMBFGLXSA-N 225.376 2.992 30 20 BFED C=CC(C)(C)C(=O)Nc1nc(C(F)(F)F)co1 653847091 QSMDNNQNPIOZEU-UHFFFAOYSA-N 248.204 2.844 30 20 BFED C=CCC1(NCCOCC2CC2)CCCC1 661862281 HAHQTPICQZAMRC-UHFFFAOYSA-N 223.360 2.892 30 20 BFED C#CCCCCC(=O)NC[C@H](CCC)OCC 705299329 MLIILHLSCHCRNR-ZDUSSCGKSA-N 239.359 2.501 30 20 BFED CCC(CC)[C@@H](O)CN[C@H](C)CC(C)(C)C#N 709975021 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C#CCCc1noc(-c2cnc(C3CC3)s2)n1 761998525 BPJGVBZGEGINBU-UHFFFAOYSA-N 245.307 2.636 30 20 BFED CCC/C(C)=C/C(=O)N[C@H](CC)CC#N 762720119 XBEIQXWVVGESCO-PBQZMEPESA-N 208.305 2.541 30 20 BFED CO[C@@H](C)C(C)=NN[C@H](C)c1ccccc1 763163955 SZFIHEJCWVIXJZ-NEPJUHHUSA-N 220.316 2.748 30 20 BFED Cc1nc(C#N)c(NN=C2CC3(CCC3)C2)o1 772840981 QLJYCHGWHHDPIS-UHFFFAOYSA-N 230.271 2.587 30 20 BFED CCOc1ccccc1C=NOC1CCOCC1 774438418 QUJWOUBEVQJQCK-UHFFFAOYSA-N 249.310 2.615 30 20 BFED CCC(CC)CNN=Cc1ccc(C#N)cc1 774467350 ZYXJOSOTYGLGAT-UHFFFAOYSA-N 229.327 2.918 30 20 BFED C(/C=C/c1ccccc1)=NOC1CCOCC1 774476087 SBARJKKWDGVTQK-ZPEYGQBVSA-N 231.295 2.881 30 20 BFED CC#CCOC(=O)[C@H](CC)c1ccc(OC)cc1 775947160 YWZKSHZUNCAAFV-CQSZACIVSA-N 246.306 2.755 30 20 BFED CCCC(=O)O[C@@H](C#N)C1CCCCC1 776360766 WOBCQFAHFJRUNF-NSHDSACASA-N 209.289 2.802 30 20 BFED Cc1ccnc(NN=C2CCO[C@H](C(C)C)C2)c1 776778780 WQRQQVLTJUUGID-ZDUSSCGKSA-N 247.342 2.993 30 20 BFED COC[C@@H](C)NN=C[C@@H]1CCCC(C)(C)C1 777902983 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C=CCCCCCCNC(=O)c1ncc(C)o1 291778372 OHXGWXVTZYVVCR-UHFFFAOYSA-N 236.315 2.849 30 20 BFED C=CCC(C)(C)c1nc(-c2cccnc2)no1 291885024 JXMYRLMBKYLTSI-UHFFFAOYSA-N 229.283 2.985 30 20 BFED CC[C@H](C)[C@@H](CNc1ccc(C#N)c(C)n1)OC 294342087 YMTWHEQKZRHZOJ-GXFFZTMASA-N 247.342 2.735 30 20 BFED C=CC(C)(C)C(=O)N[C@@H](C)CCc1cccn1C 295018699 QNZJRTZDKNYNTE-LBPRGKRZSA-N 248.370 2.675 30 20 BFED C=CCCc1noc(C[C@H]2C=CCC2)n1 297459633 XRJKXYFTYRLIGV-JTQLQIEISA-N 204.273 2.697 30 20 BFED C=C[C@H](Nc1ccc(F)c(Cl)c1)C(=O)O 301052422 WDPBNTUSEWSQGG-VIFPVBQESA-N 229.638 2.530 30 20 BFED N#Cc1ccc(Sc2ccccc2F)nn1 301944618 WSRVXDFPXIUNFH-UHFFFAOYSA-N 231.255 2.639 30 20 BFED N#CCCCNCc1cc(Cl)cc(F)c1O 309528753 VJWGQIVZNPWMIM-UHFFFAOYSA-N 242.681 2.578 30 20 BFED CC(C)c1ccoc1/C(O)=N/CCC#N 330622116 NJCXDJKZVDQTLF-UHFFFAOYSA-N 206.245 2.621 30 20 BFED Cc1cc(COc2cc(F)cc(C#N)c2)on1 334249911 XVYGBGLASUQDHI-UHFFFAOYSA-N 232.214 2.573 30 20 BFED C[C@H]1C[C@H]1CC(=O)Nc1ccc(C#N)cc1 334603681 KRILDMMBJNKXMN-ONGXEEELSA-N 214.268 2.543 30 20 BFED C[C@@H](C(=O)N1CCC(CC#N)CC1)C1CCC1 334768416 KHIGWOUEPJNTER-LLVKDONJSA-N 234.343 2.575 30 20 BFED C=CC(C)(C)C(=O)N1CC[C@@H](C)[C@@H](C)C1 334787464 DJUUNRKGXOMOKQ-MNOVXSKESA-N 209.333 2.703 30 20 BFED CC1(C)CC[C@@H](Oc2ccc(C#N)cc2F)C1=O 334812938 QXTCFYVLPTZGIK-GFCCVEGCSA-N 247.269 2.834 30 20 BFED C[C@@H]1CC[C@@H](C(=O)NCc2ccc(C#N)s2)C1 335042894 ITMCQHRNDSHWEN-NXEZZACHSA-N 248.351 2.672 30 20 BFED C=C[C@@H]1CCCCN1CC1CCC(=O)CC1 335194076 KCSKSONMQUNKMX-CYBMUJFWSA-N 221.344 2.786 30 20 BFED C=C[C@H]1CCCCN1C(=O)NC1CC(C)(F)C1 335446223 UGUZIWNGIGNRDK-AKJDGMEZSA-N 240.322 2.627 30 20 BFED Cc1cscc1NC(=O)NCC(C)(C)C#N 335902444 QXJJPZKZOUXJMQ-UHFFFAOYSA-N 237.328 2.728 30 20 BFED C=C(C)CCN1CCC(F)(F)[C@@H](C)C1 336392951 JIKSHJOJUYWBPW-JTQLQIEISA-N 203.276 2.930 30 20 BFED CCC(C)(C)[C@H]1CCCN1C(=O)[C@H](C)C#N 336402977 TYHLEEMHMVKDER-GHMZBOCLSA-N 222.332 2.573 30 20 BFED CCCC[C@@H](C)C(=O)N(C)[C@H](C)CC#N 336694642 GKVZDTNOAZXQIT-GHMZBOCLSA-N 210.321 2.573 30 20 BFED N#CCCCCN1CC[C@@H]1Cc1ccccc1 336710316 QNOAFSOTOZMXCN-OAHLLOKOSA-N 228.339 2.997 30 20 BFED C=C1CCN(CCCC2(C#N)CCOCC2)CC1 337188889 QQPVFNDPFVLTNT-UHFFFAOYSA-N 248.370 2.739 30 20 BFED C=CCCO[C@H](C)C(=O)N1CC[C@@](C)(CC)C1 344374401 SUSACLFVERICBA-TZMCWYRMSA-N 239.359 2.616 30 20 BFED Cc1ncc(CN(CCC#N)CCC(C)C)cn1 352024744 IPZFKNQUBXGVIQ-UHFFFAOYSA-N 246.358 2.547 30 20 BFED C[C@H](F)CCN(C)Cc1cccc(C#N)c1 352101893 GLIUUOORDYWPRF-NSHDSACASA-N 220.291 2.738 30 20 BFED C=CCN(CCCOCC(F)(F)F)C1CC1 357531262 QHSCIQFSHXIHJY-UHFFFAOYSA-N 237.265 2.606 30 20 BFED C=CCC1(C(=O)N[C@H]2CC[C@@H](F)C2)CCC1 360363323 OIKCLFLERRFIIR-MNOVXSKESA-N 225.307 2.740 30 20 BFED C=C[C@H](C)NC(=O)Nc1c(F)cccc1OC 360635511 KJIBBZHPJNLEEZ-QMMMGPOBSA-N 238.262 2.530 30 20 BFED CC#CCCNCc1c(C)nn(C(C)(C)C)c1C 360958898 RXDIWMPKDZCSRJ-UHFFFAOYSA-N 247.386 2.758 30 20 BFED C=C[C@@H]1CCCCN1C(=O)C(CC)CC 362210311 AGWCRZKJMGSNRZ-GFCCVEGCSA-N 209.333 2.990 30 20 BFED C=C[C@H](C)NC(=O)[C@@H](C)CC1CCCC1 362588247 PBFTWLCRHSQANI-QWRGUYRKSA-N 209.333 2.894 30 20 BFED N#Cc1cc(CN2[C@H]3C=CC[C@H]2CC3)ccc1F 363487062 CSBVCRPOXHFFJP-KBPBESRZSA-N 242.297 2.990 30 20 BFED CC(C)[C@@H]1CCCN(c2cc(C#N)ncn2)CC1 380725557 HDEQWPUCCHGVCT-GFCCVEGCSA-N 244.342 2.611 30 20 BFED C=CCCCCC[C@@H](C)NCCN(C)C 389964690 WZVWTHBYEMGXRI-CYBMUJFWSA-N 212.381 2.663 30 20 BFED N#CCc1cc(-c2ccsc2)nn1CCF 409443656 QVMQSELSBJTEMV-UHFFFAOYSA-N 235.287 2.647 30 20 BFED C=CC[C@H](CC)NC(=O)[C@@H](C)CC(F)F 412318649 QREFLMZVKAFXHB-IUCAKERBSA-N 219.275 2.749 30 20 BFED N#Cc1ncccc1NCCC1CC(F)(F)C1 413341989 UUUYEJNDOJAXAI-UHFFFAOYSA-N 237.253 2.801 30 20 BFED C=CC[C@H](C)N[C@@H](C)C1(OC)CCCC1 421841647 JGEGHTKOXLKHOQ-RYUDHWBXSA-N 211.349 2.888 30 20 BFED C=CCC[C@H](CC)N[C@@H]1CCCC[C@H]1N 424372466 HUXMUWGMYKBMNL-YNEHKIRRSA-N 210.365 2.591 30 20 BFED C[C@H]1C[C@@H](C(=O)N(C)C2(C#N)CCC2)CC[C@H]1C 448784667 JZORTBURMRXJAX-AGIUHOORSA-N 248.370 2.963 30 20 BFED CC[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)c1ccccc1F 448894735 MOKQBRHCHWEHLY-XWIASGKRSA-N 246.285 2.553 30 20 BFED C[C@H](Cc1coc2ccccc12)NCCC#N 449285693 FOXDDRRJPYRBMY-LLVKDONJSA-N 228.295 2.867 30 20 BFED C[C@H](NCC1(C#N)CC1)c1ccc([N+](=O)[O-])cc1 451101689 FJDPEHHAPQJWEW-JTQLQIEISA-N 245.282 2.549 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccccc1C 451601883 CBRYVQPLNFUCJF-CFVMTHIKSA-N 231.339 2.989 30 20 BFED C=CCCCC(=O)Nc1cnc2n1CCCC2 452331042 BXKGEJHNKWEMPY-UHFFFAOYSA-N 233.315 2.514 30 20 BFED C=CC(C)(C)CNC(=O)[C@H]1CC=CCC1 452773266 AJDCVMMWNPBRLZ-NSHDSACASA-N 207.317 2.671 30 20 BFED C=CC(C)(C)CNC(=O)c1coc(CCC)n1 456113305 GCTDRCBFWUYHTO-UHFFFAOYSA-N 236.315 2.569 30 20 BFED C=C(C)CCNC(=O)c1c(C)nn(CCC)c1C 456126371 XLUMIYKFCHPOKG-UHFFFAOYSA-N 249.358 2.606 30 20 BFED C=C[C@H]1CCCCN1C(=O)[C@@H](C)OCCCC 488820698 UOBCEABETNJYTL-OLZOCXBDSA-N 239.359 2.759 30 20 BFED C=CCCCS(=O)(=O)N[C@@H](C)C[C@@H](C)CC 489559021 WYJBZDICPSEYAW-RYUDHWBXSA-N 247.404 2.697 30 20 BFED CN(CCC#N)C(=O)/C=C\c1ccc(Cl)cc1 491201014 SAXOIVRJNYBTPZ-YVMONPNESA-N 248.713 2.725 30 20 BFED 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Cc1ccc(/C=C/C(=O)N(C)C[C@@H](C)C#N)cc1 68226217 FQQBRTSRMAWQFX-XEHSLEBBSA-N 242.322 2.626 30 20 BFED C#CCNC(=O)N[C@H](c1ccccc1C)C(C)C 69916586 WCRDSFVRRDDRIB-AWEZNQCLSA-N 244.338 2.625 30 20 BFED C=CCN(C)CCOc1cccc(Cl)c1 70758434 WKWHAUCGNBSYIK-UHFFFAOYSA-N 225.719 2.837 30 20 BFED CC#CCSc1nc2ncc(Cl)cc2[nH]1 78924205 DMBCDYRFIJNOGK-UHFFFAOYSA-N 237.715 2.727 30 20 BFED C[C@H](Cc1ccco1)Nc1cccc(C#N)n1 80117674 AFKFSOGGOJTFFF-SNVBAGLBSA-N 227.267 2.589 30 20 BFED C[C@@H](CCO)SCc1ccc(C#N)cc1 83812269 KCPLVEQWHLAIPL-JTQLQIEISA-N 221.325 2.562 30 20 BFED C[C@H](CC#N)N(C)Cc1ccnc2ccccc12 92347706 INAVQWPZUMPMOM-GFCCVEGCSA-N 239.322 2.969 30 20 BFED Cc1nsc(N[C@@H](C)c2ccccn2)c1C#N 92912301 KYHAAUKTLGHDJM-VIFPVBQESA-N 244.323 2.891 30 20 BFED C=CC1CCN(Cc2cccc3c2OCO3)CC1 93359201 LOAGSIOIPZVGFA-UHFFFAOYSA-N 245.322 2.813 30 20 BFED CC#CCN1CCC(COc2ccccc2)CC1 119874578 IDWNDOFBQIHZCP-UHFFFAOYSA-N 243.350 2.801 30 20 BFED C#CCCCCC(=O)N(C(C)C)C1CCC1 120194389 HJBFVKBDJVIRSI-UHFFFAOYSA-N 221.344 2.970 30 20 BFED C=CCC[C@@H](O)CN1c2ccccc2C[C@H]1C 120792672 JIWLXJSLVSTQNL-TZMCWYRMSA-N 231.339 2.765 30 20 BFED CCn1nc(C)c(NCc2ccc(C#N)o2)c1C 124434924 SLSZNNZUKGIEBJ-UHFFFAOYSA-N 244.298 2.597 30 20 BFED N#Cc1cccc(CNC(=O)C2=CCCCC2)c1 126054459 XKWCMIYWEWNKLT-UHFFFAOYSA-N 240.306 2.675 30 20 BFED CC1(CC(=O)NC(C)(C)C#N)CCCCC1 128356144 UWKWOHFETRBLEW-UHFFFAOYSA-N 222.332 2.765 30 20 BFED CC(C)Oc1ccc(NC(=O)C2CC2)cc1C#N 130912813 DPWLSLGOPTVXMU-UHFFFAOYSA-N 244.294 2.694 30 20 BFED C=CCN(Cc1ccccc1)C(=O)[C@@H](C)OCC 131198547 UHKQVYADBVYRBA-CYBMUJFWSA-N 247.338 2.626 30 20 BFED C=CCNc1ccc(F)c(NC(=O)OC)c1 133222269 UNXOSYDPTRGLSE-UHFFFAOYSA-N 224.235 2.602 30 20 BFED C=C[C@](C)(CC)C(=O)N(C)CCC1CC1 135138015 IWQXFYXQRZSHPD-CYBMUJFWSA-N 209.333 2.847 30 20 BFED N/C(COc1ccccc1)=N/OCC1CCCC1 151691486 GBHZENRDFHFIDS-UHFFFAOYSA-N 248.326 2.544 30 20 BFED CCc1ccccc1C(=O)N(CC)C[C@@H](C)C#N 152835229 YAYBNFJLKMDNGC-LBPRGKRZSA-N 244.338 2.871 30 20 BFED C=CCn1nc(C(C)(C)C)c(CCC#N)c1O 153463501 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CCCOCC(=O)O[C@@H](C)c1ccc(C#N)cc1 175765017 BKFAESQGBPXLJE-NSHDSACASA-N 247.294 2.589 30 20 BFED CC[C@H](C)Oc1ccc(C(=O)N[C@H](C)C#N)cc1 175875233 KPURZGYVORRDPB-MNOVXSKESA-N 246.310 2.506 30 20 BFED CC(C)C[C@@H](C)OCCC(=O)OCCCC#N 176822664 YKRVUBKLERCGGF-GFCCVEGCSA-N 241.331 2.675 30 20 BFED CCCCNC(=O)Nc1cccc(C#N)c1C 178549106 VIOHCVPPTAWPKQ-UHFFFAOYSA-N 231.299 2.788 30 20 BFED C#CCCCCC(=O)N(CCC#N)CC(C)(C)C 180058219 YBKPAKNZHUTGHV-UHFFFAOYSA-N 248.370 2.968 30 20 BFED C=C(C)CN(C)Cc1cnc2ccc(C)cn12 181044617 AINKHELXHMQNDB-UHFFFAOYSA-N 229.327 2.651 30 20 BFED CC#CCNc1c(F)cccc1N1CCCC1 182306584 IGDLDUQPPWSKMU-UHFFFAOYSA-N 232.302 2.861 30 20 BFED C=CCCC[C@H](C)NC(=O)c1cccnc1OC 182644656 JSKGSFSKIRWNCZ-NSHDSACASA-N 248.326 2.565 30 20 BFED C[C@@H](C#N)CN[C@H](C)CSC(C)(C)C 183823916 HEQPPBHFUVNEHM-VHSXEESVSA-N 214.378 2.656 30 20 BFED C#CCC(C)(C)C(=O)N(CC)C[C@H](C)CC 185970898 DKXZCNYLRGEDTI-GFCCVEGCSA-N 223.360 2.931 30 20 BFED CC(C)(C)c1noc(CSCCCC#N)n1 190910194 AVEHGHIRWYESJQ-UHFFFAOYSA-N 239.344 2.904 30 20 BFED C#CCN(C)C(=O)[C@H](C)Cc1ccccc1Cl 191034701 FAGDNBQQCKRWPJ-LLVKDONJSA-N 249.741 2.610 30 20 BFED C#CCCCC(=O)N[C@@H]1CCC[C@@H]1SCC 192370099 CITSYRGAOFXWSK-NEPJUHHUSA-N 239.384 2.580 30 20 BFED CCC[C@H](CC)NC(=O)N1CCC(C#N)CC1 195328294 CTDSCLIEMHMMDJ-LBPRGKRZSA-N 237.347 2.510 30 20 BFED C=CCCOc1cc(/C=C\C(=O)O)ccc1OC 217221852 AYVFPACKSVZDDU-VURMDHGXSA-N 248.278 2.748 30 20 BFED C#CCN(CC1CC1)C(=O)[C@@H](C)c1ccccc1 228863916 UJIMRDKWCQQTHF-ZDUSSCGKSA-N 241.334 2.662 30 20 BFED C#C[C@@H](CC)Nc1nc(Cl)cs1 230000478 UBDCDZIOOHYLJO-LURJTMIESA-N 200.694 2.620 30 20 BFED C=C(C)CN[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 249178219 GJQDUEPLRQTIHZ-GOEBONIOSA-N 244.382 2.673 30 20 BFED CCON=Cc1c(C)[nH]c2ccccc12 254300845 RUMVSNUTJCJULV-UHFFFAOYSA-N 202.257 2.847 30 20 BFED Cn1cc(/C=C\C(=O)c2cc(F)cc(F)c2)cn1 255195781 ZWCDMZAPRWKTRU-IHWYPQMZSA-N 248.232 2.594 30 20 BFED CCOCC/N=C(\N)Nc1cccc(C(C)C)c1 264149661 YYLOSKRQHDLDHT-UHFFFAOYSA-N 249.358 2.573 30 20 BFED C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(CC#N)c1 264183364 BJXAPLMBQNMFFN-RISCZKNCSA-N 242.322 2.671 30 20 BFED C#CCCCN1CC[C@@H](c2ccc(OC)cc2)C1 271047417 ORNHHNGOXAJTBG-OAHLLOKOSA-N 243.350 2.898 30 20 BFED CC(C)[C@H]1C[C@@H](Nc2cccc(C#N)n2)CCO1 271429682 MUYFKFYPDQGHTQ-WCQYABFASA-N 245.326 2.569 30 20 BFED COc1cccc(C2(NCCCC#N)CC2)c1 271710417 NUCATCAADPKZAO-UHFFFAOYSA-N 230.311 2.578 30 20 BFED C#CC[C@H](NCCOC(C)C)c1ccccc1 271739489 UZHSUHYFFIWBML-HNNXBMFYSA-N 231.339 2.766 30 20 BFED C=CCN(CCc1ccco1)Cc1nccs1 272240484 GLCBIKVLIVQSCL-UHFFFAOYSA-N 248.351 2.967 30 20 BFED Cc1ccnc(N2CCC3(CCC3)C2)c1C#N 273425492 ZMTIZKBJVRFTAY-UHFFFAOYSA-N 227.311 2.642 30 20 BFED CC#CCCCC(=O)NCCCC(F)(F)F 274372575 WLIQNGWNEVIMOC-UHFFFAOYSA-N 235.249 2.639 30 20 BFED C=CCCN(C)C(=O)CCC(=O)c1ccccc1 276219571 DAWPHCVTZRBBIW-UHFFFAOYSA-N 245.322 2.684 30 20 BFED Cc1ccccc1OCCN(C)[C@H](C)CCC#N 276258261 AQWYFNCYFIDRRP-CQSZACIVSA-N 246.354 2.998 30 20 BFED C=CCCN(C)C(=O)c1ccccc1OCC=C 276462508 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C=CCCCCNC1CCN(C(C)C)CC1 309241238 WVXFMLPAOYSAMT-UHFFFAOYSA-N 224.392 2.805 30 20 BFED C=CCCNc1cc(C(=O)OC)ccc1F 309642361 LBRWSBOLIFKWRD-UHFFFAOYSA-N 223.247 2.600 30 20 BFED C=CCC[C@@H](CO)N[C@@H](C)c1cc(C)ccc1O 321450407 NWLULTPUIHRHFO-STQMWFEESA-N 249.354 2.678 30 20 BFED C[C@@H]1C[C@]1(C#N)C(=O)N(C)C1CCCCCC1 334542739 YVXFZGQLALWDHH-BXUZGUMPSA-N 234.343 2.717 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)Nc1cscc1C 334652165 RXOROECWRYYJJA-KOLCDFICSA-N 237.324 2.586 30 20 BFED CC1(C)CCC[C@H]1NC(=O)NCC1(C#N)CCC1 334958031 XJSOYDHOVMIOPZ-LLVKDONJSA-N 249.358 2.558 30 20 BFED N#C[C@@H]1N(CC2CCC2)CCC[C@@]12CCCCO2 335748467 SXKPNLBCKUOJBS-GJZGRUSLSA-N 248.370 2.714 30 20 BFED N#CCc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1 335833780 KITPRQPYBCBSGH-JSGCOSHPSA-N 225.295 2.857 30 20 BFED Cc1nc(CN[C@H]2CCC[C@@H]2C#N)c(C)s1 336145095 UQAOIPOSDFLYHG-MNOVXSKESA-N 235.356 2.542 30 20 BFED N#Cc1cnc2ccccc2c1N1CC[C@H](F)C1 336189143 FBEBRHBCRQFCNZ-NSHDSACASA-N 241.269 2.655 30 20 BFED CCO[C@@H]1CCN(c2ccc(C#N)cc2)C[C@H]1C 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C=CC[C@@H](C)NC(=O)c1cc(C#N)ccc1Cl 352993086 YDXSAIAWMUYJLF-SECBINFHSA-N 248.713 2.906 30 20 BFED C=CCOCCCC(=O)N(CC)CCC1CC1 354842859 FZZYHBONIYXZFT-UHFFFAOYSA-N 239.359 2.618 30 20 BFED C=CC[C@@H](CC)Nc1ccc(C(=O)N(C)C)cn1 357683003 GDBWHGWMNDWJER-GFCCVEGCSA-N 247.342 2.550 30 20 BFED C=C(C)Cn1c(C)nnc1N(CC)CC1CCC1 358822192 ATDLRDNGMFITJD-UHFFFAOYSA-N 248.374 2.789 30 20 BFED N#Cc1cccnc1N1CCc2c(F)cccc21 359239810 IJCNYLPFORXDSA-UHFFFAOYSA-N 239.253 2.787 30 20 BFED CC(C)C[C@H]1CCN(C(=O)CCCC#N)C1 360328747 PBEYDCFYMXTVHX-GFCCVEGCSA-N 222.332 2.575 30 20 BFED C=C(C)CCNCc1cnc2ccccc2n1 386741616 DNGMTNXWLLKCHN-UHFFFAOYSA-N 227.311 2.686 30 20 BFED CSC1(CNCC2(C#N)CCC2)CCC1 418140558 JSHYSYWWMDKYEB-UHFFFAOYSA-N 224.373 2.556 30 20 BFED C[C@@H]1CN(CCCSCC#N)[C@@H](C)[C@H]1C 419336321 ABSOWVFYTJEHKY-WOPDTQHZSA-N 226.389 2.610 30 20 BFED N#C[C@@H]1CC[C@@H](NC[C@H]2C[C@H]3C=C[C@H]2CC3)C1 421349408 JBOQYOMJBLJTSA-XPABHHOTSA-N 230.355 2.871 30 20 BFED C=CCCCCNC(=O)N[C@@H]1CC[C@H](C)C1 436379190 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C#CCN(CC#N)C(=O)[C@@H](C)CC1CCCCC1 281474982 HAZSVRNNPNXBOH-ZDUSSCGKSA-N 246.354 2.578 30 20 BFED COCC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccco1 282455599 VGVKXVULMKCECA-UPJWGTAASA-N 248.326 2.639 30 20 BFED C=C(C)CN(CC)C(=O)c1ocnc1C1CC1 288636570 WZVIYEIVQBIWOW-UHFFFAOYSA-N 234.299 2.590 30 20 BFED C#CCCCCN[C@H](C)c1ccc(OC)c(O)c1 290712341 NZOKTFHBSWZNPP-GFCCVEGCSA-N 247.338 2.855 30 20 BFED Cc1nc(N2CCC3(CCC3)C2)ccc1C#N 291827385 GGBMVMOVVSZAIR-UHFFFAOYSA-N 227.311 2.642 30 20 BFED Cc1cc(CN(C)C[C@@H](C)C#N)ccc1N(C)C 292969968 DLCLQXHOFOVXGO-LBPRGKRZSA-N 245.370 2.653 30 20 BFED C=CCN(CC=C)C(=O)[C@@H](C)SCC(C)C 298041149 JDZKFKSHDWNJTC-GFCCVEGCSA-N 241.400 2.965 30 20 BFED CCSCCCNCc1cc(C#N)cs1 300922443 LJEAAZHNRIGDNU-UHFFFAOYSA-N 240.397 2.853 30 20 BFED N#Cc1ccccc1Oc1ncncc1Cl 302560985 MWFXQMKUIYPSCK-UHFFFAOYSA-N 231.642 2.794 30 20 BFED C[C@H]1CCN(CCO[C@H](C)C#N)c2ccccc21 305965866 AYDHNFOAPWTOIJ-QWHCGFSZSA-N 244.338 2.929 30 20 BFED CO[C@H](C)CCC(=O)Nc1cc(C)cc(C#N)c1 308211237 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2.732 30 20 BFED C=C(C)C(C)(C)C(=O)N1CCO[C@@](C)(CC)C1 335150692 FEWBJRUPQKDMOH-AWEZNQCLSA-N 239.359 2.616 30 20 BFED CC1=C(C)C[C@H](C(=O)N[C@@H](C#N)C(C)C)CC1 335420564 YNKJMUSOTLYOMZ-OLZOCXBDSA-N 234.343 2.787 30 20 BFED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)C(F)(F)F 335810049 HGKDWCULEQAHBB-RKDXNWHRSA-N 235.249 2.752 30 20 BFED C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(CC#N)c2)C1 336013608 TWDBMJPVEYMKMG-VXGBXAGGSA-N 242.322 2.623 30 20 BFED C=C[C@@H](C)Nc1ccnc2nc(C)ccc12 336778330 LBPIOPYMAWKULW-SECBINFHSA-N 213.284 2.925 30 20 BFED C=CCn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](C)C1 337811847 LNOJVAWMSBMAQN-TXEJJXNPSA-N 248.374 2.680 30 20 BFED C=CCCC(=O)NCCc1cc(F)cc(F)c1 338648211 VZJJRUAGHDIMNE-UHFFFAOYSA-N 239.265 2.590 30 20 BFED C=C(C)Cn1c(C(C)C)nnc1N1CC[C@H](C)C1 338827338 IEHQSEUKVDTRBD-LBPRGKRZSA-N 248.374 2.824 30 20 BFED C=CC[C@@H](CO)CN[C@@H](C)c1ccc(F)cc1 341891737 VUWLXYHYVCMTKN-NWDGAFQWSA-N 237.318 2.661 30 20 BFED CCOC[C@@H](C)NC1(c2cccc(C#N)c2)CC1 342811854 INWWPCMTVUNJBB-GFCCVEGCSA-N 244.338 2.562 30 20 BFED C=CCN(CCCN(CC=C)C1CC1)C1CC1 357557989 ZHWFGQWBVJFCHY-UHFFFAOYSA-N 234.387 2.677 30 20 BFED C[C@H](C#N)C(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C 357841314 VUTJIVYWKVDNNR-WOPDTQHZSA-N 236.359 2.867 30 20 BFED C=C(CC)CSCC(=O)NCCCC 358634780 LSEGYSNPEMUIQK-UHFFFAOYSA-N 215.362 2.602 30 20 BFED CC[C@@H](C)CC(=O)Nc1cc(C#N)ccc1OC 359446154 YNEXLGZWQAMWSO-SNVBAGLBSA-N 246.310 2.942 30 20 BFED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1C1CC1 371731639 DWDMLRVQJXNBTN-ZYHUDNBSSA-N 222.332 2.535 30 20 BFED C=CC[C@@H](NCc1ccsc1Cl)C(=O)O 380085408 HKLFRTTXHGBKNB-MRVPVSSYSA-N 245.731 2.520 30 20 BFED CCCCNN=Cc1ccc(Cl)o1 382319537 SPTLOEGDJNYWNK-UHFFFAOYSA-N 200.669 2.657 30 20 BFED C#C[C@@](C)(CC)NC(=O)C1CCCCCC1 395210983 KIDOUBKICBRQKG-AWEZNQCLSA-N 221.344 2.875 30 20 BFED CCC(C)(C)CC(=O)N[C@@H]1CCC[C@@H]1C#N 408331342 QXMOFPMDQJTSSR-GHMZBOCLSA-N 222.332 2.621 30 20 BFED Cc1nsc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c1C#N 413452969 HJIFDKJZTVRCAD-WCABBAIRSA-N 233.340 2.924 30 20 BFED CC(C)OCCSCC1(C#N)CCC1 419399681 JIOJNGHBWAQBMK-UHFFFAOYSA-N 213.346 2.838 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1cn(C)nc1C 424643852 QBVXRYPYORPRNY-JTQLQIEISA-N 249.358 2.508 30 20 BFED C=C(C)C(C)(C)C(=O)N(C)CC1CCC1 424660566 HKUKFJOSHIAKNF-UHFFFAOYSA-N 209.333 2.847 30 20 BFED CCc1ccnc(CNc2ncccc2C#N)c1 435603650 KTGYVRUSWCMLIP-UHFFFAOYSA-N 238.294 2.523 30 20 BFED C=C(C)CCNCc1ccccc1OCCOC 449478401 RSACTUXPXGRRMQ-UHFFFAOYSA-N 249.354 2.768 30 20 BFED C=CC(C)(C)CN[C@@H]1CCN(CC)C[C@@H]1C 449484585 IBTPWVDUCUMHQD-QWHCGFSZSA-N 224.392 2.519 30 20 BFED C=CCC(C)(C)c1noc([C@@]2(C#N)C[C@@H]2C)n1 453183727 GKOIOOBOGJTOPF-TVQRCGJNSA-N 231.299 2.724 30 20 BFED C=CCC[C@@H](C)NCCCCN(C)C1CC1 453397624 JSFWBRXDGWZXIM-CYBMUJFWSA-N 224.392 2.805 30 20 BFED C=C[C@H](C)NC(=O)C1=CCC(C)(C)CC1 455947502 OONKCMLDERTGLM-JTQLQIEISA-N 207.317 2.814 30 20 BFED C=CC(C)(C)C(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1 456236260 ANCIQGREXXMODH-STQMWFEESA-N 233.355 2.846 30 20 BFED C=CC[C@H](CO)CNC1CC(C(C)(C)C)C1 459460140 ITRJAIQXEOAGSU-HIFPTAJRSA-N 225.376 2.585 30 20 BFED C[C@H]1C[C@]1(C#N)C(=O)N(C)[C@H](C)c1ccccc1 459889776 XHQVUNDQPFUUNP-YWPYICTPSA-N 242.322 2.756 30 20 BFED C#CCN(CC)C(=O)N[C@@H]1CCCCC1(C)C 490818833 CJOCDFIRQXSCKB-GFCCVEGCSA-N 236.359 2.620 30 20 BFED C#CCN(C)C(=O)c1ccccc1SCC 491633950 SAFIKDAWXKCSEK-UHFFFAOYSA-N 233.336 2.504 30 20 BFED CC(C)(CC#N)CNC(=O)[C@H]1CC[C@H](C)CC1 515352811 QDMFIOQCWNZURH-HAQNSBGRSA-N 236.359 2.869 30 20 BFED C=CCCC(=O)Nc1cc(O)ccc1C 529923671 OFTCLBUFSDIARD-UHFFFAOYSA-N 205.257 2.605 30 20 BFED Cc1ccncc1C(=O)Nc1sccc1C#N 558609664 UADQWHWHQCYRKE-UHFFFAOYSA-N 243.291 2.576 30 20 BFED C=CCCCCNC(CC)(CC)CCO 562709386 PHMMGBQNJKWTJP-UHFFFAOYSA-N 213.365 2.874 30 20 BFED CCC(CC)c1cc(CNCCC#N)on1 562997186 WCPBWIAFWOJDEY-UHFFFAOYSA-N 221.304 2.581 30 20 BFED CC[C@@H]1CCCN(c2ccc(C#N)c(N)n2)CC1 573742781 ZESACVXMWNRIIX-LLVKDONJSA-N 244.342 2.552 30 20 BFED C=CCOc1ccccc1CN[C@@H]1C[C@@H]1OCC 582525662 HSDDVONKONKQOX-HIFRSBDPSA-N 247.338 2.518 30 20 BFED C=CCCCCCN(C)c1ccc(C#N)c(N)n1 583641392 OHJQVGWOPLIUCF-UHFFFAOYSA-N 244.342 2.718 30 20 BFED N#Cc1ccccc1NC(=O)[C@@H]1C[C@H]1C1CCC1 584116117 KATKDCDZCRLYAS-QWHCGFSZSA-N 240.306 2.933 30 20 BFED Cc1ccc(F)cc1/C=C\C(=O)c1cnn(C)c1 588394423 VZAJZUIHPZFQIV-XQRVVYSFSA-N 244.269 2.764 30 20 BFED C/C=C(\CC)C(=O)N(CCC#N)CC(F)(F)F 588572177 MBNBAWUJEZLHEM-YCRREMRBSA-N 248.248 2.647 30 20 BFED CC[C@@H](C#N)C(=O)N(C)[C@@H]1CCc2ccccc21 593397634 NHCLKNNZPCJGCJ-SMDDNHRTSA-N 242.322 2.682 30 20 BFED CC[C@H](CC#N)NC[C@@H](OC)c1ccccc1 594006605 JNFGVLKJGVIXGT-ZIAGYGMSSA-N 232.327 2.656 30 20 BFED N#CC1(C(=O)N2C[C@@H]3CCCC[C@@H]32)CCCCC1 597828730 IKWXKAORDLRMFE-STQMWFEESA-N 246.354 2.861 30 20 BFED C=CCCSCCNC(=O)[C@H](C)C(C)C 597972719 PBZDNCAOPKEHNS-LLVKDONJSA-N 229.389 2.704 30 20 BFED CC[C@@H](NC(=O)c1sccc1C#N)C1CC1 598233207 MBRLLDGDYWTZOE-SNVBAGLBSA-N 234.324 2.538 30 20 BFED N#CCCN(Cc1cncc(Cl)c1)CC1CC1 598596969 VCLBDSRFEOOIKU-UHFFFAOYSA-N 249.745 2.861 30 20 BFED COC(=O)c1ccc(SCCCC#N)cc1 600835765 JMOWYGLKUZMDCJ-UHFFFAOYSA-N 235.308 2.869 30 20 BFED COc1ncc(C)cc1NC[C@H](C)CCC#N 602575699 WTRDGJJXQOBTRT-SNVBAGLBSA-N 233.315 2.750 30 20 BFED C[C@@H]1C[C@H](CCNc2ncccc2C#N)CCO1 612103664 FRKAVINNLHYCEA-VXGBXAGGSA-N 245.326 2.570 30 20 BFED COCC#CCSCc1cccc(C)c1 613275591 XDYPEAAPDIDNEA-UHFFFAOYSA-N 220.337 2.878 30 20 BFED C=CCCC(=O)N1CCC[C@H](CC=C)C1 617784745 ZBKIAYRALWXZAE-LBPRGKRZSA-N 207.317 2.767 30 20 BFED C=CCN(C(=O)c1coc(CC)n1)C(C)(C)C 622945263 ZICULBVTTSSRAV-UHFFFAOYSA-N 236.315 2.664 30 20 BFED C=CCCOCCNCc1c(C)cccc1OC 638811461 APAUZCKWSMZWOQ-UHFFFAOYSA-N 249.354 2.686 30 20 BFED C=CCC1(NCc2cn[nH]c2)CCCCC1 648777347 FORWULMCDAKMIS-UHFFFAOYSA-N 219.332 2.778 30 20 BFED C=C(C)c1ccc(S(=O)(=O)C(C)(C)C)nc1 649444221 IWLIQXCLCIZJIG-UHFFFAOYSA-N 239.340 2.687 30 20 BFED C=CCCNC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 663416819 XMSBOWKIOIXMMB-QJPTWQEYSA-N 224.348 2.686 30 20 BFED C=CC[C@@H]1CCCN(c2nc(C)cc(OC)n2)C1 664253194 KCKRRULLYVZCNR-GFCCVEGCSA-N 247.342 2.586 30 20 BFED C=C[C@](C)(CC)C(=O)N1CCC[C@H]2C[C@H]21 672131481 LGCPNGJUQWKRLY-DMDPSCGWSA-N 207.317 2.600 30 20 BFED CC#CCCNC(=O)c1cc(C)sc1C 680456596 HHCHGFRRYPGSNH-UHFFFAOYSA-N 221.325 2.508 30 20 BFED N#Cc1cccc(N[C@@H]2C=CCC2)c1[N+](=O)[O-] 698279330 VKCDYRABOIIOOZ-SNVBAGLBSA-N 229.239 2.597 30 20 BFED C=CC[C@H]1CCCN(C(=O)C=C(C)C)C1 705893079 MFPMEFODJSPPCC-LBPRGKRZSA-N 207.317 2.767 30 20 BFED CCO[C@@H]1CCC[C@@H](N[C@H](CC)CC#N)C1 721167624 MEOIQPREJHJWFQ-JHJVBQTASA-N 224.348 2.616 30 20 BFED CC(C)c1ccc(C=NNC(=S)N(C)C)cc1 731563369 YTZNIKCIAWDCHO-UHFFFAOYSA-N 249.383 2.580 30 20 BFED C=C(Cl)CNC(=S)N[C@H]1CCCC[C@H]1C 735981589 JXEHMOYPGURTSO-SCZZXKLOSA-N 246.807 2.782 30 20 BFED N#Cc1c[nH]c(C(=O)OCCC2CCCC2)c1 748228085 RXKRNZAMEAAGSS-UHFFFAOYSA-N 232.283 2.623 30 20 BFED Cc1ccc([C@@H]2CCCC2=NN[C@H](C)CO)cc1 749818547 YLCVMWOPZFBJKJ-OCCSQVGLSA-N 246.354 2.589 30 20 BFED CCCCCCCC(=O)N1CCc2c[nH]nc2C1 750727171 QMTWWIDVGCRXIL-UHFFFAOYSA-N 249.358 2.655 30 20 BFED N#Cc1cccc(COC(=O)[C@@H]2C[C@@H]2C2CC2)c1 751741246 WFEHPAXNHHWUQA-ZIAGYGMSSA-N 241.290 2.648 30 20 BFED C#C[C@@H](CC)NC(=O)NC[C@H](CC)CCCC 753059707 HWAMPDJBWXKDLI-OLZOCXBDSA-N 238.375 2.914 30 20 BFED C#C[C@@H](CC)NC(=O)N[C@@H](C)CCC(C)C 753243574 PWJWQJNPVIEXKG-RYUDHWBXSA-N 224.348 2.522 30 20 BFED C=C[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O 756651937 ZYHMGTWELSIDNR-DTWKUNHWSA-N 236.271 2.526 30 20 BFED Cc1cc(O)c(CNCC(C)(C)C#N)cc1C 757907626 WIHXMPGYZGZZAS-UHFFFAOYSA-N 232.327 2.648 30 20 BFED CCOc1ccc(O)c(/C=N\C2CC=CC2)c1 759644322 RKQBDQVATYOCBW-GDNBJRDFSA-N 231.295 2.928 30 20 BFED C[C@@H](C#N)OC(=O)c1cc(F)c(F)cc1Cl 765960760 WYALILAZJSXQJJ-YFKPBYRVSA-N 245.612 2.687 30 20 BFED CCN(CC#N)C(=O)C(C)(C)C1CCCCC1 766390521 MCRUZVOLHGCIGG-UHFFFAOYSA-N 236.359 2.965 30 20 BFED CON=Cc1cc(C)n(Cc2ccco2)c1C 767489859 HEWHONCNCBZZDU-UHFFFAOYSA-N 232.283 2.727 30 20 BFED C=CCC(CC=C)C(=O)OCC1(C#N)CC1 775866121 YXCIYURDJYPDIK-UHFFFAOYSA-N 219.284 2.602 30 20 BFED Cc1cc(C#N)ccc1CONC(=N)CC(C)C 776743830 VSOVEKKBAXWVNP-UHFFFAOYSA-N 245.326 2.911 30 20 BFED C[C@@H](NC(=O)OCC1CC1)c1cccc(C#N)c1 785112923 AARZIRUTQHCMEP-SNVBAGLBSA-N 244.294 2.755 30 20 BFED C/C(=C\C(=O)NCCC#N)c1cccc(Cl)c1 787619166 DMWYIPPFCGKEOD-CSKARUKUSA-N 248.713 2.773 30 20 BFED CC(=NNc1nccn1C)c1sccc1C 790302754 YFYYOXFWTFLXCO-UHFFFAOYSA-N 234.328 2.626 30 20 BFED CC(C)n1cc(C=NN[C@H](C)C(C)(C)C)cn1 793115964 QIRPZGZWZGAKJN-LLVKDONJSA-N 236.363 2.822 30 20 BFED CC[C@@H](C)CON=C(C)c1ccnc(OC)c1 793145378 IUBFPPQBBZONTK-SNVBAGLBSA-N 236.315 2.877 30 20 BFED CCC(=NNc1cccc(Cl)n1)c1cn[nH]c1 793175126 OMEYEWITNZWEDE-UHFFFAOYSA-N 249.705 2.684 30 20 BFED CCC(=NNc1cncnc1)c1ccc(F)cc1 794976223 HPJZGJIOHHIVKA-UHFFFAOYSA-N 244.273 2.842 30 20 BFED C#C[C@H](NC(=O)N[C@@H](C)CCC1CC1)C(C)C 798544616 CWOOFCQBVOTQDD-AAEUAGOBSA-N 236.359 2.522 30 20 BFED CC(C)C[C@@H](C)C=NNc1cccnn1 799110314 VRQVEPMHBRWIAB-SNVBAGLBSA-N 206.293 2.557 30 20 BFED CC(=NNCC(F)F)c1c(C)cc(C)cc1O 799882117 DPPDLQDNEVDDJX-UHFFFAOYSA-N 242.269 2.588 30 20 BFED CSC1(C=NNc2ccc(C#N)cc2)CC1 800810214 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20 BFED C#CCN(Cc1ccccc1)C[C@@H](OC)C1CC1 823121730 MDMCAYJSRDJZOR-MRXNPFEDSA-N 243.350 2.547 30 20 BFED C=C[C@H](C)ONC(=O)C/C=C\Cc1ccccc1 824232291 HXUGGOXFCVXNHP-WSROAFLRSA-N 245.322 2.798 30 20 BFED C#Cc1ccc(CN[C@H](C)[C@@H](OC)C2CC2)cc1 825099033 RZTNEBGOVWRYMA-MLGOLLRUSA-N 243.350 2.571 30 20 BFED C#Cc1cccc(CN[C@H]2CSC[C@H]2C)c1 825226805 MKZDGKLGMADSCR-RISCZKNCSA-N 231.364 2.509 30 20 BFED C#C[C@H](CC)NCc1cc(Cl)c(C)cc1O 825878950 XLIDEUGRTQRJQN-LLVKDONJSA-N 237.730 2.855 30 20 BFED C#C[C@H](NC(=O)N(C)CC(=C)C)c1ccccc1 827234568 DTSRNISOALYWIQ-AWEZNQCLSA-N 242.322 2.578 30 20 BFED C#Cc1cnc(N[C@@H]2CCCCC2(C)C)nc1 827754103 YNLOQFGNUOSUQM-GFCCVEGCSA-N 229.327 2.839 30 20 BFED C[C@@H](CCC1CC1)NC(=O)C#Cc1cccs1 829565938 GQWKIIHMTSCCEN-NSHDSACASA-N 247.363 2.795 30 20 BFED CCC(CC)CNN=C1C[C@@H](C)O[C@H]1C 834973355 VOURTPSTUFJAKB-ZJUUUORDSA-N 212.337 2.566 30 20 BFED C=C[C@H](CC)OC(=O)[C@@H](Cc1ccccc1)OC 835273447 CQXQTNQIWQFLNJ-ZIAGYGMSSA-N 248.322 2.752 30 20 BFED C#CCCCC(=O)O[C@H](C1CCC1)C1CC1 836045572 AYQBWSGOHBUJDI-CQSZACIVSA-N 220.312 2.912 30 20 BFED C=CC(C)(C)CNC(=O)N[C@@H](C)c1ccc[nH]1 836379864 IRUMXNOPTVLLKY-JTQLQIEISA-N 235.331 2.587 30 20 BFED C=CCCCCCCNC(=O)N1CC[C@H](F)C1 836456262 HRSOWVKIHNAWHX-LBPRGKRZSA-N 242.338 2.876 30 20 BFED COc1c(Cl)cccc1NC(=O)C#CC1CC1 837363557 QOMJPGRLSBGKOX-UHFFFAOYSA-N 249.697 2.701 30 20 BFED CC(C)(C)C#CC(=O)Nc1ccc2c(n1)CCC2 837692193 UKUDCEITBKIXHN-UHFFFAOYSA-N 242.322 2.558 30 20 BFED CC[C@@H](CC(C)C)C(=O)OCCO[C@@H](C)C#N 838251679 JIDRFDYAFKDZCY-RYUDHWBXSA-N 241.331 2.531 30 20 BFED C=CCONC(=O)N1CCC[C@@H](C(C)(C)C)C1 838711037 NXHHMFAJKWLGSR-LLVKDONJSA-N 240.347 2.572 30 20 BFED C=CCC(C)(C)CNC(=S)NCC(C)C 840749146 KMBUSHMSVAKRBT-UHFFFAOYSA-N 228.405 2.709 30 20 BFED Cc1ccc(C#N)cc1OC(=O)OCCCF 841505046 PCRGCSHDKBITOM-UHFFFAOYSA-N 237.230 2.742 30 20 BFED CCC(=NOC1CCOCC1)[C@H]1C[C@H]1C 841634480 QNOQABPEECGYIP-KOLCDFICSA-N 211.305 2.604 30 20 BFED CC(C)[C@@H]1CCCCC1=NN(C)C[C@@H](C)O 841650647 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C#CCONC(=O)[C@H](CCC)CC1CCCC1 855603481 PDZQZRPZJHYQSU-CYBMUJFWSA-N 237.343 2.664 30 20 BFED C=CCCONC(=O)/C(C)=C/C(C)(C)C 856033964 XXLBJPPBSRYWTF-MDZDMXLPSA-N 211.305 2.603 30 20 BFED C#CCCOC(=O)NC1(CC=C)CCCC1 859226052 WJRIAKHUMLYPHL-UHFFFAOYSA-N 221.300 2.625 30 20 BFED CCc1ccc(F)cc1C(=O)OCCCC#N 869804236 IRURCHOFINSFFL-UHFFFAOYSA-N 235.258 2.849 30 20 BFED C[C@@H](CC#N)NCCCSC(C)(C)C 878820332 LKFCEYFUYODPFQ-JTQLQIEISA-N 214.378 2.800 30 20 BFED C=CC(C)(C)CC(=O)OCc1cncs1 884649278 YGVIAHLJRBLRHU-UHFFFAOYSA-N 225.313 2.789 30 20 BFED C#CCN(CC)Cc1c(C)nn(C(C)C)c1C 891806118 VXLONTKSYDIXQT-UHFFFAOYSA-N 233.359 2.536 30 20 BFED Cc1coc(C(=O)[C@H](C#N)c2nc(C)cs2)c1 892416936 BUROCRONHNYTRP-VIFPVBQESA-N 246.291 2.843 30 20 BFED C#Cc1ccc(C(=O)N2CCC(C)=C(C)C2)cc1 897631720 DLWZWQXAKLMIFG-UHFFFAOYSA-N 239.318 2.850 30 20 BFED C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C)cc1 898013113 PRIXJJBLJQBZOO-CHWSQXEVSA-N 241.334 2.929 30 20 BFED C=C(C)CCNc1cnn(CC(F)F)c1 902084491 TXFYLODIEIHBHE-UHFFFAOYSA-N 215.247 2.526 30 20 BFED CC(=NNc1ccc(F)cc1)c1ccc[nH]1 916268239 SBXQHPMZCPMUBH-UHFFFAOYSA-N 217.247 2.990 30 20 BFED C[C@@H](C#N)OC(=O)[C@H](C)SCc1ccccc1 919376938 JOLFJKANSSYWAR-QWRGUYRKSA-N 249.335 2.764 30 20 BFED C=C[C@H](C)NCc1ccc2c(c1)CCCO2 921834585 HVJLAWRWDWOQPW-NSHDSACASA-N 217.312 2.676 30 20 BFED Cc1ccc(C#N)cc1C(=O)OCCCCC#N 924396521 SGZQINXNGOESAE-UHFFFAOYSA-N 242.278 2.717 30 20 BFED CCCCN(C)CCN[C@H](C)CC(C)(C)C#N 925041354 LGWYTMLLMYJXSF-CYBMUJFWSA-N 239.407 2.636 30 20 BFED CC#CCCNC(=O)N1CC[C@@H]2CCCC[C@H]2C1 1116679604 SXNWHLAQQFNOEK-KBPBESRZSA-N 248.370 2.622 30 20 BFED C#CCCCCNC(=O)N(C)CCC(C)(C)C 1118124493 FSXSIYNXEAHLGW-UHFFFAOYSA-N 238.375 2.868 30 20 BFED C=CCCCCN(C)Cc1ccc(C(=O)O)o1 1140947398 LKIDLUOPJZVODK-UHFFFAOYSA-N 237.299 2.766 30 20 BFED CCc1nc(C#N)cc(N2CC[C@@H](CC)[C@@H]2C)n1 1307101835 MEZDMIKQDGZISZ-WDEREUQCSA-N 244.342 2.535 30 20 BFED C#Cc1cccc(N(CC)CC[C@H]2CCOC2)c1 1326502614 OAXWFNGYKMKQSV-HNNXBMFYSA-N 243.350 2.921 30 20 BFED 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30 20 BFED C=CC(C)(C)C(=O)N[C@H]1CC[C@H](SC)C1 1326483182 SKCQPAMRYPNRFF-UWVGGRQHSA-N 227.373 2.599 30 20 BFED CC(C)(C)c1ccc(C#N)c(OCCCF)n1 1331272844 ZAEKMDIFFRHDNW-UHFFFAOYSA-N 236.290 2.989 30 20 BFED CC(C)[C@@H](C#N)C=NOCCC(F)(F)F 1338400763 AIBFKYQIRCAZDY-QMMMGPOBSA-N 222.210 2.737 30 20 BFED C=C(C)CCC(=O)N1[C@H]2CCC[C@H]1CC2 1340101670 NXKMMSXNNCALGJ-RYUDHWBXSA-N 207.317 2.886 30 20 BFED C=CCONC(=O)[C@@H](C)CC1CCCCC1 1345036113 DEJOUTQTWCTMFF-NSHDSACASA-N 225.332 2.827 30 20 BFED Cc1ccccc1-c1nnc(C(C)(C)C#N)o1 1345834141 QEGHPQNOYACBTK-UHFFFAOYSA-N 227.267 2.846 30 20 BFED N#CC[C@H](OC(=O)[C@@]12CCC[C@@H]1C2)c1ccco1 1347949229 SYOZWVMLUDAHSH-SCDSUCTJSA-N 245.278 2.968 30 20 BFED CC[C@H](C#N)N(CC)C(=O)[C@H](C)C1CCCC1 1349906775 MLELJSZRLUFKRQ-DGCLKSJQSA-N 236.359 2.963 30 20 BFED CC[C@H]1CCN(C(=O)C(C#N)(CC)CC)[C@@H]1C 1585518920 YSCXJGQIWOTTFO-NEPJUHHUSA-N 236.359 2.963 30 20 BFED C=CC[C@H](N[C@@H](CCCC)C1CCC1)C(=O)O 1588745124 GFUUBZJSZYRSQS-STQMWFEESA-N 239.359 2.964 30 20 BFED 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2.773 30 20 BFED C[C@@H](CC(F)(F)F)Nc1ccnc(C#N)c1 235111996 IQOZQZSEMJHIJU-ZETCQYMHSA-N 229.205 2.706 30 20 BFED C=CCC(C)(C)C/N=C(\N)N1CCC[C@@H](C)C1 263122949 MFWTXRWLIKOZIQ-GFCCVEGCSA-N 237.391 2.635 30 20 BFED C=CC[C@@H](C)NC(=O)c1cc2c(s1)CCC2 265315731 GUXAGYTXXLICHK-SECBINFHSA-N 235.352 2.931 30 20 BFED C=CCCN(C)Cc1cccc(OC)c1OC 265779259 FSAVWAMJWNEMMF-UHFFFAOYSA-N 235.327 2.712 30 20 BFED C#CC[C@@H](N[C@H](CC)COC)c1ccccc1 271601928 ZPWGQBUISLGXFK-HUUCEWRRSA-N 231.339 2.766 30 20 BFED CC#CCCCC(=O)Nc1cccnc1C 274320108 GBCNNGMXBRCZSP-UHFFFAOYSA-N 216.284 2.522 30 20 BFED C=C(C)CCN1CCN(c2cccs2)CC1 274770111 HCQDZVUVMFFWIM-UHFFFAOYSA-N 236.384 2.836 30 20 BFED C=CCCCCNC(=O)Nc1ccc(C)cn1 274808014 LYEXDOQHMHEXMJ-UHFFFAOYSA-N 233.315 2.868 30 20 BFED C=CCN[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 275653276 FDTDOEVKIQJISQ-GOEBONIOSA-N 244.382 2.815 30 20 BFED C=CCCN(C)C(=O)[C@](C)(OC)c1ccccc1 276421486 QLDGUIQRNBLXSS-OAHLLOKOSA-N 247.338 2.583 30 20 BFED C=CC[C@H](C)N[C@H](C(=O)OC)c1ccsc1 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20 BFED Cc1ccc(C#N)c(NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)n1 300600010 LYHRGZZCIZFCQS-UKJIMTQDSA-N 239.322 2.718 30 20 BFED Cc1cc(C#N)nc(NC[C@H]2CCC[C@@H](C)C2)n1 300685971 YXEPWBKAQIRWTG-PWSUYJOCSA-N 244.342 2.895 30 20 BFED C[C@@H](CNc1ccc(C#N)cc1)Cn1cccn1 301066038 CIAOYPZIMHTTKQ-LBPRGKRZSA-N 240.310 2.503 30 20 BFED CC(C)C[C@@H]1CCN(C(=O)C2(C#N)CC(C)C2)C1 307774289 LOVPBBCJFMHFIU-OWYJLGKBSA-N 248.370 2.821 30 20 BFED C=C(Cl)COC(=O)[C@@H](C)[C@@H](C)CC 308316454 VUZSASXUSQVOMX-CBAPKCEASA-N 204.697 2.964 30 20 BFED C=CC[C@@H](CC)N[C@@H](C)C1CCOCC1 309096822 FFJMQIJAMOWUKM-WCQYABFASA-N 211.349 2.746 30 20 BFED Cc1cc(N[C@@H]2CCC2(C)C)cc(C#N)n1 309856866 KVRCSRMMDPPAGS-GFCCVEGCSA-N 215.300 2.862 30 20 BFED C=C(CC)CN[C@H]1CCc2cccnc21 313502586 UCMUROSJXCZUAO-LBPRGKRZSA-N 202.301 2.625 30 20 BFED C=CCC[C@H](CO)N[C@H](CC)c1ccccc1O 321267979 DUVBWDZZXJWGNZ-TZMCWYRMSA-N 249.354 2.760 30 20 BFED Cc1nc(C(C)(C)/N=C(/O)[C@H]2C[C@@H]2C2CC2)no1 328857235 KNIURAFMEGAVEN-ZJUUUORDSA-N 249.314 2.616 30 20 BFED CC1(C(O)=Nc2ccc3nncn3c2)CCCC1 329373234 MYDVYLOXDVXPBO-UHFFFAOYSA-N 244.298 2.898 30 20 BFED C[C@@H]1CCC[C@@](C#N)(/N=C(/O)[C@H]2CCC(O)=N2)C1 329573945 ROCWHMWANCFOHM-GIPNMCIBSA-N 249.314 2.534 30 20 BFED Cc1nc(N=C(O)C[C@H]2CCOC2)sc1C 329774410 IOQHNILYCYVSBL-SECBINFHSA-N 240.328 2.775 30 20 BFED CC[C@@H](C)N/C(O)=N/CCOC1CCCCC1 330464783 VUXNXVCQRCIXIJ-LLVKDONJSA-N 242.363 2.638 30 20 BFED N#Cc1ccc(CN2CCC[C@@H]2C(F)F)cc1 334171731 AGVKDFYNVOUXJO-GFCCVEGCSA-N 236.265 2.788 30 20 BFED Cc1ccc(F)cc1NC(=O)NCC(C)(C)C#N 334427059 ZPILZKUMRGFBNY-UHFFFAOYSA-N 249.289 2.805 30 20 BFED Cn1ccnc1COc1cc(Cl)cc(C#N)c1 334443442 DVGXHWNJOODNHZ-UHFFFAOYSA-N 247.685 2.524 30 20 BFED C[C@H]1CCCN(C(=O)c2cscc2C#N)[C@H]1C 335152689 CJNVCWASGNFWLR-UWVGGRQHSA-N 248.351 2.880 30 20 BFED C=CCn1cccc1C(=O)N1CCC[C@@H](C)[C@H]1C 335206648 DMHWDPJQAODDED-CHWSQXEVSA-N 246.354 2.935 30 20 BFED C=C(CC)CN1CCC[C@]2(CCCCO2)[C@@H]1C#N 335243781 DYLNISSRIZYMOH-LSDHHAIUSA-N 248.370 2.880 30 20 BFED C=C[C@@H]1CCCCN1C[C@H]1CCSC1 335337460 YEZTWUUYUQTSKB-VXGBXAGGSA-N 211.374 2.780 30 20 BFED C=CC1CCN(C(=O)[C@H]2CCCCS2)CC1 335433635 ICSMDOVEFDFQCD-GFCCVEGCSA-N 239.384 2.697 30 20 BFED C=C(C)CN1CCC[C@]2(CCSC2)C1 335573147 ZQHZTIZCGYTMLI-LBPRGKRZSA-N 211.374 2.782 30 20 BFED CN(CC(C)(C)C)C(=O)c1ccc(C#N)s1 335681976 LQYPXBAMLJTKCD-UHFFFAOYSA-N 236.340 2.738 30 20 BFED Cc1cccc([C@H]2CCCN2C(=O)[C@H](C)C#N)c1 335891282 GPMKCEUPFCXPBH-TZMCWYRMSA-N 242.322 2.818 30 20 BFED C[C@@H](CC#N)NC(=O)c1ccc2c(c1)CCC=C2 336353250 NCTYCESNPLELIA-NSHDSACASA-N 240.306 2.678 30 20 BFED C=CCOCCCN[C@H](CC)c1nccs1 336736036 MESNCWDWGNNECP-LLVKDONJSA-N 240.372 2.777 30 20 BFED C[C@@H](CCC1CC1)Nc1cc(C#N)ccn1 336745414 QVDMFHAWHHWOAE-JTQLQIEISA-N 215.300 2.944 30 20 BFED CCSCc1ccc(C(=O)NCCC#N)cc1 340456363 CDPJAEDFAPTCIH-UHFFFAOYSA-N 248.351 2.583 30 20 BFED C=CCCN(C)[C@@H](C)C(=O)N(C)c1ccccc1 342739174 XBPVGNNLPUPWOD-ZDUSSCGKSA-N 246.354 2.546 30 20 BFED CC(C)(C#N)CNc1c(F)cccc1[N+](=O)[O-] 342827580 ARYHDGIWECIULI-UHFFFAOYSA-N 237.234 2.696 30 20 BFED C=CCOCCCN(C)[C@@H](CC)CSC 348037470 AZRLPSXTFLCLMB-LBPRGKRZSA-N 231.405 2.653 30 20 BFED CC/C=C/CCN1CCC(F)(C#N)CC1 352449104 KZRYSXZBMPSSSE-ONEGZZNKSA-N 210.296 2.670 30 20 BFED CS[C@@H](C)CN[C@@H]1CCc2ccc(C#N)cc21 353262460 VRBPBSCZMLTRNP-IINYFYTJSA-N 246.379 2.887 30 20 BFED C=CCN(CC1CCCCC1)[C@H]1CCOC1 355684997 WDZUEXVSOMAZRO-AWEZNQCLSA-N 223.360 2.844 30 20 BFED N#Cc1cccc(N2CCc3c(F)cccc32)n1 357609142 OWMWXXHIPFANFS-UHFFFAOYSA-N 239.253 2.787 30 20 BFED C[C@@H]1C[C@H]1CC(=O)N(CCC#N)Cc1ccco1 357840706 PJQVVPQBWHBBDC-NEPJUHHUSA-N 246.310 2.568 30 20 BFED C[C@@H]1CC[C@H](NC(=O)CCCC#N)[C@H](C)C1 360183654 MCQSRCHDMAANHE-UTUOFQBUSA-N 222.332 2.621 30 20 BFED C=C[C@H](C)NC(=O)c1csc(C(C)C)n1 362588914 SCLLXKYINYGIJB-QMMMGPOBSA-N 224.329 2.571 30 20 BFED C=C[C@@H](C)NC(=O)Nc1ccc(OC)cc1C 362692636 RRINBUGGBIUEMT-SNVBAGLBSA-N 234.299 2.700 30 20 BFED CC#CCCCC(=O)N1CCC[C@H]1C1CC1 364321618 ZBULEYFEMWOJGV-ZDUSSCGKSA-N 219.328 2.581 30 20 BFED C=CCCCN1C[C@@H](N2CCCC2)C[C@@H]1C 368511274 JFWVCCDGGFMBPD-KBPBESRZSA-N 222.376 2.511 30 20 BFED C#C[C@](C)(CC)NC(=O)CC1CCCCC1 384191536 HHOKULHGLPVBQN-CQSZACIVSA-N 221.344 2.875 30 20 BFED C#C[C@@](C)(CC)NCCCCCC(=O)OCC 384192669 WKODCOOBQZXTKX-AWEZNQCLSA-N 239.359 2.501 30 20 BFED CC[C@@H]1CCC[C@@H]1N=c1ccc(C#N)c(C)[nH]1 388793213 MJGXALBHKWEGES-YPMHNXCESA-N 229.327 2.674 30 20 BFED C#C[C@@](C)(CC)NCc1ncc(Cl)s1 395154006 PIDIAUCGEZMLIO-JTQLQIEISA-N 228.748 2.688 30 20 BFED Cc1cccnc1CN1CCC[C@@H](CC#N)C1 397611171 IMBNDRJRSXBOCY-ZDUSSCGKSA-N 229.327 2.516 30 20 BFED CO[C@H](CNc1cc(C)cc(C#N)c1)C1CC1 400184429 QSXAWNRZTVUDQO-CQSZACIVSA-N 230.311 2.704 30 20 BFED CC#CCCN(CC)Cc1occc1C 412025524 IZTLOCAMIRGBQD-UHFFFAOYSA-N 205.301 2.823 30 20 BFED Cc1cc(NC2CCC2)c(C#N)cc1[N+](=O)[O-] 413132446 IQQRQYFHUMWXOO-UHFFFAOYSA-N 231.255 2.739 30 20 BFED CC(C)[C@@H](C)C(=O)NCc1ccc(C#N)s1 421599689 GUVRXRYACJPOIP-SECBINFHSA-N 236.340 2.528 30 20 BFED C=CC[C@H](C)[C@H](C)NCC1(C)CCNCC1 423325878 JXRBZQHJUVLONO-STQMWFEESA-N 224.392 2.566 30 20 BFED C=C[C@H](C)NC(=O)NCC(C)(C)C(C)(C)C 431291250 QFSXTRXBCVACFL-JTQLQIEISA-N 226.364 2.932 30 20 BFED CC#CCCSCCC(=O)OC(C)(C)C 440599849 QETKQKJWPXMPPW-UHFFFAOYSA-N 228.357 2.865 30 20 BFED C=C[C@@H]1OCC[C@H]1NCc1cc(C)cc(C)c1 449518441 JWWACVSSIFPDDJ-CABCVRRESA-N 231.339 2.737 30 20 BFED C=CCC[C@@H](C)N[C@H](C)c1nccn1CC 449562086 GQUQWIHMSIVLRJ-VXGBXAGGSA-N 221.348 2.908 30 20 BFED N#CC1(CN(CC2CC2)CC2CC2)CCC1 450562289 GNVOJBGDXDCOHE-UHFFFAOYSA-N 218.344 2.802 30 20 BFED C=C(C)CCNC(=O)[C@@H]1CCO[C@H](CCC)C1 452719990 VFKRQLLHHFMOSO-CHWSQXEVSA-N 239.359 2.664 30 20 BFED C=C(C)CCNC(=O)[C@@H]1CC12CCSCC2 452741203 OQDAVVLMIKCHBU-NSHDSACASA-N 239.384 2.602 30 20 BFED C=C(CC)CNC(=O)c1ccc(OC)c(F)c1 453014917 LTMWLXGXORFXBU-UHFFFAOYSA-N 237.274 2.530 30 20 BFED C=C(C)CCNC(=O)Nc1nc(C)c(C)s1 454274623 JTUXEVXPFSRTSQ-UHFFFAOYSA-N 239.344 2.848 30 20 BFED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1CF 454811233 OKGBWNHIMOWJNR-NEPJUHHUSA-N 242.338 2.875 30 20 BFED CC(C)[C@@]1(C)C[C@H]1C(=O)NCC(C)(C)CC#N 457993466 MVPBIEAJHCRBCI-SMDDNHRTSA-N 236.359 2.725 30 20 BFED CC#CCCNCc1ccccc1OCC1CC1 482126121 LMBBOERCSTWRFO-UHFFFAOYSA-N 243.350 2.978 30 20 BFED C[C@H](C#N)CN(C)Cc1cc2ccc(F)cc2[nH]1 488323544 RAMYKVWQTGAAPE-SNVBAGLBSA-N 245.301 2.898 30 20 BFED CC#CCCNCc1cc2ccc(F)cc2[nH]1 488536403 NQDSSXCUDJPSDU-UHFFFAOYSA-N 230.286 2.810 30 20 BFED C#CCN(C)Cc1cccc(F)c1Cl 491203758 YQMBPJAKCYGYRX-UHFFFAOYSA-N 211.667 2.544 30 20 BFED C#C[C@H](C)N(C)CC[C@@H]1CC1(Cl)Cl 491768518 LJCCCROUQUGABQ-DTWKUNHWSA-N 220.143 2.524 30 20 BFED C#C[C@H](C)N(C)Cc1csc(C(C)(C)C)n1 491801593 DAPPNHOVPPTXIU-JTQLQIEISA-N 236.384 2.894 30 20 BFED C/C=C(/C=C/C(=O)N(CC)C[C@H](C)C#N)CC 492114354 QOQWTCVSVKSQPT-LJBPCRRKSA-N 234.343 2.907 30 20 BFED C[C@@H]1C[C@@H]1CC(=O)N(C)c1cccc(C#N)c1 517003170 QFKBAHOKWWKEOG-ZYHUDNBSSA-N 228.295 2.567 30 20 BFED CCC(C#N)(CC)C(=O)N1CCCC[C@H](C)C1 529065012 RYTWCKHZRQDPSF-LBPRGKRZSA-N 236.359 2.965 30 20 BFED CS[C@H](C)CCC(=O)N(CCC#N)C(C)C 540207640 CGEJPDBYVORZIJ-LLVKDONJSA-N 242.388 2.669 30 20 BFED C[C@@H](C#N)NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 560674520 GYISETOJBVWHNJ-QNWHQSFQSA-N 234.343 2.621 30 20 BFED CC1(C)CC(CNc2ncc(C#N)cc2F)C1 560842909 UOHFFZWXEKHIIO-UHFFFAOYSA-N 233.290 2.940 30 20 BFED Cc1ccc(C[C@H](C#N)S[C@H](C)CO)cc1 563114414 ZADKLHCGCLMEOD-DGCLKSJQSA-N 235.352 2.544 30 20 BFED CC[C@H](CC#N)NC(=O)[C@H]1CC[C@H](C)CC1 564217960 ZEJRSRNLVFZYNI-IJLUTSLNSA-N 222.332 2.621 30 20 BFED C=CC[C@@H](CC)NC[C@@H](O)CCC(C)C 567700152 GDNOIBNZOPCVSH-OLZOCXBDSA-N 213.365 2.728 30 20 BFED C=CCCCCn1nnc(-c2ccsc2)n1 569795241 VWCWTSHVIYRGNH-UHFFFAOYSA-N 234.328 2.758 30 20 BFED COc1cc(-c2ccc(C#N)s2)ccn1 589962980 MUUXXSZIPQSUGX-UHFFFAOYSA-N 216.265 2.690 30 20 BFED Cc1cc(N2CCC(C3CC3)CC2)c(C#N)cn1 591825116 BAFJPXHAZURGIM-UHFFFAOYSA-N 241.338 2.888 30 20 BFED CC[C@H](C#N)C(=O)N(C)Cc1ccc(C)s1 593447665 FXJOHIRPSHZQKW-SNVBAGLBSA-N 236.340 2.565 30 20 BFED C[C@H]1CCCCC[C@H]1NC1CCN(CC#N)CC1 593596030 WOWLOMNMIYNNCD-DZGCQCFKSA-N 249.402 2.533 30 20 BFED CS[C@@H]1CCCC[C@H]1N[C@H]1CC[C@@H](C#N)C1 593654994 ZNLXNFWZFWBOEW-YVECIDJPSA-N 238.400 2.942 30 20 BFED CC[C@@H](C#N)C(=O)N[C@@H](C)CCC=C(C)C 593735245 UGYOJFWZVKXRMX-RYUDHWBXSA-N 222.332 2.787 30 20 BFED COc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1C 595106676 TTYLQGGTPLQGOJ-JSGCOSHPSA-N 244.338 2.786 30 20 BFED CC[C@@H](C)CN(C)c1nc(C#N)ccc1C 596120248 PLWFTVGLRHCURS-SNVBAGLBSA-N 217.316 2.744 30 20 BFED CC(C)(C)NC(=O)CC1(C#N)CCCCC1 596711738 OLNSNMSLUWRCDP-UHFFFAOYSA-N 222.332 2.765 30 20 BFED CCC[C@H](C#N)NC(=O)c1ccc(C2CC2)cc1 597038473 BWJBNLARFLXPGZ-CQSZACIVSA-N 242.322 2.986 30 20 BFED Cc1ccnc(NCC2CC(C)C2)c1C#N 598642187 CRPPOTMUERCQAS-UHFFFAOYSA-N 215.300 2.720 30 20 BFED C[C@H](C(=O)Nc1sccc1C#N)c1ccco1 610167930 DBDBKWZCYWGHKC-QMMMGPOBSA-N 246.291 2.955 30 20 BFED CC(C)N(CCC#N)C(=O)[C@H](C)C1CCCC1 610520992 ZKGFSSJMFRXLNC-GFCCVEGCSA-N 236.359 2.963 30 20 BFED Cc1ccc(C#N)nc1N1CCCCCC1 611398698 KURPLJHACUAATI-UHFFFAOYSA-N 215.300 2.642 30 20 BFED C[C@]1(C#N)CCCN(Cc2ccc(Cl)cn2)C1 612165064 IMGJWNCVOPOLHD-CYBMUJFWSA-N 249.745 2.861 30 20 BFED C=CCCNC(=O)c1cnn(CCC(C)C)c1C 617616736 FZPGUTKCASVSSR-UHFFFAOYSA-N 249.358 2.544 30 20 BFED CCC(CC)(CC)C(=O)N1CC(C)(C#N)C1 619510562 WAFISHXWRPWXEA-UHFFFAOYSA-N 222.332 2.575 30 20 BFED C=C[C@@](C)(CC)C(=O)Nc1cc(F)ccn1 622152685 RJLIZIFDZKFSEH-LBPRGKRZSA-N 222.263 2.762 30 20 BFED C=CC[C@H](CC)NC[C@@H](OC)[C@@H](C)CC 639131997 CTZFZWWAFUUJBL-RWMBFGLXSA-N 213.365 2.992 30 20 BFED CC#CC[C@H](CO)NC[C@@H](CC)c1ccccc1 641766917 DYOLLRMRDKPJMO-GDBMZVCRSA-N 245.366 2.544 30 20 BFED C=CCC1(NC[C@@H]2CCOC2)CCCC1 657702962 RPPZSUCQGZZYKM-LBPRGKRZSA-N 209.333 2.501 30 20 BFED C=CC[C@@H]1CCCC[C@H]1NC[C@H](C)CCO 657895124 ITKIPGTTYZXXDB-MGPQQGTHSA-N 225.376 2.729 30 20 BFED C=CC[C@@H]1CCCC[C@@H]1NCCOCC(F)F 657986824 PGTVZLHHHAYPAL-NEPJUHHUSA-N 247.329 2.993 30 20 BFED C=CCC1(C(=O)NCc2ccoc2C)CCC1 682881317 IGKRCZPQGTYWNH-UHFFFAOYSA-N 233.311 2.951 30 20 BFED C=CC[C@@H](CC)NC(=O)NCc1ccoc1C 684888486 DGUCQAAHFOOEPA-GFCCVEGCSA-N 236.315 2.742 30 20 BFED N#Cc1cc(N[C@H]2C=CCC2)ccc1[N+](=O)[O-] 698277223 IUZVWESTHDUTDH-JTQLQIEISA-N 229.239 2.597 30 20 BFED Cc1cc(C#N)ccc1N1CC[C@H]2C[C@@H]2C1 699297410 QOKYGHFSLSVQEX-QWHCGFSZSA-N 212.296 2.713 30 20 BFED C#C[C@H](C)NC(=O)c1occc1-c1ccccc1 700572205 STQAFYXBPGHEIN-NSHDSACASA-N 239.274 2.698 30 20 BFED CC(CCc1ccco1)=NNc1cc(C)ncn1 731935202 WFADQZKXHIRGIS-UHFFFAOYSA-N 244.298 2.799 30 20 BFED C[C@@H]1C[C@H]1c1ccc(C=NNCC(F)F)o1 740617389 HMAKUVCPMULYNM-VXNVDRBHSA-N 228.242 2.592 30 20 BFED CCC[C@H](C#N)NC(=O)[C@H](C)c1ccc(C)o1 742605957 CMDWRUPHRSDFSZ-GHMZBOCLSA-N 234.299 2.500 30 20 BFED CCC[C@@H](C)C(CC)=NNC(=S)NC1CC1 748244018 GZCJNWNABFTRNJ-SECBINFHSA-N 241.404 2.815 30 20 BFED CCCNN=Cc1ccc(OC(F)F)c(F)c1 754706616 NHYBIJCBIXRTBF-UHFFFAOYSA-N 246.232 2.761 30 20 BFED C=CCN(C(=O)c1csc(C=O)c1)C(C)C 754996236 GZTOSKMIZZUKOG-UHFFFAOYSA-N 237.324 2.597 30 20 BFED CCN1CCC(=NNc2cc(C)ccn2)[C@@H](C)C1 755901476 WNLZUUBORCFWRU-LBPRGKRZSA-N 246.358 2.520 30 20 BFED C=C[C@H](C)NC(=O)/C=C\C1CCCCC1 757006482 JAZJTSUTLDCHAG-JUDLJHIGSA-N 207.317 2.814 30 20 BFED CCc1cnccc1C(C)=NOCC(F)F 758903516 KVSFTTTUWWOYQH-UHFFFAOYSA-N 228.242 2.650 30 20 BFED C#C[C@@H](CCC)NC(=O)NCC(C)(C)CC 759155149 GLTCJEKVXDRUHD-NSHDSACASA-N 224.348 2.524 30 20 BFED N#CC1(OC(=O)c2cc3c(s2)CCC3)CCC1 762097975 NVHOIBMGGNHINP-UHFFFAOYSA-N 247.319 2.840 30 20 BFED C#Cc1cccc(NC(=O)[C@H](F)C(F)(F)F)c1 764055658 UNHACQLOBHUZSX-VIFPVBQESA-N 245.175 2.507 30 20 BFED CC(=NOCC(F)(F)F)c1ccccc1O 764843886 AVYXAMKYSWJKSM-UHFFFAOYSA-N 233.189 2.695 30 20 BFED FC(F)CON=CC1Cc2ccccc2C1 766453618 BAZOSQQDGHPZFH-UHFFFAOYSA-N 225.238 2.669 30 20 BFED CC(C)OCCNN=C1CC[C@@H](C)[C@@H](C)C1 767385271 GFRMAQQDDPFFGV-NEPJUHHUSA-N 226.364 2.813 30 20 BFED CN(C(=O)[C@@H](F)c1ccccc1)C1(C#N)CCC1 769473241 UFTCROXBHJTHSF-LBPRGKRZSA-N 246.285 2.602 30 20 BFED FC(F)(F)CNN=Cc1cnc(C2CC2)s1 769821654 KOWYUZOTWYRUMB-UHFFFAOYSA-N 249.261 2.506 30 20 BFED C[C@@H](C#N)CNN=C1CCc2c(Cl)cccc21 771111706 KDOVRZBFHCRISX-VIFPVBQESA-N 247.729 2.740 30 20 BFED C=CCN(C(=O)[C@H](C)c1ccc(C)o1)C1CC1 771827475 JZOPDSRLOWIFNZ-LLVKDONJSA-N 233.311 2.869 30 20 BFED C#C[C@H](N[C@H](C)c1ccc(F)cc1)[C@H]1CCCO1 775571215 CSXAZJKFVSYLMZ-BYCMXARLSA-N 247.313 2.657 30 20 BFED CC[C@@H](C#N)OC(=O)c1c(C)oc(C)c1C 781149792 DYYFUPYYCKGOBX-JTQLQIEISA-N 221.256 2.664 30 20 BFED Cc1ccccc1-n1c(C)cc(C(=O)NO)c1C 782169598 NRUZTIOCMLRRAT-UHFFFAOYSA-N 244.294 2.522 30 20 BFED C=CCCCCCOC(=O)[C@@H]1C[C@H]1OCC 783045215 GVZKMJRHAOCGKE-VXGBXAGGSA-N 226.316 2.701 30 20 BFED CCS[C@H](C(=O)OCC1(C#N)CC1)C(C)C 785825462 GWGQJNCIEQTMMJ-JTQLQIEISA-N 241.356 2.611 30 20 BFED C1CC(=NOC[C@@H]2CCOC2)C[C@H](C2CC2)C1 788030272 MKSXLVHCKFVADK-DGCLKSJQSA-N 237.343 2.996 30 20 BFED CC(=NOC[C@H]1CCOC1)c1cccc(F)c1 788036316 HYARYPGDJUSUMA-NSHDSACASA-N 237.274 2.603 30 20 BFED CCC1(C)CCC(=NN[C@@H]2CCOC2)CC1 788447169 PWDHPRJPKWTYKR-PZORYLMUSA-N 224.348 2.711 30 20 BFED C#C[C@H](CCC)NC(=O)NC[C@H]1CC[C@H](C)C1 793074838 MLZWCYVCQGGJMU-RWMBFGLXSA-N 236.359 2.524 30 20 BFED CC(=NNCC1(C)CCCC1)c1cc(C)on1 793081307 JLVUUKXYVJASDK-UHFFFAOYSA-N 235.331 2.877 30 20 BFED C[C@H](C#N)CNN=C/C=C\c1ccc(F)c(F)c1 794920594 PHHLKLBCCSNJGC-ZKUTUDHHSA-N 249.264 2.713 30 20 BFED C#CCCCOC(=O)c1ccc2oc(C)nc2c1 795677622 ZJRMTXSNPLXYOI-UHFFFAOYSA-N 243.262 2.706 30 20 BFED C=CCOCCOC(=O)/C=C(/C)c1ccccc1 797296313 DZOMLHKCPYHDIJ-SEYXRHQNSA-N 246.306 2.836 30 20 BFED COCC[C@H]1CCCC1=NOCC(F)(F)F 799883167 RPRXOLUUXJWLCE-MRVPVSSYSA-N 239.237 2.758 30 20 BFED CC1(C)C[C@@H](NN=C2CCC23CCC3)CCO1 799885343 FDPDWYXLJAXLBU-NSHDSACASA-N 236.359 2.854 30 20 BFED CC#CC(=O)NCC[C@@H](C)CC(C)(C)C 801221058 ZISHPBQHSVGRIG-LLVKDONJSA-N 209.333 2.588 30 20 BFED C#C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)C1)C(C)(C)C 808292448 CGMSOSLSNXEBAX-UTUOFQBUSA-N 236.359 2.522 30 20 BFED c1ccc(C2CC(=NNc3cccnn3)C2)cc1 814852563 FQFDZJOGQWZNTM-UHFFFAOYSA-N 238.294 2.822 30 20 BFED CC(=NN=Cc1ccc(Cl)o1)c1cnccn1 814861407 NGFNIOAVLCXVKA-UHFFFAOYSA-N 248.673 2.566 30 20 BFED C=C(C)[C@H](CC(=O)OC[C@@]1(C)C[C@H]1F)OCC 822120083 LJOMFNOEDAEMMP-DMDPSCGWSA-N 244.306 2.649 30 20 BFED C=C(CC)CNCc1ccc(OCC)cc1O 825221594 SPPZRCPFDMXRED-UHFFFAOYSA-N 235.327 2.847 30 20 BFED CCC(F)(F)C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 828019630 XAIXCNVODPUCKC-ONGXEEELSA-N 244.285 2.620 30 20 BFED C=CCCC[C@H](C)OC(=O)[C@H]1CCC(=O)C1 830896785 LLUYPAIPWSGPEF-QWRGUYRKSA-N 224.300 2.644 30 20 BFED CCn1cccc1C=NOC/C=C\Cl 834979642 QIBCSEFJSZTIIO-BEANYCIGSA-N 212.680 2.611 30 20 BFED CC(C)ON=Cc1c[nH]nc1-c1ccsc1 835001464 GNONQKDKIWGVDT-UHFFFAOYSA-N 235.312 2.897 30 20 BFED CC(C)ON=C1COc2c(Cl)cccc21 835002657 RCQLSOYFROHRGD-UHFFFAOYSA-N 225.675 2.862 30 20 BFED C=C(C)CCNC(=O)/C=C/c1cccs1 836826665 MJZXUTIAWUATML-AATRIKPKSA-N 221.325 2.844 30 20 BFED C#Cc1cccc(CNC(=O)[C@H](C)[C@H](C)CC)c1 837107541 QSGKKXPKOFNFGQ-CHWSQXEVSA-N 243.350 2.966 30 20 BFED CC(C)(C)C#CC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 837674072 RYDYEHOEJAGPID-XDQVBPFNSA-N 245.366 2.540 30 20 BFED CCC[C@H](CC(C)C)C(=O)O[C@H](C)C#N 838251858 VVRCSRMUAGPPQD-GHMZBOCLSA-N 211.305 2.904 30 20 BFED C=CCOCCCOC(=O)C1=CC[C@@H](C)CC1 838347632 ADORULSKGBJGQB-GFCCVEGCSA-N 238.327 2.869 30 20 BFED CCCON=C1CC[C@@H](C(=O)OCC)C[C@H]1C 842552799 GHYBQOIGMSYTAB-GHMZBOCLSA-N 241.331 2.768 30 20 BFED C=C(C)CONC(=O)Nc1cc(C)cc(C)c1 844482660 MSYNSWZBAXGYMI-UHFFFAOYSA-N 234.299 2.933 30 20 BFED C=C(C)C(C)(C)C(=O)OCc1conc1CC 848767148 FNQFXEDTXVQCDZ-UHFFFAOYSA-N 237.299 2.883 30 20 BFED CCCCCCNC(=N)NCC(C)(C)CC#N 849040949 YXEQRCJBDDQRNS-UHFFFAOYSA-N 238.379 2.621 30 20 BFED Cc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)nc1 851208447 VIBQVIPLOOCCJA-LLVKDONJSA-N 246.310 2.875 30 20 BFED Cc1cccnc1C(=O)O[C@H](C)CC(C)(C)C#N 851210450 VMCSWAZBRXMRFE-LLVKDONJSA-N 246.310 2.875 30 20 BFED C=CCC(F)(F)C(=O)OC/C=C/C(F)(F)F 851291729 UOJXZMKVJBZTKI-HWKANZROSA-N 244.159 2.860 30 20 BFED COC(C)(C)CC=NN1CCCC[C@H]1C 853378765 CNPOUWXQKADKGP-LLVKDONJSA-N 212.337 2.662 30 20 BFED C=CCCNc1nc(C)nc(Cl)c1CC 853790808 LJNQOEBOXAQVFM-UHFFFAOYSA-N 225.723 2.989 30 20 BFED C#C[C@](C)(CC)NC(=O)[C@@H](C)C1CCCC1 854698797 HHSRQQVRMUHPGD-SMDDNHRTSA-N 221.344 2.731 30 20 BFED C=C[C@H](C)OC(=O)COCc1ccccc1C 857020780 DWBWVCFEYIDGSB-LBPRGKRZSA-N 234.295 2.629 30 20 BFED C#CC[C@@H](CCOC)NCc1ccc(C)cc1 858331826 IBFDHPKVNCYRLL-HNNXBMFYSA-N 231.339 2.513 30 20 BFED C#C[C@@H](CCC)NC(=O)C[C@@H](C)c1ccco1 861296510 AETOOEWEKQRBST-NEPJUHHUSA-N 233.311 2.691 30 20 BFED CC(=NN=c1cc[nH]c(C)c1)c1cc(C)c(C)o1 863159372 ODVSOXDPAUYBCO-UHFFFAOYSA-N 243.310 2.858 30 20 BFED C=CCN(C(=O)Cc1ccc(C)c(O)c1)C(C)C 863942923 GHAVEUONZSRRBN-UHFFFAOYSA-N 247.338 2.666 30 20 BFED COc1ccc(N[C@@H]2C[C@@H](C)O[C@H]2C)cc1C#N 865860883 YVQBTPMBJRYIKF-GBIKHYSHSA-N 246.310 2.545 30 20 BFED CCCCNN=Cc1cccc([N+](=O)[O-])c1C 872343062 LUXXNJAVMPBARC-UHFFFAOYSA-N 235.287 2.627 30 20 BFED Cc1cc(C)c(/C=C/C=NN[C@H](C)CO)cc1C 872355944 UJVAXTXCADQFIL-XQJDFGQXSA-N 246.354 2.581 30 20 BFED CCCOc1ccc(C=NN2CCC2)cc1 872394759 LCFIHKOUIYWMTB-UHFFFAOYSA-N 218.300 2.515 30 20 BFED CCCCCC[C@H](C)C(=O)Nc1c[nH]nc1C#N 875846215 YEIPESYXZJPJIL-JTQLQIEISA-N 248.330 2.826 30 20 BFED C#CCCCCCCNc1cnn(C)c1C 877133918 KRMIHUVHPBVEGF-UHFFFAOYSA-N 219.332 2.724 30 20 BFED C=CC(C)(C)CC(=O)NCC#Cc1ccccc1 878046466 AKNDNLQAIHOFCC-UHFFFAOYSA-N 241.334 2.757 30 20 BFED C=CCN(C(=O)NC[C@H]1C=CCC1)C(C)C 883835042 YHKVOCVEZQIHOV-LBPRGKRZSA-N 222.332 2.559 30 20 BFED C=C1CCC(C(=O)N2CCOCC23CCC3)CC1 889658707 LCFZFCWHDXSGTM-UHFFFAOYSA-N 249.354 2.514 30 20 BFED CSC1(c2noc(-c3ccc(C#N)o3)n2)CC1 896781344 OLTNSMTZUWJDFJ-UHFFFAOYSA-N 247.279 2.553 30 20 BFED C=C1CN(C(=O)CCCSC(C)(C)C)C1 898699855 TUJNFLOIHSUYLG-UHFFFAOYSA-N 227.373 2.697 30 20 BFED N#CC1(CCCCN2CC[C@@H](CCN)C2)CCC1 903788773 QDBDAHWTOOKFND-CQSZACIVSA-N 249.402 2.521 30 20 BFED C=C[C@@H](CC)CC(=O)OCCCOC(C)C 909528576 CQVXLGGOJIUOLN-LBPRGKRZSA-N 228.332 2.947 30 20 BFED C=C1CCC(C(=O)Nc2cc(C)cc(O)n2)CC1 910582804 AOALISXVVJPRRR-UHFFFAOYSA-N 246.310 2.781 30 20 BFED CCCNN=C(C)c1ccc(C)cc1OC 915966095 XCPUIZYYNUQKGG-UHFFFAOYSA-N 220.316 2.727 30 20 BFED CCC[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H](C#N)C1 928216705 JSWQZYDMRGUQKZ-MGPQQGTHSA-N 248.370 2.965 30 20 BFED C=C[C@H](CC)CC(=O)Nc1cnc(C2CC2)nc1 931872503 MPDHSBGNQAVEDH-SNVBAGLBSA-N 245.326 2.895 30 20 BFED C=C[C@@H](CC)CC(=O)NCC[C@@H]1CCCCO1 935305497 IGQWPWLDVBPKQB-STQMWFEESA-N 239.359 2.664 30 20 BFED CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)CC#N 1116640862 HBRGZFGIWIFFGT-FRRDWIJNSA-N 236.359 2.725 30 20 BFED C=C(CC)CNCc1cccn1C1CC1 1117787851 UXPJOYAZWOUTGX-UHFFFAOYSA-N 204.317 2.879 30 20 BFED C=CCC1(NC(=O)NC2CC2)CCCCC1 1118013280 XJHKDZAHQIIDJI-UHFFFAOYSA-N 222.332 2.727 30 20 BFED C=C(C)CCC(=O)NOCc1ccccc1OC 1120649094 XGSRJYNNRCRCPQ-UHFFFAOYSA-N 249.310 2.599 30 20 BFED C=C[C@@H](Cc1nnc(C)o1)c1ccccc1 1322112030 VISBWVDMGSBIST-NSHDSACASA-N 214.268 2.890 30 20 BFED C=C[C@@H](COC)NC(=O)CCCCC(C)C 1330834214 MXYYKULQLXORBF-LBPRGKRZSA-N 227.348 2.520 30 20 BFED CC(C)(NC(=O)c1ccc(C#N)cc1F)C1CC1 1337536532 WBDRXJDCLQXVEA-UHFFFAOYSA-N 246.285 2.616 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)C[C@H]1C=CCCC1 1337581282 SFBSGDNMNQDQQW-STQMWFEESA-N 234.343 2.883 30 20 BFED C=CCCCNC(=O)N1CCC[C@@H]1CCC 1343438671 ILVGGPXRXHUGLL-LBPRGKRZSA-N 224.348 2.927 30 20 BFED C=CCC1(CNC(=O)NC2(C)CC2)CCCC1 1344568397 RYHYOXBIILIYGL-UHFFFAOYSA-N 236.359 2.975 30 20 BFED C=C(CC)C(=O)NCCc1cc(C)cc(C)c1 1346076975 QCENXDNEQHBOHM-UHFFFAOYSA-N 231.339 2.928 30 20 BFED C#CC[C@H](C)OC(=O)[C@@H]1CCC[C@@H]1CC 1347217609 KDOLNAFGISRRJQ-SDDRHHMPSA-N 208.301 2.768 30 20 BFED CC[C@H](C)[C@@H](C)C(=O)Nc1cc(C#N)cc(C)n1 1353424639 BMCIBDOZJGCISL-GXSJLCMTSA-N 245.326 2.882 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)CCCCCC#N 1355089748 YITXJDJLJXBGEE-LBPRGKRZSA-N 235.331 2.611 30 20 BFED CC(C)C[C@@H]1C[C@H]1C(=O)O[C@H]1CC[C@H](C#N)C1 1516823030 YWKIEYZQOGRICZ-QNWHQSFQSA-N 235.327 2.904 30 20 BFED C=CCN(C[C@]1(C)CCNC1)c1ccccc1 1574927100 FDCPCWUWMXWMLD-OAHLLOKOSA-N 230.355 2.679 30 20 BFED C=CC[C@H](C(=O)O)N1CCC[C@@]2(CC=CCC2)C1 1588728980 FYHTTXJSEDQBND-HIFRSBDPSA-N 249.354 2.838 30 20 BFED C=CCCC[C@H](NCC(=O)O)c1ccccc1 1588797259 AFWRRHAMHZYVMZ-ZDUSSCGKSA-N 233.311 2.758 30 20 BFED C=CC[C@H](C(=O)O)N1CCC[C@@H](CC(C)C)C1 1602834955 GSZQSPKEEYOAIB-QWHCGFSZSA-N 239.359 2.774 30 20 BFED C=C1CC(CN2CC[C@](C(=O)O)(C3CCC3)C2)C1 1776144825 YCPHQTCJYFLUJX-OAHLLOKOSA-N 249.354 2.529 30 20 BFED C=C[C@@H]1CCCN(CCC(C)(C)CC(=O)O)C1 1776150531 VRVUNWJOLYYTJK-GFCCVEGCSA-N 239.359 2.775 30 20 BFED C=CC[C@]1(C(=O)O)CCN(CCC2CCC2)C1 1776160454 FQIICODDCCLWDJ-AWEZNQCLSA-N 237.343 2.529 30 20 BFED CC(C)CNc1nnc(S[C@H](C)C#N)s1 18663941 YRDMCJKHNZFGSN-SSDOTTSWSA-N 242.373 2.610 30 20 BFED N#Cc1ccc(N2CC[C@H]3CCCC[C@@H]3C2)nc1 35220244 SCQNZYCROKWAKH-ZIAGYGMSSA-N 241.338 2.970 30 20 BFED C#Cc1cccc(NC(=O)N(CC)C2CC2)c1 43981909 NJNZXZAZMMZZII-UHFFFAOYSA-N 228.295 2.684 30 20 BFED CC(=O)Nc1c(C)ccc(N[C@@H](C)C#N)c1C 48642056 ZHBJMBYKGFYMDZ-VIFPVBQESA-N 231.299 2.586 30 20 BFED CC(C)OCCNc1cccc(F)c1C#N 49259428 JJONWPNUKCLWMN-UHFFFAOYSA-N 222.263 2.534 30 20 BFED N#Cc1ccsc1C(=O)NCc1cccs1 52028365 CBISRGPBKDGLIE-UHFFFAOYSA-N 248.332 2.611 30 20 BFED CCOc1ccccc1CN[C@@H](CC)CC#N 54182261 ZCXSQWVGISNWPQ-ZDUSSCGKSA-N 232.327 2.867 30 20 BFED Cc1ccc(C(=O)N(C)[C@@H](C)CC#N)c(C)c1 63093719 CYDAUALYNFJSHI-LBPRGKRZSA-N 230.311 2.678 30 20 BFED CC(C)c1nc(CN[C@H](C)CC#N)cs1 67407324 JXXMCOHXHDHWHK-SECBINFHSA-N 223.345 2.658 30 20 BFED CC(C)[C@H](C)CC(=O)NCC#Cc1ccccc1 67903373 KIEVUABPWVYTDY-CQSZACIVSA-N 243.350 2.837 30 20 BFED C[C@H]1CCC[C@@H]1Nc1ncccc1C#N 70833180 ZJNICTPYIPUTTF-ONGXEEELSA-N 201.273 2.554 30 20 BFED C[C@H]1CCC[C@H]1Nc1ncccc1C#N 70833185 ZJNICTPYIPUTTF-GXSJLCMTSA-N 201.273 2.554 30 20 BFED N#CCC[C@@H](C#N)CN1CCCCCCC1 72589578 HISFFCLUMHIVNK-ZDUSSCGKSA-N 219.332 2.696 30 20 BFED C[C@H](Cc1ccco1)NCc1cc(C#N)cs1 93492259 VAWJUCCRQXGUQT-SNVBAGLBSA-N 246.335 2.934 30 20 BFED CCC(CC)CNC(=O)c1cccc(C#N)c1 96698507 QTEYYGZJMSEVAT-UHFFFAOYSA-N 230.311 2.724 30 20 BFED CS[C@H](C)C(=O)N(CCC#N)CCC(C)C 103440238 SNERNSXTXAOQLU-LLVKDONJSA-N 242.388 2.526 30 20 BFED C#CCN[C@@H](c1ccc(F)cc1)C1CCC1 104706268 ZKPRHBCJCNEOLA-CQSZACIVSA-N 217.287 2.890 30 20 BFED C[C@@H](CC#N)N(C)C(=O)[C@H](C)c1ccccc1F 108994591 WWTXXLAFKGDYMR-WDEREUQCSA-N 248.301 2.690 30 20 BFED C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1CCC#N 111278689 SQWRXNQXDKEBRR-IPYPFGDCSA-N 244.338 2.751 30 20 BFED CC(C)[C@H](CC1CCCC1)C(=O)N[C@@H](C)C#N 116181955 FWMDBMDSJAWSOT-AAEUAGOBSA-N 236.359 2.867 30 20 BFED C=CC[C@@H](C)NC(=O)[C@H]1CSc2ccccc21 118345728 QMOBKDNPWHDLNR-PWSUYJOCSA-N 247.363 2.957 30 20 BFED C=C[C@H](C)N[C@H](C)c1cnn(C(C)C)c1 122988033 MQIYJDURMQWGGT-WDEREUQCSA-N 207.321 2.689 30 20 BFED CCCCCCCN1CCC[C@@](C)(O)C1 123936617 DROCMMYEXFUMBT-CYBMUJFWSA-N 213.365 2.804 30 20 BFED CCCC/C(N)=N/OCc1ccc(Cl)nc1 131268981 MARRJWYDEQJKJQ-UHFFFAOYSA-N 241.722 2.714 30 20 BFED CC#CCN[C@@H]1C[C@@H](OCC)C1(CC)CC 132947953 REFXWBRBZMYRFI-CHWSQXEVSA-N 223.360 2.583 30 20 BFED C=CC[C@@H](C)NCc1ccc(C#N)cc1F 135511487 NGRMRGHESDPYMO-SNVBAGLBSA-N 218.275 2.752 30 20 BFED C=CCCOCC(=O)Nc1ccc(F)cc1C 144885311 IQAONWIDWNLAMU-UHFFFAOYSA-N 237.274 2.665 30 20 BFED CC1(C)CCC[C@@H](Nc2nccnc2C#N)C1 149834261 ZZJJYEJVYIZBNW-SNVBAGLBSA-N 230.315 2.729 30 20 BFED C=CCn1c(C)nnc1SCCCSC 153683640 UJANUDSHERHHIL-UHFFFAOYSA-N 243.401 2.618 30 20 BFED C=CCCCN1C(=O)C[C@](C)(CC(C)C)C1=O 157113173 ISXDNWQRKCRCOB-AWEZNQCLSA-N 237.343 2.764 30 20 BFED C#Cc1cccc(NC(=O)[C@@H]2CCCCS2)c1 157848112 NPJXQQQTJNUGLN-ZDUSSCGKSA-N 245.347 2.892 30 20 BFED C=CCN(C)C(=O)c1cc(F)c(C)cc1F 161712497 YKVJDIUSMXEAKE-UHFFFAOYSA-N 225.238 2.531 30 20 BFED C=CCN(C)C(=O)c1cc(C)c2ccccc2n1 161765668 ILTBJVHZHSEHAP-UHFFFAOYSA-N 240.306 2.801 30 20 BFED CC(C)(C#N)CNCc1cc(Cl)ccc1O 164682582 BMKVNWMIFSZWSW-UHFFFAOYSA-N 238.718 2.685 30 20 BFED CC#CCOC(=O)c1ccc(Cl)cc1F 174332648 INIRBYGETZGFMU-UHFFFAOYSA-N 226.634 2.659 30 20 BFED C=CCNc1cc2c(cc1Cl)OCCO2 174943056 NUTYLHPOXABIIA-UHFFFAOYSA-N 225.675 2.709 30 20 BFED Cc1cscc1C(=O)OCCCC#N 176712389 WISMCCYQRLWRDX-UHFFFAOYSA-N 209.270 2.517 30 20 BFED C#CCCCCC(=O)Nc1ccc2c(c1)OCO2 179604331 CDXVTRHLVOAOIS-UHFFFAOYSA-N 245.278 2.547 30 20 BFED C[C@@H](CCCc1ccccc1)C(=O)N[C@H](C)C#N 180035246 DOUSNMMPDHKBKS-QWHCGFSZSA-N 244.338 2.674 30 20 BFED C=CCCC[C@H](C)NC(=O)N(CC)C1CC1 181100493 LJVLNHCUKHGJIW-NSHDSACASA-N 224.348 2.925 30 20 BFED N#CCOc1cc(F)ccc1NCc1ccco1 181540814 PRJYEYXMRYMPKH-UHFFFAOYSA-N 246.241 2.933 30 20 BFED C#CCN[C@@H](C)c1c(F)cccc1Cl 181756318 VFHYIFGOWHGOFL-QMMMGPOBSA-N 211.667 2.763 30 20 BFED CC[C@H](NCCCC(C)(C)C#N)[C@@H]1CCCO1 182247616 PYAHWTGRYQBZRJ-STQMWFEESA-N 238.375 2.864 30 20 BFED C=CCCC[C@@H](C)NC(=O)c1ccc(C)nc1 182654041 NUGZARGPCGUCRJ-GFCCVEGCSA-N 232.327 2.865 30 20 BFED CC[C@H](CC#N)NC(=O)/C=C/c1ccc(C)cc1 183807119 SYZDKFDJGZOERG-MYSGNRETSA-N 242.322 2.817 30 20 BFED CC[C@@H](CC#N)NC(=O)C[C@@H](C)c1ccccc1 183924231 BHIDFRFLTNYQLF-OCCSQVGLSA-N 244.338 2.989 30 20 BFED C=C(C)CS[C@H](Cc1ccccc1)C(=O)NC 184592007 BYNBMVPLJIDTHJ-CYBMUJFWSA-N 249.379 2.653 30 20 BFED CC#CCNC(=O)N1CCC(CC)(CC)CC1 187034793 ZXWPVUKXNSKGJJ-UHFFFAOYSA-N 236.359 2.622 30 20 BFED CSC1(CN[C@H]2CCC[C@@H](C#N)C2)CC1 193821097 VLDNZZOFPGDEET-MNOVXSKESA-N 224.373 2.554 30 20 BFED Cc1ccnc(N[C@H]2CCOC(C)(C)C2)c1C#N 215436629 YHYIEJYKPSHBEE-NSHDSACASA-N 245.326 2.631 30 20 BFED N#CCSCc1nc(-c2ccc(F)cc2)no1 225257978 IAKLHEPGHFJWIW-UHFFFAOYSA-N 249.270 2.632 30 20 BFED CC(C)[C@@H]1CCC[C@H](NC[C@H](C)C#N)C1 230994044 MOIUNZLECUHJQU-UPJWGTAASA-N 208.349 2.950 30 20 BFED C[C@@H]1CCCC[C@@H]1CNc1nccc(C#N)n1 231899523 YERNMULUUDQVGI-GHMZBOCLSA-N 230.315 2.586 30 20 BFED COCCCCCNc1snc(C)c1C#N 234670730 GCHXQYYKTQCDJB-UHFFFAOYSA-N 239.344 2.552 30 20 BFED C[C@H]1CCCN(Cc2ccc(C#N)o2)[C@H]1C 245550675 AIGWOSDTKFMSLD-QWRGUYRKSA-N 218.300 2.772 30 20 BFED Cc1ccc([C@@H](C)C/N=C(\N)NC(C)(C)C)cc1 267387290 BWQFFHNAINHAGI-LBPRGKRZSA-N 247.386 2.801 30 20 BFED C[C@H](N(C)c1ccc(C#N)cn1)C1(C)CC1 267761402 JFKCGWLTSQZBRX-JTQLQIEISA-N 215.300 2.578 30 20 BFED C=CCN(CC=C)Cc1ccc2c(c1)ncn2C 271804916 LYJRARLGFZLWLG-UHFFFAOYSA-N 241.338 2.747 30 20 BFED C=CCOCCN[C@H](C)c1ccccc1OCC 272498246 DHFPLVILGRISFF-CYBMUJFWSA-N 249.354 2.939 30 20 BFED CSc1ccc(NC(=O)NCCCC#N)cc1 273217655 RDEILTMMTCPQGM-UHFFFAOYSA-N 249.339 2.834 30 20 BFED C#CCCCC(=O)Nc1sc(C)nc1C 277399059 DTTHOWFRJDBKOD-UHFFFAOYSA-N 222.313 2.502 30 20 BFED C=C(C)CN(CC)C(=O)c1cc(C2CC2)no1 281411009 GTIQJEXGCQVQLV-UHFFFAOYSA-N 234.299 2.590 30 20 BFED C=CC[C@H](CC)NC(=O)NCc1ncccc1C 281809115 JCUWZMGFBXFIES-LBPRGKRZSA-N 247.342 2.544 30 20 BFED C=CCC[C@H](NCC1(C)COC1)c1ccco1 286321335 XOSJIFIEMCAJFX-LBPRGKRZSA-N 235.327 2.913 30 20 BFED CC1(C)CC[C@H]1Nc1ccc(C#N)cn1 286528154 UUWPILFGQYQVQV-SNVBAGLBSA-N 201.273 2.554 30 20 BFED C=C[C@@](C)(CC)C(=O)N1CC[C@@H](SC)C1 295651466 ZQUAKCRPZZVKRR-PWSUYJOCSA-N 227.373 2.553 30 20 BFED C=CCCc1noc(Cc2cccs2)n1 297241297 INTWQIZOIJSXFL-UHFFFAOYSA-N 220.297 2.841 30 20 BFED C=CCSCCNc1ncc(C)s1 302881731 JFOIMXRUJIIFOW-UHFFFAOYSA-N 214.359 2.783 30 20 BFED CC[C@@H](C)c1ccc(N/C(N)=N/CCOC)cc1 303721500 XMOLFJSBMPTQTN-LLVKDONJSA-N 249.358 2.573 30 20 BFED N#Cc1cc(F)cc(NC[C@H]2C[C@H]3CC[C@H]2O3)c1 306034556 OOCZSFVRNANDCK-LERXQTSPSA-N 246.285 2.677 30 20 BFED C=CCSc1ncnc2sccc12 306222172 QOEGHQCHRWXPBO-UHFFFAOYSA-N 208.311 2.969 30 20 BFED Cc1nc(NC(C)C)c(Cl)cc1C#N 307059290 HJVXTCFHEUYLLI-UHFFFAOYSA-N 209.680 2.735 30 20 BFED Cc1cc(NC[C@@H]2CCCCS2)cc(C#N)n1 308269802 SMBWZWQUEFXUHD-ZDUSSCGKSA-N 247.367 2.959 30 20 BFED N#Cc1ccc(N2CCC3(CCC3)CC2)nc1 308729874 QSLVOHSWSYSBEI-UHFFFAOYSA-N 227.311 2.724 30 20 BFED C#CCCNc1cccc(C(=O)OC)c1Cl 309844267 RWJFVZJKONFMOO-UHFFFAOYSA-N 237.686 2.562 30 20 BFED Cc1ccc(C)c(OCCO[C@@H](C)C#N)c1C 310285962 GKAIQQCSTMQRMO-LBPRGKRZSA-N 233.311 2.919 30 20 BFED CC[C@](C)(CNc1cccc(CC#N)c1)OC 319291470 JWEPEWRBJUOSKV-CQSZACIVSA-N 232.327 2.980 30 20 BFED C=CCC[C@H](CO)NCc1sccc1Cl 320193145 BKNIJKGBJLAHNM-SECBINFHSA-N 245.775 2.818 30 20 BFED N#Cc1c(Cl)cccc1N[C@H]1CC[C@H](N)CC1 322110141 LECXXXWIYCMCGY-MGCOHNPYSA-N 249.745 2.893 30 20 BFED CC[C@@](C)(CNc1ccc(C#N)cc1F)OC 322634817 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228.226 2.671 30 20 BFED CN(C)c1ccccc1N[C@H]1CC[C@H](C#N)C1 335229582 BNGMETUEXROUTL-RYUDHWBXSA-N 229.327 2.857 30 20 BFED C[C@H]1CCSCCN1CCC(C)(C)C#N 335966653 FNIQMMBFTOSSGL-NSHDSACASA-N 226.389 2.754 30 20 BFED C=C[C@H]1CCCCN1Cc1ncccc1C 336092613 GJXYCIUHEWYELL-ZDUSSCGKSA-N 216.328 2.931 30 20 BFED C=C[C@H]1CCCCN1C(=O)c1cc(CC)ccn1 336094042 RLUGBESXZBDLGV-ZDUSSCGKSA-N 244.338 2.825 30 20 BFED C=C(C)CN1C[C@H](C(=N)O)Cc2ccccc21 336573812 KPXQSQCQUTZKBB-GFCCVEGCSA-N 230.311 2.777 30 20 BFED N#C[C@@H]1CCC[C@@H](NC[C@H]2CCCSC2)C1 336696936 MDCPOPVMZQFUDV-JHJVBQTASA-N 238.400 2.802 30 20 BFED C=CCCC[C@@H](C)NC(=O)c1cn(C(C)C)cn1 336968543 ATTMBEYVTICHND-GFCCVEGCSA-N 249.358 2.939 30 20 BFED C=CC[C@H](CO)CN[C@@H](C)c1cc(C)c(C)o1 337460130 KCAMGJTUFGQWBJ-AAEUAGOBSA-N 237.343 2.732 30 20 BFED Cc1c(C#N)cccc1C(=O)N(C)C1CCCC1 337912233 ZDKHOWZKWSNLAI-UHFFFAOYSA-N 242.322 2.881 30 20 BFED C[C@H](C[C@@H]1CCCO1)NCc1cccc(C#N)c1 338704023 BOHIKXPDKAXTLV-DOMZBBRYSA-N 244.338 2.605 30 20 BFED C=CCCCN1CC[C@@H](C2CCOCC2)C1 339133301 OAJQETHYEWXURC-CQSZACIVSA-N 223.360 2.701 30 20 BFED CCOCCCC(=O)Nc1ccccc1CC#N 339170600 IACMIRMLNIYHKO-UHFFFAOYSA-N 246.310 2.508 30 20 BFED C=C(C)[C@H](CC(=O)N[C@@H](C)CC1CC1)OCC 339373060 ZWJBTOWFPFKVMM-AAEUAGOBSA-N 239.359 2.663 30 20 BFED C=CCCCN1CCCO[C@@H](C(C)C)C1 339818987 GCXGZUFMSZJWIG-CYBMUJFWSA-N 211.349 2.700 30 20 BFED C=CCCC(=O)CSc1ccncc1 342710486 SGENTSCQTAGEJG-UHFFFAOYSA-N 207.298 2.709 30 20 BFED N#C[C@@H]1COCCN1CCCC1CCCCC1 347878924 MBNNBHPTRKYHBC-CQSZACIVSA-N 236.359 2.571 30 20 BFED C=CCCCCNCc1cccc(OCC)n1 349636255 ZVWZDBUKLTWDGG-UHFFFAOYSA-N 234.343 2.926 30 20 BFED C=C(C)C(C)(C)c1nc([C@H]2CCCOC2)no1 351294485 LVINUJKOCDFSFC-JTQLQIEISA-N 236.315 2.817 30 20 BFED C=C(CC)COc1cccc(-c2ncnn2C)c1 358980157 FJKPQVDGMZXNAM-UHFFFAOYSA-N 243.310 2.827 30 20 BFED C#Cc1ccc(CN2CCC[C@H](OC)CC2)cc1 368028543 DJLDFZANGJYWPW-INIZCTEOSA-N 243.350 2.669 30 20 BFED C=C(C)CCSc1n[nH]c(=NC(C)C)s1 380154296 YPJNDQNHCPIBMW-UHFFFAOYSA-N 243.401 2.839 30 20 BFED C=CC[C@@H](C)[C@@H](C)N[C@H](C)CN(C)C(C)C 381356797 CJTQXDMSKBABHU-MGPQQGTHSA-N 226.408 2.905 30 20 BFED CC(F)(F)CNc1ncc(C#N)cc1Cl 382278225 IIKRGFCVRBLFER-UHFFFAOYSA-N 231.633 2.674 30 20 BFED C#Cc1ccc(CNCCC2CCC2)cc1 390361985 SAJKRURSKRTNOG-UHFFFAOYSA-N 213.324 2.948 30 20 BFED C[C@@H]1CC[C@@H](CN2CCC(CCC#N)CC2)O1 399783335 WFIPCVNRILIQPT-OCCSQVGLSA-N 236.359 2.570 30 20 BFED Cc1ccc(CNc2nc(C)ccc2C#N)nc1 400915336 CFIAGOFPZIXXSP-UHFFFAOYSA-N 238.294 2.577 30 20 BFED CCC[C@@H](C#N)N(C)C(=O)C1CC(C)(C)C1 410834030 JBBDOZWYUNFECZ-NSHDSACASA-N 222.332 2.573 30 20 BFED C=C[C@@H]1CCCCN1C(=O)[C@H](C)CC(F)F 412290809 QIUAEAXJZQJVSW-NXEZZACHSA-N 231.286 2.845 30 20 BFED N#CCCSCCCCCn1cccn1 413008963 AVGGROWXVOOFKC-UHFFFAOYSA-N 223.345 2.700 30 20 BFED C=CCN(CCC#N)Cc1nc(CCC)cs1 430105382 NRKMKMYOVWMHRE-UHFFFAOYSA-N 249.383 2.997 30 20 BFED C=C(C)CCNCc1cnc2cc(C)ccn12 449477496 PAFSPGKUGMUJCD-UHFFFAOYSA-N 229.327 2.699 30 20 BFED C=C[C@@H]1OCC[C@H]1NCc1cccc(C)c1F 449517910 HUQKMPFSBXNSGO-OLZOCXBDSA-N 235.302 2.567 30 20 BFED C[C@H]1C[C@@]1(C#N)C(=O)NCC(C)(C)C1CCCC1 450208137 KKZMSLNISCKSNG-NHYWBVRUSA-N 248.370 2.869 30 20 BFED C[C@@H](C#N)C(=O)N[C@H](C)c1cccc(C2CC2)c1 452198611 WWELZEBFCZLUBC-WDEREUQCSA-N 242.322 2.901 30 20 BFED C=CCCCC(=O)N1C[C@H](C2CC2)[C@H]1C1CC1 456302406 SBJLTWXMWBQUEK-UKRRQHHQSA-N 233.355 2.990 30 20 BFED C=C(CC)CNC(=O)[C@]1(C)CC=CCC1 456830692 RQCFMEISGNWERP-CYBMUJFWSA-N 207.317 2.815 30 20 BFED CC(C)[C@]1(C)C[C@H]1C(=O)NCC(C)(C)CC#N 457993462 MVPBIEAJHCRBCI-FZMZJTMJSA-N 236.359 2.725 30 20 BFED CC#CCCNC(=O)N(C)Cc1ccc(C)cc1 483415885 BVLKTAMAFILRCK-UHFFFAOYSA-N 244.338 2.550 30 20 BFED C=CCn1cccc1C(=O)N(CC)C1CCC1 488967016 AYSNXQFIZXRTIQ-UHFFFAOYSA-N 232.327 2.689 30 20 BFED C#CCN(C)C(=O)c1csc2cc(C)ccc12 491523410 DVVXUBHDSXKKDA-UHFFFAOYSA-N 243.331 2.915 30 20 BFED N#CCCCCNC(=O)/C=C\C1CCCC1 493187000 LLZLDFZKMZAIPG-HJWRWDBZSA-N 220.316 2.543 30 20 BFED C=CCN(C)CC(=O)N(CCCC)CCCC 494667954 PVPHDQJUXKJSKC-UHFFFAOYSA-N 240.391 2.533 30 20 BFED C=CCCc1noc([C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)n1 528205291 FIGCDSIUHYGVRW-WDCWCFNPSA-N 236.315 2.715 30 20 BFED CC[C@@H]1CCC[C@H](NC(=O)NCC2(C#N)CC2)C1 562391336 ABUXVNARDMIXFR-NEPJUHHUSA-N 249.358 2.558 30 20 BFED CC[C@H](C)CCC(=O)Nc1cccc(C#N)n1 569460282 SOEPDGGKHYCQOL-JTQLQIEISA-N 231.299 2.718 30 20 BFED CC#CCN(C)C(=O)C1(C)CCCCCC1 583586307 MFNBZKOWZYCPRN-UHFFFAOYSA-N 221.344 2.829 30 20 BFED CC[C@@H](Nc1cc(C#N)ccn1)C1CCOCC1 587989789 WOCWEQIZNYBQMM-CYBMUJFWSA-N 245.326 2.570 30 20 BFED CO[C@H](C)C/N=C\c1c(O)ccc2ccccc12 588553293 HKWCNXXJCACVSC-FFCYNSPCSA-N 243.306 2.999 30 20 BFED N#C[C@]1(F)CCN(CC2CCC(F)(F)CC2)C1 590957067 ZVVUKXGOUIAVJS-LLVKDONJSA-N 246.276 2.749 30 20 BFED CC1(C#N)CN(Cc2cc3ccccc3[nH]2)C1 590967861 BRFHINNWJRUWAL-UHFFFAOYSA-N 225.295 2.513 30 20 BFED CC[C@H](C#N)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 593475199 IQHHSSZDWFUVJH-NDBYEHHHSA-N 234.343 2.716 30 20 BFED CC[C@@H](C#N)N(C)C(=O)[C@H]1CC[C@H](C)CC1 594082915 FPQKMHKALPPKJA-SRVKXCTJSA-N 222.332 2.573 30 20 BFED Cc1ccc(-c2cn(CCCC#N)nn2)cc1 594650822 XWHGCGOQRKLRNP-UHFFFAOYSA-N 226.283 2.557 30 20 BFED N#C[C@@H](c1ccccc1)N1CCC=C(F)C1 595412379 PLEMVBIBLQXMKM-ZDUSSCGKSA-N 216.259 2.810 30 20 BFED N#C[C@H](NC1(C2CC2)CC1)c1ccccc1 595431304 ONNOLMDBOWWKHE-ZDUSSCGKSA-N 212.296 2.783 30 20 BFED CCC[C@@H](C(=O)N(C1CC1)[C@@H](C)C#N)C(C)C 598131731 BWFCWBCFFGSWPF-WCQYABFASA-N 236.359 2.962 30 20 BFED CCN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)[C@H](C)C#N 598351486 ZGPXWWWHWXVROV-GRYCIOLGSA-N 236.359 2.819 30 20 BFED COc1cccc2c1CN([C@H]1CC[C@H](C#N)C1)C2 599642261 CYYZTFOIFZGIFJ-AAEUAGOBSA-N 242.322 2.703 30 20 BFED C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1CC#N 601040613 XQNFEMUZGGAHDC-RISCZKNCSA-N 242.322 2.671 30 20 BFED CCC(CC)(CC)C(=O)N[C@H](C)CC#N 610755297 DAHSVNMNWKIFJU-SNVBAGLBSA-N 210.321 2.621 30 20 BFED N#CCN(Cc1nccc2ccccc12)C1CC1 611265104 MSEQDEPANSEVDW-UHFFFAOYSA-N 237.306 2.723 30 20 BFED CC1(C)CC[C@H](CN2CCC[C@](C)(C#N)C2)O1 614183682 ATGROEBKVFXPAJ-TZMCWYRMSA-N 236.359 2.570 30 20 BFED C=CC[C@H]1CCCN(C(=O)[C@@H](C)C2CC2)C1 617782509 GYGFQPIQFZDHCR-RYUDHWBXSA-N 221.344 2.847 30 20 BFED CC[C@@H]1C[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 619562059 ZXZZJGHRQILJBM-PRHODGIISA-N 248.713 2.740 30 20 BFED C=CCCc1noc([C@@H](OCC)C(C)C)n1 624637662 YEDJXGUWOADHRX-NSHDSACASA-N 224.304 2.922 30 20 BFED C=CC[C@@H](C)[C@H](C)NCc1ccc(CO)cc1 647322872 RWAKSHIKOABFRT-OLZOCXBDSA-N 233.355 2.869 30 20 BFED C=C[C@](C)(CC)C(=O)N1CC(C(F)(F)F)C1 649012043 BCLPBKLXNPBPMV-SNVBAGLBSA-N 235.249 2.609 30 20 BFED C=CCCn1cc(CN[C@@H]2CCC[C@@H](C)C2)nn1 657301113 ZZXNRZAUUIBONY-CHWSQXEVSA-N 248.374 2.523 30 20 BFED C=CCCCCN1CCCN(CC)C[C@@H]1C 660787127 IAEWVJZKZUVPMK-AWEZNQCLSA-N 224.392 2.759 30 20 BFED C=CCCNC(=O)NC[C@H]1CCC[C@H]1C1CC1 661311029 GSMQGKMRGJDRAR-OLZOCXBDSA-N 236.359 2.688 30 20 BFED C=CCCNC(=O)N1CC[C@@H]2CCCC[C@@H]21 665940684 JGWMDKIHUGEGOM-RYUDHWBXSA-N 222.332 2.537 30 20 BFED C=CCNC(=O)[C@@H]1CCc2c(Cl)cccc21 678832008 QLLXCOQRVRKZKH-LLVKDONJSA-N 235.714 2.672 30 20 BFED C=C(C)CN(C)C(=O)CO[C@@H]1CCC[C@H](C)C1 679206020 RBGOXKLEFSNVPZ-QWHCGFSZSA-N 239.359 2.616 30 20 BFED CC(C)CN(CCC#N)C(=O)[C@@H](C)C1CCC1 692747821 GNBGRPRNPXUEJX-LBPRGKRZSA-N 236.359 2.821 30 20 BFED Cc1cc(N2CCC[C@H](C#N)C2)ccc1[N+](=O)[O-] 693954565 YTDVSADARHQIJV-LLVKDONJSA-N 245.282 2.643 30 20 BFED CO[C@H](C1CC1)[C@H](C)N[C@@H](C)CC(C)(C)C#N 695844365 VJLMDYCTFRHESB-GVXVVHGQSA-N 238.375 2.718 30 20 BFED C[C@@H](CC(C)(C)C#N)NCCC[C@H]1CCOC1 695893409 UOGPNVJCGDXBSA-STQMWFEESA-N 238.375 2.721 30 20 BFED C#CCCCCC(=O)N1CCC[C@H](CC=C)C1 703660345 GBGOFYPQGHNQNY-AWEZNQCLSA-N 233.355 2.995 30 20 BFED C=C[C@H](CO)N[C@H]1CCCC12CCCCC2 717569718 GQEGSSYZIIRSKS-OLZOCXBDSA-N 223.360 2.626 30 20 BFED CC(Cc1ccsc1)=NNc1ccc(C)nn1 729938439 VPRGQLLSMRHCKH-UHFFFAOYSA-N 246.339 2.877 30 20 BFED CC(C)CC=NNc1nccnc1Cl 733078995 PIBOOEDYXSUFSS-UHFFFAOYSA-N 212.684 2.574 30 20 BFED CC(=NNc1cccnn1)c1cccc(C)c1C 735973445 KDOBHAJAVQBXGZ-UHFFFAOYSA-N 240.310 2.930 30 20 BFED CC(C)C[C@@H](C/N=C/c1ccccc1O)C(=O)O 736404083 PXBCFBNLQZJNCU-AAWHYMEISA-N 249.310 2.558 30 20 BFED C=C(Cl)CNC(=O)N1C[C@H](C)CCC[C@@H]1C 743620661 QDNHMMQSINDHDK-KOLCDFICSA-N 244.766 2.959 30 20 BFED Fc1cc(F)c(NN=Cc2cc[nH]c2)cc1F 745205331 WCKCFZVJNDFERI-UHFFFAOYSA-N 239.200 2.878 30 20 BFED CC(C)CON=Cc1cccc2c1OCCCO2 749625411 ATQKJILKFIYZTG-UHFFFAOYSA-N 249.310 2.854 30 20 BFED C=C[C@@H](C)NC(=O)/C=C/C1CCCCC1 757006483 JAZJTSUTLDCHAG-PBQZMEPESA-N 207.317 2.814 30 20 BFED Fc1ccc2c(c1)CCCC2=NNC1CC1 758132549 GYAXOGOIMUWCIE-UHFFFAOYSA-N 218.275 2.618 30 20 BFED COc1cc([N+](=O)[O-])ccc1NN=C[C@@H]1C[C@H]1C 758374964 LWNXCJNNOMFWBD-BDAKNGLRSA-N 249.270 2.657 30 20 BFED CO[C@@H](C)C(C)=NNc1cc(F)cc(F)c1 763164722 YONBDNFQGPEHGR-QMMMGPOBSA-N 228.242 2.788 30 20 BFED C#CCNC(=O)N1CC[C@@H](C)C2(CCCCC2)C1 764904834 NYXSMVDKLIHZBR-CYBMUJFWSA-N 248.370 2.622 30 20 BFED CC(CCC1CC1)=NNCC(F)(F)F 769825806 WPMSFFYYNLITNR-UHFFFAOYSA-N 208.227 2.704 30 20 BFED COc1cccc(F)c1C(C)=NNCC(C)C 771565948 AWVNTMWJISAUDF-UHFFFAOYSA-N 238.306 2.804 30 20 BFED Cc1cc(C)c(CC(=O)O[C@H](C)C#N)c(C)c1 773703563 AWEPZMJRKMARLO-GFCCVEGCSA-N 231.295 2.610 30 20 BFED CCOCCON=Cc1ccc([C@H]2C[C@H]2C)o1 774430237 BNQCNGLKDJKFMH-PWSUYJOCSA-N 237.299 2.790 30 20 BFED COC[C@@H](C)NN=C1CCCCCCC1 777893154 MCFFMGGWKFFLSK-LLVKDONJSA-N 212.337 2.711 30 20 BFED CC[C@@H](C)C=NNc1ncncc1Cl 780281217 FIWOUFAVQZZOAM-SSDOTTSWSA-N 212.684 2.574 30 20 BFED CC(=NNc1ccnc(F)c1)c1occc1C 781124872 NSOHMZPUKOGORR-UHFFFAOYSA-N 233.246 2.958 30 20 BFED CCON=Cc1c(C)[nH]c2ccc(F)cc12 782225011 GUVNJVSQMFPGQB-UHFFFAOYSA-N 220.247 2.986 30 20 BFED C[C@@H]1CC(=NN[C@@H]2CCCC2(C)C)CCN1C 782285176 BHPQXYFZSVTACG-DGCLKSJQSA-N 237.391 2.625 30 20 BFED C=C[C@](C)(CCOC)C(=O)O[C@@H](C)CC 782440220 SPUICAKOPJKSPS-CMPLNLGQSA-N 214.305 2.557 30 20 BFED Cc1cc(COC(=O)[C@H]2CC2(C)C)ccc1C#N 784338268 KUNYYFVTKFHLKO-CYBMUJFWSA-N 243.306 2.956 30 20 BFED CCCCC(CC)=NOC[C@H]1CCOC1 788030248 MAMGXMYSCZFKPX-NSHDSACASA-N 213.321 2.996 30 20 BFED CCN(CC#CCOC)c1ccc2[nH]ccc2c1 788279409 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229.283 2.525 30 20 BFED C#C[C@@H](OC(=O)[C@@H](OC)C(C)C)c1ccccc1 842391732 SNTQINSPDLPFBK-KGLIPLIRSA-N 246.306 2.575 30 20 BFED C=C[C@H](C)ONC(=O)NC[C@H]1CCC[C@@H](C)C1 845640296 FBPIAYMBYHJAEJ-WOPDTQHZSA-N 240.347 2.618 30 20 BFED C=CCCCCCN(C)Cc1cnsn1 846808646 ZQGIYJRJNCUURE-UHFFFAOYSA-N 225.361 2.716 30 20 BFED C[C@@H]1CSC(SCc2ccc(C#N)cn2)=N1 848434562 KYYRDODOCAYKRU-MRVPVSSYSA-N 249.364 2.678 30 20 BFED C=CCC(C)(C)CNC(=N)N[C@@H](C)CC 849030224 DXTNUQFJGPIJGZ-JTQLQIEISA-N 211.353 2.501 30 20 BFED C=CCC1(N[C@H](C)C(=O)OCCC)CCCC1 852588186 QADRNRSVZNOYHG-GFCCVEGCSA-N 239.359 2.807 30 20 BFED CC1(C)C(=NNc2ncncc2F)[C@H]2CCC[C@H]21 853348567 HGPYBWOLMPIUBC-DTWKUNHWSA-N 248.305 2.840 30 20 BFED CCN(Cc1cc(C)cc(C)c1O)[C@@H](C)C#N 853578642 NXCBSRYDALVNST-LBPRGKRZSA-N 232.327 2.743 30 20 BFED C=C(Cl)Cn1nc(C2CCC2)nc1C 853679726 JYVUTPHHHXYKEG-UHFFFAOYSA-N 211.696 2.607 30 20 BFED Cc1ccccc1NC(=O)[C@@H](C)ON=CC1CC1 853734485 CMGGPMYRMIXXTL-LLVKDONJSA-N 246.310 2.734 30 20 BFED 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30 20 BFED C[C@H](CCC#N)CN[C@H]1CCC[C@H](F)C1 1330636381 BXSXLWBHJMWREB-WOPDTQHZSA-N 212.312 2.797 30 20 BFED C#CC[C@@H](C)OC(=O)C1(OC)CCCCCC1 1342794949 LCNYTAVFQGUNGP-GFCCVEGCSA-N 238.327 2.681 30 20 BFED C=C[C@@H](C)OC(=O)c1ccc(C(C)C)nc1O 1343327039 HNZAWLMEXLTICK-SECBINFHSA-N 235.283 2.642 30 20 BFED CCn1ccnc1[C@H](C#N)C(=O)C1=C(C)CCC1 1344863960 KSALVSVHPWSTAP-GFCCVEGCSA-N 243.310 2.580 30 20 BFED C=C(CC(C)C)C(=O)N[C@H]1CCC[C@H]1C 1348792513 AIHPLCPQJFKIAE-PWSUYJOCSA-N 209.333 2.894 30 20 BFED N#Cc1sccc1C(=O)N1CC2(CCCC2)C1 1350727581 CSOQPMWKIHGPPX-UHFFFAOYSA-N 246.335 2.636 30 20 BFED C=C(CC(C)C)C(=O)N(C)Cc1ccccn1 1520807006 PHIKYTVLMJXUJY-UHFFFAOYSA-N 232.327 2.642 30 20 BFED N#C[C@@H](C(=O)C1=CCCC1)c1cccc(F)n1 1524696019 NXACEZAOGPSIPG-SNVBAGLBSA-N 230.242 2.507 30 20 BFED N#C[C@H]1CC[C@@H](OC(=O)CC2CC(F)(F)C2)C1 1524746652 MFTAQLLEZWWQMD-WCBMZHEXSA-N 243.253 2.657 30 20 BFED C=CC[C@H](Sc1ncc(Cl)s1)C(=O)O 1588759343 RUDQWLPDUYEDJV-YFKPBYRVSA-N 249.744 2.918 30 20 BFED C=CC[C@H](CC)Nc1ccc(C)c(C(=O)O)n1 1602837531 ZUCVCKWQOHJDGN-JTQLQIEISA-N 234.299 2.855 30 20 BFED C=CC[C@@H](Nc1cccc2ccn(C)c12)C(=O)O 1602845429 ONXXKNHLVAUFPK-GFCCVEGCSA-N 244.294 2.620 30 20 BFED N#Cc1cc(N2CCc3cc(F)ccc32)ccn1 1655417057 FGJGKQJDMVXEPO-UHFFFAOYSA-N 239.253 2.787 30 20 BFED N#Cc1ccc(CCSc2ncccn2)cc1 1656048235 QONWKUZSLYUSQO-UHFFFAOYSA-N 241.319 2.683 30 20 BFED C=C(CC)CN1CC2(CCC2)CC[C@@H]1C(=O)O 1776141285 NBAMGOMGXVUEAG-GFCCVEGCSA-N 237.343 2.672 30 20 BFED C=C(CSC)B1OC(C)(C)C(C)(C)O1 1879948642 UVOPELFJYYNEFP-UHFFFAOYSA-N 214.139 2.537 30 20 BFED CNc1ccc(C(F)(F)F)cc1C#N 36926883 DABGQOTYDLUBQM-UHFFFAOYSA-N 200.163 2.619 30 20 BFED N#CCc1ccc(N[C@@H]2CCSC2)cc1 37071275 OLSZBQFITBKOKK-GFCCVEGCSA-N 218.325 2.670 30 20 BFED N#Cc1ccc(OC[C@H]2CCCO2)c(Cl)c1 42210714 RPBQJSIPSHRPKA-SNVBAGLBSA-N 237.686 2.769 30 20 BFED CC1(C)C[C@@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] 44368113 NWMQBZVOXJNMEW-NSHDSACASA-N 231.255 2.677 30 20 BFED C#CCCOc1ccc2c(c1)CCCC2=O 44745826 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C=CCCN(C)C(=O)NC[C@@H]1CCCC1(F)F 455384709 FTVRKVDVAOVYMW-JTQLQIEISA-N 246.301 2.639 30 20 BFED CC(C)[C@H]1CN(C(=O)CCCC#N)[C@H]1C(C)C 456323359 HKHYNPSMBIUQIS-OCCSQVGLSA-N 236.359 2.819 30 20 BFED CC[C@@]1(C(C)C)C[C@@H]1NC(=O)C1(C#N)CCC1 457255622 BCEZPJLPKBTCMM-FZMZJTMJSA-N 234.343 2.621 30 20 BFED C=C[C@H](C)NC(=O)CCc1ccc(C)cc1C 465100180 AQTRQONQOAJZDS-ZDUSSCGKSA-N 231.339 2.927 30 20 BFED C=CCn1cccc1C(=O)NC1(CC)CCC1 490022256 RJEPHXOFDOQSNF-UHFFFAOYSA-N 232.327 2.737 30 20 BFED N#CC1(CNC(=O)/C=C\c2ccsc2)CCC1 493465410 QQUKIGLWAMFHKF-IHWYPQMZSA-N 246.335 2.571 30 20 BFED C[C@@H]1C[C@H](NCCc2cccc(C#N)c2)[C@@H]1C 494981228 SGYYVNVFZREHAY-JMSVASOKSA-N 228.339 2.735 30 20 BFED C[C@@H](C#N)CN(C)Cc1scnc1C1CC1 495173628 LRSXRDPLCOXZDV-VIFPVBQESA-N 235.356 2.612 30 20 BFED Cc1csc(NC(=O)N(C)CC2CC2)c1C#N 514871260 RPUSIEJZHNQPPV-UHFFFAOYSA-N 249.339 2.802 30 20 BFED Cc1cnc(NCC2CCC(C#N)CC2)nc1 515587838 YQVSRPMCLKLZJA-UHFFFAOYSA-N 230.315 2.527 30 20 BFED C=CC[C@@H](CC)NC(=O)N1CCC1(C)C 547375510 RBMGOSMPMXRGOW-SNVBAGLBSA-N 210.321 2.535 30 20 BFED C=C(C)Cn1c(CC)nnc1N1C[C@@H](C)C[C@H]1C 562264420 WIYYCIRGRGFTPO-NWDGAFQWSA-N 248.374 2.651 30 20 BFED C=CCCCOc1cc(OC)ccc1[N+](=O)[O-] 563120738 GMOVYTBCQFUIOO-UHFFFAOYSA-N 237.255 2.948 30 20 BFED C[C@@H](CSc1cccc(F)c1C#N)N(C)C 568533451 SQSKVYMHBFUAOS-VIFPVBQESA-N 238.331 2.740 30 20 BFED C=CCCCCN1CCC[C@](C)(OC)C1 571374994 ZRTNFPBPUSUNMC-ZDUSSCGKSA-N 211.349 2.844 30 20 BFED CC#CCN(C)C(=O)C(CCC)CCC 573520056 OQDJWHOTISSUMX-UHFFFAOYSA-N 209.333 2.685 30 20 BFED CCc1nc(CN(C)[C@@H]2CC[C@@H](C#N)C2)cs1 574929699 OOKYTNGCWWFADE-ZYHUDNBSSA-N 249.383 2.830 30 20 BFED C=CC(C)(C)CNC(=O)N[C@H]1CCC[C@@H](F)C1 579466557 HBYUOAFSYMPTIE-MNOVXSKESA-N 242.338 2.779 30 20 BFED CCC[C@H](O)CSc1cccc(F)c1C#N 582857421 OMXMJYOFWICEAP-VIFPVBQESA-N 239.315 2.950 30 20 BFED N#Cc1ncccc1SCCN1CCCCC1 583882656 ORVYYFPLMMXQEX-UHFFFAOYSA-N 247.367 2.531 30 20 BFED C[C@@H](CCC#N)N1CCOc2ccccc2C1 591011472 ZNLHKVCRCXUBGK-LBPRGKRZSA-N 230.311 2.573 30 20 BFED Cc1nc(N2CC[C@@H](C3CCC3)C2)ccc1C#N 591204246 NBJHCOFAFUWDLE-CQSZACIVSA-N 241.338 2.888 30 20 BFED N#CCCC[S@@](=O)c1ccc(Cl)c(F)c1 593008060 NRCDZNRUASITFU-OAHLLOKOSA-N 245.706 2.890 30 20 BFED CCCC(CCC)C(=O)N(C)[C@@H](C#N)CC 594086009 NHBNGECTSNRZEA-GFCCVEGCSA-N 224.348 2.963 30 20 BFED CC[C@H](C#N)N(C)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 594101024 QBJNYMYGYQYRNH-WUHRBBMRSA-N 234.343 2.573 30 20 BFED CO[C@@H]1CCN([C@@H](C#N)c2ccccc2)C[C@H]1C 595523193 JMOIPQMPTXAXDV-VHDGCEQUSA-N 244.338 2.608 30 20 BFED CCC[C@@H]1C[C@H]1NC(=O)N1CCC[C@@H](CC#N)C1 595539373 LHBQRVVPRWGQDM-YNEHKIRRSA-N 249.358 2.510 30 20 BFED CCN(CCCSCC(C)C)[C@@H](C)C#N 595820042 IHHASEYXEWUIEI-LBPRGKRZSA-N 228.405 3.000 30 20 BFED N#C[C@@H]1CCC[C@H](NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)C1 597219544 SKRIKRLHOCLOIO-ORWNZLQRSA-N 230.355 2.703 30 20 BFED CC[C@H](CC#N)NC(=O)CC1(C#N)CCCCC1 597507289 HQMVJDGHNIZTGY-GFCCVEGCSA-N 247.342 2.659 30 20 BFED CCc1ccsc1C(=O)N(C1CC1)[C@@H](C)C#N 598131654 KBRRWHCUZJVARL-VIFPVBQESA-N 248.351 2.827 30 20 BFED CCN(C(=O)c1csc(Cl)c1)[C@@H](C)C#N 598361602 LMIOGGTZLTUPFD-ZETCQYMHSA-N 242.731 2.776 30 20 BFED C=C(C)CN(C)c1sccc1[N+](=O)[O-] 611493804 NHOPKAOBBOYTKF-UHFFFAOYSA-N 212.274 2.669 30 20 BFED C=C[C@@H](C)NC(=O)[C@@H]1CCc2cc(F)ccc21 612262656 CGCIRMBFQBMIPZ-NOZJJQNGSA-N 233.286 2.546 30 20 BFED C=C(C)CN1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 613542179 TVQORLMGNOZRAD-GJZGRUSLSA-N 242.366 2.631 30 20 BFED CCN(CC#N)Cc1cc2ccccc2[nH]1 619068084 MQBCYTOCTHOECA-UHFFFAOYSA-N 213.284 2.513 30 20 BFED C=CCN(C(=O)[C@@H](C)OCC(C)C)C(C)(C)C 622943498 DXWFOWQODOMUKA-GFCCVEGCSA-N 241.375 2.861 30 20 BFED C=C1CCN(C[C@@H](OC)[C@H](C)CC)CC1 638034001 ZKTKOTJJUUVYOL-CHWSQXEVSA-N 211.349 2.700 30 20 BFED C=C(C)Cn1c(CC)nnc1N1CCC[C@H]1CC 642719337 WRYDMCXPQPDHEJ-GFCCVEGCSA-N 248.374 2.795 30 20 BFED C=C[C@H](C)NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 674958319 YREQPNWPFDZIKO-TUAOUCFPSA-N 221.344 2.916 30 20 BFED C=CCN(C(=O)[C@H](C)c1c(C)noc1C)C1CC1 678495855 FIGJVASXZPCFCN-SECBINFHSA-N 248.326 2.572 30 20 BFED COCC#CCOc1ccc2[nH]c(C)cc2c1F 681129796 NSIJYLHIUQDXMI-UHFFFAOYSA-N 247.269 2.644 30 20 BFED N#Cc1cncc(Nc2ccc(C3CC3)cc2)n1 690274607 LFIXXPHPJOYYAY-UHFFFAOYSA-N 236.278 2.969 30 20 BFED C=CCC1(NC(=O)c2ccc(N)cc2)CCCC1 690798381 IQZNODISQFUPJH-UHFFFAOYSA-N 244.338 2.888 30 20 BFED C[C@@H](CC(C)(C)C#N)NCc1cccc(CO)c1 695775977 BUVZWRHOPCQGAD-LBPRGKRZSA-N 246.354 2.597 30 20 BFED C=CCC(C)(C)CN[C@@H]1COC[C@@H]1CC 699533679 PANMCUNVMAJMQE-NWDGAFQWSA-N 211.349 2.603 30 20 BFED C=CCC1(O)CCN(CC2CCCC2)CC1 717420071 WBIWNXFZLSVPJW-UHFFFAOYSA-N 223.360 2.580 30 20 BFED O=C(/C=C/C=C\c1ccccc1)c1cnccn1 734751547 TZZFMJBYJUFXQJ-MVTUOISNSA-N 236.274 2.929 30 20 BFED C#CCN1CC[C@@H](Cc2ccccc2)[C@H]1C 746677338 QNSMBKGUTXENIU-HIFRSBDPSA-N 213.324 2.573 30 20 BFED C=C(C)CNc1ccc(C)c(C(=O)N(C)C)c1 751273983 VKUJRTRQOWJAKI-UHFFFAOYSA-N 232.327 2.685 30 20 BFED C#CC(=O)N1CCCC[C@H]1c1cccc(C)c1C 754056788 PAPKGXFTAADQFF-HNNXBMFYSA-N 241.334 2.990 30 20 BFED C#C[C@@H](CC)NC(=O)/C=C/C1CCCCC1 754682939 LRKBUFOTIYRBAD-NHAQELONSA-N 219.328 2.651 30 20 BFED C#CCN(CC)C/C=C\c1ccc(F)cc1F 757739744 BAJRRDAPNQUQNQ-WAYWQWQTSA-N 235.277 2.933 30 20 BFED CCC(=NNc1ncccc1[N+](=O)[O-])C(C)C 759200565 DGTBDSJVBAIINF-UHFFFAOYSA-N 236.275 2.824 30 20 BFED CC#CCCOC(=O)c1c(F)cccc1F 760284344 OELRCWNVVLOFMW-UHFFFAOYSA-N 224.206 2.535 30 20 BFED CC[C@H](OC1CCCCC1)C(=O)O[C@@H](C)C#N 761540624 DTZAGUJXTYISFU-JQWIXIFHSA-N 239.315 2.570 30 20 BFED CC(=O)Nc1cccc(C(C)=NOCC2CC2)c1 763171088 BTBLVNBVIVREJX-UHFFFAOYSA-N 246.310 2.796 30 20 BFED C[C@@H](CC(=O)N=C1C[C@@H](C)ON1)CC(C)(C)C 765385748 VXWVCRMGSPEBJQ-VHSXEESVSA-N 240.347 2.687 30 20 BFED C#CCCCN1CCOc2cc(C)ccc21 766903018 OKIZAPLMXWBWAF-UHFFFAOYSA-N 215.296 2.607 30 20 BFED C#C[C@@H](C)N(C)c1ncc(C(C)C)s1 767440764 VNZLOFDGQBJKSU-SECBINFHSA-N 208.330 2.724 30 20 BFED C=CCN(Cc1n[nH]c2ccccc12)C(C)C 768546427 AVBCVKZGWWWXMG-UHFFFAOYSA-N 229.327 2.959 30 20 BFED CC1(C)CCCC[C@H]1NN=CC1CCOCC1 773124219 JJHVTVZNYHIPLP-CYBMUJFWSA-N 238.375 2.957 30 20 BFED C=C(CC)COC(=O)c1ccc(F)cc1O 773535124 IPNFZRYOFUXCTA-UHFFFAOYSA-N 224.231 2.654 30 20 BFED C[C@H]1CCC[C@@H](C=Nn2ccccc2=O)C1 776791287 HRTPZIIFJCYPGI-NWDGAFQWSA-N 218.300 2.509 30 20 BFED C=C(C)CN(C)C(=S)NCCc1ccccc1 777919505 VMVKGTBMQLDNHQ-UHFFFAOYSA-N 248.395 2.612 30 20 BFED C#Cc1cccc(NC(=O)N[C@@H]2CC[C@@H](C)C2)c1 780783660 WNMKXCAELSFNPG-BXUZGUMPSA-N 242.322 2.978 30 20 BFED CC(C)[C@H](F)C(=O)Nc1ccc(CC#N)cc1 784029793 JIVKIVHCILICGE-LBPRGKRZSA-N 234.274 2.685 30 20 BFED CC(=NNC[C@@H](C)C#N)c1csc(Cl)c1 787161877 GBMPXDLWLYHOQC-ZETCQYMHSA-N 241.747 2.875 30 20 BFED Cc1nc(C)c(CSc2cc(C#N)ccn2)o1 788098825 GPQQGFWKNCFGIH-UHFFFAOYSA-N 245.307 2.850 30 20 BFED CCOc1ccc(C=NN[C@H](C)CC)c(O)c1 790187885 HQWNCOCTLFOAEQ-SNVBAGLBSA-N 236.315 2.513 30 20 BFED C#C[C@H](N[C@@H]1CCC[C@H](C(C)C)C1)[C@@H]1CCCO1 793086289 UVLCHSAUBQHAQR-FZKCQIBNSA-N 249.398 2.972 30 20 BFED CC[C@@H](C)CON=Cc1cnc(C)s1 793145548 JXBSFDLBINWMIV-MRVPVSSYSA-N 212.318 2.848 30 20 BFED C=CCCCCCOC(=O)[C@@H](OC)C1CC1 795839933 ZGAWWHIIWRQJQF-LBPRGKRZSA-N 226.316 2.701 30 20 BFED CC#CCNC(=O)/C(F)=C\C1CCCCC1 798301653 YPKACQVVCMWFNU-ZRDIBKRKSA-N 223.291 2.560 30 20 BFED C[C@@H](C=NOC1CCOCC1)C(C)(C)C 800815714 KRSYZCVREJGITP-JTQLQIEISA-N 213.321 2.850 30 20 BFED C#C[C@H](NCc1cccc(OCC=C)c1)C(C)C 809685549 ZQKKMMHPNQAMBU-INIZCTEOSA-N 243.350 2.999 30 20 BFED C#Cc1ccccc1CC(=O)OCC(=C)Cl 811257219 FBRSVCDVNOSFLK-UHFFFAOYSA-N 234.682 2.506 30 20 BFED CC(C)OCCON=C1CCC[C@H]2C[C@@H]12 812238988 KLXMMOILWZFJIG-WDEREUQCSA-N 211.305 2.604 30 20 BFED Cc1cc(Cl)cc(C=NNc2cnccn2)c1 814797309 KHJSTFRRIUWJKJ-UHFFFAOYSA-N 246.701 2.884 30 20 BFED CC/C(C)=C/C(=O)N1CCc2c(C#N)cccc21 817471111 JIEUDGPKNSUXHF-PKNBQFBNSA-N 240.306 2.804 30 20 BFED C#CCC(C)(C)C(=O)NC[C@H]1CCCC1(C)C 819181127 LRHYNBMJGKBYHD-GFCCVEGCSA-N 235.371 2.978 30 20 BFED C=C(C)C(C)(C)C(=O)OC[C@@H](OC)C1CC1 821259971 UQXOKZDWKVXZTA-LLVKDONJSA-N 226.316 2.557 30 20 BFED C=C(C)C(C)(C)C(=O)OC[C@H]1C[C@H]2CC[C@H]1O2 821322016 KZBZJDRYKJHTBP-IJLUTSLNSA-N 238.327 2.699 30 20 BFED C#C[C@@H](NCc1ccc(C)cc1OC)C(C)C 824363833 LTBPBRNWFFPNRS-CQSZACIVSA-N 231.339 2.751 30 20 BFED CCN(CC(C)(C)C)C(=O)C#Cc1cccs1 833095543 ZPPZLLCCECRDIL-UHFFFAOYSA-N 249.379 2.994 30 20 BFED CC[C@](C)(C=NNc1ccc(C#N)cc1)OC 834941632 QSKVUQGSWVWNLX-CYBMUJFWSA-N 231.299 2.771 30 20 BFED Cc1nc(C#N)c(NN=C2CCCC23CCC3)o1 834942814 XNRONSZFXMYHRS-UHFFFAOYSA-N 244.298 2.977 30 20 BFED CCC(=NNC1CCOCC1)C1CCCC1 834961722 QFRNSKSTSZBIMT-UHFFFAOYSA-N 224.348 2.711 30 20 BFED CC(C)CC[C@@H]1CCC(=NNc2cnnn2C)C1 834982971 GXJCCHGNLYDFPQ-LLVKDONJSA-N 249.362 2.819 30 20 BFED Cc1cccc2c1CCCN2C(=O)C#CC1CC1 837420065 OEBGOZJJMGHEOT-UHFFFAOYSA-N 239.318 2.688 30 20 BFED CC(C)c1nn(C)cc1NC(=O)C#CC(C)(C)C 837594512 KJQAHNCMRFMLBU-UHFFFAOYSA-N 247.342 2.532 30 20 BFED C/C(C=NN1CCC[C@H]1CO)=C\c1ccccc1 841660621 FTTJTVIPRONUIO-HZPZJNOPSA-N 244.338 2.532 30 20 BFED C=C(Cl)CN1CCC(OC2CCC2)CC1 842161843 RRIIKPLOCQAAMV-UHFFFAOYSA-N 229.751 2.772 30 20 BFED C#CCCCSCCOCC1CCC1 842178055 LWWKKNNNOUEISI-UHFFFAOYSA-N 212.358 2.950 30 20 BFED Cc1cccc2c1[C@@H](C)CC2=NN(C)[C@@H](C)CO 842541284 HIEAMUJEYCZFLQ-RYUDHWBXSA-N 246.354 2.519 30 20 BFED CCCON=Cc1cccc2c1OCCCO2 842556212 IVKFRXAZNDKNDR-UHFFFAOYSA-N 235.283 2.608 30 20 BFED C=CCOCC(=O)OC[C@H]1CCCC[C@@H]1C 849726735 QNTZFRMAHGYIRQ-NWDGAFQWSA-N 226.316 2.559 30 20 BFED CC[C@@](C)(C#N)C(=O)OCCC=C(C)C 849775356 HZESUGILPFQROP-LBPRGKRZSA-N 209.289 2.826 30 20 BFED CC(C)CN(CCC#N)Cc1cc(C2CC2)no1 851779054 PPYDXKGEOYENQQ-UHFFFAOYSA-N 247.342 2.924 30 20 BFED CO[C@@H](C=NOCc1cccnc1)C1CCCC1 853322753 BNMMPRVLWJQLAE-AWEZNQCLSA-N 248.326 2.789 30 20 BFED C=CCON=Cc1ccc(OCC)cc1C 853355783 UZYQAYUHDAAUMR-UHFFFAOYSA-N 219.284 2.930 30 20 BFED CC(=NN1CCCC[C@@H]1C)[C@]1(C)CCCO1 853379119 GCBAHPJLDOENOG-AAEUAGOBSA-N 224.348 2.806 30 20 BFED CC[C@H](C)[C@@H](C=NN1CCCC[C@H]1C)OC 853381712 JOPAYNRZQQYMPR-YNEHKIRRSA-N 226.364 2.908 30 20 BFED CO[C@@H]1CC(=NN2CCCC[C@H]2C)C12CCC2 853381761 KVNVVPBAZMSQSC-DGCLKSJQSA-N 236.359 2.806 30 20 BFED C#C[C@](C)(CC)NC(=O)[C@@H](C)c1ccc(C)o1 854698299 WXWAIIWJYKMIMM-SMDDNHRTSA-N 233.311 2.610 30 20 BFED CC[C@@H](CC#N)Nc1nc(Cl)cs1 858484122 JOGGDYZFRARVRH-LURJTMIESA-N 215.709 2.901 30 20 BFED C#CCN(CC)C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 858747085 AWFFOAXXIHNNDY-LSDHHAIUSA-N 241.334 2.580 30 20 BFED C#CCCOC(=O)N(C)c1ccc(C)c(C)c1 858911775 FXKBQYKPWYJLSR-UHFFFAOYSA-N 231.295 2.900 30 20 BFED CCCCCCCNC(=O)[C@H](O)c1ccccc1 862357759 GARZOZBGWHDYHR-CQSZACIVSA-N 249.354 2.807 30 20 BFED N#CC1(CNC(=O)OC2CCCCC2)CCC1 867415619 HZGCFSBUSHDQCU-UHFFFAOYSA-N 236.315 2.739 30 20 BFED N#C[C@H]1CC[C@@H](Nc2cccc3nccnc23)C1 877762991 MFEBLQGPIANWQX-WDEREUQCSA-N 238.294 2.734 30 20 BFED Cc1ccc(NCCCCOC(C)C)c(C#N)n1 882173513 HMHISBJVMNAJFG-UHFFFAOYSA-N 247.342 2.879 30 20 BFED C=C[C@@H](CC)OC(=O)Cc1ccc(CC)cn1 892927857 XHFFTXPKUXOQEY-ZDUSSCGKSA-N 233.311 2.694 30 20 BFED C=C(C)CCNCc1ccc(C(=O)OC)c(C)c1 894710950 GOJYDVAFHGZSHW-UHFFFAOYSA-N 247.338 2.837 30 20 BFED C[C@H]1CCCC[C@H]1C=NN[C@@H]1CCCC[C@H]1O 901338713 KSTYFJHYHMWOCE-IGQOVBAYSA-N 238.375 2.692 30 20 BFED C=C[C@@H](CC)Cc1nc(CC2CC2)no1 901948357 XYGSCGAPTOIBNH-VIFPVBQESA-N 206.289 2.777 30 20 BFED C[C@H]1C[C@H]1C(=O)N(O)Cc1ccccc1Cl 904187941 XNUCNTGTTWEJKO-WCBMZHEXSA-N 239.702 2.714 30 20 BFED C=C[C@H](CC)CC(=O)OCC1(CC#N)CC1 909524341 GCHWNPUYOQXHIH-LLVKDONJSA-N 221.300 2.826 30 20 BFED C=CCN(C(=O)O[C@H]1CCOC1)c1ccccc1 913836989 MUPLWFMUJDTKAM-ZDUSSCGKSA-N 247.294 2.605 30 20 BFED C[C@@H](CC(=O)NO)c1ccc(C(F)(F)F)cc1 920017080 BOQPFWCDXVBLFJ-ZETCQYMHSA-N 247.216 2.704 30 20 BFED C=C[C@H](CC)CC(=O)NC[C@H]1CC1(C)C 932634728 XBAIKUPOBOIKOV-GHMZBOCLSA-N 209.333 2.751 30 20 BFED C=C[C@H](CC)CC(=O)N=c1cc(C)[nH]cc1C 935014794 DFWYRGPBDSTJOY-GFCCVEGCSA-N 232.327 2.661 30 20 BFED Cc1c(C#N)cccc1C(=O)NCCC1CCC1 1262005407 AQSMULADTQRKFQ-UHFFFAOYSA-N 242.322 2.787 30 20 BFED C=C(C)CCC(=O)Oc1ccc(C#N)c(OC)c1 1262794351 ZXZHHPBAJIAHKX-UHFFFAOYSA-N 245.278 2.829 30 20 BFED C=C(CC(C)C)C(=O)NC1C[C@@H]2[C@@H](C1)C2(F)F 1263861123 QIZKBYYSRATTBL-GHMZBOCLSA-N 243.297 2.749 30 20 BFED C=C[C@@H](COC)NCc1cccc2cccnc12 1320426581 ODZFZECHLGDNGQ-AWEZNQCLSA-N 242.322 2.525 30 20 BFED C=CC[C@@H](N[C@H](C)CCC(C)C)C(=O)OCC 1320766962 KVGOXCMSBLDHJR-CHWSQXEVSA-N 241.375 2.909 30 20 BFED C#CCSCCNc1nc2cccc(C)c2o1 1324417754 QDTOISBONAQAEI-UHFFFAOYSA-N 246.335 2.915 30 20 BFED C#C[C@H](CCC)NC[C@H](O)[C@@H](C)c1ccccc1 1335476971 LHECIMDWGBSZEK-IMJJTQAJSA-N 245.366 2.543 30 20 BFED C=CCC[C@H]1CCCN1C(=O)CCCC#N 1337489832 ZIIZRLSXUJOOJX-LBPRGKRZSA-N 220.316 2.637 30 20 BFED Cc1c(C#N)cccc1NC(=O)NC1(C)CC1 1340696150 BEHJKNNUIVKVCJ-UHFFFAOYSA-N 229.283 2.541 30 20 BFED CCN(Cc1csc(C)c1)[C@@H](C)C#N 1350395538 YLPZPJWXGLDLAY-VIFPVBQESA-N 208.330 2.791 30 20 BFED C=C(CC(C)C)C(=O)N1CCC(=O)C[C@@H]1C1CC1 1352423522 LJPGYCNNECJDOS-CQSZACIVSA-N 249.354 2.559 30 20 BFED C=C1CCC(C(=O)N2CCC(C)(C#N)CC2)CC1 1353989267 JGUJWPILYDSVTD-UHFFFAOYSA-N 246.354 2.885 30 20 BFED C=C(C)CCC(=O)NC[C@H]1COc2ccccc21 1354900099 VEEUBDXBXLKRIJ-LBPRGKRZSA-N 245.322 2.635 30 20 BFED C=C(C)CCC(=O)O[C@@H]1CCC[C@H](OC)C1 1515242053 JVFHCEDBEXUBJO-NWDGAFQWSA-N 226.316 2.844 30 20 BFED C=CC[C@@H](C(=O)O)N1CC=C(C(C)(C)C)CC1 1588727615 DJROUUJWCSUMRL-LBPRGKRZSA-N 237.343 2.694 30 20 BFED C=CC[C@H](C(=O)O)N(CC)Cc1cccs1 1588729356 QGHPYMNTVBCALY-LLVKDONJSA-N 239.340 2.599 30 20 BFED CC#CCCS[C@H](CCCC)C(=O)O 1588931553 ZZQCSIYKECGPAN-SNVBAGLBSA-N 214.330 2.776 30 20 BFED C=CCCCCN[C@@H](C)c1cc(C(=O)O)co1 1609329160 GLXOEBYQKUNMPR-JTQLQIEISA-N 237.299 2.985 30 20 BFED C=CCN(CC(=O)O)C[C@H](C)C[C@@H](C)CC 1776176493 IAWDZFOQDGJPMU-NWDGAFQWSA-N 227.348 2.631 30 20 BFED C=C(C)COc1cccc(C)c1[N+](=O)[O-] 34502710 XIVZKWGWKRMRBR-UHFFFAOYSA-N 207.229 2.858 30 20 BFED CN(C(=O)c1cccc(C#N)c1)C1CCCC1 37022462 WSIVSLKBMZTRIJ-UHFFFAOYSA-N 228.295 2.573 30 20 BFED CCCN(CC#N)C(=O)c1ccc(C)c(C)c1 44373150 WPTOQCHSLKWNLJ-UHFFFAOYSA-N 230.311 2.679 30 20 BFED CC[C@@H](C#N)C(=O)N[C@H](C)CCc1ccccc1 44827970 NGVRYIOFXLFEQV-OCCSQVGLSA-N 244.338 2.674 30 20 BFED 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30 20 BFED C=CCC(C)(C)c1nnc(Cc2cccnc2)o1 1327354527 PIURUBOGYLKUKJ-UHFFFAOYSA-N 243.310 2.909 30 20 BFED C#CCCCc1nnc(-c2ccc(OC)cc2)o1 1327832948 CFPFTEXVHQOOKV-UHFFFAOYSA-N 242.278 2.701 30 20 BFED C=CCC(C)(C)C(=O)OCc1ccc(C#N)cn1 1328229939 GMXOYLDMYBPBHF-UHFFFAOYSA-N 244.294 2.599 30 20 BFED C#Cc1ccc(NCCOCCC(C)C)nc1 1337848886 ZPXWCPKHGLQLGJ-UHFFFAOYSA-N 232.327 2.538 30 20 BFED C=CCCCCCCCNc1nccnc1CN 1337880923 PCMZXSADOSKETL-UHFFFAOYSA-N 248.374 2.874 30 20 BFED C=CC[C@@H](CC)NC(=O)NCCCC(F)F 1343099746 SONUSOAOAZHNPM-SECBINFHSA-N 234.290 2.686 30 20 BFED CCC[C@H](C)C(=O)[C@H](C#N)c1nccn1CC 1344874720 FYMPGVSLPALOIU-QWRGUYRKSA-N 233.315 2.515 30 20 BFED C=C(C)CCC(=O)OC[C@@H](OC)C(C)C 1346158937 OVWQCXIAQVOCAN-LLVKDONJSA-N 214.305 2.557 30 20 BFED C=C(C)CCNc1cc(C)cc(-c2nn[nH]n2)c1 1588424448 IVKHTOCUJMXRPB-UHFFFAOYSA-N 243.314 2.553 30 20 BFED C=C(C)CCNc1ccc(-c2nn[nH]n2)cc1C 1602758183 CZUQZOIOBGMGGP-UHFFFAOYSA-N 243.314 2.553 30 20 BFED C=C(C)CCN[C@@H](C)c1cc(C(=O)O)co1 1602760917 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82503572 GUMHHLSBBPAHLQ-LBPRGKRZSA-N 220.291 2.916 30 20 BFED N#CC1(C(=O)Nc2cccc(Cl)c2)CCC1 83794813 BUADUCFGJZIFKZ-UHFFFAOYSA-N 234.686 2.972 30 20 BFED CCCC[S@](=O)Cc1ccccc1C#N 84265679 CLPCITHJKURIRA-OAHLLOKOSA-N 221.325 2.607 30 20 BFED N#C[C@@H]1CCCN(C/C(Cl)=C\Cl)C1 86000120 IZOWPOMWSQXMBY-DHFUWRPHSA-N 219.115 2.541 30 20 BFED C[C@@]1(CNc2ncccc2C#N)CCCS1 87620070 LIADEBILFZXOOL-LBPRGKRZSA-N 233.340 2.651 30 20 BFED C=CCCOC(=O)CCc1ccccc1F 103650633 UXZUGPCKSRKENM-UHFFFAOYSA-N 222.259 2.878 30 20 BFED C[C@@H](CC1CCCC1)C(=O)N[C@@H](C#N)C1CC1 114332705 ZROPHXKDFCKVED-GWCFXTLKSA-N 234.343 2.621 30 20 BFED C=CC[C@@H](C)NCc1ccc(OC)c(F)c1 116927552 KAVQPXNERMUHSS-SNVBAGLBSA-N 223.291 2.889 30 20 BFED C=CCC[C@@H](C)NCCC1CCN(C)CC1 122637373 CJEIEOZANCGRNW-CYBMUJFWSA-N 224.392 2.663 30 20 BFED CC[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 125865393 ZPKHKZSNBXTONR-LLVKDONJSA-N 232.302 2.929 30 20 BFED N#C[C@@H](C(=O)C(C1CC1)C1CC1)c1ccccn1 126065120 CHPPAMCXELWNTQ-GFCCVEGCSA-N 240.306 2.694 30 20 BFED C=C(CN[C@H](C)[C@H]1CCOC1)c1ccccc1 129947658 TXHYKKVPKIUZSS-HIFRSBDPSA-N 231.339 2.714 30 20 BFED CC#CCCOc1ccc(C(C)=O)cc1OC 133186042 RDNVQBVGZVPXDV-UHFFFAOYSA-N 232.279 2.690 30 20 BFED C=C[C@@](C)(CC)C(=O)N(C)Cc1ccc(O)cc1 134943873 ZUNRILRCNKAVCJ-HNNXBMFYSA-N 247.338 2.953 30 20 BFED C#CCCCCNC(=O)Cc1ccc(Cl)cc1 156486285 LALGKIGXAKEDQP-UHFFFAOYSA-N 249.741 2.802 30 20 BFED CC#CCN1CCO[C@@H](c2ccc(Cl)cc2)C1 157740982 BBVWCRUFLKEFEG-CQSZACIVSA-N 249.741 2.737 30 20 BFED C=C[C@H](C)NC(=O)CCCSC(C)(C)C 158566944 XZFPRVAATRIIGI-JTQLQIEISA-N 229.389 2.989 30 20 BFED C[C@H](CC#N)Nc1nc(C(C)(C)C)ns1 159176660 SIVRWGMOSUKCEL-SSDOTTSWSA-N 224.333 2.550 30 20 BFED C=CCN(C)C(=O)C(C)(C)C1CCCC1 161640416 NEABCJOLJPRBDZ-UHFFFAOYSA-N 209.333 2.847 30 20 BFED C=CCCNC(=O)CCCOc1ccccc1C 162240746 HEEYZYWJIYXNBQ-UHFFFAOYSA-N 247.338 2.846 30 20 BFED CC#CCCNCc1cc(F)c(F)c(F)c1 163419859 YBNUZTJWQDLVJE-UHFFFAOYSA-N 227.229 2.607 30 20 BFED C=CCCC(=O)Nc1ccnn1-c1ccccc1 174198097 AYEIROULMHWJBR-UHFFFAOYSA-N 241.294 2.777 30 20 BFED C=CCCCC(=O)Nc1nc2ccccc2[nH]1 175075059 DQNHKBUZEXDQHR-UHFFFAOYSA-N 229.283 2.858 30 20 BFED C=CCCCC(=O)Nc1sccc1C#N 175598478 CAZVRYAESYVDEY-UHFFFAOYSA-N 220.297 2.915 30 20 BFED C=C(C)CN(C)C(=O)[C@@H]1CCC[C@@H](C)C1 180441088 WCFOJRLTWYPNJI-VXGBXAGGSA-N 209.333 2.847 30 20 BFED CC[C@@H](C)[C@H](C)C(=O)N(CC#N)C1CCCC1 180672849 IMSPCKFBCQDDRB-NEPJUHHUSA-N 236.359 2.963 30 20 BFED Cc1c(C#N)cccc1NCc1ccccn1 181447911 ZWGKEJYYJDEZDJ-UHFFFAOYSA-N 223.279 2.874 30 20 BFED C=CCCC[C@H](C)NC(=O)NCc1cccnc1 183500713 VANGCDXSHZUQNO-LBPRGKRZSA-N 247.342 2.626 30 20 BFED C#CCC(C)(C)C(=O)NCCCC(C)C 185063900 ICPRZJDXPDJGPE-UHFFFAOYSA-N 209.333 2.588 30 20 BFED C#CCC(C)(C)C(=O)N(CCC)CCC 185160148 GEBBWAPTSZZIOQ-UHFFFAOYSA-N 209.333 2.685 30 20 BFED C#C[C@H](C)NC(=O)[C@H](CC)Sc1ccccc1 186002916 YFHVBVLIHLURPP-AAEUAGOBSA-N 247.363 2.695 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1cccnc1OC 187828298 SCTLAGKWXIIWHT-CYBMUJFWSA-N 234.299 2.631 30 20 BFED CCCCN(CC)Cc1cc(C#N)n(C)c1 191165315 RDLGQAMCHWFSMI-UHFFFAOYSA-N 219.332 2.519 30 20 BFED C=CCCCC(=O)N1CCS[C@H](C)CC1 191423014 ICWLAOVHGKYZLO-LLVKDONJSA-N 227.373 2.697 30 20 BFED C#CCCCC(=O)N(C)c1ccc(OC)c(F)c1 192385583 KYYPRJLAAJFAMB-UHFFFAOYSA-N 249.285 2.601 30 20 BFED CC(C)C[C@H](NCC#N)c1ccccc1 192512828 LRZCIZRZWNQYHY-ZDUSSCGKSA-N 202.301 2.887 30 20 BFED N#C[C@@H]1CCC[C@H](Nc2cnn(CC3CC3)c2)C1 193104763 FOFREFNBJUHAMH-OLZOCXBDSA-N 244.342 2.787 30 20 BFED Cc1ccc(OC[C@H](C#N)CCC#N)cc1F 193439006 UJPJAAOOUHRWAN-NSHDSACASA-N 232.258 2.956 30 20 BFED COc1ccc(CNC(C)(C)C2CC2)cc1C#N 230673732 RDUVGSUNBIMHGO-UHFFFAOYSA-N 244.338 2.845 30 20 BFED C[C@H](C#N)CNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 245850522 BGQIMYIVJJHFKO-YIYPIFLZSA-N 248.370 2.869 30 20 BFED C[C@H]1CC[C@H](NC(=O)c2cccc(C#N)c2)CC1 252965126 RQKRJHZKRAQUAU-YEORSEQZSA-N 242.322 2.867 30 20 BFED O=C(/C=C\c1csnn1)C1CCCCC1 255296901 FGMMPYLGPUTHPJ-SREVYHEPSA-N 222.313 2.701 30 20 BFED N#Cc1cn(C/C=C\Cl)c2ccccc2c1=O 255396277 FNHAUKRCTPKYOH-UTCJRWHESA-N 244.681 2.626 30 20 BFED CCCN(CC#N)C/C=C\c1ccccc1OC 255726356 NIPFARBNASXHKR-VURMDHGXSA-N 244.338 2.944 30 20 BFED CCC[C@@H]1CCCC[C@@H]1C/N=C(\N)N1CCC1 263108565 KWUHHIVFWMEOSL-CHWSQXEVSA-N 237.391 2.613 30 20 BFED CCc1ccc(NC(=O)N(C)C[C@H](C)C#N)cc1 263640323 AELBBDONJRGKBG-LLVKDONJSA-N 245.326 2.872 30 20 BFED C=CC[C@@H](C)NC(=O)Cc1ccc(C(C)=O)cc1 265360157 WQMQBJJKSGNUGB-LLVKDONJSA-N 245.322 2.513 30 20 BFED C=CC[C@H](C)NC(=O)Nc1sc(C)nc1C 268139951 FQRINSXAHUTIQQ-ZETCQYMHSA-N 239.344 2.846 30 20 BFED C=CCCCCNc1nccc(C#N)c1[N+](=O)[O-] 274417735 BINVXLMPQPZWGB-UHFFFAOYSA-N 246.270 2.630 30 20 BFED C=CCCN(C)C(=O)NC[C@@H]1CC=CCC1 276019610 AQFYCGCQFPGXJI-GFCCVEGCSA-N 222.332 2.560 30 20 BFED CC1(C)CCCN(C(=O)C[C@@H]2C=CCC2)[C@@H]1C#N 278028674 UGQKYXWOHXEXFP-CHWSQXEVSA-N 246.354 2.883 30 20 BFED CC1=CCCN(Cc2cccc(C#N)c2)C1 280882433 PHKHPRQSAPRLSD-UHFFFAOYSA-N 212.296 2.710 30 20 BFED C#C[C@H](NC(=O)c1ccc(C=C)cc1)C(C)C 281985280 JOZVXDJTNMLDIV-AWEZNQCLSA-N 227.307 2.717 30 20 BFED CC[C@@H](CC(=O)Nc1[nH]nc(C)c1C#N)C(C)C 287724577 BJLLHKCBHGBZAG-JTQLQIEISA-N 248.330 2.601 30 20 BFED CN(CCc1cccs1)[C@H]1CC[C@H](C#N)C1 292914249 XIUDVVITSIDZAD-RYUDHWBXSA-N 234.368 2.915 30 20 BFED C=CCCCCCCNC(=O)[C@@H]1CC1(F)F 295775271 QBMVADQXQLLJID-JTQLQIEISA-N 231.286 2.894 30 20 BFED Cc1ccc(C(C)(C)C(=O)N(C)[C@@H](C)C#N)cc1 297638709 ANFVNBHAUQJVOY-LBPRGKRZSA-N 244.338 2.643 30 20 BFED N#CCCCCNc1nnc(C2CC2)s1 301740193 UBVUEKCHIQHFAM-UHFFFAOYSA-N 222.317 2.521 30 20 BFED C=C[C@H](N[C@H](CC)C1CCCCC1)C(=O)OC 304189508 AWEXLKXCXYDDKF-OLZOCXBDSA-N 239.359 2.663 30 20 BFED N#Cc1ccc(NC(=O)c2ccoc2)cc1F 307969285 WBOBBRWOFSDUGN-UHFFFAOYSA-N 230.198 2.543 30 20 BFED Cc1ccc(F)cc1Oc1ncncc1C#N 310261414 ZLKFOHNUWQUICU-UHFFFAOYSA-N 229.214 2.588 30 20 BFED N#Cc1nccc(Oc2ccc(Cl)c(F)c2)n1 310265010 MIHUINOSDGJNDP-UHFFFAOYSA-N 249.632 2.933 30 20 BFED N#Cc1cccc(N2CCCCCC2)c1[N+](=O)[O-] 310778715 OJFCIPXEBZQEOD-UHFFFAOYSA-N 245.282 2.847 30 20 BFED C=CCC[C@H](CO)N[C@@H]1CCCc2occc21 321440836 MOBZRVLXQKHPSJ-DGCLKSJQSA-N 235.327 2.574 30 20 BFED C[C@H](C#N)C(=O)N[C@H]1c2ccccc2CC[C@H]1C 332669787 HJFXXCKYUCYRKZ-JTNHKYCSSA-N 242.322 2.586 30 20 BFED N#CC1(CN2CC[C@H]3CCC[C@@H]32)CCC1 334628079 NKTAKBXGWFRSNB-NEPJUHHUSA-N 204.317 2.555 30 20 BFED CC1=CCCN(c2ccc(Cl)c(C#N)n2)C1 334710215 GAVMMWBBBRJBKH-UHFFFAOYSA-N 233.702 2.763 30 20 BFED C[C@@H]1c2ccsc2CCN1C(=O)CCCC#N 334799441 JDIFRYRTYNKHRD-SNVBAGLBSA-N 248.351 2.888 30 20 BFED C=C[C@H]1CCCCN1c1ccc(C(C)=O)cn1 336092789 BFEOQQJMTKTAML-ZDUSSCGKSA-N 230.311 2.829 30 20 BFED Cc1cc(C)c2oc(=N[C@@H](C)CC#N)[nH]c2c1 336188405 HKLQIDJVZMNQJR-JTQLQIEISA-N 229.283 2.581 30 20 BFED C=CCC1(C(=O)N2CCC(=O)CC2)CCCCC1 336239531 XSZDPWUYKWBHOS-UHFFFAOYSA-N 249.354 2.705 30 20 BFED CC(C)(C(=O)Nc1cccc(C#N)c1)C(F)F 336459229 ATCHEKVGTDPQAU-UHFFFAOYSA-N 238.237 2.788 30 20 BFED C=CC[C@H](CC)NC(=O)C[C@H](OCC)C(C)C 337083333 BOCLLQOFUYCZLF-STQMWFEESA-N 241.375 2.909 30 20 BFED C=C(C)CN(C)c1cc(OC)ccc1[N+](=O)[O-] 338690115 SFXHOANOBOTHKO-UHFFFAOYSA-N 236.271 2.616 30 20 BFED C=CC[C@H](C)NC(=O)c1ccnc(C2CC2)c1 341323576 QNIYXRKPQASEBG-JTQLQIEISA-N 230.311 2.653 30 20 BFED C=CCCN(C)C(=O)c1cc(C(C)C)nn1CC 341950472 ODVCDWWCAVVGCQ-UHFFFAOYSA-N 249.358 2.675 30 20 BFED C=CCCN(C)C(=O)c1cc(F)cc(F)c1 341984351 OPYOGIXDOYDBHU-UHFFFAOYSA-N 225.238 2.613 30 20 BFED C=CCCCCCN(C)Cc1ncc(C)n1C 342808662 SIPNLDPVHKGDIW-UHFFFAOYSA-N 235.375 2.907 30 20 BFED C=CC[C@@H](CC)NC(=O)N[C@@H]1C=CCCC1 344325567 HUXDMBMEBOBXTA-VXGBXAGGSA-N 222.332 2.749 30 20 BFED Cc1ccccc1[C@@H](NC(=O)[C@@H](C)C#N)C(C)C 345637313 XCBXSFIZUCCZDM-JSGCOSHPSA-N 244.338 2.968 30 20 BFED C=CCN(C)C(=O)c1ccn(C)c1C1CCC1 347473447 XKIVCBOWLUFMMD-UHFFFAOYSA-N 232.327 2.551 30 20 BFED CC(C)(C#N)CCSc1cccc(C(N)=O)c1 351710607 RNBVOFGZFUJBLV-UHFFFAOYSA-N 248.351 2.817 30 20 BFED Cc1oc2ncnc(NCC(C)(C)C#N)c2c1C 352197727 CXKWZDOIXNFUJF-UHFFFAOYSA-N 244.298 2.801 30 20 BFED CC#CCCNCc1ncc(CSC)s1 352818763 WDJVXHIKSQGXKT-UHFFFAOYSA-N 240.397 2.509 30 20 BFED CSC[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 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233.311 2.575 30 20 BFED CCc1nc(NCCCC#N)c2ccsc2n1 273346419 ONLQOAYIQGSUNA-UHFFFAOYSA-N 246.339 2.969 30 20 BFED C[C@H]1CCN(c2cccc(C#N)n2)CC1(C)C 273546567 XVCKSFHELIHNNF-NSHDSACASA-N 229.327 2.826 30 20 BFED CC[C@@H](CC#N)NC(=O)/C=C1/CC[C@H](C)C1 273872031 OUMGLDTWGUTNLZ-JHSTVQJJSA-N 220.316 2.541 30 20 BFED C=CC[C@H]1N(C(=O)C2CC(=O)C2)CCCC1(C)C 278358524 HGKMWVQMOLCVBB-CYBMUJFWSA-N 249.354 2.559 30 20 BFED CC1(C)CCN(C(=O)c2ccc(F)c(C#N)c2)C1 278708299 BTZAFGFENJTPNO-UHFFFAOYSA-N 246.285 2.569 30 20 BFED CCc1cccc(NC(=O)N2CC(C)(C#N)C2)c1 280954314 KDFFSUHSZPBGBG-UHFFFAOYSA-N 243.310 2.626 30 20 BFED C=CC[C@H](CC)NC(=O)N(C)Cc1cccnc1 281381474 OLXJPHDOSQQRKX-ZDUSSCGKSA-N 247.342 2.578 30 20 BFED C=CCN(CC=C)C(=O)c1ccoc1CC 282073687 VRNPGAVXEHDXDW-UHFFFAOYSA-N 219.284 2.656 30 20 BFED C=C(C)CCN1CCCc2occc2C1 288808484 MGACGKBXRAAJTB-UHFFFAOYSA-N 205.301 2.994 30 20 BFED C=C[C@H](CO)N[C@@H]1CCCc2ccc(C)cc21 290000712 ZAUNZQNEVWOTDA-UKRRQHHQSA-N 231.339 2.509 30 20 BFED 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BFED C[C@]1(C#N)CCCN(C(=O)C[C@@H]2CC[C@H]3C[C@@H]23)C1 590705484 CUDYBYIEAJEUOJ-RMRHIDDWSA-N 246.354 2.575 30 20 BFED CCCc1[nH]ccc1C(=O)N[C@@H](C#N)CC(C)C 591529281 VFFRUBJJRZKJQR-LLVKDONJSA-N 247.342 2.635 30 20 BFED CC[C@H](C)[C@@H](C)N=c1[nH]c(C#N)c(Cl)s1 596088231 MZRLYSOMUWLIDX-NKWVEPMBSA-N 243.763 2.937 30 20 BFED C=CC[C@@H]1CCCN(c2cnccc2C#N)C1 596429347 WQCZPXKPRGSPOA-GFCCVEGCSA-N 227.311 2.746 30 20 BFED CCC[C@@H]1CCC[C@@H]1C(=O)N(CC)[C@@H](C)C#N 598363580 HMWUINYDZNVLKB-XQQFMLRXSA-N 236.359 2.963 30 20 BFED CC[C@@H](CC#N)NC(=O)C[C@@H](C)c1ccco1 599760752 ROFQOXBWYAXFQM-MNOVXSKESA-N 234.299 2.582 30 20 BFED N#CCn1cc(-c2cccc3c2CCC3)cn1 600790817 UMUNATQWXRDVQM-UHFFFAOYSA-N 223.279 2.562 30 20 BFED C[C@H](O)CSc1ccc(Cl)cc1C#N 601912235 JMBOXDUEQKRMDB-ZETCQYMHSA-N 227.716 2.685 30 20 BFED CCC[C@H](CC(C)C)C(=O)Nc1c[nH]nc1C#N 602358731 LNYKFFMECDLKKT-SNVBAGLBSA-N 248.330 2.682 30 20 BFED CC[C@@H]1CCCN(Cc2cccc(C#N)n2)CC1 602476222 WTDUTDCRBGPJLA-CYBMUJFWSA-N 243.354 2.965 30 20 BFED 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C=C(CC)COC(=O)c1cnc2ccccc2n1 773451312 KKNKFLJDFXLMIE-UHFFFAOYSA-N 242.278 2.753 30 20 BFED CON=CC(=O)N(CCC(C)C)CCC(C)C 773773956 XTAXPFZPTCNESH-UHFFFAOYSA-N 242.363 2.539 30 20 BFED CCOCCON=Cc1c[nH]c2ccccc12 774440237 WZEYTXXBMLUMMI-UHFFFAOYSA-N 232.283 2.555 30 20 BFED N#CCCCOC(=O)c1cccc(Cl)c1O 775935017 HTTCCSXPEDVSBB-UHFFFAOYSA-N 239.658 2.506 30 20 BFED CC(=NO[C@H]1CCOC1)c1cc2ccccc2o1 783877518 RBHUWCZIQUCJRU-LBPRGKRZSA-N 245.278 2.962 30 20 BFED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CC1(Cl)Cl 785857279 DVIOKVNXVBMQOK-BDAKNGLRSA-N 248.153 2.747 30 20 BFED C=C[C@H]1CCCCN1C[C@H](O)c1cccc(F)c1 785999493 VZJRLGOWSREJQJ-GJZGRUSLSA-N 249.329 2.900 30 20 BFED C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc[nH]1 787300113 FKCYCLDKUQAFKL-NEPJUHHUSA-N 247.342 2.826 30 20 BFED C#CCC1(C(=O)Nc2ccon2)CCCCC1 788524460 ZJTTZPKBWJOHBL-UHFFFAOYSA-N 232.283 2.587 30 20 BFED CCCCCCCCONC(=N)[C@H](C)OC 790504983 ZPPGGFVLYZFWKO-NSHDSACASA-N 230.352 2.880 30 20 BFED N#Cc1ccc(C(=O)OCC2=CCCC2)s1 790825174 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C[C@H]1CCCC(=NNC[C@@H]2CCSC2)C1 811662271 GSNSXURMUQFDQF-QWRGUYRKSA-N 226.389 2.895 30 20 BFED c1ccc(N2CCC(=NOC3CCC3)CC2)nc1 812235648 LUOVAUXGJKXCKB-UHFFFAOYSA-N 245.326 2.607 30 20 BFED Cc1c(C)c(O)c(C=NOCC2CC2)c(C)c1O 814243765 MLZMOODOJJBWHO-UHFFFAOYSA-N 249.310 2.784 30 20 BFED CCO[C@@H]1CC(=NOCCC2CC2)C1(C)C 814246396 KTEDGPCJVOZMAE-GFCCVEGCSA-N 225.332 2.994 30 20 BFED COCCC(C)=NOCc1ccccc1 814792145 POYNZMMINVVPEN-UHFFFAOYSA-N 207.273 2.616 30 20 BFED C1COC[C@@H](NN=C2CCCC23CCCC3)C1 814908332 NQYRFUGIDQAZHL-LBPRGKRZSA-N 236.359 2.855 30 20 BFED CCC[C@@H](C)OC(=O)c1ncc(C#N)cc1C 815338522 CYXDLLQBTHDERN-SNVBAGLBSA-N 232.283 2.607 30 20 BFED C=CCCCC[C@H](C)N[C@@H](CCO)C1CC1 823931955 VGJGVXKIJGPDTN-JSGCOSHPSA-N 225.376 2.872 30 20 BFED C=C(CC)CN[C@@H]1CC[C@H]2SCCS[C@H]12 825221398 LCCXUTMYBDDYQX-IJLUTSLNSA-N 243.441 2.922 30 20 BFED C#Cc1cccc(CN[C@H](C)C2CCC2)c1 825226542 IYMFRVVAIYYFCF-GFCCVEGCSA-N 213.324 2.946 30 20 BFED C#Cc1cccc(CN[C@@H]2CC[C@H]2CC)c1 825227017 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CC(C)CCCCC(=O)OCCO[C@H](C)C#N 838430797 URGNZCMFHVDMHC-GFCCVEGCSA-N 241.331 2.675 30 20 BFED C#CCC[C@@H](C)OC(=O)c1cncc(CC)c1 839038569 JRLRCSVZNWBPKR-LLVKDONJSA-N 231.295 2.603 30 20 BFED CCCSCC(=O)O[C@H]1CCC[C@H](C#N)C1 839047819 ISAQRXIRNFXNLY-QWRGUYRKSA-N 241.356 2.755 30 20 BFED C/C(=C/C(C)(C)C)C(=O)NCC1(C#N)CCC1 841467444 SKNCUHQNGGXHNO-FLIBITNWSA-N 234.343 2.789 30 20 BFED CC(C)C[C@H](C)ON=C1CCCOCC1 842038444 GGJXXLUVUQHPLL-NSHDSACASA-N 213.321 2.994 30 20 BFED C#CCCCSCCC1CCOCC1 842179043 UVBVVHZCXWFQTB-UHFFFAOYSA-N 212.358 2.950 30 20 BFED C[C@@H](CO)N(C)N=C1CCC2(CCCC2)CC1 842539889 CRQBPEFCXYETCA-LBPRGKRZSA-N 238.375 2.789 30 20 BFED CCCON=Cc1csc(-c2ccccn2)n1 842557764 SJJGIYXSTDBBCX-UHFFFAOYSA-N 247.323 2.966 30 20 BFED N#C[C@H](C(=O)CC1CC1)c1nc(C2CC2)cs1 842938356 JMGFWNOVESTLJS-SNVBAGLBSA-N 246.335 2.997 30 20 BFED CC(C)(C#N)OC(=O)[C@H]1CCc2cc(F)ccc21 850894017 UTZNZCNHIKRTOH-LBPRGKRZSA-N 247.269 2.701 30 20 BFED C#CCOCCN1CCC[C@H]1c1cccs1 851713226 CHDLOHYYPHQLRG-LBPRGKRZSA-N 235.352 2.535 30 20 BFED C(=NOC1CCCC1)c1ccnn1CC1CC1 853327857 DRVOOTONDCSFBR-UHFFFAOYSA-N 233.315 2.586 30 20 BFED N#CCC1(CON=Cc2ccc(F)cc2)CC1 853640623 NSOXMPQWEFEIOY-UHFFFAOYSA-N 232.258 2.870 30 20 BFED Cc1ccc(NC(=O)C#CC(C)C)cc1F 854168875 GZTZJWFXGGUNST-UHFFFAOYSA-N 219.259 2.732 30 20 BFED C#Cc1cccc(NC(=O)N[C@H](CC)C2CC2)c1 854262894 NXTHUCBMINEXTO-CQSZACIVSA-N 242.322 2.978 30 20 BFED C=CCCSCCNC(=O)/C=C\CCC 855384321 FKNPDJQIIGIUDK-FPLPWBNLSA-N 227.373 2.768 30 20 BFED C=CCCONC(=O)C(C)(C)CC(C)C 856032106 GXVBAPKYRGQZFK-UHFFFAOYSA-N 213.321 2.683 30 20 BFED C/C(=C/C(=O)N(C)CCC#N)c1cccs1 856742318 KAYLYAATJBULRH-KTKRTIGZSA-N 234.324 2.523 30 20 BFED Cc1ccc(C(=O)NCC2CC(C)C2)cc1C#N 857408100 PITHKDGLHUXTAX-UHFFFAOYSA-N 242.322 2.643 30 20 BFED CCCC[C@@](C)(F)C(=O)N[C@H](C#N)CC(C)C 857601750 RWWQEMUHFWNQJF-WCQYABFASA-N 242.338 2.959 30 20 BFED C#CCCOC(=O)N(CC=C)Cc1ccccc1 858894620 LXVNFMZWZXTAOY-UHFFFAOYSA-N 243.306 2.835 30 20 BFED C#CCCOC(=O)N[C@@H](C)C[C@@H](C)CC 859030226 BGHIAHBNTLOWCB-QWRGUYRKSA-N 211.305 2.561 30 20 BFED C#C[C@@](C)(CC)NC(=O)C[C@H](C)c1ccco1 861857837 IPQKGFNTMJZOEO-FZMZJTMJSA-N 233.311 2.691 30 20 BFED CCCCNN=C1CCCc2scnc21 863080043 KUIPJADNIANZKA-UHFFFAOYSA-N 223.345 2.573 30 20 BFED C=CCC1(C(=O)N[C@@H]2CC23CCC3)CCC1 874781086 VSEHDHRMPLMKOO-LLVKDONJSA-N 219.328 2.792 30 20 BFED C=C/C=C\CCN(CC=C)[C@@H](C)COC 878889748 HMXMMENYZPLDKT-WSROAFLRSA-N 209.333 2.642 30 20 BFED C=CCN(CC=C)Cc1cnc(F)cc1C 891449484 XMKFLSIEBBKLBL-UHFFFAOYSA-N 220.291 2.703 30 20 BFED C=CC1(OC(=O)C2CCC=CCC2)CC1 893358598 FGYIHDWHVXHYQF-UHFFFAOYSA-N 206.285 2.995 30 20 BFED C=C[C@@H]1CCCCN1c1nccnc1Cl 893551379 KSXZCYRFCSANKT-SECBINFHSA-N 223.707 2.675 30 20 BFED C#CC[C@@H](NCc1ocnc1C)c1ccccc1 894361991 OXKGMAWKKRPRHN-CQSZACIVSA-N 240.306 2.837 30 20 BFED C=C[C@H](CC)Cc1nc(Cc2conc2C)no1 904101580 WLSQRNRAEUBUDH-SNVBAGLBSA-N 247.298 2.712 30 20 BFED Cc1oc(C(C)(C)C)cc1C(=O)N(C)[C@H](C)C#N 905728013 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2.886 30 20 BFED C[C@@H](CC#Cc1cccnc1)OC(=O)CC1CC1 1343721715 XUARQOSXQFPMKM-LBPRGKRZSA-N 243.306 2.555 30 20 BFED CCC[C@@H](C)C(=O)[C@H](C#N)c1nccn1CC 1344874719 FYMPGVSLPALOIU-MNOVXSKESA-N 233.315 2.515 30 20 BFED CCCc1occc1C(=O)N(CC)[C@@H](C#N)CC 1349905823 GNIMSFPXNJGRLL-LLVKDONJSA-N 248.326 2.996 30 20 BFED C#CCCCCNC(=O)N1CCC[C@H]1CCC 1350785761 PHJPLVTWVYFXJZ-CYBMUJFWSA-N 236.359 2.764 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)c1cccc(C)c1 1518561560 DTRPWLLCDAZBKT-ZDUSSCGKSA-N 230.311 2.759 30 20 BFED C=CCCCCN1CCC[C@H](C)[C@H]1C(=O)O 1588458534 RHFBCGDQUMOZON-RYUDHWBXSA-N 225.332 2.528 30 20 BFED C=C(C)CCN[C@@]1(C)CCCC[C@H]1C(=O)O 1588559413 ONVIDEHEXXGIRN-AAEUAGOBSA-N 225.332 2.576 30 20 BFED C=C(C)CCN[C@](CC)(C(=O)O)c1ccccc1 1588559784 SVJVNWOFXHBDMO-HNNXBMFYSA-N 247.338 2.932 30 20 BFED C=C(C)CNc1cc(C(=O)O)ccc1F 1588570181 UJYQYYOVLGUTGM-UHFFFAOYSA-N 209.220 2.512 30 20 BFED C=C(Cl)COc1cnc(Cl)cc1C(=O)O 1588643550 KRJKKDODLBFNTF-UHFFFAOYSA-N 248.065 2.565 30 20 BFED C=C[C@@H](N[C@H](C)c1cc(C)cc(C)c1)C(=O)O 1602815682 CJRQUPDPTRGWBH-DGCLKSJQSA-N 233.311 2.593 30 20 BFED C=C(C)CC[C@H](C)Nc1ncc(C(=O)O)c(C)n1 1776138878 FSXJHUKBGANRIN-VIFPVBQESA-N 249.314 2.640 30 20 BFED C=CC[C@@]1(C(=O)O)CCCN(C[C@H](C)CC)C1 1776154480 CRLLRMVIKUYHQU-TZMCWYRMSA-N 239.359 2.775 30 20 BFED C=CCC[C@@H]1CCCN1Cc1ccoc1C(=O)O 1776170870 WYAUXXALUSUGNB-GFCCVEGCSA-N 249.310 2.908 30 20 BFED C=CCNC(=S)N[C@H](C)c1ccc(C)cc1 13816346 MQEJQRFCZPSTGG-LLVKDONJSA-N 234.368 2.706 30 20 BFED C=CCNC(=O)c1cc2ccccc2c(Cl)n1 36951582 GCPBJCGVEUAVFS-UHFFFAOYSA-N 246.697 2.804 30 20 BFED C=C(Br)CNC(CC)CC 37680866 KFGGPKXTZDMBKE-UHFFFAOYSA-N 206.127 2.673 30 20 BFED CN(C[C@H]1CCCCO1)c1ccc(C#N)cc1F 42466254 ZICSTYNLVBZNHR-GFCCVEGCSA-N 248.301 2.703 30 20 BFED CC1(NC(=O)c2ccc(C#N)cc2)CCCC1 49123618 DCWYVJVNMMRPCG-UHFFFAOYSA-N 228.295 2.621 30 20 BFED CN(CCC#N)c1nc(Cl)nc2ccccc12 52811416 AALDWESTZAWDHC-UHFFFAOYSA-N 246.701 2.633 30 20 BFED C[C@H](CC#N)NCc1cccc2cccnc12 67406548 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233.311 2.722 30 20 BFED C#CCCOC(=O)N1CC[C@@H](C)C2(CCC2)C1 859092461 ONBCNFQDVSLUOQ-GFCCVEGCSA-N 235.327 2.658 30 20 BFED C#CCCOC(=O)NCCCc1ccccc1F 859144119 MONICXMQYWWDKL-UHFFFAOYSA-N 249.285 2.508 30 20 BFED CC(=NOC1CCC1)c1cc(O)ccc1F 872377376 ZULYIPHVIGDZAW-UHFFFAOYSA-N 223.247 2.824 30 20 BFED C#CCCCCCCNC[C@@](C)(OC)C1CC1 877541721 LIHUSRSWXZCXSQ-OAHLLOKOSA-N 237.387 2.975 30 20 BFED C=CC(C)(C)CC(=O)N1CC(C)(CC)C1 880073885 CKSUFPSEBBCJLG-UHFFFAOYSA-N 209.333 2.847 30 20 BFED N#Cc1cccc(Cl)c1N1C[C@H]2C[C@@H]2C1 884588245 BPNZACDKSCEYKK-NXEZZACHSA-N 218.687 2.668 30 20 BFED C#CCC1(C(=O)N(C)c2ccon2)CCCCC1 892455898 CMIIZHGEARTLMI-UHFFFAOYSA-N 246.310 2.611 30 20 BFED C=CC1(OC(=O)C=C2CCSCC2)CC1 893363974 JKLOZEQLUNMWDI-UHFFFAOYSA-N 224.325 2.702 30 20 BFED CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)C1CCCC1 893708686 HQMCHFARAARPJX-MCIONIFRSA-N 248.370 2.867 30 20 BFED C=C1CC(c2noc(C3(C)CCOCC3)n2)C1 896884507 MIULJVKIFPETCR-UHFFFAOYSA-N 234.299 2.571 30 20 BFED C=C1CCC(C(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)CC1 896985533 LCSPRJAUGDVPIH-IGQOVBAYSA-N 245.366 2.894 30 20 BFED C=C(C)CNc1ccc(C(=O)NCC)cc1C 917826119 USHFWXAUGZYYOM-UHFFFAOYSA-N 232.327 2.733 30 20 BFED C[C@@H](NN=Cc1ccncc1)c1ccccc1 920386030 OILVIHWRKSEAKN-GFCCVEGCSA-N 225.295 2.766 30 20 BFED C[C@@H](CNC(=O)Nc1sccc1C#N)C1CC1 931844993 JWUBMLLWTVOTAC-QMMMGPOBSA-N 249.339 2.787 30 20 BFED C=C[C@@H](CC)CC(=O)N1CCO[C@H](CCC)C1 935122293 FTMWKBNTZKSGFR-QWHCGFSZSA-N 239.359 2.616 30 20 BFED C=CCC1(C(=O)Nc2nc(C)ncc2C)CCC1 1119455922 CAGBDPIEMDQDRW-UHFFFAOYSA-N 245.326 2.778 30 20 BFED C[C@H](NCc1cccc(C#N)n1)c1ccsc1 1181196574 RIVNOPUIDUUZOE-JTQLQIEISA-N 243.335 2.866 30 20 BFED Cc1cc(C#N)nc(N[C@@H]2CCC[C@@H](F)C2)c1 1262371048 ZHLBTPGUJUAAQD-GHMZBOCLSA-N 233.290 2.954 30 20 BFED C#CCN(CC1=Cc2ccccc2OC1)C(C)C 1262376681 ZRNBERDCXRLKPK-UHFFFAOYSA-N 241.334 2.806 30 20 BFED C=C(C)CCC(=O)N(C)CCC1CCOCC1 1262613893 STXWWXUYMMDEDK-UHFFFAOYSA-N 239.359 2.618 30 20 BFED C=CCN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1F 1262708703 LTRBBVHOYHCCRU-STQMWFEESA-N 233.286 2.559 30 20 BFED C=C(C)[C@@H](C)OC(=O)c1cc(C)nc(C)c1 1263458450 VHGPMXCAJXCPEK-LLVKDONJSA-N 219.284 2.820 30 20 BFED CCn1ccnc1[C@H](C#N)C(=O)[C@@H](C)C1CCC1 1263616812 JMYGOKIRTZMZOH-CMPLNLGQSA-N 245.326 2.515 30 20 BFED N#Cc1c(F)cccc1SCc1cc[nH]n1 1307350273 DAMVLSAWNBOXIG-UHFFFAOYSA-N 233.271 2.713 30 20 BFED C=C[C@@H](C)NC(=O)Nc1cc(F)cc(OC)c1 1319110520 DBEKCMAMIKFHCD-MRVPVSSYSA-N 238.262 2.530 30 20 BFED C#CCN(C)C(=O)N[C@@H](CC)c1ccc(F)cc1 1324014293 MBUFRKBZSBIFOZ-ZDUSSCGKSA-N 248.301 2.551 30 20 BFED C=C(C)CCC(=O)Nc1ccc(C)cc1O 1335969282 DSSAGMGWRKCFSJ-UHFFFAOYSA-N 219.284 2.995 30 20 BFED C#Cc1ccc(N2CCC3(CCCC3)C2)nc1 1337788533 RSRGRMPXZRIPDT-UHFFFAOYSA-N 226.323 2.833 30 20 BFED C=C[C@H](CC)OC(=O)[C@@H]1CCO[C@H](C(C)C)C1 1517746492 DLOZHDVIIXTTJH-UPJWGTAASA-N 240.343 2.945 30 20 BFED CC[C@H](C#N)N(CC)C(=O)[C@H]1CC[C@H](C)C1 1518552494 XMWRHJJOZFGJGM-SDDRHHMPSA-N 222.332 2.573 30 20 BFED C=CC[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]3CNC[C@@H]3C2)C1 1574899566 AVLPWSRMOOEKJY-RBGFHDKUSA-N 248.414 2.709 30 20 BFED C=CCCC(=O)Nc1cc(N)c(F)c(F)c1F 1574899575 CCFUREKDASBOPP-UHFFFAOYSA-N 244.216 2.591 30 20 BFED C=C(C)CNc1ccc(F)c(C(=O)O)c1 1602762332 HRTJBPPZCJTHGQ-UHFFFAOYSA-N 209.220 2.512 30 20 BFED CCCCCCCC(=O)OC1(C(=O)O)CC1 1609968243 AZVDVJXTRCTLNP-UHFFFAOYSA-N 228.288 2.507 30 20 BFED C=C(C)CCCN1CC[C@@H](C(=O)O)C12CCC2 1776138793 RGOKXGIFRHIJBE-LBPRGKRZSA-N 237.343 2.672 30 20 BFED C#Cc1cccc(NCc2ccccc2O)c1 19876858 RMPYUDGRMCSBCC-UHFFFAOYSA-N 223.275 2.986 30 20 BFED N#Cc1cccnc1NC[C@H]1Cc2ccccc21 37566393 MQTBULQPFSFVQJ-CYBMUJFWSA-N 235.290 2.705 30 20 BFED CCN(CCCCC#N)CC(F)(F)F 42764294 ASTJONMLCPLWBM-UHFFFAOYSA-N 208.227 2.564 30 20 BFED CC[C@@H](C#N)C(=O)N[C@H](C)CCCC(C)C 44825149 IAGUJSNNSJTBOT-NEPJUHHUSA-N 224.348 2.867 30 20 BFED CCCN(CC#N)Cc1cccc(F)c1 45092551 WYXPOJQLDNUIKS-UHFFFAOYSA-N 206.264 2.561 30 20 BFED CC(C)(C)n1cc(Nc2ncccc2C#N)cn1 49441674 WBOBDBMHHUFVSE-UHFFFAOYSA-N 241.298 2.648 30 20 BFED N#CCN(C(=O)c1cccc(F)c1)C1CCCC1 57535515 RJUDXLMVPFXBPO-UHFFFAOYSA-N 246.285 2.734 30 20 BFED C=CCCOc1cc(F)ccc1C(C)=O 70592601 WCEKEPBDXBQWCW-UHFFFAOYSA-N 208.232 2.983 30 20 BFED C[C@H](C#N)CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] 72581212 JFXKDEVVAGXWAH-MNOVXSKESA-N 247.298 2.747 30 20 BFED N#CCSCCCN1CCC[C@@H]2CCC[C@H]21 74991565 YEUWZUMSIODFHG-QWHCGFSZSA-N 238.400 2.898 30 20 BFED Cc1csc([C@@H](C#N)C(=O)CC2CCC2)n1 76763777 MGNPGDFKZRADCH-JTQLQIEISA-N 234.324 2.818 30 20 BFED Cc1cc(OCc2ccccc2C#N)nnc1C 78613104 WVVPMAXLUUSULX-UHFFFAOYSA-N 239.278 2.544 30 20 BFED C[C@@H](NC(=O)CC1CCC1)c1ccc(C#N)cc1 79484612 GWABVJPXUNVNNN-LLVKDONJSA-N 242.322 2.926 30 20 BFED C=C(CC)Cn1cc(Br)cn1 85064506 LACKHKOMRIZKOS-UHFFFAOYSA-N 215.094 2.612 30 20 BFED CC(C)c1nc(CNc2ccc(C#N)cc2)no1 86188586 FBKCVRDQGMZXGY-UHFFFAOYSA-N 242.282 2.677 30 20 BFED C=CCNC(=O)c1cnn([C@H](C)CC)c1C1CC1 89599625 VMBLEOJZVGHKIV-SNVBAGLBSA-N 247.342 2.647 30 20 BFED CC(C)[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1C#N 96523249 INZWRUAPUANYSM-SNVBAGLBSA-N 247.298 2.947 30 20 BFED Cc1ccc(C(=O)N2CCC[C@H](C)C2)cc1C#N 96617942 KGNGGTKYECDSTR-NSHDSACASA-N 242.322 2.739 30 20 BFED C=CCCOC(=O)CCc1ccc(F)cc1 103650322 VBULPPDQXDHKSB-UHFFFAOYSA-N 222.259 2.878 30 20 BFED CC/C=C(/C)C(=O)[C@H](C#N)c1ccccn1 105756385 SPSOBHWJCYMACK-SDKXAQGSSA-N 214.268 2.614 30 20 BFED C=CCN1CCCC[C@H]1[C@H](O)c1ccccc1 117138116 KXIRCYINXJEHOB-LSDHHAIUSA-N 231.339 2.761 30 20 BFED C=CCCSc1n[nH]c(-c2cccnc2)n1 128785369 BCTJHRMEMRFEAJ-UHFFFAOYSA-N 232.312 2.535 30 20 BFED CCC[C@H](C)Nc1nccc(C)c1C#N 129317580 XOOYOUWIPGRGJA-JTQLQIEISA-N 203.289 2.862 30 20 BFED CC1(C)CCN(c2cccnc2C#N)CC1 129996899 XNHVQQTUBMNZDV-UHFFFAOYSA-N 215.300 2.580 30 20 BFED Cc1ccnc(N2CCc3ccccc3C2)c1C#N 135058484 UVFWFDCZVZTQIH-UHFFFAOYSA-N 249.317 2.824 30 20 BFED CC(C)(CCC#N)CNC1CCN(C2CC2)CC1 135137856 ACBADISIRSCQBF-UHFFFAOYSA-N 249.402 2.533 30 20 BFED N#Cc1ccncc1N1CC[C@@H](c2ccccc2)C1 135603555 HFOKOROPZXWQSU-OAHLLOKOSA-N 249.317 2.947 30 20 BFED C=CCN(C)C(=O)c1cnn(C(CC)CC)c1C 152912189 ODUQVURVTWKPJB-UHFFFAOYSA-N 249.358 2.811 30 20 BFED CC[C@@H](CC(=O)NCC#N)c1ccc(C)cc1 157912849 JQOSCXKQYMYNMF-LBPRGKRZSA-N 230.311 2.519 30 20 BFED Cc1csc([C@@H]2CCCN(C(C)(C)C#N)C2)n1 160783123 UUNWBAXXHKJOKS-LLVKDONJSA-N 249.383 2.933 30 20 BFED C=CCN(C)C(=O)N[C@@H](C)CCC(C)C 161136628 BQSNNKQMADOMGJ-NSHDSACASA-N 212.337 2.639 30 20 BFED C=CCNC(=O)N[C@@H](C)[C@H](C)c1ccccc1 176373366 LLDPPJBRSXWJPE-RYUDHWBXSA-N 232.327 2.664 30 20 BFED COc1cccc(C(=O)O[C@H]2CC[C@H](C#N)C2)c1 178788713 AEKWBPPDFKRQLO-GWCFXTLKSA-N 245.278 2.544 30 20 BFED C#CCCCNc1cc(Cl)nc(C2CC2)n1 179317673 GOWLOEYAPTTYLA-UHFFFAOYSA-N 235.718 2.833 30 20 BFED CC#CCNc1ccc(OC(F)F)c(F)c1 182303036 VWDKAUQHEXBGEM-UHFFFAOYSA-N 229.201 2.862 30 20 BFED CC#CCCCC(=O)Nc1cc(F)ccc1O 184837054 LMNJVSIGTBCEAK-UHFFFAOYSA-N 235.258 2.663 30 20 BFED N#C[C@@H]1CCC[C@H](NCCc2ccccc2O)C1 185807036 LLWWSQBAEDJOCX-OCCSQVGLSA-N 244.338 2.607 30 20 BFED CCCC[C@H](COC)N[C@H]1CCC[C@H](C#N)C1 185838988 MLOYQMJWADJPNM-MELADBBJSA-N 238.375 2.864 30 20 BFED CC#CCCCC(=O)Nc1cc([C@H]2C[C@H]2C)n[nH]1 186415012 CIIOTLOTKQGFQK-MNOVXSKESA-N 245.326 2.665 30 20 BFED Cc1cc(NC(=O)CC#N)c2cccnc2c1C 187415017 LLCVBFAWTBBIFB-UHFFFAOYSA-N 239.278 2.704 30 20 BFED C=CCN(CCOC)[C@@H](C)c1ccc(C#N)cc1 195000454 FKDXPVXUPGIQKS-ZDUSSCGKSA-N 244.338 2.754 30 20 BFED Cc1ccc(Cl)cc1C(=O)NC[C@@H](C)C#N 228453504 XQDCHJDUJKYRCQ-QMMMGPOBSA-N 236.702 2.538 30 20 BFED C[C@@H]1CC[C@H](CNCc2ccc(C#N)o2)C1 230412090 KTMKVWNMHKCGJV-MNOVXSKESA-N 218.300 2.677 30 20 BFED CCCCCCCn1c(C(=O)O)cccc1=O 232962395 LEWOBMXYDDPGDZ-UHFFFAOYSA-N 237.299 2.517 30 20 BFED COC1CCN(CCCCC(C)(C)C#N)CC1 234686344 JUJFLODNAOULPQ-UHFFFAOYSA-N 238.375 2.817 30 20 BFED C=C(C)CNC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 249276727 MQXDTOUISAWOBW-PEBLQZBPSA-N 248.370 2.686 30 20 BFED CCCCCCCN1C[C@@H](C)NC[C@H]1C 250796714 BAQYWKHQXUBYTI-CHWSQXEVSA-N 212.381 2.639 30 20 BFED CC[C@H](C#N)NC(=O)/C=C\c1ccc(Cl)cc1 255306502 LPPXMTOOLHZTAD-VVEJJEBESA-N 248.713 2.772 30 20 BFED COc1ccc(O)c(/C=N\[C@H]2CC=CCC2)c1 255584235 IOTXDWFDWUHEMH-GQVHDAKQSA-N 231.295 2.928 30 20 BFED C=C(Cl)CNC(=O)C[C@H](C)CCC 265598834 ZEOSMKNSTWIOOM-MRVPVSSYSA-N 203.713 2.681 30 20 BFED C=CCCC(=O)N[C@H]1C[C@H]1Cc1ccccc1 266070943 FMAACGNDOLRZQN-KGLIPLIRSA-N 229.323 2.700 30 20 BFED C[C@H](NCCCC#N)c1ccc(F)cc1N(C)C 273192833 HDBVRBSILATCDG-NSHDSACASA-N 249.333 2.846 30 20 BFED C=CCCCS[C@@H](Cc1ccccc1)C(N)=O 273385074 GUYCUVSMQLCQMS-ZDUSSCGKSA-N 249.379 2.782 30 20 BFED C=C[C@@](C)(CCOC)C(=O)Nc1cncc(C)c1 275424917 ARFFZSVHOVEYRO-AWEZNQCLSA-N 248.326 2.557 30 20 BFED C[C@@H](CC#N)Nc1ccc(C(F)(F)F)cn1 276614613 MDOPYZOEGWXJPK-ZETCQYMHSA-N 229.205 2.814 30 20 BFED CCCN(C)C(=O)Nc1ccc(C#N)c(F)c1 290275204 WQFOOKGJYVBYEP-UHFFFAOYSA-N 235.262 2.571 30 20 BFED CC[C@H]1CC[C@H](C)N1Cc1cc(C#N)n(C)c1 290335458 FAMDCTRCKSZYMR-AAEUAGOBSA-N 231.343 2.660 30 20 BFED C#CCCCNc1cc(F)c(F)cc1OC 290713915 XUPHDIDQZJYAHQ-UHFFFAOYSA-N 225.238 2.799 30 20 BFED C=CCOc1cccc(NC(=O)CCCC#N)c1 292469468 YPCADTZGAZGAIL-UHFFFAOYSA-N 244.294 2.884 30 20 BFED C=CC[C@H](C)NC(=O)c1c[nH]c(C(F)(F)F)c1 293631365 GLLIRFQNEPZNBQ-ZETCQYMHSA-N 246.232 2.728 30 20 BFED C=CCCC(=O)N1Cc2ccccc2O[C@H](C)C1 294357337 USYJQJCXIVCWMN-GFCCVEGCSA-N 245.322 2.762 30 20 BFED C=CC(C)(C)C(=O)Nc1cccc(Cl)n1 297852976 VIELJQCDCZNEJD-UHFFFAOYSA-N 224.691 2.886 30 20 BFED N#Cc1cccc(NC2CCN(C3CC3)CC2)c1 297877077 QDAGHGAHWBMSRQ-UHFFFAOYSA-N 241.338 2.597 30 20 BFED Cc1cc(OC(=O)CSC2CC2)ccc1C#N 298075185 SLDXIKSEFVGKNX-UHFFFAOYSA-N 247.319 2.668 30 20 BFED N#Cc1ccc(N[C@@H]2CCC[C@H]2CCO)cc1 302493480 ZUBOIKCOLLPRNE-GXTWGEPZSA-N 230.311 2.521 30 20 BFED Cn1ccc2ccc(Nc3ccc(C#N)nn3)cc21 302647169 JIUNNZRAFBDFEG-UHFFFAOYSA-N 249.277 2.584 30 20 BFED CCOC1CC(CCNc2ccc(C#N)cn2)C1 302679427 OGWZWYFCLWKSFJ-UHFFFAOYSA-N 245.326 2.570 30 20 BFED N#CCCSc1ncnc2ccsc12 307289740 HJIZFEDAWLWWJA-UHFFFAOYSA-N 221.310 2.697 30 20 BFED CCON=Cc1cc(Br)ccc1O 308293959 GXDUVPSBFBDGLI-UHFFFAOYSA-N 244.088 2.525 30 20 BFED C[C@@H](NCC1(CC#N)CC1)c1ccoc1 309012797 SLUMGMHICBYJDV-SNVBAGLBSA-N 204.273 2.624 30 20 BFED C=CCC[C@@H](CO)NCc1cccc(OCC)c1 321449388 NSOQXCJHXAFMLJ-AWEZNQCLSA-N 249.354 2.502 30 20 BFED C=CCSCCN[C@H](CC)[C@H]1C[C@H]1C 321993255 FLLBFFXMARLTJR-GRYCIOLGSA-N 213.390 2.930 30 20 BFED Cc1ncccc1N=C(O)[C@@H]1CCCOCC1 330150455 VSAQYQNGYXDTST-LLVKDONJSA-N 234.299 2.795 30 20 BFED C[C@H]1CCCCN(c2ccnc(C#N)c2)C1 334482843 YCCHAXJSGWYKKB-NSHDSACASA-N 215.300 2.580 30 20 BFED C[C@H]1COCCN1CCC1(C#N)CCCCC1 334558347 QSYRKWSCZDLCPL-ZDUSSCGKSA-N 236.359 2.571 30 20 BFED CC(=O)Nc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1 334755053 QUJHVHNCKXSXRP-SMDDNHRTSA-N 243.310 2.749 30 20 BFED C=C[C@@H]1CCCCN1C(=O)NC(C)(C)C 335245893 YQIFUNSNAQRERG-SNVBAGLBSA-N 210.321 2.535 30 20 BFED CC1(C)CC[C@H](C(=O)N2CCC(C#N)CC2)C1 335316867 SKIWZUDWARONCN-LBPRGKRZSA-N 234.343 2.575 30 20 BFED CSc1ccc(CN2CC(C)(C#N)C2)s1 335347374 ZNIYGCZQVOCCQV-UHFFFAOYSA-N 238.381 2.815 30 20 BFED C=C(C)C(C)(C)C(=O)N1CCC(CC#N)CC1 335600930 DIRIKRKFYFOEFT-UHFFFAOYSA-N 234.343 2.741 30 20 BFED C=C[C@@H]1CCCCN1Cc1c(C)noc1C 336090102 KRDIKVBBOFYQDH-GFCCVEGCSA-N 220.316 2.832 30 20 BFED N#CC1(CN[C@@H]2CCC23CCCC3)CCC1 336257506 KOSJBDDWDNQOKS-GFCCVEGCSA-N 218.344 2.993 30 20 BFED C=CCSCCNc1nccc(C(F)F)n1 336655643 AAHLMBUJIARJHH-UHFFFAOYSA-N 245.298 2.745 30 20 BFED C=CC[C@H](CC)NCc1cccnc1C 336757154 IYYDCGXGQSJLRY-ZDUSSCGKSA-N 204.317 2.834 30 20 BFED C=CCn1c(C(C)C)nnc1N(C)CCCC 337838298 DHGAFZSLVWWJDO-UHFFFAOYSA-N 236.363 2.824 30 20 BFED Cc1ccc(N2CC[C@@H](CC3CC3)C2)nc1C#N 338806299 XLDJYKYRIHNKAU-ZDUSSCGKSA-N 241.338 2.888 30 20 BFED N#C[C@@H]1CC[C@H](N2CC[C@H](CC3CC3)C2)C1 339673008 DCTBGNYXZDWWHO-MCIONIFRSA-N 218.344 2.801 30 20 BFED C=CC[C@@H](C)NC(=O)NC1CCC(F)(F)CC1 341921420 ZRUWUWNWBYGDCR-SECBINFHSA-N 246.301 2.828 30 20 BFED C=CCCN(C)C(=O)C1(CCC)CCC1 342022631 TUOMKMXEVWOJNM-UHFFFAOYSA-N 209.333 2.991 30 20 BFED C=CCC(C)(C)C(=O)N[C@H](CC)C[C@@H](C)CO 343040644 QETHCVGAQXPPQZ-VXGBXAGGSA-N 241.375 2.502 30 20 BFED C=C(C)COCCNC[C@@H]1C[C@H]1c1ccccc1 348259383 LPKNZXBPYBAFTQ-HOTGVXAUSA-N 245.366 2.972 30 20 BFED C[C@H](N[C@@H](C)c1ccon1)c1cccc(C#N)c1 349831939 IPTUCSFYKRTESB-QWRGUYRKSA-N 241.294 2.958 30 20 BFED C=CCCCCNC(=O)N[C@H](CC)CC=C 349932535 JTQQNRAOXOETOJ-GFCCVEGCSA-N 224.348 2.997 30 20 BFED C=C[C@H](C)NC(=O)N1CC[C@@H](C)C2(CCC2)C1 356219280 GPJGFDILKIZQBK-NEPJUHHUSA-N 236.359 2.783 30 20 BFED CN(CCOc1cccc(C#N)c1)C(C)(C)C 382180087 WNLZWBRGALATTC-UHFFFAOYSA-N 232.327 2.667 30 20 BFED C#C[C@@H](NCc1cc(F)c(F)c(F)c1)C(C)C 382679916 MGUBMZUFQVJTGK-GFCCVEGCSA-N 241.256 2.851 30 20 BFED C#C[C@](C)(CC)NC(=O)c1cc(C)c(C)s1 384207493 NTFHKTWIZURFPD-CYBMUJFWSA-N 235.352 2.897 30 20 BFED COc1ccc(CNC[C@H](C)C#N)c(Cl)c1 390542074 LSGXPAXMLYSKSO-SECBINFHSA-N 238.718 2.598 30 20 BFED C[C@H](NCC1(C#N)CC1)c1ccccc1F 393766011 BWZSRETUTXRVAU-JTQLQIEISA-N 218.275 2.780 30 20 BFED C[C@@H](CCC#N)N1CCC(OC(C)(C)C)CC1 411315744 JNJASKURTJDXIC-LBPRGKRZSA-N 238.375 2.958 30 20 BFED C=CC[C@H](C)[C@H](C)NC[C@@H](C)CCOC 414191005 GNQWHSPRKUCHGO-AVGNSLFASA-N 213.365 2.849 30 20 BFED N#C[C@@H]1CCC[C@H](N[C@@H]2C[C@H]2c2ccco2)C1 414351098 RDOHSEDYAREXBM-YVECIDJPSA-N 230.311 2.807 30 20 BFED CC[C@H](NC(=O)CCCC#N)[C@@H]1CC1(C)C 416077014 ISCYDMUSEYDGIJ-QWRGUYRKSA-N 222.332 2.621 30 20 BFED CO[C@@H](CSCCC#N)CC(C)C 416910602 HKRVPBJYNOTYLQ-SNVBAGLBSA-N 201.335 2.694 30 20 BFED C=CCC1(CN[C@H]2CCC[C@@H]2CN)CCCC1 423154899 KHIPFIYYEOYZBK-KGLIPLIRSA-N 236.403 2.840 30 20 BFED C=C(C)C(C)(C)C(=O)N(C)Cc1cccnc1 424539629 HYVFWCBKCTUJMI-UHFFFAOYSA-N 232.327 2.642 30 20 BFED C=C(C)COc1ccc(OCCOC)cc1 441844324 XJZNPLXXUBDBCC-UHFFFAOYSA-N 222.284 2.667 30 20 BFED C=CC[C@@H](C)NC(=O)C1(CC(C)C)CC1 442709206 BCCKBNXEFFZJNI-LLVKDONJSA-N 209.333 2.894 30 20 BFED N#C[C@@H]1CC[C@H](N[C@@H]2CCOC3(CCCC3)C2)C1 442846319 WBTMVGPEVPZFNT-HZSPNIEDSA-N 248.370 2.760 30 20 BFED N#CCCCN=c1[nH]c2cccc(F)c2s1 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30 20 BFED CC#CCCCC(=O)N[C@@H](C)c1cncc(F)c1 341380400 SHYCWLTUWOVAFM-NSHDSACASA-N 248.301 2.592 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1cccc2c1OCO2 344014131 LARFTISDMIZDBC-CQSZACIVSA-N 247.294 2.956 30 20 BFED C=CCCO[C@H](C)C(=O)N[C@H]1CCC[C@H](C)C1 345384180 VEEWAYFHXYEGRG-XQQFMLRXSA-N 239.359 2.663 30 20 BFED C=C[C@@](C)(CC)c1nc([C@H]2CCCOC2)no1 347137180 LGGNJARXKMEBAM-GWCFXTLKSA-N 236.315 2.817 30 20 BFED C=CCSc1nc2c(C)ccnc2[nH]1 347423801 IFJJCNBKISXPEQ-UHFFFAOYSA-N 205.286 2.544 30 20 BFED C=CCC[C@H](C)NCc1cccc(C(=O)OC)c1 348920160 IQMUMCBYWJEMBE-LBPRGKRZSA-N 247.338 2.918 30 20 BFED N#CC1(F)CCN(Cc2cccs2)CC1 352484597 RHAGZVLWLJDDSL-UHFFFAOYSA-N 224.304 2.576 30 20 BFED C=CCN(C(=O)[C@H]1CCSC1)c1ccccc1 355427626 YPOFUTXVOVNBFV-LBPRGKRZSA-N 247.363 2.959 30 20 BFED CC#CCOc1ccc2cc(C(=O)OC)oc2c1 358604352 FRRIGRGOCPWZRF-UHFFFAOYSA-N 244.246 2.622 30 20 BFED Cn1ccc2ccc(NC(=O)CCCC#N)cc21 360033484 QOYWUQAKYVICDV-UHFFFAOYSA-N 241.294 2.811 30 20 BFED 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C=CCNN=C1CCSc2ccc(F)cc21 795003643 OZMLTEVRDPEVEL-UHFFFAOYSA-N 236.315 2.801 30 20 BFED C[C@H](OC(=O)c1ccc[nH]1)c1ccc(C#N)cc1 797857317 IIUMIABJMQFITD-JTQLQIEISA-N 240.262 2.804 30 20 BFED C[C@H](C#N)OC(=O)c1ccc(C(F)(F)F)cc1 798114291 CLJQKZMQXKMVDB-SSDOTTSWSA-N 243.184 2.774 30 20 BFED Cc1ccc(C(=O)/C=C\c2cn(C)cn2)s1 800793808 WDHFJXSURLPRQR-PLNGDYQASA-N 232.308 2.686 30 20 BFED C=CCN(CCOC)CCSC(C)(C)C 801949216 KVGJSATURQRDLA-UHFFFAOYSA-N 231.405 2.653 30 20 BFED C#CCCCOC(=O)c1cc[nH]c1C(C)C 803777236 CBYZWCLADDUUTB-UHFFFAOYSA-N 219.284 2.708 30 20 BFED CC[C@H](C)NN=Cc1ccc(C(C)(C)O)cc1 807984885 WSLSDGAWQANGSX-NSHDSACASA-N 234.343 2.636 30 20 BFED C=C(C)CCOC(=O)c1conc1C1CC1 810599819 OTNYBZRQBXEHAF-UHFFFAOYSA-N 221.256 2.675 30 20 BFED COCC(CC(C)C)=NOC/C=C/Cl 811670381 QZPYSJCHPBLOCS-ZXXRXTDPSA-N 219.712 2.804 30 20 BFED CC(C)OCCON=C[C@@H]1CCCSC1 812237922 OTDJTLFIPJSVLK-NSHDSACASA-N 231.361 2.557 30 20 BFED CCCCCCCC(=O)N[C@H](C)[C@@H](C)OC 812349301 LLZTXFXJXIJHLW-VXGBXAGGSA-N 229.364 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243.354 2.749 30 20 BFED N#Cc1ccc2c(c1)CCN2C(=O)CCC1CC1 335647670 QABACWZOBDXOOB-UHFFFAOYSA-N 240.306 2.638 30 20 BFED N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)cc1F 335677245 IYZIODODFKPRTA-VXGBXAGGSA-N 244.269 2.682 30 20 BFED C=C1CCN(C(=O)C2(CCC)CC2)CC1 335903166 AZFQTFKLKPVWFD-UHFFFAOYSA-N 207.317 2.745 30 20 BFED CC1(CC(=O)N2CCc3ccc(C#N)cc32)CC1 336052445 PCMKYKLBBWUNRV-UHFFFAOYSA-N 240.306 2.638 30 20 BFED C=C(C)CN(C)C(=O)c1oc(C)cc1C 336121593 OFLUBFQIIAEXIB-UHFFFAOYSA-N 207.273 2.545 30 20 BFED CC1CC(NC2CCC(C)(C#N)CC2)C1 336208619 WKDKEGRMDFJZJN-UHFFFAOYSA-N 206.333 2.847 30 20 BFED C[C@H]1C[C@]1(C#N)C(=O)Nc1cccc2[nH]ccc12 336239938 LNKHFEKIWSRPKN-LKFCYVNXSA-N 239.278 2.656 30 20 BFED Cc1csc(C(=O)N(CC#N)C2CCCC2)c1 336453628 LRKLWSUMYUBKNO-UHFFFAOYSA-N 248.351 2.965 30 20 BFED Cc1cc(NC(=O)[C@H](C)C#N)c2ncccc2c1 336471475 VAVDHEDZCQHYML-SNVBAGLBSA-N 239.278 2.641 30 20 BFED C=CCC[C@@H](C)NCCC(O)(CC)CC 336761615 MUXCVGBYAOXFJO-GFCCVEGCSA-N 213.365 2.872 30 20 BFED C=CC[C@@H](CC)NC(=O)c1ccoc1C 337089424 INXKLCWORHOWHD-SNVBAGLBSA-N 207.273 2.673 30 20 BFED C=C(C)Cn1c(CCCC)nnc1N1CCCC1 338864984 NIFKSTOZVGSBCJ-UHFFFAOYSA-N 248.374 2.797 30 20 BFED C[C@H](NCc1cccc(C#N)c1)[C@]1(C)CCCO1 340473107 IAHXMOHHXLSKCD-WFASDCNBSA-N 244.338 2.605 30 20 BFED CC(C)(CCC#N)CNc1ncccc1[N+](=O)[O-] 340898494 MQXMIZVCEQPAGU-UHFFFAOYSA-N 248.286 2.732 30 20 BFED C=C[C@](C)(CC)C(=O)N(C)CC[C@@H]1CCCO1 342502391 BJMJYQBZJYLVAL-GXTWGEPZSA-N 239.359 2.616 30 20 BFED C=C[C@H](C)NC(=O)NC[C@H](SC)C(C)(C)C 343878330 XCUAXDATNMCMJR-UWVGGRQHSA-N 244.404 2.638 30 20 BFED Cc1cc(NC(=O)[C@@H](C)C#N)ccc1OC(C)C 346426060 FSWRRTUWQBLKAT-NSHDSACASA-N 246.310 2.880 30 20 BFED C=CCCCC(=O)NCC1(C(F)F)CC1 348750549 YPQVKFNBCFNDMK-UHFFFAOYSA-N 217.259 2.504 30 20 BFED Cc1cc(CN(C)C[C@H](C)C#N)ccc1F 352091471 KEGULLPVYUUBRB-SNVBAGLBSA-N 220.291 2.726 30 20 BFED C=C[C@@H](CO)NCc1cc2cc(C)c(C)cc2o1 352481132 NHIXSQQBLKWMQG-ZDUSSCGKSA-N 245.322 2.686 30 20 BFED N#CCCCCNC(=O)N(CC1CC1)C1CCC1 353727433 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20 BFED CCCN(CC(F)F)C(=O)C(C#N)(CC)CC 387210578 DQZTVTARHDXYHE-UHFFFAOYSA-N 246.301 2.820 30 20 BFED C#C[C@](C)(CC)NC(=O)CCCc1cccs1 395253080 GAGDPXQVXFIULF-CQSZACIVSA-N 249.379 2.989 30 20 BFED CCC[C@H](C#N)N(C)C(=O)c1cscc1C 410830957 XJFFPECXYYPVBX-SNVBAGLBSA-N 236.340 2.821 30 20 BFED C[C@H]1CCC[C@H]1Nc1ncc(C#N)cc1F 413130437 YVQXMUNSPFGGSK-GZMMTYOYSA-N 219.263 2.693 30 20 BFED C=C(C)CCNC(=O)N[C@@H]1CCCC[C@H]1F 413588885 ISPBPCYWFUXMKB-GHMZBOCLSA-N 228.311 2.533 30 20 BFED C=C(C)CS[C@@H]1C[C@H]2CCCC[C@H]2NC1=O 419420877 NVPVQWIBXQIDBE-IJLUTSLNSA-N 239.384 2.743 30 20 BFED C=CCC[C@@H](CCC)N[C@H]1CCn2ccnc2C1 427892031 MKHBAYXEDVAEJV-KGLIPLIRSA-N 247.386 2.922 30 20 BFED C=CCn1cccc1C(=O)N1CCCC[C@H]1C=C 428038535 YOJFOSIXGUAXRU-CYBMUJFWSA-N 244.338 2.855 30 20 BFED C=CCC(C)(C)C(=O)N(CC)C[C@@H](C)C#N 431837068 JFYNEIPXGPNDLB-NSHDSACASA-N 222.332 2.597 30 20 BFED C=C(CC)CN1CCC([C@@H]2CCCO2)CC1 439303142 WKJUTFQGCFYSCV-AWEZNQCLSA-N 223.360 2.844 30 20 BFED CCO[C@H](CCN[C@H]1CC[C@H](C#N)C1)C(C)C 442789944 ICWZIHZSKGLBKF-MELADBBJSA-N 238.375 2.719 30 20 BFED CC1(C#N)CCC(NCCc2nccs2)CC1 449106540 ILOHSSHHYUELKW-UHFFFAOYSA-N 249.383 2.748 30 20 BFED C=CC(C)(C)CN[C@H]1CCC[C@@H]1COCC 449484291 GAJGIKBTVNAERK-OLZOCXBDSA-N 225.376 2.993 30 20 BFED C=CC(C)(C)CNC1CC(OC(C)C)C1 449484483 HMIXCLCGEFGVPY-UHFFFAOYSA-N 211.349 2.744 30 20 BFED Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)CCC1CC1 450696166 UHEGQGLDJDGMQI-VIFPVBQESA-N 245.326 2.503 30 20 BFED C=CCCC1(C(=O)N[C@H](CC)C(F)F)CC1 452265686 QBJPNRUEFXQKFE-SECBINFHSA-N 231.286 2.893 30 20 BFED C=C(C)CCNC(=O)N[C@@H]1CCc2ccccc21 454228050 VAPBESCHMHTQKY-CQSZACIVSA-N 244.338 2.939 30 20 BFED CC#CCCNC(=O)N[C@@H]1C[C@@]1(CC)C(C)C 458647138 FQZXGEZHTIRGPV-OCCSQVGLSA-N 236.359 2.524 30 20 BFED C=CCn1cccc1C(=O)N1CC[C@H](C)[C@H]1CC 488930505 MAGHRKZXBUXCIX-QWHCGFSZSA-N 246.354 2.935 30 20 BFED C#C[C@H](C)N(C)C(=O)[C@@H](CC)CCCC 491038196 HXVNVHZVFWIUOY-RYUDHWBXSA-N 209.333 2.683 30 20 BFED C#CC(C)(C)N(C)Cc1ccc(F)cc1C#N 491632885 ROIXXTXXTKRCNO-UHFFFAOYSA-N 230.286 2.541 30 20 BFED C#C[C@H](C)N(C)C(=O)c1cc2cc(C)ccc2[nH]1 491765819 FSCJXGGUQFLKEK-NSHDSACASA-N 240.306 2.570 30 20 BFED CC[C@H](C)CCC(=O)N(CC)CCC#N 507449744 IRYXZEPUWVEUNY-NSHDSACASA-N 210.321 2.575 30 20 BFED COc1cccc2c1CCC[C@@H]2NCCCC#N 516920518 NXGIRUYXEZXVHU-AWEZNQCLSA-N 244.338 2.966 30 20 BFED C=CCN(C)C(=O)Nc1scc(C)c1C#N 565160429 CWZBVDBABRQRRN-UHFFFAOYSA-N 235.312 2.578 30 20 BFED CC[C@H](CC#N)NC[C@@H]1CCC2(CCCC2)O1 565900337 JQNIJBRXQRAUPK-OLZOCXBDSA-N 236.359 2.760 30 20 BFED C=CC[C@@H](C)NC(=O)[C@@H]1CCc2ccccc2C1 568519866 MZKAHZJVUVQCJT-IUODEOHRSA-N 243.350 2.872 30 20 BFED N#CCCNc1cccc(OC(F)F)c1 570921012 IDRMUPRCIOMSPH-UHFFFAOYSA-N 212.199 2.614 30 20 BFED N#CCCN(C(=O)CC1CC1)c1ccc(F)cc1 576251488 ATYWWDMKXFEEJF-UHFFFAOYSA-N 246.285 2.872 30 20 BFED C=CC(C)(C)CNC(=O)N[C@H]1CCC[C@H](F)C1 579466558 HBYUOAFSYMPTIE-QWRGUYRKSA-N 242.338 2.779 30 20 BFED CN(C(=O)[C@H]1CC[C@H](C)CC1)C1(C#N)CCC1 581946847 FJBDRHUTWCRZNN-HAQNSBGRSA-N 234.343 2.717 30 20 BFED CC(C)C1CCC(Nc2cncc(C#N)n2)CC1 591460893 JWXVYNWCQZUTHJ-UHFFFAOYSA-N 244.342 2.975 30 20 BFED Cc1cc(CN(C2CC2)[C@H](C)C#N)ccc1C#N 595709107 DCXRCFZOWZMFLL-GFCCVEGCSA-N 239.322 2.743 30 20 BFED Cc1ccc(C#N)nc1N1C[C@H](C)[C@@H](C)[C@@H]1C 596275985 YRSQTBKXEYFVNL-TUAOUCFPSA-N 229.327 2.742 30 20 BFED C=CCCSCc1cc(C)nc(C)n1 596342775 OTXJVKPMBQPJKT-UHFFFAOYSA-N 208.330 2.903 30 20 BFED N#Cc1cc([N+](=O)[O-])ccc1NCC1=CCCC1 596517374 GPJYLSJXZAZORM-UHFFFAOYSA-N 243.266 2.989 30 20 BFED CCC[C@H](C)CC(=O)N(C1CC1)[C@H](C)C#N 598129004 FAHIHLLVCIOUIM-WDEREUQCSA-N 222.332 2.716 30 20 BFED CC(C)(C#N)C(=O)N1CC[C@H](C2CCCCC2)C1 598151038 OGTUIPRAXTUZGE-ZDUSSCGKSA-N 248.370 2.965 30 20 BFED CC[C@H]1CC[C@H](C)N(C(=O)[C@@H](C#N)CC)C1 598299632 QFKBBJFJKZAILF-SDDRHHMPSA-N 222.332 2.573 30 20 BFED CCN(C(=O)c1cc(C)c(C)s1)[C@@H](C)C#N 598350795 SOQAVAMIQFXJCP-VIFPVBQESA-N 236.340 2.739 30 20 BFED CCN(C(=O)Cc1cc(C)ccc1C)[C@@H](C)C#N 598359370 KPYQCVBNVTXJQM-ZDUSSCGKSA-N 244.338 2.607 30 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249.358 2.683 30 20 BFED C=CCCN(C)Cc1ccnc(Cl)c1F 824250726 UUVZFOXRCNANIM-UHFFFAOYSA-N 228.698 2.882 30 20 BFED C=C[C@@H](CC)CC(=O)N1CCS[C@H](C)C1 828626483 QPKZVUYXPMSWIO-MNOVXSKESA-N 227.373 2.553 30 20 BFED CC[C@]1(C)CCCN(C(=O)C#CC(C)C)C1 829154770 UMQOURNJWWOZFX-CQSZACIVSA-N 221.344 2.685 30 20 BFED Nc1ccc2c(c1)CCCC2=NNC1CCCC1 834954057 SFXVQEGQQJHABU-UHFFFAOYSA-N 243.354 2.841 30 20 BFED C=CCCO[C@H](C)C(=O)OCC(C)(C)C=C 835726208 OAUHIWKHNFZYRQ-LLVKDONJSA-N 226.316 2.723 30 20 BFED C=CC(C)(C)CNC(=O)C=C1CCSCC1 836827970 GNZFYBHVWPZVLB-UHFFFAOYSA-N 239.384 2.768 30 20 BFED C=CCONC(=O)[C@H](C)CCCc1ccccc1 837048332 RNFZUZAWEXBDLO-CYBMUJFWSA-N 247.338 2.879 30 20 BFED COc1cc(F)ccc1NC(=O)C#CC(C)(C)C 837332708 PUXTYSPEEDESBS-UHFFFAOYSA-N 249.285 2.822 30 20 BFED CC(C)(C)C#CC(=O)OCc1ccccc1C#N 838371341 LOMHRETWRUTHIR-UHFFFAOYSA-N 241.290 2.651 30 20 BFED Cc1ncc(COC(=O)C#CC(C)(C)C)s1 838372487 IVEGTCMYZJZNQO-UHFFFAOYSA-N 237.324 2.544 30 20 BFED CC1(CNN=C2COC(C)(C)C2)CCCC1 841642200 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SKCYAOFBDOHYGZ-UHFFFAOYSA-N 215.643 2.669 30 20 BFED N#Cc1ccc(-c2nnc(C3CCCC3)o2)o1 1257572462 UWFOWSSKFMZVEP-UHFFFAOYSA-N 229.239 2.859 30 20 BFED CC[C@H]1CCN(C(=O)c2csc(C#N)c2)[C@@H]1C 1269695423 VBHLVTCLFKSAEP-ZJUUUORDSA-N 248.351 2.880 30 20 BFED CCON=C1C[C@H](C)c2c(C)ccc(O)c21 1317745194 VMTGQCBWHDOBGI-VIFPVBQESA-N 219.284 2.948 30 20 BFED C#CCOc1ccccc1NCC[C@@H]1CCOC1 1328083727 CQZGCRDAASBJKL-CYBMUJFWSA-N 245.322 2.537 30 20 BFED CC[C@@H](C#N)C(=O)N(CC)Cc1ccccc1F 1328656080 LLPNJWQQRPPCIY-NSHDSACASA-N 248.301 2.724 30 20 BFED C=C(C)CCC(=O)NCCNc1ccccc1 1338853338 VSPRNHCYNFIPQI-UHFFFAOYSA-N 232.327 2.571 30 20 BFED C=C(C)CCC(=O)N1CC(C)(C)C[C@H]1C 1340642516 AGXSSBDCVFJDDC-LLVKDONJSA-N 209.333 2.990 30 20 BFED CCn1ccnc1[C@H](C#N)C(=O)[C@@H]1CC[C@H](C)C1 1345647254 UETCWFLLQACVIS-QJPTWQEYSA-N 245.326 2.515 30 20 BFED C=C[C@H]1CCCCN1C(=O)/C=C/c1nccs1 1349597984 DGYPVIIMLFNQIV-MLRMMBSGSA-N 248.351 2.723 30 20 BFED C=C(CC)C(=O)N[C@@H](C)COc1ccccc1 1527474705 PFWGZIHFTOTHEM-LBPRGKRZSA-N 233.311 2.536 30 20 BFED CC(C)[C@H](C)NCc1cccc(OCC#N)c1 37249538 WAMGJTUDSBEQGA-LBPRGKRZSA-N 232.327 2.723 30 20 BFED CCC1CCN(C(=O)C2(C#N)CCCC2)CC1 44365410 OZWJUSFBJJNCPU-UHFFFAOYSA-N 234.343 2.719 30 20 BFED CCCN(CC#N)C(=O)[C@@H](CC)c1ccccc1 44373171 MXSNBTZQLVFEED-AWEZNQCLSA-N 244.338 2.942 30 20 BFED CCCC(C)(C)NC(=O)c1ccc(C#N)cc1 50498528 YYOOJBBZLIATNS-UHFFFAOYSA-N 230.311 2.867 30 20 BFED Cn1ccnc1CNc1cc(Cl)ccc1C#N 51921834 WVCKNOIMWRBJLP-UHFFFAOYSA-N 246.701 2.557 30 20 BFED CCCCCCCCC(=O)N[C@H](CC)CO 59250597 FYOZXDBOXBSECI-GFCCVEGCSA-N 229.364 2.624 30 20 BFED CCOc1ccc(C#N)cc1NC(=O)C(C)(C)C 60034105 GSVASKSNXYNOKZ-UHFFFAOYSA-N 246.310 2.942 30 20 BFED C[C@@H](Nc1ccnc(C#N)c1)c1cccnc1 61811666 HEPZUPGIYPMUFC-SNVBAGLBSA-N 224.267 2.521 30 20 BFED C#CCOC(=O)C(C)(C)c1ccc(Cl)cc1 62472493 MFOBUJBVDGLGQE-UHFFFAOYSA-N 236.698 2.794 30 20 BFED C=CCN(CCc1ccccc1)C(=O)NC1CC1 65984787 ACBAWUOUFLRZSY-UHFFFAOYSA-N 244.338 2.589 30 20 BFED CC1(C)CCCN(C(=O)c2ccc(C#N)cc2)C1 70260718 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224.254 2.864 30 20 BFED C=C(Br)COC(=O)CCCC#CC 379380740 CGZLQZBZJCLYBV-UHFFFAOYSA-N 245.116 2.632 30 20 BFED C=CCN=c1ccc(C(F)(F)F)c(Cl)[nH]1 380168705 GBWJJYFSYVCMRA-UHFFFAOYSA-N 236.624 2.774 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@@H]1CC[C@H](C#N)C1 380278658 YIWOGPNNWNOYHI-ZDEQEGDKSA-N 206.333 2.869 30 20 BFED C=C(C)CCNC1CCN(c2ccccn2)CC1 386743469 DWSACHOCJIKRKB-UHFFFAOYSA-N 245.370 2.606 30 20 BFED CC[C@@H](C)C[C@@H](C)Nc1cc(C#N)ncn1 390492655 PZVXCGICFOOPDH-NXEZZACHSA-N 218.304 2.585 30 20 BFED Cc1ccc(CNc2nccc(C)c2C#N)nc1 400937884 OJMBRRYSKBNWHC-UHFFFAOYSA-N 238.294 2.577 30 20 BFED COC(=O)[C@@H](C)CSCC1(C#N)CCCC1 405138525 KTCQDHHIELENAW-JTQLQIEISA-N 241.356 2.613 30 20 BFED C=C(C)CCNc1cc(C#N)sc1[N+](=O)[O-] 407243363 YWPDYWIOVCTSSD-UHFFFAOYSA-N 237.284 2.906 30 20 BFED CC1(C)CCCC[C@@H]1NC(=O)NCCCC#N 408182055 IBLQGJVJGLXKPE-NSHDSACASA-N 237.347 2.558 30 20 BFED C=CCC(C)(C)C(=O)N1CC[C@H](OC)C[C@H]1C 410820266 AFTLCTNIDCNHOY-NEPJUHHUSA-N 239.359 2.615 30 20 BFED 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2.903 30 20 BFED CCC(=NNC1CCCC1)c1ccc(F)cn1 814832581 IRNUWPDWONRDLR-UHFFFAOYSA-N 235.306 2.867 30 20 BFED c1ncc(NN=C2CCCC23CCCC3)cn1 814927176 ZSUKNZHOBTVVCN-UHFFFAOYSA-N 230.315 2.989 30 20 BFED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(F)ccc1O 818357266 XVFUFFXQBOTRBC-JBLDHEPKSA-N 248.301 2.874 30 20 BFED C=C[C@H](CC)CC(=O)NCC(C)(C)CC#N 822399714 WSFKQLQXAXVXBU-LLVKDONJSA-N 222.332 2.645 30 20 BFED CC[C@H](C)CC=NNc1ccc([N+](=O)[O-])cn1 834940862 RSXLRAZSNVKZSH-VIFPVBQESA-N 236.275 2.824 30 20 BFED CCC(=NOCCCOC)c1ccsc1 834978801 CCENLMQTESSXBY-UHFFFAOYSA-N 227.329 2.915 30 20 BFED C=CC(C)(C)C(=O)O[C@@H](C)C[C@H]1CCOC1 835364737 CNLLFSMEAJXWCN-WDEREUQCSA-N 226.316 2.557 30 20 BFED C=CC(C)(C)COC(=O)[C@@H]1CCC(=O)[C@H](C)C1 835722965 KYNUXUGAMLBZLF-GHMZBOCLSA-N 238.327 2.747 30 20 BFED C=CC(C)(C)COC(=O)COCc1ccccc1 835724526 LZFQDLBPIXZPKS-UHFFFAOYSA-N 248.322 2.959 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)OCC1=CCCCC1 835817833 XESXGUBIZPIJIK-OLZOCXBDSA-N 236.311 2.621 30 20 BFED 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2.905 30 20 BFED CN(Cc1cc(C#N)cs1)C1CCC1 93475936 KGTJTEVPJLRKGR-UHFFFAOYSA-N 206.314 2.604 30 20 BFED N#CCN(Cc1ccc(O)cc1)C1CCCC1 94680089 YPHVKTRULJXXLJ-UHFFFAOYSA-N 230.311 2.660 30 20 BFED C#CCN(CC)C(=O)c1coc2ccccc12 96537018 BSPHOARHJQGTAO-UHFFFAOYSA-N 227.263 2.528 30 20 BFED C=CC1CCN(C(=O)c2cc(C)oc2C)CC1 110366234 OBBWJHJCOONJMN-UHFFFAOYSA-N 233.311 2.935 30 20 BFED Cc1ccc(/C=C/C(=O)c2cnccn2)cc1 115962847 CWAJGMQKZGBTKY-VOTSOKGWSA-N 224.263 2.681 30 20 BFED CC[C@@H](C#N)NC(=O)C[C@H](C)c1cccc(F)c1 116185876 NSVLFUTUNDPMFH-GWCFXTLKSA-N 248.301 2.738 30 20 BFED Cc1cncc(NCc2cccc(C#N)c2)c1 119569175 YPSHCDIVMLKARX-UHFFFAOYSA-N 223.279 2.874 30 20 BFED C=CCNC(=O)[C@@H](C)SCC1CCCCC1 119836009 TYMDPYRZGDSTSD-LLVKDONJSA-N 241.400 2.991 30 20 BFED C#CCCCCC(=O)N[C@@H](C)c1c(C)noc1C 119850613 NMAIFVUCPPUKFM-JTQLQIEISA-N 248.326 2.662 30 20 BFED C=CC[C@H](C)NC(=O)c1ccnn1C(CC)CC 121548577 LHAXZDFRYZSTRL-NSHDSACASA-N 249.358 2.939 30 20 BFED CC#CCN1CC[C@H](c2ccccc2OC)C1 121827599 KGDGXWMOPOQUAP-ZDUSSCGKSA-N 229.323 2.508 30 20 BFED Cc1ccc(C#N)cc1NC(=O)C1[C@H]2CCC[C@H]12 123406372 FKHOABPDSOBCIJ-RYUDHWBXSA-N 240.306 2.851 30 20 BFED N#CCCSC1Cc2ccccc2C1 127304493 OALAFKPYNZCSEU-UHFFFAOYSA-N 203.310 2.801 30 20 BFED COc1cc(C#N)ccc1NC(=O)CCC(C)C 130175103 JIOIXCZTAJWDQG-UHFFFAOYSA-N 246.310 2.942 30 20 BFED C=CCNC(=O)NCC1(CC(C)C)CCC1 130650020 PQUXMYWYEISMFF-UHFFFAOYSA-N 224.348 2.688 30 20 BFED CC#CCOc1cccc(C(F)(F)F)n1 131223565 DXUZCGSCZUFZSW-UHFFFAOYSA-N 215.174 2.503 30 20 BFED CCCC/C(N)=N/OCc1cccc(Cl)n1 131269824 FHHPUZRGVNQUDD-UHFFFAOYSA-N 241.722 2.714 30 20 BFED C=CCN(C(=O)c1cccs1)C1CC1 132194901 DCGLDMRWWHUJFL-UHFFFAOYSA-N 207.298 2.539 30 20 BFED Cc1cccc(F)c1NC(=O)N(C)CCC#N 133879950 TVNFMKZZXHYTKM-UHFFFAOYSA-N 235.262 2.512 30 20 BFED CC[C@](C)(C#N)C(=O)N[C@H](C)c1ccccc1 136162632 KIACCMRZNRRLBD-BXUZGUMPSA-N 230.311 2.804 30 20 BFED C=C[C@H](C)Nc1nc(C(C)(C)C)ns1 139189695 MRKQMWJJTSJMAZ-ZETCQYMHSA-N 211.334 2.822 30 20 BFED C=C(C)CNc1ncnc2oc(C)c(C)c12 153541890 SWDHUOMTYYIYPW-UHFFFAOYSA-N 217.272 2.828 30 20 BFED C=CCCOCCNC(=O)c1ccccc1CC 155091815 PADPBAMFDYVOLU-UHFFFAOYSA-N 247.338 2.572 30 20 BFED C=CCCO[C@H](C)C(=O)N(C)c1ccc(C)cc1 156940323 VAPUIGQZWWZZAD-CYBMUJFWSA-N 247.338 2.939 30 20 BFED CC#CCCOc1ccc(C(C)=O)cc1C 157754666 YAWQUHCZQULMDB-UHFFFAOYSA-N 216.280 2.990 30 20 BFED C[C@@H]1CCCCN1Cc1ccc(C#N)s1 158943861 XCCFDCDBISQCBT-SNVBAGLBSA-N 220.341 2.994 30 20 BFED CC#CCN1CCC[C@H]1c1ccsc1 159242980 HOIPGIZQUVGZPV-LBPRGKRZSA-N 205.326 2.908 30 20 BFED C=C(C)CNCc1cn2cc(Cl)ccc2n1 167556178 DSCFEIASXQGACR-UHFFFAOYSA-N 235.718 2.653 30 20 BFED C[C@@H]1CCCC[C@@H]1NC(=O)C#Cc1ccccc1 174886569 AWKZOAYZICDVCM-HIFRSBDPSA-N 241.334 2.733 30 20 BFED CCCC(=O)O[C@@H](C)c1ccc(C#N)cc1 175752121 QYOZLMIJFDNCPO-JTQLQIEISA-N 217.268 2.963 30 20 BFED C/C(=C\C(=O)N[C@@H](C#N)C1CCCCC1)C1CC1 176642103 YVXYCJZTUJPZDE-MARXPDLDSA-N 246.354 2.931 30 20 BFED Cn1c(-c2ccc(C#N)o2)nc2ccc(F)cc21 178975821 QHOSEJRFODDXDX-UHFFFAOYSA-N 241.225 2.844 30 20 BFED C=C(C)CN(C)C(=O)c1ccc(C)c(OC)c1 180443012 SBALCTQXLJFFCQ-UHFFFAOYSA-N 233.311 2.652 30 20 BFED C=C(C)CN(C)C(=O)N[C@@H](C)CCSCC 181300245 VKKOREGKPXGDII-NSHDSACASA-N 244.404 2.736 30 20 BFED C#CCC(C)(C)C(=O)N1CCc2c(F)cccc21 186064222 DFNBQXIWMPHDIS-UHFFFAOYSA-N 245.297 2.764 30 20 BFED CC#CCCCC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 186096208 XKHFSQBARRWEHT-UKRRQHHQSA-N 246.354 2.769 30 20 BFED C[C@@H]1CC[C@H](COc2cccc(F)c2C#N)O1 188533765 XYVLALZMQIZMLE-NXEZZACHSA-N 235.258 2.644 30 20 BFED Cc1ccc(C#N)cc1OCC[C@@H]1CCCO1 189067046 IHTNHALWISDCTG-ZDUSSCGKSA-N 231.295 2.815 30 20 BFED CC[C@H](C#N)Nc1cccc2ccn(C)c12 189587346 QKUVIGRIGIFALY-LLVKDONJSA-N 213.284 2.892 30 20 BFED C=CCc1cc(OC)ccc1OC(=O)C(F)F 193522306 IYXBJGTWGMKGIW-UHFFFAOYSA-N 242.221 2.594 30 20 BFED Cc1cnccc1CNCc1cccc(C#N)c1 228656807 JFFOXZIOWVBGFA-UHFFFAOYSA-N 237.306 2.552 30 20 BFED C#C[C@H](CC)NCc1c[nH]nc1-c1cccs1 229875144 CNUCQBXRYARILB-LLVKDONJSA-N 245.351 2.640 30 20 BFED CCN(CC1CCC1)C(=O)C(C#N)(CC)CC 230315991 ZZAOHGIQGBAVNC-UHFFFAOYSA-N 236.359 2.965 30 20 BFED C[C@@H]1CN(CCCC#N)[C@H]2CCCC[C@@H]12 248404890 AJMVKSGPVZSJCP-AGIUHOORSA-N 206.333 2.801 30 20 BFED N#CCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 250794579 AGZQYBOISNCJAA-FRRDWIJNSA-N 234.343 2.623 30 20 BFED CC[C@](C)(C#N)NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 252371728 CUXLJPIZTRYXMO-ZJQBRPOHSA-N 234.343 2.621 30 20 BFED Cc1ccc(NC(=O)c2cccc(C#N)n2)cc1 258874069 DHKVWEABROQHIT-UHFFFAOYSA-N 237.262 2.514 30 20 BFED CCC(CC)CN(CCC#N)Cc1ccno1 266641363 BBMAJGOWRZJINK-UHFFFAOYSA-N 235.331 2.826 30 20 BFED CCC1(C(=O)N(C)Cc2cccc(C#N)c2)CC1 267218490 VKLPOOPUUAWGQU-UHFFFAOYSA-N 242.322 2.707 30 20 BFED CC1(CNC(=O)c2ccc(C#N)[nH]2)CCCCC1 269823745 QHQZUEIJVXEDSR-UHFFFAOYSA-N 245.326 2.587 30 20 BFED CO[C@@H](C)[C@@H](C)NC1(c2cccc(C#N)c2)CC1 272328028 XJLRAOYOTSCNFJ-NEPJUHHUSA-N 244.338 2.560 30 20 BFED Cc1cccc(NC(=O)NCCCC#N)c1F 273082098 AQDGAXVHIQRSSP-UHFFFAOYSA-N 235.262 2.559 30 20 BFED CSCCCNc1cc(C(C)=O)ccc1C#N 273163739 CHCXFTLHAZSIAR-UHFFFAOYSA-N 248.351 2.926 30 20 BFED C#CCC(C)(C)C(=O)Nc1cccc(F)c1F 274268466 GEKGIZOUYWDFBV-UHFFFAOYSA-N 237.249 2.953 30 20 BFED C[C@@H](CCc1ccc(O)cc1)NCCCC#N 274401099 XUKHIGMGEPQQSO-LBPRGKRZSA-N 232.327 2.607 30 20 BFED CC#CC(=O)NCC(C)(C)c1cccc(Cl)c1 277318045 BWORRRVWWJIOPK-UHFFFAOYSA-N 249.741 2.757 30 20 BFED CC1(CCNC(=O)c2cccc(CC#N)c2)CC1 280151260 WMGGKMZLWXNVAS-UHFFFAOYSA-N 242.322 2.673 30 20 BFED C=CC[C@H](CC)NC(=O)c1ccccc1COC 281200788 CCAWWNMXOZAGIA-ZDUSSCGKSA-N 247.338 2.918 30 20 BFED C=CC[C@@H](C)NC(=O)[C@H]1CCCC(F)(F)C1 282859014 UOCIWKAGICWKAX-ZJUUUORDSA-N 231.286 2.893 30 20 BFED C=CCCOCCN[C@H](C)c1cc(C)ccn1 286031069 JGEOVBVMVMFJAK-CYBMUJFWSA-N 234.343 2.633 30 20 BFED CC[C@](C)(C#N)C(=O)Nc1ccc(C)c(O)c1 286787432 PJZQIPVELNRXGR-CYBMUJFWSA-N 232.283 2.579 30 20 BFED C=C(CNC(=O)C(C)(C)F)c1ccccc1 288192653 NQKKOAFOFUEMEY-UHFFFAOYSA-N 221.275 2.564 30 20 BFED COc1ccc(C#N)cc1NCCC(C)(C)C#N 288728419 NBRPHVRRQODATA-UHFFFAOYSA-N 243.310 2.919 30 20 BFED Cc1ccc(F)cc1C(=O)N[C@@]1(C#N)CC1(C)C 291481889 RSCQMFOKPXBRAF-CQSZACIVSA-N 246.285 2.556 30 20 BFED C=CCN(CCC#N)C(=O)[C@@H](CCC)C(C)C 292427391 LHQHRXVONZFVEE-ZDUSSCGKSA-N 236.359 2.987 30 20 BFED C=CC[C@H](C)[C@H](C)NCc1cnccc1OC 294010510 DGTREHAHIWUPMK-RYUDHWBXSA-N 234.343 2.781 30 20 BFED N#CC[C@@H](O)CSCc1ccccc1Cl 294191608 LBBANUXMYDYQKW-SNVBAGLBSA-N 241.743 2.848 30 20 BFED C#CCO[C@@H](C)c1nc(CC2(C)CCCC2)no1 296339945 GWMOIIKXCYYHLP-NSHDSACASA-N 248.326 2.903 30 20 BFED C[C@@H](CCC#N)N(C)OCc1ccccc1 299692953 NYSFYMMWAGBVGY-LBPRGKRZSA-N 218.300 2.742 30 20 BFED CS[C@@H](C)CNc1nccc(C#N)c1Cl 300227227 BMMZYNXMBRJNCR-ZETCQYMHSA-N 241.747 2.770 30 20 BFED C=C[C@H](Nc1cccc(C(C)C)c1)C(=O)O 301051961 VEUVQKZXMAAEMM-LBPRGKRZSA-N 219.284 2.861 30 20 BFED N#Cc1cccc(C#N)c1NC[C@H]1CCCS1 302883806 LEOMKTQBCJKWQN-GFCCVEGCSA-N 243.335 2.737 30 20 BFED CC/N=C(/NCCc1ccccc1)NC(C)(C)C 303469499 HNEMQAVQLLIYBJ-UHFFFAOYSA-N 247.386 2.583 30 20 BFED CCc1nc(C#N)cc(N[C@H]2CC[C@H](C)CC2)n1 308171962 UKUCDJPRGHUQCZ-XYPYZODXSA-N 244.342 2.901 30 20 BFED C=CCCCN[C@@H](C)c1ccncc1F 309125776 PLVDUIVOWUNOIZ-JTQLQIEISA-N 208.280 2.838 30 20 BFED C=C[C@H](COC)N[C@H](C)[C@@H](C)CCCC 309183999 OIUOEUWLGYKFNK-YNEHKIRRSA-N 213.365 2.992 30 20 BFED C=C(CC)CNc1ccccc1C[S@@](C)=O 309982162 WOUGHOOOLPMHLV-MRXNPFEDSA-N 237.368 2.943 30 20 BFED C#C[C@H](CC)NCc1ncc(C(C)(C)C)s1 309992497 BIXGJRDJXOTMIO-SNVBAGLBSA-N 236.384 2.942 30 20 BFED N#Cc1ccc(SC[C@@H]2CCOC2)cc1 334241354 PJBWJRMZXCHQCN-LLVKDONJSA-N 219.309 2.687 30 20 BFED C[C@@H]1CCC[C@@H](N(C)CC2(C#N)CC2)C1 334266343 MMSCDKGOLCBHJF-VXGBXAGGSA-N 206.333 2.801 30 20 BFED CC(C)C[C@@]1(C)CCCN1C(=O)[C@@H](C)C#N 334545237 WDTHUGAFYIUUOP-WCQYABFASA-N 222.332 2.573 30 20 BFED CN(C(=O)c1ccc(C#N)s1)c1ccccc1 334552337 XCXHNVURNSJMBI-UHFFFAOYSA-N 242.303 2.896 30 20 BFED CC(C)[C@](C)(C#N)NC(=O)[C@H]1CC12CCCC2 335389824 YPQKQRCPEMXZFK-YPMHNXCESA-N 234.343 2.621 30 20 BFED Cc1cccc2c1sc(=O)n2CC1(C#N)CC1 335458236 UPOBANOKOIAJSW-UHFFFAOYSA-N 244.319 2.675 30 20 BFED C[C@H]1C[C@@H](C)CCN(C(=O)CC(C)(C)C#N)C1 335798245 VRXRCXPMFNGZKZ-RYUDHWBXSA-N 236.359 2.821 30 20 BFED CC1=C(C(=O)N[C@@H](C#N)C(C)(C)C)CCC1 336040329 BMFYPWNHEVDCTH-NSHDSACASA-N 220.316 2.541 30 20 BFED N#Cc1c(F)cccc1Cn1cc(Cl)cn1 336095446 KWEDODQQUWFFAK-UHFFFAOYSA-N 235.649 2.596 30 20 BFED C=CC(C)(C)C(=O)N1CC2(CCCCC2)C1 336192463 LHEOMFONYSYOQV-UHFFFAOYSA-N 221.344 2.991 30 20 BFED CS[C@H]1CCN(Cc2ccc(C#N)s2)C1 336208795 ITQFJRGLIDBDCJ-JTQLQIEISA-N 238.381 2.557 30 20 BFED CC1(C#N)CCC(NC2CCCC2)CC1 336224575 MSJJFOHRODIEIC-UHFFFAOYSA-N 206.333 2.991 30 20 BFED Cc1cc(NC(=O)c2ccc(C#N)s2)sn1 336350995 WWZMLFXAUREDHI-UHFFFAOYSA-N 249.320 2.637 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@@H](C)[C@H]1CCCOC1 336733672 GORGLQJQRDQRIR-XUXIUFHCSA-N 225.376 2.992 30 20 BFED Cc1ccccc1[C@@H](C)NCC1(C#N)CC1 336738747 KPCVTCOOULRKSW-GFCCVEGCSA-N 214.312 2.949 30 20 BFED C=CC[C@H](C)NC(=O)c1oc(C(C)C)nc1C 340442546 YUAPWAFLLNFEFQ-VIFPVBQESA-N 236.315 2.801 30 20 BFED CC#CCNC(=O)c1cccc2ccsc12 341649748 KIPWUMDLTWEXDL-UHFFFAOYSA-N 229.304 2.654 30 20 BFED N#CCCCN[C@@H]1CCCOc2ccc(F)cc21 346807814 MLGPASDBOBSKFT-CYBMUJFWSA-N 248.301 2.933 30 20 BFED C[C@H](C#N)C(=O)NCCCC1CCCCC1 347077633 UNJODCVWLSZEQI-LLVKDONJSA-N 222.332 2.623 30 20 BFED C[C@@H]1C[C@]1(C#N)c1nc([C@H]2C[C@H]3CC[C@H]2C3)no1 351143381 FAQKTPJEVQDPGU-ADADXYTCSA-N 243.310 2.774 30 20 BFED C[C@H](NC(=O)CCCC#N)C1CCCCC1 360282474 JUAZJSIRTCJOKY-NSHDSACASA-N 222.332 2.765 30 20 BFED C=C(CC)CN1CC[C@](CO)(c2ccccc2)C1 361519536 ORRBUCWRLIMYEF-INIZCTEOSA-N 245.366 2.589 30 20 BFED CC(C)(NC(=O)CCCC#N)c1cccs1 361821440 QWEHXSFSZZOYGO-UHFFFAOYSA-N 236.340 2.793 30 20 BFED C=CCC[C@@H](CC)N[C@H]1CCc2c[nH]nc2C1 374443785 NEMFWNUSGQJBTK-OLZOCXBDSA-N 233.359 2.601 30 20 BFED C[C@@H]1C[C@H](C(=O)O)CCC1=NOC(C)(C)C 378794089 PJNMKWSDXWCHNT-RKDXNWHRSA-N 227.304 2.678 30 20 BFED CC(C)CCC[C@@H](C)Nc1cc(C#N)ncn1 379865358 MIRLJSUDKNTZHK-LLVKDONJSA-N 232.331 2.975 30 20 BFED CC(C)(C#N)CN[C@H]1CCc2cccc(O)c21 383668096 NMVNPPCJEKBKMP-NSHDSACASA-N 230.311 2.519 30 20 BFED C=CC(C)(C)CNCc1nc2ccccc2n1C 384910753 BUDURVKPZKHYGM-UHFFFAOYSA-N 243.354 2.875 30 20 BFED C=CCC[C@H](O)CN[C@H]1CCCC[C@@H]1CC 390427912 NJFUCRVJHUFIAO-IHRRRGAJSA-N 225.376 2.872 30 20 BFED C#C[C@@H](CC)NCc1ccc2occc2c1 390593584 ZZRLFKPVEYKZTA-ZDUSSCGKSA-N 213.280 2.934 30 20 BFED C#C[C@H](CC)NC[C@@H]1C[C@@H]1c1ccccc1 390675047 XASDAOWTSCNWSX-RRFJBIMHSA-N 213.324 2.792 30 20 BFED C[C@@H](CC(C)(C)C)Nc1cncc(C#N)n1 401278628 ZWHDACXEKXKVGH-VIFPVBQESA-N 218.304 2.585 30 20 BFED C=CCC[C@H](CC)N[C@@H](C)CCCCN 423433779 NLYIPUOTZDIEFA-STQMWFEESA-N 212.381 2.838 30 20 BFED CCOc1ccccc1CNCC1(CC#N)CC1 430034348 JPXGMFVVNBDJAX-UHFFFAOYSA-N 244.338 2.869 30 20 BFED CC[C@@H](CC(=O)NCC1(CC#N)CC1)C(C)C 431152143 VFTMFKZIAXYYDN-LBPRGKRZSA-N 236.359 2.869 30 20 BFED C=CC[C@H](CC)N=c1[nH]c2ccc(F)cc2n1C 431421281 JXUCIKSCWRDSOH-NSHDSACASA-N 247.317 2.901 30 20 BFED C=CC(C)(C)C(=O)NCC1(C(C)C)CC1 450071398 CUFQXLYGSRJTCD-UHFFFAOYSA-N 209.333 2.751 30 20 BFED CC[C@H]1CCCC[C@H]1CNc1nccc(C#N)n1 450619733 GHRTXJIHYXBTIE-RYUDHWBXSA-N 244.342 2.977 30 20 BFED CC[C@H](CC#N)NC(=O)[C@@]1(C)CC=CCC1 450872613 AZUWYLHIIYICLQ-YPMHNXCESA-N 220.316 2.541 30 20 BFED C=CCCc1noc([C@@H]2Cc3ccccc32)n1 453222675 ABHNULGQLOKCME-GFCCVEGCSA-N 226.279 2.876 30 20 BFED C=C(CC)CNC(=O)c1oc(C)cc1C 456812555 NIYKIGUUCQUHKB-UHFFFAOYSA-N 207.273 2.592 30 20 BFED CC(C)CCCCC(=O)N[C@H](C#N)C(C)C 457585185 SDFYDJVIQNKJSX-GFCCVEGCSA-N 224.348 2.867 30 20 BFED CC#CCCNC(=O)N1CCC(CC)(CC)C1 483430393 VSIIOZZTMHYEPV-UHFFFAOYSA-N 236.359 2.622 30 20 BFED C#C[C@@H](C)N(C)C(=O)[C@](C)(CC)CCC 491634979 TWPAEGLVXMNBHI-DGCLKSJQSA-N 209.333 2.683 30 20 BFED C#C[C@@H](NCc1c(C)nn(CC)c1C)C(C)(C)C 491664979 JYBNRDTURHVCDV-CQSZACIVSA-N 247.386 2.657 30 20 BFED C#C[C@H](CC)NCc1coc(-c2ccccc2)n1 491716700 ULAJISXZLUZHDB-CYBMUJFWSA-N 240.306 2.843 30 20 BFED CCCON=C(C)[C@H](C)NC(=O)OC(C)(C)C 496524089 DBGCLXSTRRVVPQ-VIFPVBQESA-N 244.335 2.702 30 20 BFED C=CCCCNC(=O)C1CC2(CCC2)C1 517941331 NWWQSLGDVBWGRG-UHFFFAOYSA-N 207.317 2.649 30 20 BFED CSCc1cccc(NC(=O)[C@@H](C)C#N)c1 524676627 UBRJGVRPWOJDGL-VIFPVBQESA-N 234.324 2.648 30 20 BFED C=C(CC)CN1CCC(OC(C)C)CC1 536890051 RCDXCDXDMNYVBE-UHFFFAOYSA-N 211.349 2.842 30 20 BFED C=C(C)Cn1c(CC)nnc1N1CC[C@H](C)[C@H]1C 558625685 AUSNYNJHUOHYRN-NWDGAFQWSA-N 248.374 2.651 30 20 BFED CN(CC(C)(C)C#N)c1nccc(C(C)(C)C)n1 558951690 WWOHALZVWFMXIU-UHFFFAOYSA-N 246.358 2.760 30 20 BFED C=CCC(CC=C)C(=O)NCC(C)(F)F 566933588 ZBNZBTXDMKYAOS-UHFFFAOYSA-N 217.259 2.526 30 20 BFED CC[C@H]1CC[C@H](C(=O)NCC2(C#N)CC2)CC1 571786452 FIHBIOCTFAFAFV-HAQNSBGRSA-N 234.343 2.623 30 20 BFED CC(C)N(CCC#N)C(=O)C1=CC[C@H](C)CC1 573440874 GEVLQQZNMQUZSV-LBPRGKRZSA-N 234.343 2.883 30 20 BFED Cc1nc2ccccc2nc1NCC1(C#N)CC1 580611151 LLPNZNRXAJUBNW-UHFFFAOYSA-N 238.294 2.654 30 20 BFED FC(F)(F)c1cccnc1C#CC1CC1 585143851 QEVTXCPCSIACPR-UHFFFAOYSA-N 211.186 2.862 30 20 BFED CC(C)=CCCNC(=O)CCCCCC#N 588165190 FIHVHALOOPUHSS-UHFFFAOYSA-N 222.332 2.933 30 20 BFED CC[C@@H]1CCC[C@H]1C(=O)N(C)[C@@H](C#N)CC 594089755 ATXIKHBYJCFOMH-IJLUTSLNSA-N 222.332 2.573 30 20 BFED CC[C@H](C#N)N(C)C(=O)c1ccc(C)c(F)c1 594098840 ZUWFUOHIGCIONW-LLVKDONJSA-N 234.274 2.508 30 20 BFED N#CCC1(CSc2nccn3ccnc23)CC1 594895016 IREBTYJTVFUWQW-UHFFFAOYSA-N 244.323 2.515 30 20 BFED COc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1C 595106678 TTYLQGGTPLQGOJ-TZMCWYRMSA-N 244.338 2.786 30 20 BFED COCCCCN(C)[C@H](C#N)c1ccccc1 595552566 NSEMJAJXJCPYIA-CQSZACIVSA-N 232.327 2.610 30 20 BFED CCCC[C@@H](C)N(C)C[C@@H](O)CC(C)(C)C#N 598616972 ONLWFVWWVDOGEZ-OLZOCXBDSA-N 240.391 2.798 30 20 BFED CC(C)CC[C@@H](C)NC[C@@H](O)CC(C)(C)C#N 598705065 XWPVLMYJPUNQOX-OLZOCXBDSA-N 240.391 2.701 30 20 BFED Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)CC#N)c1 599221471 NKRDFKYBUDQVKF-FPMFFAJLSA-N 242.322 2.517 30 20 BFED C[C@@H](CC#N)NCc1ccc(C#N)cc1Cl 602871246 PBNSSGLKLRCEGP-VIFPVBQESA-N 233.702 2.603 30 20 BFED COc1ccc(Cl)c(CN[C@H](C)CC#N)c1 602871442 RIASGKPGRCYMCB-SECBINFHSA-N 238.718 2.740 30 20 BFED CCC1(NC(=O)Nc2cc(F)cc(C#N)c2)CC1 603072259 NIGJQSDGZRCPBF-UHFFFAOYSA-N 247.273 2.761 30 20 BFED C[C@H](CNC(=O)c1ccc(CC#N)cc1)C1CC1 611146578 PVXQSQKQZCIVFI-LLVKDONJSA-N 242.322 2.529 30 20 BFED C=C(C)C(C)(C)C(=O)NCCC(C)(C)F 618412721 JJRWNHYENOPVHM-UHFFFAOYSA-N 215.312 2.843 30 20 BFED C=CCC1(NC(=O)c2cccn2C)CCCC1 619115034 RYWVTCQGIZDDOG-UHFFFAOYSA-N 232.327 2.644 30 20 BFED C=CCCC[C@@H](C)NC(=O)c1cn(CC)nc1C 626370949 ZXMZJTRTUKYTNB-LLVKDONJSA-N 249.358 2.686 30 20 BFED C=C[C@@H]1OCC[C@H]1c1nc(C[C@@H](C)CC)no1 632249565 PZKUMYITMNNZHR-AXFHLTTASA-N 236.315 2.717 30 20 BFED C=CCCC[C@H](C)Nc1cc(CO)ccn1 641480721 QZBNRLFAEZOGMY-NSHDSACASA-N 220.316 2.731 30 20 BFED C=CC1CCN(C(=O)NC2CC3(CCC3)C2)CC1 651454405 CCOQGNXTMJGJHN-UHFFFAOYSA-N 248.370 2.927 30 20 BFED C=CCCn1cc(CNc2ccc(C)cc2)nn1 656115488 NMUJXKMAPYMRED-UHFFFAOYSA-N 242.326 2.775 30 20 BFED C=CC(C)(C)CNCc1ccnn1CC1CC1 657481717 XAFRTWNAIAZHHB-UHFFFAOYSA-N 233.359 2.595 30 20 BFED C=CC[C@@H]1CCCN(C(=O)NC[C@H]2C[C@H]2C)C1 660339900 CRYVGWUOZWYCMY-JHJVBQTASA-N 236.359 2.640 30 20 BFED C=CCCNC(=O)NCC(C)(C)CC(C)C 660812597 AGISZVNMGKNCHD-UHFFFAOYSA-N 226.364 2.934 30 20 BFED C=CCCNC(=O)N1CC[C@@H](C(C)(C)C)C1 661564737 DJAIYTQYMKAUNO-LLVKDONJSA-N 224.348 2.640 30 20 BFED C=CCCNC(=O)N1C[C@H](C)CCC[C@H]1C 661570152 BPAPYWHOZXHENQ-VXGBXAGGSA-N 224.348 2.783 30 20 BFED C=CCN(Cc1cc(OC)ns1)C(C)(C)C 661757471 IWHDQHUAXBJKOL-UHFFFAOYSA-N 240.372 2.938 30 20 BFED C=CCC1(NCCN2CCCCC2)CCCC1 661847990 HXQDZJIWKFOSTI-UHFFFAOYSA-N 236.403 2.951 30 20 BFED C=C(CC)CN[C@](C)(COC)C(F)(F)F 662180800 CCTRMRNXGMGUGF-SECBINFHSA-N 225.254 2.510 30 20 BFED COCC#CCN[C@@H]1C[C@H](C)CC[C@H]1C(C)C 680383500 QVOVMWDOGPUIHA-QLFBSQMISA-N 237.387 2.687 30 20 BFED C=CCN(CC=C)C(=O)N(C)C(C)(C)CC 684899797 YZRVSBFIRLSHCY-UHFFFAOYSA-N 224.348 2.901 30 20 BFED Cc1c(Cl)cccc1OCCO[C@H](C)C#N 702633867 JBIADTQUYROIKY-SECBINFHSA-N 239.702 2.956 30 20 BFED C=CCCSCCN[C@H](C)C[C@@H]1CCOC1 710190889 FZVOIQYLPZBKSN-OLZOCXBDSA-N 243.416 2.700 30 20 BFED C=CCCOC(=O)c1cc2ccc(OC)cc2[nH]1 729073302 OTZUHPXXYVXTTJ-UHFFFAOYSA-N 245.278 2.909 30 20 BFED CCC[C@H](C)C(=O)[C@@H](C#N)c1cc(C)nc(C)n1 744025878 HTRLIDCSMJXDLF-CABZTGNLSA-N 245.326 2.706 30 20 BFED CC[C@H]1C[C@H](C)CN1C(=O)C#Cc1ccccc1 747422062 QJOGWRVZOGESHX-ZFWWWQNUSA-N 241.334 2.685 30 20 BFED C=C(Cl)Cn1c(C(F)(F)F)csc1=O 748626556 DGDWKYDTURGIER-UHFFFAOYSA-N 243.637 2.681 30 20 BFED C=CCNC(=S)N[C@@H](CCC)CCCC 749012737 JFFIMEOQRGVLRI-NSHDSACASA-N 228.405 2.995 30 20 BFED C#CCCCC(=O)NCc1cccc2cc[nH]c12 758061419 BAXNNKNXWIBETD-UHFFFAOYSA-N 240.306 2.588 30 20 BFED CC#CCCOC(=O)c1cc(C)c(OC)c(C)c1 760289217 JVYJQSXWTUGJBF-UHFFFAOYSA-N 246.306 2.882 30 20 BFED C=CCCC(=O)COC(=O)/C=C(/C)CCC 761390838 ZVIMVGUAHNWPJS-LUAWRHEFSA-N 224.300 2.811 30 20 BFED CC(C)ON=CC(=O)Nc1ccccc1Cl 761850227 UBUZAUPHVRNRDB-UHFFFAOYSA-N 240.690 2.689 30 20 BFED CC[C@H](C)[C@@H](C(=O)OCC#N)c1ccccc1 763771693 DVWTVFUACGLMKD-WCQYABFASA-N 231.295 2.883 30 20 BFED CCON=C(C)c1ccc(OCC)cc1 767464106 ZLFHGDAASGTOQT-UHFFFAOYSA-N 207.273 2.846 30 20 BFED CS[C@@H](C)CCC(=O)OCC1(C#N)CCC1 768090709 HMSSXRMZURPHRA-JTQLQIEISA-N 241.356 2.755 30 20 BFED CC(C)CNN=Cc1csc(C2CC2)n1 771561064 HSQKNGPDWWDWHT-UHFFFAOYSA-N 223.345 2.600 30 20 BFED Cc1cc(NN=C2CC3(CCC3)C2)nc(C)n1 772840558 NEHAFUGQPDAZJF-UHFFFAOYSA-N 230.315 2.825 30 20 BFED C=C(C)CN(C)C(=S)NC(C)(C)CC 774199170 MSKSAHMEDQCDJT-UHFFFAOYSA-N 214.378 2.557 30 20 BFED CCCCCC(C)=NOCCOCC 774437637 ZLTWPXBCMZDTHO-UHFFFAOYSA-N 201.310 2.996 30 20 BFED CC(=NOC1CCOCC1)c1ccc(C)o1 774451866 TZTSASLFCSRNBY-UHFFFAOYSA-N 223.272 2.508 30 20 BFED C=C(Cl)COC(=O)[C@@H]1C[C@@]1(C)C(C)C 775081735 XTBGCVSUZHKYSG-ONGXEEELSA-N 216.708 2.964 30 20 BFED C[C@@H]1C(=NNC2CCOCC2)CCC[C@H]1C 781125504 OTPYXHLBHGQRJS-MNOVXSKESA-N 224.348 2.567 30 20 BFED CC1(C)CC[C@H](C(=O)OCCCC#N)C1 781705843 QKDIPYGRDMMFML-JTQLQIEISA-N 209.289 2.660 30 20 BFED Cn1cccc1C=NN[C@@H]1CCCC1(C)C 782298860 CZOHHKJBCMTUKL-GFCCVEGCSA-N 219.332 2.527 30 20 BFED C[C@H](CNC(=O)CC(C)(C)C#N)C(C)(C)C 783566956 ZBHUAQFDYGKJFF-SNVBAGLBSA-N 224.348 2.725 30 20 BFED C=CCCCCCOC(=O)c1ncoc1C 783654883 QPPCGTOQTGWFPM-UHFFFAOYSA-N 223.272 2.886 30 20 BFED C=C[C@](C)(CC)C(=O)OCc1cc(C)no1 785763384 ZRRIGUIJRJDQDI-GFCCVEGCSA-N 223.272 2.629 30 20 BFED N#CC1(COC(=O)c2csc(Cl)c2)CC1 786349868 GLISYBCDYDFQAE-UHFFFAOYSA-N 241.699 2.862 30 20 BFED C[C@]1(C=NNC2CCCC2)CCCS1 793005583 XPGGEIJLOXMGIO-LLVKDONJSA-N 212.362 2.790 30 20 BFED C=CCCCOC(=O)[C@@H](OC)[C@@H](C)CC 795997968 FRZKTXRIBBLLGS-QWRGUYRKSA-N 214.305 2.557 30 20 BFED C=C(CC)COC(=O)C[C@@H]1CCC(=O)[C@@H]1C 796230386 QQNYCRSIZSXESO-MNOVXSKESA-N 224.300 2.501 30 20 BFED C=CCC(C)(C)C(=O)OCCCSCC#N 796461409 GBEUTWOGUBCLRD-UHFFFAOYSA-N 241.356 2.779 30 20 BFED C#C[C@H](NC(=O)NCC1(CC)CCC1)C(C)C 798543037 NCRLSIMRGFKSTG-LBPRGKRZSA-N 236.359 2.524 30 20 BFED CCSCCC/N=C/c1ccccc1O 800721696 RAAYUWPLIJJSRY-JLHYYAGUSA-N 223.341 2.954 30 20 BFED CC#CCCCC(=O)N(CC(C)(C)C)OC 804582910 NRHXAHSCXHZQRZ-UHFFFAOYSA-N 225.332 2.616 30 20 BFED C#C[C@@H](NC(=O)N[C@@H](C)C1CCC1)C(C)(C)C 808286140 AYRHYZFEMRWROX-CMPLNLGQSA-N 236.359 2.522 30 20 BFED C#C[C@H](NC(=O)N[C@@H]1CCC1(C)C)C(C)(C)C 808304421 VMRDYMZKXXQNEF-WDEREUQCSA-N 236.359 2.522 30 20 BFED C#CCC(C)(C)C(=O)OCc1coc(C(C)C)n1 810876358 HCACJEJODWESKC-UHFFFAOYSA-N 249.310 2.891 30 20 BFED C#CCON=C/C(C)=C/c1cccc([N+](=O)[O-])c1 812234159 SAWFELHGZACKJM-LQDUYCMOSA-N 244.250 2.634 30 20 BFED CCOc1ccccc1OC(=O)CCCC#N 812825505 VHDSBFHAHPSSMX-UHFFFAOYSA-N 233.267 2.685 30 20 BFED C[C@@H]1C(=NNc2ccccc2C(=O)O)C[C@H]1C 814768656 HOGNEDDXVFEQBM-BDAKNGLRSA-N 232.283 2.829 30 20 BFED CCC[C@H](CC)C(=O)Nc1cc(CC#N)ccn1 820992258 PMDVLFPNDIPGTG-LBPRGKRZSA-N 245.326 2.912 30 20 BFED C#CC1CCN(c2nc3cc(C)ccc3o2)CC1 826715139 NWELYYBJCRSQIT-UHFFFAOYSA-N 240.306 2.986 30 20 BFED C=C(Cl)CNC(=O)O[C@H](C)CC(C)C 830558284 REYFHKPJWRMBDA-SECBINFHSA-N 219.712 2.900 30 20 BFED C#CCCCCCCOC(=O)[C@H]1CCCCO1 835714318 JDNNNLYPUHQMAS-CYBMUJFWSA-N 238.327 2.682 30 20 BFED C=CCONC(=O)CCc1ccc(C(C)C)cc1 837045284 YXZYZARRAVGJDI-UHFFFAOYSA-N 247.338 2.976 30 20 BFED C=CCCCCOC(=O)C[C@H]1CCCC[C@@H]1O 837696376 DHUPVDTURCGKBH-OLZOCXBDSA-N 240.343 2.827 30 20 BFED CC(C)CC[C@@H]1CCC(=NN(C)[C@@H](C)CO)C1 842538243 IWFQPEJZRUAMRB-QWHCGFSZSA-N 240.391 2.891 30 20 BFED C=C[C@@](C)(CCOC)C(=O)OC/C(C)=C\C 842844403 SQIXFCKAZSTEAM-GXJZLWQJSA-N 226.316 2.725 30 20 BFED Cc1ccccc1C1(NC(=O)C#CC2CC2)CC1 843958659 OAGGHVLLFGVQIE-UHFFFAOYSA-N 239.318 2.514 30 20 BFED C=C[C@H](C)ONC(=O)c1ccc(C(C)C)nc1C 846552870 RSPWMNXFCIAPQR-JTQLQIEISA-N 248.326 2.749 30 20 BFED C=CCC(F)(F)C(=O)NC1CC2(CCC2)C1 846604907 DEEFEPNASLVPII-UHFFFAOYSA-N 229.270 2.647 30 20 BFED C=C(C)CN(CC)CC1(Br)CC1 846768775 RVIZSKHRNSKNPR-UHFFFAOYSA-N 232.165 2.812 30 20 BFED C[C@@H](C#N)COC(=O)C1CCC2(CC1)CC2 850901020 LBKYLOITMFRUTF-JTQLQIEISA-N 221.300 2.660 30 20 BFED C#CC1CCN([C@H](C#N)c2ccccc2)CC1 852205657 QUTPCLANBUCVLW-OAHLLOKOSA-N 224.307 2.596 30 20 BFED CCO[C@H]1CC(=NOCC2CCC2)[C@H]1SC 853440331 ABFORAYVUJDQOM-NWDGAFQWSA-N 243.372 2.700 30 20 BFED CC(=NOCC1CCC1)[C@]1(C)CCCO1 853441354 SQVZWBGOODEKGS-LBPRGKRZSA-N 211.305 2.748 30 20 BFED Cc1c(NC(=O)C#CC(C)C)cccc1[N+](=O)[O-] 854177500 XWEKKKYZMIWPFF-UHFFFAOYSA-N 246.266 2.501 30 20 BFED C=CCN(C(=O)C#CC1CC1)c1ccccc1 854508890 AWQQERXGLVTIOH-UHFFFAOYSA-N 225.291 2.619 30 20 BFED C=CCC1(NC(=O)/C(=C/C)CC)CCOCC1 855686507 KCIQDQPQNMAHKX-LFYBBSHMSA-N 237.343 2.584 30 20 BFED C=CCN(C(=O)NCC1CC(C)C1)C(C)C 856959222 DWSBUJYHWYPPMJ-UHFFFAOYSA-N 224.348 2.639 30 20 BFED C=C[C@H](OC(=O)[C@@H](C)OCC)c1ccccc1 857659237 UPHSCYPDYXEDQG-YPMHNXCESA-N 234.295 2.882 30 20 BFED C=CCCCS(=O)(=O)NCCCCCCC 859246415 DNUIQCFPPIJCTR-UHFFFAOYSA-N 247.404 2.842 30 20 BFED C=C[C@H](C)OC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21 860681755 KVJJHSAMKZKIPP-GSVCSZOMSA-N 228.291 2.690 30 20 BFED C#CCC[C@H](C)OC(=O)c1cocc1C 860825083 ASPJGXPIGPSADG-JTQLQIEISA-N 206.241 2.547 30 20 BFED CCCCCCCNC(=O)[C@@H](C)OCC1CC1 862359230 IHUQHUPOCCEQQF-GFCCVEGCSA-N 241.375 2.888 30 20 BFED CC(C)C1CCC(=NNCC(C)(C)O)CC1 863139515 JMSYOJWAAHFLII-UHFFFAOYSA-N 226.364 2.549 30 20 BFED C#CC(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 863259689 XESNFFBQQGKLOW-ZDUSSCGKSA-N 241.334 2.871 30 20 BFED C=CCOC(=O)[C@H](C)OCc1cccc(C)c1 869642896 YRQUEOGBPLSOFY-LBPRGKRZSA-N 234.295 2.629 30 20 BFED C#CCCCCCCN[C@@H]1CCN(CC2CC2)C1 877024427 DHPXPWPZAVOEFZ-MRXNPFEDSA-N 248.414 2.644 30 20 BFED C[C@@H](CC#N)NCc1cc(Cl)nc(Cl)c1 878817171 BPVYPSWEVKVADC-ZETCQYMHSA-N 244.125 2.780 30 20 BFED N#Cc1ccc(CCN2CCC[C@H](CF)C2)cc1 880237967 LRSFNQXARZLFSB-OAHLLOKOSA-N 246.329 2.782 30 20 BFED C=C[C@](C)(O)c1cn(CCC2=CCCCC2)nn1 881318177 XDRZXIGTSUBZSD-AWEZNQCLSA-N 247.342 2.562 30 20 BFED C#CCSCC(=O)N(C)C1CCCCCC1 887842468 KSQLIYILNITZEB-UHFFFAOYSA-N 239.384 2.534 30 20 BFED C=C1CCC(C(=O)N2CC[C@@H](CC)C2)CC1 889458210 UNTZQDDBWZCSKR-GFCCVEGCSA-N 221.344 2.991 30 20 BFED C=CCC1(C(=O)NC/C=C/Cl)CCCC1 891198771 MIAKMKNBTXBWIF-WEVVVXLNSA-N 227.735 2.992 30 20 BFED CC[C@@H](C#N)C(=O)NC1(C2CCCCC2)CC1 891275623 NUGIELJDBCVOQX-NSHDSACASA-N 234.343 2.765 30 20 BFED C=C(Cl)CN[C@@H](C)CSCCC 893351139 PUVYHDWUMNTCRH-VIFPVBQESA-N 207.770 2.860 30 20 BFED C=CCC(CC=C)C(=O)Nc1ncc(C#N)s1 896484890 QOYHIJRCIPSRFY-UHFFFAOYSA-N 247.323 2.722 30 20 BFED C=C1CC(c2noc([C@H](OC)C(C)C)n2)C1 896877050 FVKIKJWSGQGNMX-SNVBAGLBSA-N 222.288 2.847 30 20 BFED C#CCN(Cc1cccc(C)c1O)C(C)C 897171459 ZWNPIDKDVBSCAO-UHFFFAOYSA-N 217.312 2.544 30 20 BFED C=C1CN(C(=O)c2ccc(CSCC)cc2)C1 898695768 JOYSZFAEUBIXMC-UHFFFAOYSA-N 247.363 2.952 30 20 BFED C/C(=C(\F)C(=O)N[C@@H](C#N)C(C)(C)C)C1CC1 900971768 LFZAOPXCLJGSGH-NGPGYTDTSA-N 238.306 2.694 30 20 BFED C=CC[C@H](C)[C@@H](C)N[C@H]1CC[C@@H](C(=O)OC)C1 903129554 CILIUURBJZJBIY-LOWDOPEQSA-N 239.359 2.518 30 20 BFED C=C[C@H](CC)CC(=O)N(C)c1ccc(C#N)nc1 905991565 NQHHDVHDAMOKEL-LLVKDONJSA-N 243.310 2.518 30 20 BFED C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H](C)C1CC1 908652980 VAYOEECCBQJDKP-DGCLKSJQSA-N 249.354 2.559 30 20 BFED C=C[C@H](CC)CC(=O)OCCOC(C)(C)C 909526420 XDDWWZNWLZIKOO-LLVKDONJSA-N 228.332 2.947 30 20 BFED C=CCCCOC(=O)c1ccc(C#N)cc1OC 910247612 PHTUFHAIBFVSAY-UHFFFAOYSA-N 245.278 2.690 30 20 BFED CON=Cc1ccccc1OC1CCCC1 920371212 GRGYDRWFKMJCSQ-UHFFFAOYSA-N 219.284 2.988 30 20 BFED C=CCCNC(=O)N1[C@@H](C)CCC1(C)C 923222382 JCYGHEUDJJFLOA-JTQLQIEISA-N 210.321 2.535 30 20 BFED C=CCCOC(=O)c1ccc(C(C)C)nc1O 924081979 RSVCSPGCJMOQEP-UHFFFAOYSA-N 235.283 2.644 30 20 BFED C=C[C@H](CC)CC(=O)N(C)c1cccnc1 932655853 LMPQSBGVAOANDH-LLVKDONJSA-N 218.300 2.647 30 20 BFED C=CC(C)(C)c1nnc([C@H]2CCCCO2)o1 1118436189 ZBVRNRMTPSCXSO-SECBINFHSA-N 222.288 2.775 30 20 BFED C=CCC[C@@H]1CCCN1c1cc(COC)ncn1 1262711998 OXYZFRCPKUELLL-CYBMUJFWSA-N 247.342 2.558 30 20 BFED C=C[C@H](COC)N[C@@H](C)Cc1ccccc1C 1321240728 GHXNMECZAUVXFQ-DZGCQCFKSA-N 233.355 2.717 30 20 BFED CCC(=NNCC(C)C)c1ccc(O)cc1 1323375053 FILXSFMAYAZVSL-UHFFFAOYSA-N 220.316 2.752 30 20 BFED CC[C@@H]1CC[C@H]1NCc1cccc(OCC#N)c1 1324584141 DVUJGMOLNUQXLA-UKRRQHHQSA-N 244.338 2.867 30 20 BFED C=CCN(C)[C@@H](C(=O)O)c1ccccc1Cl 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C=C[C@](C)(CC)COC(=O)/C=C(/C)COC 845526407 HEBXUTLJGSSVAW-BIRHUZIMSA-N 226.316 2.725 30 20 BFED C=CC(C)(C)CCOC(=O)/C=C/c1cnn(C)c1 851298429 AXOPLVLRMRKUGK-VOTSOKGWSA-N 248.326 2.579 30 20 BFED C#C[C@@](C)(CC)NC[C@H]1CCCCN1C(C)C 852103274 CPRWQMUKWHPZDJ-CABCVRRESA-N 236.403 2.641 30 20 BFED C=C[C@H](C)OC(=O)Cc1cc(C)cc(C)c1 853118126 JGJGWELWSQDADU-LBPRGKRZSA-N 218.296 2.964 30 20 BFED C#C[C@](C)(CC)NC(=O)C=C(C1CC1)C1CC1 854701170 NLGULMQOUIQBSK-OAHLLOKOSA-N 231.339 2.651 30 20 BFED CC(C)C(=NNc1ncc(Cl)cn1)C1CC1 857223578 VADPZESGHSPDTG-UHFFFAOYSA-N 238.722 2.964 30 20 BFED C=CC(C)(C)COC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 860807155 SEQJJSGIGJKWQF-BJDJZHNGSA-N 240.343 2.801 30 20 BFED CCCCCCCNC(=O)C1(C)CCOCC1 862359124 DXMJZELBTMOQJJ-UHFFFAOYSA-N 241.375 2.890 30 20 BFED C=C(C)CN(CC)C(=O)N[C@@H]1CC12CCC2 876428579 XUPBZZJLAQKNTB-LLVKDONJSA-N 222.332 2.537 30 20 BFED C=CC[C@H](C)NCc1c(C)cccc1O 877036333 OALPHBMSJWTRIP-NSHDSACASA-N 205.301 2.755 30 20 BFED C#CCCOC(=O)N[C@H](c1cccs1)C1CC1 884902692 YTACSNGLYZCSIZ-LBPRGKRZSA-N 249.335 2.949 30 20 BFED C=C1CCN(C(=O)N[C@@H]2CCC[C@@H]2C)CC1 892841204 UJSKWMHFQITPRE-NWDGAFQWSA-N 222.332 2.537 30 20 BFED C=CC1(OC(=O)[C@H](Cc2ccccc2)OC)CC1 893358009 AEPWTHLISQNDAN-ZDUSSCGKSA-N 246.306 2.506 30 20 BFED C=CC1(OC(=O)c2ccc(F)c(OC)c2)CC1 893362998 QDQYEZMOGGSYPQ-UHFFFAOYSA-N 236.242 2.710 30 20 BFED N#C[C@H](NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)C1CCCC1 893709240 MNLZFLYXTQXJIS-RQJABVFESA-N 246.354 2.621 30 20 BFED C=C1CN(C(=O)CCc2ccc(Cl)s2)C1 898693089 GVQFLCLNVSXAMH-UHFFFAOYSA-N 241.743 2.733 30 20 BFED Cc1cc(F)ncc1C=NN1CCCC[C@@H]1C 901261070 BYBOOUAXVCPACU-NSHDSACASA-N 235.306 2.737 30 20 BFED C=CCOCCSCC1CC(C)C1 901792515 KHFPPSUFRCDWSQ-UHFFFAOYSA-N 200.347 2.968 30 20 BFED C=CCOc1ccc(C(=O)OC/C=C\C)cc1 913365915 XSJNSDPDZWJIIY-HYXAFXHYSA-N 232.279 2.984 30 20 BFED C=CCNC(=S)NCC1CCCCCCC1 917595500 UQCMWWUCEPQTME-UHFFFAOYSA-N 240.416 2.997 30 20 BFED CCCC1(CNC(=O)N2CCC[C@@H](C#N)C2)CC1 921453640 SGPDIRBKLKRGMV-LBPRGKRZSA-N 249.358 2.512 30 20 BFED C#CCN(C(=O)c1cc[nH]c1C(C)C)C(C)C 928624241 CHEVIDHOKWGECB-UHFFFAOYSA-N 232.327 2.622 30 20 BFED C#CCN(Cc1ccc(C#N)c(C)c1)C(C)C 932388193 XNWKAVKVTHREIA-UHFFFAOYSA-N 226.323 2.710 30 20 BFED C=C[C@H](CC)CC(=O)NC[C@@H]1CCC[C@H]1OC 935243305 SEDLTPMXXAKWON-FRRDWIJNSA-N 239.359 2.520 30 20 BFED Cc1ccccc1Cc1nnc(C#CC2CC2)o1 1118434212 DFETZGGTUQAXTH-UHFFFAOYSA-N 238.290 2.730 30 20 BFED C=C(C)CCC(=O)Nc1nnc(C(C)C)s1 1120872480 QAQREMBRIKKELS-UHFFFAOYSA-N 239.344 2.956 30 20 BFED C=C(CC)C(=O)Nc1nnc(C(C)(C)C)s1 1123600587 MEMCMCXBNHRLEE-UHFFFAOYSA-N 239.344 2.740 30 20 BFED CS[C@H](C)C(=O)O[C@H](C)c1cccc(C#N)c1 1127091559 ZHQWPOSTMYTSLV-NXEZZACHSA-N 249.335 2.914 30 20 BFED C=CCCCCCN[C@@H](C)C[C@H](C)NC(C)=O 1133433195 VQNDWAMUQHILQZ-STQMWFEESA-N 240.391 2.626 30 20 BFED CCCc1ccn(CCC(C)(C)C#N)n1 1321191260 BSTFHIILBWNQFX-UHFFFAOYSA-N 205.305 2.775 30 20 BFED C=C(C)CCC(=O)NCc1cc(C)nc(C)c1 1335962857 PYIMJOVUMZJEOS-UHFFFAOYSA-N 232.327 2.671 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)C[C@H]1CCCO1 1339035991 GTNFPAREXRHVHG-CHWSQXEVSA-N 237.343 2.513 30 20 BFED C#CCN(Cc1cn(C(C)C)nc1C)CC1CC1 1344530237 BAIKJPCWBKRVGX-UHFFFAOYSA-N 245.370 2.618 30 20 BFED C=CC(C)(C)C(=O)O[C@H](C)CCCOC 1345623355 CJBCBFJRDNNZGT-SNVBAGLBSA-N 214.305 2.557 30 20 BFED C=CC1(OC(=O)[C@@H]2CC23CCCC3)CC1 1346465807 WICWSCKZMZGBEX-JTQLQIEISA-N 206.285 2.829 30 20 BFED N#Cc1ccc(Oc2cnc(F)cc2Cl)nc1 1347802518 HKVPONVHXHNKRH-UHFFFAOYSA-N 249.632 2.933 30 20 BFED C=CCCOCCCCC(=O)N(OC)C(C)C 1350924255 QLZFLXJEJRGPGA-UHFFFAOYSA-N 243.347 2.548 30 20 BFED C=C(CC)CN1CCNCc2c(C)cccc21 1574848888 GCBGVDWMVXMRMD-UHFFFAOYSA-N 230.355 2.871 30 20 BFED Cc1c(NCC2(CC#N)CC2)cccc1C(=O)O 1600053253 VXANDSBWKSZGCY-UHFFFAOYSA-N 244.294 2.799 30 20 BFED CCc1ncc(COc2cccc(F)c2C#N)o1 1613645918 STDATIQTRDXQAS-UHFFFAOYSA-N 246.241 2.827 30 20 BFED N#Cc1c(F)cccc1NCCc1ccncc1 3170073 PIVUGOOYGZJRRA-UHFFFAOYSA-N 241.269 2.747 30 20 BFED N#Cc1ccc(OC(=O)C2CCCC2)cc1 32180093 ROZSAQJIZMVUKD-UHFFFAOYSA-N 215.252 2.654 30 20 BFED C=CCN(Cc1ccccc1)C(=O)CC 34493919 ARTLACLBAKJPFR-UHFFFAOYSA-N 203.285 2.611 30 20 BFED C[C@H](C#N)CNCc1ccc(Cl)cc1 36667703 NCYVKGXKFBMAJP-SECBINFHSA-N 208.692 2.589 30 20 BFED Cc1csc(CNCc2ccc(C#N)cc2)n1 37996893 AVZARKKDQHTMHP-UHFFFAOYSA-N 243.335 2.613 30 20 BFED CCCC[C@H](CC)C(=O)N[C@@H](C#N)CC 40350895 WLOLXJQTHMYIFX-WDEREUQCSA-N 210.321 2.621 30 20 BFED CCCCCN(C(=O)[C@@H](C#N)CC)C(C)C 44826636 YPOAJQKAJAGHSS-GFCCVEGCSA-N 224.348 2.963 30 20 BFED C=CCNC(=O)C1(c2ccc(F)cc2)CCCC1 45479859 UOFNXCDAOUCEFB-UHFFFAOYSA-N 247.313 2.940 30 20 BFED CC[C@H](C)N(CC#N)Cc1ccccc1 52658578 PZKZYBZVQWCUAN-LBPRGKRZSA-N 202.301 2.811 30 20 BFED C[C@@H](C#N)CNC(=O)Nc1ccc(Cl)cc1 54157543 RGCDOJBTAGOJNV-QMMMGPOBSA-N 237.690 2.621 30 20 BFED C#CCOC(=O)c1ccc(OCCCC)cc1 58818555 YJIKONDQVCOWEM-UHFFFAOYSA-N 232.279 2.656 30 20 BFED C[C@@H](NCc1ccnc(C#N)c1)c1ccccc1 68751105 CECOVGZZUQVUJM-GFCCVEGCSA-N 237.306 2.804 30 20 BFED CC(C)(C)CCNc1ncccc1C#N 75669543 MMONMESOSUKLDC-UHFFFAOYSA-N 203.289 2.801 30 20 BFED CC[C@H]1CCCN(C(=O)C#Cc2ccccc2)C1 80547872 OMUAVIFZUZGEBB-AWEZNQCLSA-N 241.334 2.687 30 20 BFED Cc1cccc(/C=C\C(=O)c2cnn(C)c2)c1 96298762 PNCNCCFMPJFCHM-SREVYHEPSA-N 226.279 2.625 30 20 BFED C#CCNC(=O)CCCCCCCCC 106167293 NINYGBCTPMKFPV-UHFFFAOYSA-N 209.333 2.877 30 20 BFED C=CC1CCN(C[C@H](O)c2ccccc2)CC1 111258612 GPUKFMZGRVCYJF-HNNXBMFYSA-N 231.339 2.618 30 20 BFED COCCCSCc1ccccc1C#N 111659147 JHFWHCXDJBLONL-UHFFFAOYSA-N 221.325 2.828 30 20 BFED Cc1cccc(/C=C/C(=O)c2cnccn2)c1 115962303 FTZFCDHGCXEOHJ-AATRIKPKSA-N 224.263 2.681 30 20 BFED C=CC[C@H](C)NC(=O)Cc1c[nH]c2ccccc12 116851063 MDRZSXQYJWCCNO-NSHDSACASA-N 242.322 2.791 30 20 BFED C=C[C@H](C)N[C@H]1CN(Cc2ccccc2)C[C@H]1C 119346688 CWNYQQJBGLWPCY-YCPHGPKFSA-N 244.382 2.671 30 20 BFED CC#CCN[C@H]1CCC[C@H]1c1ccccc1 119405411 OMYHVNZPMKLEQY-GJZGRUSLSA-N 213.324 2.936 30 20 BFED C=C(C)CN(C)[C@@H]1C[C@H](OCC)C12CCC2 121062240 VMEZMUMZDKPLIZ-OLZOCXBDSA-N 223.360 2.842 30 20 BFED C=CCN(C)Cc1csc(CCC)n1 121402853 OKZKKOHBPVTSLL-UHFFFAOYSA-N 210.346 2.713 30 20 BFED CC#CCNC(=O)C[C@@H](CC)CCCC 121435942 AJOGAZJTTIHVCN-LBPRGKRZSA-N 209.333 2.732 30 20 BFED CCC(=O)c1ccccc1OCCC#N 121754585 MEXNEXFPPULYCS-UHFFFAOYSA-N 203.241 2.572 30 20 BFED C[C@@H](C(=O)Nc1ccc(OCC#N)cc1)C1CC1 122218540 IGPLGPDHJDPPQF-SNVBAGLBSA-N 244.294 2.574 30 20 BFED C=CC[C@H](C)NC[C@H](O)c1ccc(Cl)cc1 122219456 YRYQMEJWBIUFOG-GWCFXTLKSA-N 239.746 2.928 30 20 BFED CCC[C@H](CC)Nc1cnccc1C#N 125008009 JJYJZXJXHZWAAL-NSHDSACASA-N 203.289 2.944 30 20 BFED C[C@H](S)c1cnn(-c2ccccc2)c1 128995743 HJCTWZZVFIXEHL-VIFPVBQESA-N 204.298 2.863 30 20 BFED CC(=O)c1c(F)cc(F)cc1OCCCC#N 129035450 WOTBRQWVOLKGHW-UHFFFAOYSA-N 239.221 2.850 30 20 BFED C=C(C)COCCNC(=O)CC1=CCCCC1 136210307 BPFHMKVVFWCIMZ-UHFFFAOYSA-N 237.343 2.586 30 20 BFED N#CCC[C@@H](NC(=O)CC1CC1)c1ccccc1 153219626 MJGYTSUTELKSOY-CQSZACIVSA-N 242.322 2.948 30 20 BFED C=C(C)CNC(=O)c1ccc(F)c(Cl)c1 153424072 SYXOWCMDMBKUCM-UHFFFAOYSA-N 227.666 2.785 30 20 BFED N#CCC[C@H](C#N)COc1cccc(F)c1C#N 154246977 UKSMFFXAPNEWKV-SNVBAGLBSA-N 243.241 2.520 30 20 BFED C#CCNc1ccccc1OC[C@H]1CCCCO1 154815660 AUTRHCCROVMANW-CYBMUJFWSA-N 245.322 2.680 30 20 BFED C=CCCOCCNC(=O)CC1=CCCCC1 155265480 IQGZYXXEQQPCAI-UHFFFAOYSA-N 237.343 2.586 30 20 BFED C=C(C)CNC(=O)N1CC[C@H](CC(C)C)C1 156259329 KDMALNOBVZLZLS-GFCCVEGCSA-N 224.348 2.640 30 20 BFED CC[C@H](C)C(=O)Oc1ccc(C#N)cc1F 157989148 UGKNFORZZNAXNG-QMMMGPOBSA-N 221.231 2.649 30 20 BFED C[C@H](Nc1ccc(C#N)cn1)C1CCC1 160058250 JTPDTNIEXVGVER-VIFPVBQESA-N 201.273 2.554 30 20 BFED N#CCCCCSCc1cccc(C(N)=O)c1 161382243 GWWXJDYPZWRNIM-UHFFFAOYSA-N 248.351 2.713 30 20 BFED C=CCN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1C 161545709 LMUNKHXQBJYYLD-UONOGXRCSA-N 229.323 2.743 30 20 BFED CC(C)(C)OC1CCN(CCCC#N)CC1 162635859 SIBUKRMKGQGXNG-UHFFFAOYSA-N 224.348 2.570 30 20 BFED C=CCSCCNCc1ccc(C#N)cc1 163894005 QTKVVDHYWNDVGJ-UHFFFAOYSA-N 232.352 2.567 30 20 BFED C=CCCCC(=O)Nc1ccc2[nH]ncc2c1 175199231 DKHQSNFTYFFTQW-UHFFFAOYSA-N 229.283 2.858 30 20 BFED Cc1cc(C)c(C(=O)Oc2ccc(C#N)cc2)o1 175221089 WEBBOYLFAPOGBR-UHFFFAOYSA-N 241.246 2.987 30 20 BFED C#CCCCNC(=O)CCCc1ccc(C)s1 176018276 AUFDCLLHYMRDAY-UHFFFAOYSA-N 249.379 2.909 30 20 BFED C#CCCCCC(=O)Nc1ccc(F)cc1OC 179727693 UTQZJKFXAVHCHK-UHFFFAOYSA-N 249.285 2.966 30 20 BFED Cc1cccc(CN(CCC#N)CC2CC2)c1O 180057365 PBJSNYRLLMWZJS-UHFFFAOYSA-N 244.338 2.826 30 20 BFED C=C(C)CN(C)CCc1ccc(OC)cc1 181258992 HOCRTYUTTLMQNK-UHFFFAOYSA-N 219.328 2.746 30 20 BFED CC#CCNc1ccccc1C(=O)N(CC)CC 182304025 DAUKYZXNISJZRI-UHFFFAOYSA-N 244.338 2.604 30 20 BFED C[C@@H](C#N)CNCc1cc(F)cc2cccnc12 183828994 ZFJQIYYEVBFNPK-JTQLQIEISA-N 243.285 2.623 30 20 BFED C#CCC(C)(C)C(=O)Oc1ccc(F)cc1 184866651 XZHSTSOUOHNDAL-UHFFFAOYSA-N 220.243 2.781 30 20 BFED CC#CCCCC(=O)NCCCc1ccccc1 184886616 MBJCEERPCKHOEG-UHFFFAOYSA-N 243.350 2.929 30 20 BFED C/C=C/C[C@H](CO)N[C@H](C)c1cccc(C#N)c1 186516714 SOJXDFRGJFKQOF-RRSPZVPKSA-N 244.338 2.536 30 20 BFED C#CCCCC(=O)N1CCc2ccccc2[C@@H]1C 192283435 VKGRRDPOJNFCQI-ZDUSSCGKSA-N 241.334 2.936 30 20 BFED CCCCCCCCn1nc(SC)[nH]c1=O 194577313 VNLHDWYCGQSHEE-UHFFFAOYSA-N 243.376 2.654 30 20 BFED O=C(NO)c1ccc(Oc2ccc(F)cc2)cc1 201135639 FPAICMRAANFZFQ-UHFFFAOYSA-N 247.225 2.737 30 20 BFED N#Cc1cccc(NC2CCC(C(=O)O)CC2)c1 213045784 VIRZEBUEEUCBBV-UHFFFAOYSA-N 244.294 2.614 30 20 BFED N#Cc1ccc(NCCC2CCOCC2)cc1 221947373 KXMTXVUQNHVZFV-UHFFFAOYSA-N 230.311 2.787 30 20 BFED C#Cc1cccc(NC[C@H]2CCSC2)c1 224272776 OEXRVDJGYCLXHL-GFCCVEGCSA-N 217.337 2.833 30 20 BFED C[C@H]1C[C@H]1c1noc(-c2ccc(C#N)cc2)n1 230999460 KMAZFHCLSHYBLM-GZMMTYOYSA-N 225.251 2.732 30 20 BFED C#C[C@@H](CCC)NC(=O)CCCc1cccs1 233295045 YTOVDIFASNFNBR-LBPRGKRZSA-N 249.379 2.989 30 20 BFED C=CCC[C@H](O)CN1C[C@@H](C)CCC[C@H]1C 247338019 JIMYTLSIQJIGBF-MJBXVCDLSA-N 225.376 2.824 30 20 BFED C/N=C(/NC1CC1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 262232670 MNQREFYQXXMEMD-OUCADQQQSA-N 249.402 2.673 30 20 BFED C#CC(C)(C)NC(=O)[C@@H](C)Cc1ccccc1F 265659662 DGXLVPFAWVJPLB-NSHDSACASA-N 247.313 2.532 30 20 BFED C#Cc1cccc(NC(=O)C2(C)CCC2)c1 267316260 BUGFSXLEVULYKK-UHFFFAOYSA-N 213.280 2.797 30 20 BFED CC(C)CCN(CCC#N)c1cccc(C#N)n1 270025203 FQBXBDIPUAXGBP-UHFFFAOYSA-N 242.326 2.719 30 20 BFED C=C(C)[C@H](CC(=O)Nc1cccnc1C)OCC 270206835 RDRUPOBJTODETQ-ZDUSSCGKSA-N 248.326 2.700 30 20 BFED C[C@@H](N(C)c1ccc(C#N)nc1)C1(C)CC1 270680212 CHTFSWWECTVOIN-SNVBAGLBSA-N 215.300 2.578 30 20 BFED C#C[C@H](C)NC(=O)[C@H](C)c1cccc(Cl)c1 274702280 VUBVWSXOMLVUHN-VHSXEESVSA-N 235.714 2.581 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@@H](C)c1c(C)n[nH]c1C 281689456 LGWJELIZWNYMPN-JOYOIKCWSA-N 249.358 2.601 30 20 BFED N#CCN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 282125758 QZICJVSJFJIJJH-HUUCEWRRSA-N 224.307 2.830 30 20 BFED CC1(C)CC[C@@H]1NCc1ccc(C#N)cc1F 284102552 BWDQVCMHSLUMHU-ZDUSSCGKSA-N 232.302 2.976 30 20 BFED C=C(C)CCc1noc(COC(C)C)n1 285222225 UXVSBIKGSVNMER-UHFFFAOYSA-N 210.277 2.503 30 20 BFED C=CCCCCCCNS(=O)(=O)CCC=C 286846089 XCTHOVWXVFCQOS-UHFFFAOYSA-N 245.388 2.618 30 20 BFED C=CCCCC(=O)NC[C@H]1CCCSC1 288326520 KQKBOEOHIRSOPY-LLVKDONJSA-N 227.373 2.602 30 20 BFED CCC[C@@H](CNc1snc(C)c1C#N)OC 294782074 SFNLROQOGVBRJW-VIFPVBQESA-N 239.344 2.550 30 20 BFED Cc1ccoc1CN(C)[C@@H](C)CCC#N 298049565 FBHKPNYHTCUEPJ-NSHDSACASA-N 206.289 2.712 30 20 BFED N#Cc1ccc(S[C@@H]2CCCCC2=O)nc1 298310592 ODWOWAZEZREGQC-LLVKDONJSA-N 232.308 2.557 30 20 BFED C[C@@H](CCC#N)N(C)CCc1cccs1 299418346 WPVIRVPMCVPANA-NSHDSACASA-N 222.357 2.915 30 20 BFED C=CCN1CCC(c2noc(C(C)C)n2)CC1 299643110 KMARSXPXVBHPKS-UHFFFAOYSA-N 235.331 2.558 30 20 BFED CC(C)CCN/C(N)=N/C[C@H](C)c1ccccc1 303776891 IBEVJRILEXEYOK-ZDUSSCGKSA-N 247.386 2.741 30 20 BFED C=C(CC)COC(=O)c1cccc(C)c1N 309316724 YYVGJVDSDVOIPU-UHFFFAOYSA-N 219.284 2.700 30 20 BFED CC[C@H](C)C[C@@H](C)Nc1ccnc(C#N)n1 309338339 KBUMFOYDDJTXDB-VHSXEESVSA-N 218.304 2.585 30 20 BFED C=CCC[C@@H](NC[C@@H](CO)CC=C)C1CC1 309563776 KFKRGEZRXSWKHP-GXTWGEPZSA-N 223.360 2.505 30 20 BFED C=CCCCCC[C@H](C)NCC(F)(F)CO 309594026 VRLARRCRRQBMMU-NSHDSACASA-N 235.318 2.729 30 20 BFED 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247.363 2.648 30 20 BFED CCCON=CC(C)(C)NC(=O)OC(C)(C)C 497196874 PCMXVHXQTAYRQK-UHFFFAOYSA-N 244.335 2.702 30 20 BFED CCN(Cc1ncccc1Cl)C[C@H](C)C#N 528368654 WAAGLEXZXLSNEB-SNVBAGLBSA-N 237.734 2.717 30 20 BFED C=C1CCN(C(=O)c2conc2C(C)C)CC1 528427719 AFJJYEMVFGMOFP-UHFFFAOYSA-N 234.299 2.590 30 20 BFED CC#CCN1C[C@H](C)CN(C)c2ccccc21 533533407 UKGBGKSIAITMEP-CYBMUJFWSA-N 228.339 2.602 30 20 BFED C=CCCC(=O)N1CCC[C@H](c2ccncc2)C1 552044889 RDFLVUZMRLOQAW-AWEZNQCLSA-N 244.338 2.754 30 20 BFED CC(C)N(CCC#N)C(=O)C[C@@H]1CC[C@@H]2C[C@H]12 562513713 PYXCZDNPUHNGPA-AGIUHOORSA-N 234.343 2.573 30 20 BFED CCC[C@@H]1C[C@H]1C(=O)N(C)c1cccc(C#N)c1 567808752 IXSFSXDCEQFSNT-TZMCWYRMSA-N 242.322 2.957 30 20 BFED C=CCCCCN(C)C[C@@H]1CCCC[C@@H]1O 571988658 UYWJJODBLWHJRO-KBPBESRZSA-N 225.376 2.826 30 20 BFED CCc1cc(Nc2ccc(C#N)nn2)ccc1F 588064908 SJIQEYJZJPCGPQ-UHFFFAOYSA-N 242.257 2.793 30 20 BFED N#CCCCCCC(=O)NCc1ccc(F)cc1 588147300 QHXOURUIGXLSBL-UHFFFAOYSA-N 248.301 2.916 30 20 BFED 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C=CCN(C(=O)c1nccs1)C(C)(C)C 622944725 CFFLYNJQXNWBHX-UHFFFAOYSA-N 224.329 2.570 30 20 BFED C=CCN(C(=O)c1cc(C)sn1)C(C)(C)C 622944840 HKZMQKVTKAGNEU-UHFFFAOYSA-N 238.356 2.878 30 20 BFED C=CC[C@H](CO)CN[C@H]1CCCCC[C@H]1C 651747522 HPYVDPUNNWBCKV-RDBSUJKOSA-N 225.376 2.729 30 20 BFED C=CCC[C@@H](C)NCc1cccc(N)c1 656786045 UJWSLMZEAWKDSG-LLVKDONJSA-N 204.317 2.713 30 20 BFED C=CCCCCN1CCC[C@H](C)[C@@H]1CCO 661501992 YMUGNWDDNKNDIT-KBPBESRZSA-N 225.376 2.826 30 20 BFED C=CCCC(C)(C)NC(=O)NCCC1CC1 664238470 HDGZJZNZEVRHOC-UHFFFAOYSA-N 224.348 2.831 30 20 BFED C=CC[C@@H](CC)NC(=O)NC[C@H](C)C1CC1 684890530 WFYUUTKMCRIUQY-CMPLNLGQSA-N 224.348 2.686 30 20 BFED N#C[C@H]1CCCN(C(=S)Nc2ccccc2)C1 694084251 ZOSUSLCVHHZXRQ-LLVKDONJSA-N 245.351 2.619 30 20 BFED Cc1cc(OC[C@H]2CCCCNC2)ccc1C#N 697089559 NPETWOPUTKWFOO-ZDUSSCGKSA-N 244.338 2.635 30 20 BFED C=CCCCN[C@H]1CCC[C@@H](OCC)C1 721259872 HHDJXYGWBQHQFE-QWHCGFSZSA-N 211.349 2.890 30 20 BFED C#CCCOC(=O)C[C@H](C)c1ccccc1F 727042306 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248.278 2.575 30 20 BFED C[C@H]1CC(=NOC/C=C/Cl)C[C@@H](C)O1 834978718 IMPZYLCTQVPNFY-QNOPOGMHSA-N 217.696 2.699 30 20 BFED COc1cc2c(cc1C=NOC(C)C)O[C@@H](C)C2 835003838 ABLYCRIGAIRQIQ-JTQLQIEISA-N 249.310 2.778 30 20 BFED C#CCO[C@H](C)C(=O)O[C@@H]1CCC[C@H](CC)C1 835161759 AWWWBZIFIPTQEB-FRRDWIJNSA-N 238.327 2.537 30 20 BFED C=CCONC(=O)/C(F)=C\C1CCCCC1 837049717 OTGJSGBMXXSMEG-PKNBQFBNSA-N 227.279 2.654 30 20 BFED CC#CC(=O)N1CCC[C@@H]1c1ccc(F)cc1C 837101408 KXNXZNWZTODCQR-CQSZACIVSA-N 245.297 2.821 30 20 BFED CCc1ccc(OC(=O)C#CC2CC2)c(OC)c1 837504199 XJDOLACIYRYIRW-UHFFFAOYSA-N 244.290 2.576 30 20 BFED CC(C)(C)C#CC(=O)N1CC(C)(C)[C@H]1C1CC1 837660327 PEYJOKRPZQQFAQ-CYBMUJFWSA-N 233.355 2.683 30 20 BFED C#CC[C@@H](OC(=O)[C@H](C)C1CCC1)C1CC1 838812741 CRZQHLQAPHOMQJ-ZWNOBZJWSA-N 220.312 2.768 30 20 BFED C=CCCOC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 840604542 DUIHXXZOJUDWEL-UONOGXRCSA-N 241.290 2.781 30 20 BFED CCC(=NNc1nccnc1Cl)[C@H]1C[C@H]1C 841627008 VRKUBRMSTHJPCI-SFYZADRCSA-N 238.722 2.964 30 20 BFED CC1(C)CC(=NOC2CCCCC2)CO1 841634969 ZXZGTJISGLDMHV-UHFFFAOYSA-N 211.305 2.891 30 20 BFED CC(C)CON=Cc1ccnn1CC(C)C 842529396 YEBZNTDSWXFZOM-UHFFFAOYSA-N 223.320 2.546 30 20 BFED C=C(C)CONC(=O)C1C[C@@H](C)C[C@H](C)C1 846535468 AWPGQYOUAKUKBB-QWRGUYRKSA-N 225.332 2.683 30 20 BFED COc1cccc(/C=N/[C@H]2C=CCC2)c1O 849170540 QPAPGRLJTNBADA-LUHPIMIVSA-N 217.268 2.538 30 20 BFED CC#CCn1ccnc1[C@H](O)C1CCCCC1 849947407 KMOOQHJMLKLIJF-CYBMUJFWSA-N 232.327 2.520 30 20 BFED CCCCCCCCN(C)C[C@@H]1COCCO1 852494185 BYZZJGFQKDSNDA-CQSZACIVSA-N 243.391 2.694 30 20 BFED CCc1cnc(C=NN2CCCC[C@@H]2C)s1 853382332 XXWBGIHOMJPIER-JTQLQIEISA-N 237.372 2.914 30 20 BFED C#Cc1cccnc1NCCC(C)(C)F 853841703 VIVIGMXCWXNCED-UHFFFAOYSA-N 206.264 2.613 30 20 BFED Cc1ccc2c(c1)CN(C(=O)C#CC(C)C)CC2 855380152 FZSNGEMSKVVGEY-UHFFFAOYSA-N 241.334 2.539 30 20 BFED C=CCCNC(=O)/C=C(\C)c1cccc(OC)c1 855382300 RYDFESNRLWYYPH-ZRDIBKRKSA-N 245.322 2.791 30 20 BFED Clc1cnc(NN=CC2CCCC2)nc1 857223815 ZUPXFDKNDWTMKO-UHFFFAOYSA-N 224.695 2.718 30 20 BFED C#CCCOC(=O)NC[C@@H](CC)c1ccccc1 858881791 ICMRQFWQFSPNKB-CYBMUJFWSA-N 245.322 2.930 30 20 BFED C#CCCOC(=O)N[C@@H](CC)[C@@H]1CC1(C)C 859193117 OMYISGBPVWPLIE-QWRGUYRKSA-N 223.316 2.561 30 20 BFED C=CC[C@H](C)NCc1cc(F)ccc1N(C)C 865468991 HQUNKVVFIAAWPH-NSHDSACASA-N 236.334 2.946 30 20 BFED C#CCCCCCCN[C@@H](C)CN(C)C(C)C 877539117 IYLLVFNZBBYRSO-HNNXBMFYSA-N 238.419 2.888 30 20 BFED COc1cncc(NC2CCC(C)(C#N)CC2)c1 877664863 XAYWCAQBDATMMT-UHFFFAOYSA-N 245.326 2.975 30 20 BFED C=CC(C)(C)CC(=O)NCC1CC(C)C1 880802622 PZLNMVQLJHHRML-UHFFFAOYSA-N 209.333 2.751 30 20 BFED C=C1CCC(C(=O)OC[C@H]2CCCCO2)CC1 885651511 ARCCKCAILJUJOY-CYBMUJFWSA-N 238.327 2.845 30 20 BFED C=C(CC)CN1CCN(c2ccncc2)C[C@@H]1C 887134941 SUDPUTHOPANYEZ-AWEZNQCLSA-N 245.370 2.558 30 20 BFED COc1ccc2ccc(NCCCC#N)nc2c1 893128877 SWTHTOYNRWPNBB-UHFFFAOYSA-N 241.294 2.959 30 20 BFED C=CC1(OC(=O)[C@@H]2Cc3ccccc32)CC1 893363168 SWHNIDULURGJAG-GFCCVEGCSA-N 214.264 2.588 30 20 BFED C=CC1(OC(=O)C[C@@H]2CCO[C@H](CC)C2)CC1 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20 BFED CCCC[C@](C)(F)C(=O)N1CCC[C@@H](C#N)C1 928214393 MNVUJSZKMRHSIV-AAEUAGOBSA-N 240.322 2.667 30 20 BFED C=C[C@H](CC)CC(=O)NCC1(COC)CCC1 935829701 LYTWCHIVJOULIA-GFCCVEGCSA-N 239.359 2.522 30 20 BFED C=CCC[C@@H]1CCCN1c1cncc(C)n1 1120976955 ZGLJWESARUUJFR-GFCCVEGCSA-N 217.316 2.720 30 20 BFED C=CCC[C@H]1CCCN1C(=O)C(=C)CC 1124075136 IIGDXDZYNQDCRB-LBPRGKRZSA-N 207.317 2.910 30 20 BFED C=C[C@H](COC)NC(=O)[C@@H](CCCC)C(C)C 1261779065 YWVVSCZYGFHAHX-OLZOCXBDSA-N 241.375 2.766 30 20 BFED CN(CCC(F)(F)F)c1cccc(CC#N)n1 1320491953 ZFQKBYLFTWUWAE-UHFFFAOYSA-N 243.232 2.536 30 20 BFED N#Cc1ccc(-c2nnc(-c3ccco3)o2)cc1 1326393507 IBAGMTIPXGSDRU-UHFFFAOYSA-N 237.218 2.868 30 20 BFED N#CCOC(=O)[C@H]1CC[C@H](C2CCC2)CC1 1329527127 SJUBLVBRROSDQQ-HAQNSBGRSA-N 221.300 2.660 30 20 BFED CCC(C#N)(CC)C(=O)Nc1ccc(F)c(N)c1 1333307149 LAKOQIXRLZMTIH-UHFFFAOYSA-N 249.289 2.676 30 20 BFED C=C1CC(c2noc(Cc3cccnc3C)n2)C1 1333746350 WLEZUWDOXQJYRO-UHFFFAOYSA-N 241.294 2.797 30 20 BFED 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2.636 30 20 BFED CC[C@@H](C#N)C(=O)N[C@@H]1CCCCC1(C)C 94328705 SNSOBDBYGATFRM-WDEREUQCSA-N 222.332 2.621 30 20 BFED C=CC1CCN(CCOC(C)(C)C)CC1 111259407 RQUSATMUDQRFSL-UHFFFAOYSA-N 211.349 2.700 30 20 BFED C=CC[C@@H](C)NC(=O)c1cccc(F)c1 116852946 WVJGHBFAZSSRAT-SECBINFHSA-N 207.248 2.520 30 20 BFED C=C(C)CNC(=O)c1c(C)cc(C)cc1C 122935483 VNWJGLLFJQVJEQ-UHFFFAOYSA-N 217.312 2.918 30 20 BFED C=C[C@H](CC(=O)N[C@@H](C#N)CC)c1ccccc1 123657201 MYHXSNSSTDWWNY-TZMCWYRMSA-N 242.322 2.765 30 20 BFED C=CCC[C@H](C)NCc1ccnc(OC)c1 126747876 CEZFYIOCAMOZNE-NSHDSACASA-N 220.316 2.535 30 20 BFED C=CCC[C@H](C)N[C@@H]1CCN2CCCC[C@H]12 126762473 ULJXDPJEROFSLK-BFHYXJOUSA-N 222.376 2.558 30 20 BFED C=CCC[C@@H](C)NCC1CCN(CC)CC1 126822910 SYTOTSFXANDASC-CYBMUJFWSA-N 224.392 2.663 30 20 BFED N#Cc1cc(Sc2cccc(O)c2)ccn1 127049397 NIXMNMBYELEBQM-UHFFFAOYSA-N 228.276 2.810 30 20 BFED Cc1cc(C(=O)N[C@H](C#N)C2CCCCC2)co1 130322332 RTOUEOGHVHVCGH-CYBMUJFWSA-N 246.310 2.790 30 20 BFED Cc1c([C@H](C)NC(=O)CC#N)oc2ccccc12 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30 20 BFED CCCCCCCN1CC[C@@H](C)[C@H](CN)C1 164668719 NLAUCWSWXOTRPO-ZIAGYGMSSA-N 226.408 2.874 30 20 BFED COc1ccc(CN[C@@H](C)CC#N)cc1Cl 166514247 YHXFBXMKURAWLJ-VIFPVBQESA-N 238.718 2.740 30 20 BFED N#C[C@@H](OC(=O)c1ccc2c(c1)CCC2)C1CC1 176071632 TVXJTXXYTPPXLN-CQSZACIVSA-N 241.290 2.634 30 20 BFED C=CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1C 179245863 JRRFJHRRBPPLSX-FZMZJTMJSA-N 244.338 2.795 30 20 BFED CC[C@@H](NCC#N)c1cc(F)ccc1F 179771443 FFTCUXXJEJJOGN-LLVKDONJSA-N 210.227 2.529 30 20 BFED C#CCCCCC(=O)N(C)c1ccc(F)cc1 179791080 VDZZGWCPYQHQPU-UHFFFAOYSA-N 233.286 2.982 30 20 BFED C#CCCCCC(=O)NCCc1ccc(C)cc1 180183526 RYRVZZQIZAJQTA-UHFFFAOYSA-N 243.350 2.847 30 20 BFED CC[C@H](NCC#N)c1cccc(Cl)c1 182584499 DMXCSJSAYLBKMB-NSHDSACASA-N 208.692 2.904 30 20 BFED CCC(=O)CCCSc1cc(C#N)ccn1 183873840 OYLSLUKQGIZUHJ-UHFFFAOYSA-N 234.324 2.805 30 20 BFED C=CCN1CCO[C@@H](c2ccc(F)cc2F)C1 187247471 GDBSRCDGFDRRTQ-CYBMUJFWSA-N 239.265 2.524 30 20 BFED N#CCCN(CC[C@@H]1CCCO1)Cc1ccco1 189498686 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Cc1ccc(CCNCC2(C#N)CCC2)cc1 259004664 WTNGRYKXCBTEMI-UHFFFAOYSA-N 228.339 2.821 30 20 BFED CCN(CCC#N)C(=O)/C=C/c1cccs1 264024014 KLOLABJKVZDBCC-VOTSOKGWSA-N 234.324 2.523 30 20 BFED CN(C)c1ccc(CNCCCCC#N)cc1F 264998040 YVJATYOAFWORMJ-UHFFFAOYSA-N 249.333 2.675 30 20 BFED C=CCC[C@H](CC)NC[C@@](C)(O)c1ccco1 268932766 XTHSNOMPSBRWLW-GXTWGEPZSA-N 237.343 2.822 30 20 BFED CC[C@H](CC#N)Nc1nc(C)nc2c1CCCC2 273884325 RPYQGUUSLOXZKM-LLVKDONJSA-N 244.342 2.768 30 20 BFED C#CCN(C(=O)c1cc(C)ccc1C)C1CC1 273999325 DQVOIRFEJSZUOA-UHFFFAOYSA-N 227.307 2.541 30 20 BFED C=CCN(CCc1ccco1)CC[C@@H]1CCCO1 276207248 KEPRIXXBLWQEME-HNNXBMFYSA-N 249.354 2.879 30 20 BFED C#CCCCC(=O)OCc1ccc(F)cc1C 277558004 WHDLMCKMKRNVQN-UHFFFAOYSA-N 234.270 2.981 30 20 BFED C#C[C@H](C)N[C@@H]1CCC[C@@H]1c1ccccc1 289571630 SNBQORZKHCULIG-NWANDNLSSA-N 213.324 2.934 30 20 BFED CC[C@](C)(C#N)c1nc(-c2ccc(C)nc2)no1 289977266 DFGAOBPTERIBRN-CYBMUJFWSA-N 242.282 2.631 30 20 BFED CC[C@@H](CN[C@H](C)c1cccc(C#N)c1)OC 290030753 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20 BFED N#Cc1ccc(N[C@@H]2CC[C@@H](F)C2)cc1 308863413 CSVULYKRJYHNAM-ZYHUDNBSSA-N 204.248 2.861 30 20 BFED C=C(Cl)CNC1CCC2(CCCO2)CC1 308879697 PLXKOOLCKQXRDS-UHFFFAOYSA-N 229.751 2.820 30 20 BFED C=CC[C@@H](CO)CNCc1ccc(Cl)s1 308897659 AVRHRVOGIWOJRN-SECBINFHSA-N 245.775 2.676 30 20 BFED C=C[C@@H](COC)N[C@H](C)c1ccc(Cl)nc1 309442576 IXKZDIAHRYIKRO-KOLCDFICSA-N 240.734 2.587 30 20 BFED CC#CCCNC/C=C\c1ccc(F)cc1 309533288 CFYYFBCWCNOBIT-WAYWQWQTSA-N 217.287 2.842 30 20 BFED C#CCCNc1ccc(OCC(F)F)cc1 310037540 VFQFZVUMNHKIIO-UHFFFAOYSA-N 225.238 2.766 30 20 BFED CC[C@H]1CCCC[C@H]1Nc1cc(C#N)ncn1 310095595 UWBOYJKPTBGPFZ-CMPLNLGQSA-N 230.315 2.729 30 20 BFED Cc1ccncc1N=C(O)C1CCC(=O)CC1 329793107 ASFYMYGYRKMGMC-UHFFFAOYSA-N 232.283 2.737 30 20 BFED N#Cc1ccc(NC(=O)N[C@@H]2CC[C@@H](F)C2)cc1 334240384 OOLLKZADTLRCRR-ZYHUDNBSSA-N 247.273 2.570 30 20 BFED C[C@H]1CC[C@@H](C(=O)N(CC#N)c2ccccc2)C1 334360882 BEBGJAZXXOJCSW-QWHCGFSZSA-N 242.322 2.979 30 20 BFED N#Cc1ccc(SCc2cc[nH]c(=N)c2)cc1 334800135 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30 20 BFED C=CCCCC(=O)N[C@H](CO)CCC(C)(C)C 358446635 OQPOPLNNOWHJBI-LBPRGKRZSA-N 241.375 2.646 30 20 BFED C=CCN(CCC#N)C(=O)CCCC(F)(F)F 359435941 NVTOTKJDDYFVRE-UHFFFAOYSA-N 248.248 2.647 30 20 BFED C=CCCCC(=O)N[C@H](CC)C1CCOCC1 359500957 KYWILPYSZUSMEK-CYBMUJFWSA-N 239.359 2.664 30 20 BFED C[C@@H](C(=O)NCC(C)(C)C#N)c1ccsc1 359649343 LZPQYBFNASUTRQ-SECBINFHSA-N 236.340 2.518 30 20 BFED CCN(CC1CCC1)C[C@H](C#N)CCC#N 361488166 YLORRCICFVLTCJ-ZDUSSCGKSA-N 219.332 2.552 30 20 BFED CCC[C@@H](C)N(C)C(=O)c1ccc(C#N)s1 362928854 XESSYLMGMGMJPJ-SECBINFHSA-N 236.340 2.880 30 20 BFED C#CCCCCC(=O)N1CC2CCC1CC2 367359371 WPKKITWPOLVDSG-UHFFFAOYSA-N 219.328 2.581 30 20 BFED C=C[C@H](COC)N[C@@H](C)c1ccc(CC)o1 381733812 NXJVTBIUFMKVHM-WDEREUQCSA-N 223.316 2.694 30 20 BFED C#C[C@@](C)(CC)NCCc1ccc2c(c1)CCO2 384191231 HEIBCYYSNRYCDU-INIZCTEOSA-N 243.350 2.556 30 20 BFED C=C(C)CCNc1nc(C)ccc1[N+](=O)[O-] 386685169 JCEYYMGUYFQSSR-UHFFFAOYSA-N 221.260 2.676 30 20 BFED C[C@@H](NCc1cc(C#N)cs1)C(C)(F)F 389452282 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232.327 2.839 30 20 BFED C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCC12CCC2 453373755 WSZYDWRMVGPNQH-FRRDWIJNSA-N 221.344 2.642 30 20 BFED C=CCCN(C)C(=O)Nc1cccc(CC#N)c1 455902352 GTNGVVHBQWHDDY-UHFFFAOYSA-N 243.310 2.792 30 20 BFED C=CCC1(CNC(=O)CCOCC)CCCC1 456490854 YQSSSRFDWJLGJO-UHFFFAOYSA-N 239.359 2.666 30 20 BFED C=C(CC)CNC(=O)C1(c2ccccc2F)CC1 456814828 VTUSVOAOSXBHJJ-UHFFFAOYSA-N 247.313 2.940 30 20 BFED C=C(CC)CNC(=O)[C@@H](C)OCCC(C)C 456831215 SWXHQDBOWWMNPV-GFCCVEGCSA-N 227.348 2.520 30 20 BFED C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1C[C@H]1CC 459000651 ZSUQNVQZAUECRG-FRRDWIJNSA-N 236.359 2.783 30 20 BFED C=CCn1cccc1C(=O)N(C)[C@H](C)C1CC1 488467696 WWLVHOJEECELII-LLVKDONJSA-N 232.327 2.545 30 20 BFED C=C[C@@H]1CCCCN1Cc1noc(C(C)C)n1 489440148 RVRRZIHWHMUTRW-LLVKDONJSA-N 235.331 2.734 30 20 BFED C#CC(C)(C)NC(=O)CCc1ccccc1Cl 490670051 JNGKOLOGNOGADF-UHFFFAOYSA-N 249.741 2.801 30 20 BFED C#CCN(CC)C(=O)NCC1(CC)CCCC1 490829392 ATVJQLRSXBZNLO-UHFFFAOYSA-N 236.359 2.622 30 20 BFED C#CCN(CC#N)Cc1ccc(C)cc1Cl 491253186 MGIRRIWRPVQBLM-UHFFFAOYSA-N 232.714 2.607 30 20 BFED C#C[C@H](C)N(C)C(=O)/C=C/c1ccc(Cl)cc1 491408177 UFGUOWCZOBDEIW-HUYFXPKMSA-N 247.725 2.833 30 20 BFED C#C[C@H](C)N(C)C(=O)N[C@@H](CC)C1CCCC1 491665807 VFFWJIBXZSFTTG-AAEUAGOBSA-N 236.359 2.618 30 20 BFED CCC[C@H]1CCCN(C(=O)C2(C#N)CC(C)C2)C1 531756089 CENCRWLBIXTNRG-OWYJLGKBSA-N 248.370 2.965 30 20 BFED CCc1ccc(NC(=O)NC[C@H](C)C#N)cc1C 536722998 XURFYFLIAKXNOZ-SNVBAGLBSA-N 245.326 2.839 30 20 BFED C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1cccc(C#N)c1 558261163 YFVOMRQCSJOFOR-ZHAHWJHGSA-N 236.265 2.862 30 20 BFED CCc1nocc1COc1cccc(C#N)c1 567435202 KTZPJRPVNCNKMB-UHFFFAOYSA-N 228.251 2.688 30 20 BFED C=CCCCCN(C)CCc1ccccn1 567558607 AXHYLXWONIIKAR-UHFFFAOYSA-N 218.344 2.912 30 20 BFED N#C[C@]1(C(=O)N[C@@H]2C=CCCC2)CC12CCCC2 569069671 AOKJHAJNXOEMDF-DOMZBBRYSA-N 244.338 2.685 30 20 BFED N#Cc1ccc(NC(=O)N2CCC[C@@H](F)C2)cc1 584723407 ITKQZTBKMBLWFG-LLVKDONJSA-N 247.273 2.524 30 20 BFED CCC[C@H](C)NC(=O)CCCCCC#N 588151898 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244.338 2.917 30 20 BFED CCOC[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 618805439 OFHCXUUMJMLTTM-XHDPSFHLSA-N 244.338 2.560 30 20 BFED C=CCC[C@@H](C)NCc1cccnc1C 624164070 XEANLJJNSRMGRA-LLVKDONJSA-N 204.317 2.834 30 20 BFED C=C(CC)Cn1cnc(Cc2ccccc2)n1 664110347 UPUDRTPVXRSWHS-UHFFFAOYSA-N 227.311 2.835 30 20 BFED C=CC[C@@H](C)NC(=O)c1c(F)cc(C)cc1F 668854299 DUKIYGMZBFLHKA-SECBINFHSA-N 239.265 2.968 30 20 BFED COCC#CCN(C)c1cccc(C(C)C)c1 677478283 SXKTWCWNPQOQEC-UHFFFAOYSA-N 231.339 2.896 30 20 BFED C=CCC(C)(C)CN[C@H](C)c1cn(C)cn1 710019954 ZLCMJTWGHPHFJX-LLVKDONJSA-N 221.348 2.673 30 20 BFED C=C(C)CN(C)c1cccc(Br)n1 720127855 IEXQCMLGGXVLTD-UHFFFAOYSA-N 241.132 2.856 30 20 BFED CC[C@@H]1C[C@H]1COc1ccc(C#N)cc1OC 723130623 ILCWYQHRDHUTHB-NEPJUHHUSA-N 231.295 2.992 30 20 BFED C#Cc1cccc(NC(=S)NC2CCCC2)c1 726436454 UAQXHCVTVYLXPL-UHFFFAOYSA-N 244.363 2.897 30 20 BFED CCCC[C@H]1CCCC1=NN1CCN(C)CC1 727251818 HSFAFKBGWMXTSB-ZDUSSCGKSA-N 237.391 2.580 30 20 BFED C=C(C)CCOC(=O)c1[nH]c(C)c(C(C)=O)c1C 744302858 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CC(=NNc1nccnc1C(C)C)c1ccc[nH]1 773079428 ZLYFCSOANZBIPN-UHFFFAOYSA-N 243.314 2.764 30 20 BFED CC1(C)CCCC[C@H]1NN=C1CCC(O)CC1 773124627 KJIGJTQKOTUQDG-ZGTCLIOFSA-N 238.375 2.836 30 20 BFED C[C@H]1CC[C@@H](C(=O)OCCCCC#N)C1 776413960 DVBLFNYTQKPBFO-WDEREUQCSA-N 209.289 2.660 30 20 BFED CCc1ccc(C(C)=NN[C@@H](C)COC)cc1 777893533 SNWHJTKMEQZEKX-NSHDSACASA-N 234.343 2.598 30 20 BFED C#CCOc1ccccc1NC(=O)[C@H](F)C(C)C 784530419 MTNIDLMLIVXWLH-CYBMUJFWSA-N 249.285 2.631 30 20 BFED C=C[C@](C)(CC)C(=O)O[C@@H](C)CCOC 784876777 ZYHUCTXLQRBWBC-CMPLNLGQSA-N 214.305 2.557 30 20 BFED C=C[C@@](C)(CC)C(=O)Nc1ccnn1CC1CC1 785414437 BKFAGGVXILGWEP-AWEZNQCLSA-N 247.342 2.834 30 20 BFED CC[C@@H](C#N)OC(=O)[C@@H](CC)OC1CCCC1 785940321 INDSGSVRPREOLG-CMPLNLGQSA-N 239.315 2.570 30 20 BFED C#CCNC(=O)NC1CCC2(CCCCC2)CC1 786682936 MXJXASPTOIEUBQ-UHFFFAOYSA-N 248.370 2.812 30 20 BFED CCCCCC(C)(C)C(=O)NCCC#N 787629726 DHMBTABQOLGTCC-UHFFFAOYSA-N 210.321 2.623 30 20 BFED C#Cc1ccc(CN2CCC[C@@H](OCC)C2)cc1 787769514 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C=C(C)C(C)(C)C(=O)NCCNc1ccccc1 819303227 ZJLIUVGXMDQJMJ-UHFFFAOYSA-N 246.354 2.817 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H]1CCC(C)(C)C1 820718272 GAQZOIRPQGOAPG-UTUOFQBUSA-N 238.327 2.699 30 20 BFED O=C(C#CC1CC1)OCC[C@@H]1CC1(Cl)Cl 820737141 WVACVOWAGQDDHD-SECBINFHSA-N 247.121 2.527 30 20 BFED CC/C=C\CNC(=O)c1cc(C#N)ccc1C 821307431 GBSUJDOZCLEOKW-PLNGDYQASA-N 228.295 2.563 30 20 BFED C=CCN(C)Cc1cc(Cl)c(C)cc1O 825563345 VSUUSPKONHASEV-UHFFFAOYSA-N 225.719 2.972 30 20 BFED C=CCN(C/C=C(/C)C(=O)O)Cc1ccccc1 825682259 VORFXODQSCLWDK-LCYFTJDESA-N 245.322 2.706 30 20 BFED Cc1ccc(C)c(C(=O)/C=C/c2cnn(C)c2)c1 834756781 WITHGTBYULDFMF-VOTSOKGWSA-N 240.306 2.933 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(C)cc1O 834888126 KPRJJIPFKUFQTF-LNSITVRQSA-N 247.338 2.695 30 20 BFED CC(=NN[C@@H](C)C(F)(F)F)c1cncc(C)c1 834998290 SJQSWKJQNBHQRX-VIFPVBQESA-N 245.248 2.654 30 20 BFED CCc1cccc(C(=O)O[C@@H](C#N)C(C)(C)C)n1 835291746 QIYCZNHTBODLQE-LBPRGKRZSA-N 246.310 2.739 30 20 BFED C#CCSCCOC(=O)C(F)=C1CCCC1 835437174 SLFLOLFYRRDWQW-UHFFFAOYSA-N 242.315 2.694 30 20 BFED C=CCCO[C@H](C)C(=O)OCC[C@@H](C)SC 835663116 HJLXZOSJGKZCIQ-GHMZBOCLSA-N 246.372 2.652 30 20 BFED CC(C)(C)C#CC(=O)Nc1nc2ccccc2[nH]1 837319350 FYFIZUBCKAJLEN-UHFFFAOYSA-N 241.294 2.551 30 20 BFED C#CCCCC(=O)O[C@@H](C(C)=O)c1ccccc1 837669313 CGOUNSXGYQNTCO-HNNXBMFYSA-N 244.290 2.663 30 20 BFED N#C[C@@H]1CCC[C@@H](OC(=O)/C=C/c2ccco2)C1 839045152 XZLYPRJXFYHDSR-BKVNPXPRSA-N 245.278 2.918 30 20 BFED C#CCCCNCc1ccc(N(C)C)cc1C 840935360 NDLYEWUXGZYSNV-UHFFFAOYSA-N 230.355 2.564 30 20 BFED C#C[C@H](OC(=O)CO[C@H](C)CC)c1ccccc1 842366078 XLYWMUYDUQOMOP-OCCSQVGLSA-N 246.306 2.719 30 20 BFED C=C(C)CON=C1CCN(C(C)(C)C)CC1 844616987 IUQFKMOFSNONOA-UHFFFAOYSA-N 224.348 2.829 30 20 BFED C=CCc1ccccc1OC(=O)/C=C(\C)COC 845439501 IRMKRAASFNSZLG-ZRDIBKRKSA-N 246.306 2.913 30 20 BFED C=C[C@H](C)ONC(=O)N(C)[C@@H]1CCCC[C@H]1C 845632610 CXQKYQCAEAUTHT-GRYCIOLGSA-N 240.347 2.713 30 20 BFED C=C[C@H](C)ONC(=O)N(CC)CC(CC)CC 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20 BFED CC[C@H](C#N)OC(=O)c1ccc2scnc2c1 910201092 IINDYLBPBJXUOZ-SECBINFHSA-N 246.291 2.755 30 20 BFED C[Si](C)(C)C#CCCNC(=O)CCC1CC1 912332142 HFXLUCDNWJXCFQ-UHFFFAOYSA-N 237.419 2.564 30 20 BFED C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](C#N)C2)C1 914199312 GEKFVALFMAMUPZ-UPJWGTAASA-N 249.358 2.510 30 20 BFED C=C(Cl)COC(=O)c1ccccc1F 916610160 ZXOIVBIBZBWAQC-UHFFFAOYSA-N 214.623 2.735 30 20 BFED CO[C@H](CN[C@H](C)CC(C)(C)C#N)C(C)(C)C 925187661 DWXQZBZUQWIEQY-VXGBXAGGSA-N 240.391 2.965 30 20 BFED C=CCC(C)(C)C(=O)OCCc1ccncc1 1123384367 GUJWGUVVOVSIRD-UHFFFAOYSA-N 233.311 2.770 30 20 BFED C=CCN(C(=O)c1ccc(Cl)[nH]1)C(C)C 1123554612 SOXNHRFAHGAVQX-UHFFFAOYSA-N 226.707 2.705 30 20 BFED C=C(CC)C(=O)N1C[C@@H](C)CC(C)(C)C1 1123686651 PBCFIQPIQLTCRP-JTQLQIEISA-N 209.333 2.847 30 20 BFED C=C(CC)C(=O)N1C[C@H](CC)CC[C@H]1C 1166944546 IDTWTCCROLHVGS-VXGBXAGGSA-N 209.333 2.990 30 20 BFED Cc1cc2cc(Nc3cncc(C#N)n3)ccc2[nH]1 1213786909 JOCSEEBHACQIQU-UHFFFAOYSA-N 249.277 2.882 30 20 BFED Cc1cccnc1NN=Cc1cccn1C1CC1 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2.620 30 20 BFED CC#CCOC(=O)C[C@H](C)c1cccc(OC)c1 176250929 MPCJYTPHNDOSQN-LBPRGKRZSA-N 246.306 2.755 30 20 BFED CC(=O)CSCCCOc1ccc(C#N)cc1 176746694 GIENNCFNFDSQSF-UHFFFAOYSA-N 249.335 2.649 30 20 BFED C=CC1CCN(C(=O)c2cc(C#N)cs2)CC1 177059000 KCKOVIPHDOKGFE-UHFFFAOYSA-N 246.335 2.658 30 20 BFED C[C@H]1C[C@H](C)CN(C(=O)c2cc(C#N)cs2)C1 177390798 IOHVXUOLILNXDB-UWVGGRQHSA-N 248.351 2.738 30 20 BFED C#CCCCN[C@H](C)c1ccccc1N(C)C 179414732 DHNALINIYFGSJV-CYBMUJFWSA-N 230.355 2.817 30 20 BFED C=CC1CCN(Cc2cc(OC)ccc2O)CC1 180207547 FXLAKCKOQWFGJP-UHFFFAOYSA-N 247.338 2.799 30 20 BFED C#CCCCCC(=O)Nc1cccc(O)c1F 180517793 WWSZEDKVFXDXPP-UHFFFAOYSA-N 235.258 2.663 30 20 BFED C[C@H](C#N)CNC(=O)C1(C)CCCCCC1 181984872 ZNAVBCSPZITIMK-LLVKDONJSA-N 222.332 2.623 30 20 BFED C#CCC(C)(C)C(=O)N[C@H]1CCCc2occc21 185051650 BUNMVCGITZVGPY-LBPRGKRZSA-N 245.322 2.823 30 20 BFED O=C(/C=C/c1ccc(F)nc1)c1ccccc1O 186418322 DVRUMNLCDZWCTC-FNORWQNLSA-N 243.237 2.822 30 20 BFED C#CCCCN[C@@H](c1ccccc1)c1ncc[nH]1 188087157 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236.340 2.687 30 20 BFED CC#CCCSc1nnc(C(C)(C)C)o1 155275496 VZWFLUPNKHXIQK-UHFFFAOYSA-N 224.329 2.873 30 20 BFED Cc1ccc(C#N)c(NC[C@@]2(C)CCCS2)n1 158082141 QIFXYEZIOHEVMZ-CYBMUJFWSA-N 247.367 2.959 30 20 BFED Cc1ccc(C#N)c(N[C@@H]2CCCSC2)n1 160838449 PSRINSDKVINLTK-LLVKDONJSA-N 233.340 2.569 30 20 BFED C=C(C)COCCN[C@H](C)CC1CCC1 161877352 YTJLZQSVRUCWTN-GFCCVEGCSA-N 211.349 2.747 30 20 BFED Cc1cccc(C(=O)N(C)[C@H](C)C#N)c1Cl 162883841 PIJYJJYJKQFHOK-SECBINFHSA-N 236.702 2.633 30 20 BFED C#CCCCNC(=O)Nc1ccc(C)c(C)c1 174167824 OBEBPYVWEHAFFR-UHFFFAOYSA-N 230.311 2.838 30 20 BFED C=CCCC[C@H](C)NC(=O)C1[C@H]2CCC[C@H]12 179786353 ZOUXSOBBLMMEOI-SRVKXCTJSA-N 221.344 2.894 30 20 BFED N#Cc1cc(-c2nc(-c3cccs3)no2)c[nH]1 179935313 RHHLWSBJJLJMSY-UHFFFAOYSA-N 242.263 2.665 30 20 BFED C/C(=C\c1cccc(C#N)c1)c1cnccn1 180381695 YAEZZZHMMJRQPJ-YRNVUSSQSA-N 221.263 2.909 30 20 BFED CC[C@@H](CC#N)Nc1cc(C)nc(C2CC2)n1 184153132 TZONBDJXAMTPHF-NSHDSACASA-N 230.315 2.767 30 20 BFED C=CCOC(=O)CO[C@H]1CCCC[C@H]1CC 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249.354 2.673 30 20 BFED C=Cc1ccc(CC/N=C(\N)N(CC)CC)cc1 290966397 OBXSSRCBDYNHHT-UHFFFAOYSA-N 245.370 2.529 30 20 BFED Cc1nc(N(C)Cc2ccoc2C)ccc1C#N 291613445 JTDXGTCSVBVDAG-UHFFFAOYSA-N 241.294 2.800 30 20 BFED C=C(C)CN(CC)C(=O)NOC[C@@H](C)CC 291697711 FABCUOUSEOFFLB-NSHDSACASA-N 228.336 2.572 30 20 BFED Cc1nc(N2CCS[C@H](C)CC2)ccc1C#N 291883922 JBBLDWXLPRTSQF-SNVBAGLBSA-N 247.367 2.594 30 20 BFED C=CCN(CCC#N)Cc1csc(CC)n1 292102516 GMGMHRDVKRTZOM-UHFFFAOYSA-N 235.356 2.607 30 20 BFED CCOC1(CNc2ccnc(C#N)c2)CCCC1 292758697 KCMNXCKKHMVEPQ-UHFFFAOYSA-N 245.326 2.714 30 20 BFED C=CC(C)(C)C(=O)Nc1ccc(OC)c(OC)c1 294291997 IBSGFKBGNHQSCJ-UHFFFAOYSA-N 249.310 2.855 30 20 BFED N#Cc1csc(C(=O)NCC2=CCCCC2)c1 295865970 UJCNRRWPYBMGNF-UHFFFAOYSA-N 246.335 2.850 30 20 BFED C#CCCCCN[C@@H]1CCc2cccc(O)c21 297147832 ZUTIRPZYZCWHQB-CYBMUJFWSA-N 229.323 2.773 30 20 BFED C[C@@H]1CCCN(c2c(C#N)cccc2C#N)C1 302482550 WWRZUAOBYQNXSI-LLVKDONJSA-N 225.295 2.666 30 20 BFED C[C@H]1CC[C@@H](Nc2nc3ccccn3c2C#N)C1 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C=C(CC)CNC[C@H](C)CC1CCOCC1 449733116 GJKCYQBEEVWNLT-CYBMUJFWSA-N 225.376 2.995 30 20 BFED C=CCCCC[C@H](C)NC[C@@H](O)C1CCC1 449741857 WOMPZZKAMGEFAU-GXTWGEPZSA-N 225.376 2.872 30 20 BFED C=C(C)CCNC(=O)CCSCCCC 452714802 ADJWJMMAMODRGI-UHFFFAOYSA-N 229.389 2.992 30 20 BFED CCCc1ccc(CN(CC#N)CCOC)cc1 453595900 IIBHOFVMWZFGCL-UHFFFAOYSA-N 246.354 2.611 30 20 BFED C=CCNC(=O)N1CCC[C@@H](C(C)(C)C)C1 473975805 HKOGZUAOQLVCEB-LLVKDONJSA-N 224.348 2.640 30 20 BFED C#C[C@@H](C)N(C)C(=S)N[C@@H](C)c1ccccc1 491285904 GGNVCMTXMRUWQS-NEPJUHHUSA-N 246.379 2.576 30 20 BFED CCCON=C[C@@H](C)CNC(=O)OC(C)(C)C 496292933 JIRXWDDRNHSZSY-JTQLQIEISA-N 244.335 2.560 30 20 BFED C=CC[C@H](CO)CNC[C@@H]1CCCC(C)(C)C1 539226112 RLOSFNJKFKBELI-KGLIPLIRSA-N 239.403 2.977 30 20 BFED C=CCC[C@H](C)N[C@@H]1CCc2nc(C)ncc2C1 544583780 ZUXPPYDZDBDSSH-SMDDNHRTSA-N 245.370 2.587 30 20 BFED C=C(C)C[C@@H](C)C(=O)NC1(CF)CCC1 577874957 IIBZUBUETBTOOA-SNVBAGLBSA-N 213.296 2.597 30 20 BFED C[C@H]1C[C@@H](C)N(C(=O)CCCCCC#N)C1 588379982 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2.960 30 20 BFED CC#CCCCC(=O)N(C)Cc1ccsc1 680991939 ANGDKBYIQMLRAB-UHFFFAOYSA-N 235.352 2.900 30 20 BFED C=CCN(CC=C)C(=O)c1nc(C)c(C)s1 683556590 IAVPPJLYSRRZDE-UHFFFAOYSA-N 236.340 2.574 30 20 BFED C[C@@H](CC(C)(C)C#N)NC/C=C\C1CC1 695834077 AYGDBRGPFYZUHQ-WYGGZMRJSA-N 206.333 2.871 30 20 BFED N#CC1(C(=O)N[C@H]2CCCC3(CC3)C2)CCC1 696169793 SFFMJFOFLGQFRC-NSHDSACASA-N 232.327 2.519 30 20 BFED C=C(C)CN(CC)C(=O)c1cc(C)co1 718472219 FPISXCFQHQJXMD-UHFFFAOYSA-N 207.273 2.626 30 20 BFED C=CCOCC(=O)Oc1ccccc1C(C)C 729647747 DAMVZYPSXNZOOR-UHFFFAOYSA-N 234.295 2.918 30 20 BFED CC(=NN=CC1CCCCC1)c1cnccn1 745206494 GQIVVVXRIFURQU-UHFFFAOYSA-N 230.315 2.852 30 20 BFED CCN(CC#N)C(=O)CCCCCC(C)C 747877104 NBUKUXFGFHGGBQ-UHFFFAOYSA-N 224.348 2.965 30 20 BFED CC(C)CON=Cc1cnn(-c2ccccc2)c1 749636478 LRQCPIFHCRKNJI-UHFFFAOYSA-N 243.310 2.879 30 20 BFED C=CCCC(CC)=NNc1nccc(OC)n1 750936994 FICPAZAZWGJJOL-UHFFFAOYSA-N 234.303 2.629 30 20 BFED C#CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 753897187 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CCOCCON=C(C)Cc1cccc(F)c1 774416842 HJCYGVUNRXTKOJ-UHFFFAOYSA-N 239.290 2.797 30 20 BFED C[C@H](C(=O)OCc1cccc(C#N)c1F)C1CC1 774962273 LYOSMDNTZZIMHU-VIFPVBQESA-N 247.269 2.787 30 20 BFED CCCC(CC)=NNc1ccc(C)nn1 776186852 VQGLONCVBYYRJC-UHFFFAOYSA-N 206.293 2.763 30 20 BFED N#Cc1cccc(C=NOCCC(F)(F)F)c1 777463028 WUKIGPUXPKFDBO-UHFFFAOYSA-N 242.200 2.861 30 20 BFED Cc1ccc2[nH]cc(C(=O)O[C@@H](C)C#N)c2c1 780247954 QXQGXQFUNMGUMP-VIFPVBQESA-N 228.251 2.545 30 20 BFED C[C@@H]1C(=NN=c2cc[nH]cc2)CCC[C@H]1C 781125167 UCXCRUQBVLDEOD-MNOVXSKESA-N 217.316 2.728 30 20 BFED Fc1cc(NN=C2CC3(CCC3)C2)ccn1 781134157 UFHUQZFHPNZMFH-UHFFFAOYSA-N 219.263 2.953 30 20 BFED CO[C@@H](C(C)=NNCC(C)C)c1ccccc1 782266070 FUWGUHGVDZKHHB-AWEZNQCLSA-N 234.343 2.996 30 20 BFED C=CCCC(=O)COC(=O)[C@@](C)(C=C)CC 785759799 QMMRXVMTBXUSAO-ZDUSSCGKSA-N 224.300 2.667 30 20 BFED C#C[C@H](NC[C@@H]1C(C)=CCC[C@H]1C)[C@H]1CCCO1 785979568 QBRHZGDKKYHFQL-LVQVYYBASA-N 247.382 2.749 30 20 BFED CC[C@H](C)NN=C(C)c1ccc2c(c1)COC2 790187241 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20 BFED CSCCCC=NNc1cccc(F)n1 814927682 ADRSPXDCUKZRPC-UHFFFAOYSA-N 227.308 2.762 30 20 BFED C[C@H](O)CNN=C(CC1CCC1)c1ccccc1 814962148 CSSXBFFSNONLOM-LBPRGKRZSA-N 246.354 2.551 30 20 BFED CC(C)C[C@H]1CCCC(=NNC[C@H](C)O)C1 814962904 XMYDUYLNEQSQFU-NWDGAFQWSA-N 226.364 2.549 30 20 BFED C=CCOCCN1C[C@@H](C)Oc2cc(C)ccc21 815057019 LLEOTDZQFJZWJV-CYBMUJFWSA-N 247.338 2.785 30 20 BFED CCCCSCC(=O)N(C)CC(C)(C)C#N 817611567 QONHKCBJICIXNI-UHFFFAOYSA-N 242.388 2.528 30 20 BFED C=C(C)C(C)(C)C(=O)NOC1CCCC1 819463445 QUHSCLDYIKKKGH-UHFFFAOYSA-N 211.305 2.579 30 20 BFED CCC1(NC(=O)c2cc(C#N)ccc2C)CC1 821106222 YGTGZTGEHSUHDV-UHFFFAOYSA-N 228.295 2.539 30 20 BFED C=C(CC)CNC(=O)c1cc(C)cc(Cl)n1 822012978 TXRGPOUYRTYABB-UHFFFAOYSA-N 238.718 2.739 30 20 BFED CCCCCCNC(=O)N[C@@H]1CC[C@H](C#N)C1 822587942 KLKDIASMBRIVGZ-NWDGAFQWSA-N 237.347 2.558 30 20 BFED CCCCC[C@@H](/N=C/c1ccccc1O)C(=O)O 829311831 MODUJTRWAWLTJC-JXCQQFQQSA-N 249.310 2.845 30 20 BFED CC(=NNCC(C)(C)CO)[C@@H]1CCCC[C@H]1C 834975490 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2.585 30 20 BFED C=C[C@@H](CC)CC(=O)OCc1cncc(OC)c1 905632013 FGOACRURRQLASU-NSHDSACASA-N 249.310 2.736 30 20 BFED C=CCN(CCOC)[C@H]1C[C@@H]1c1cccc(F)c1 906586912 KPPWNCKPUMSOJH-CABCVRRESA-N 249.329 2.816 30 20 BFED C/C(Cl)=C/C(=O)N1CCCC(C)(C)[C@H]1C#N 907762691 MMMUFWYSZLYUNW-UJICNMFASA-N 240.734 2.670 30 20 BFED C=CC(C)(C)C(=O)Nc1cc(F)cc(F)c1O 910987087 JOIOKFRXWSGJAI-UHFFFAOYSA-N 241.237 2.821 30 20 BFED CC[C@@H](C)N(C)C(=O)/C=C/c1ccccc1C#N 914529451 JMUDIWOAPCZLTD-BZYZDCJZSA-N 242.322 2.828 30 20 BFED C=CC[C@H](N[C@H]1COC[C@H]1CC)c1ccncc1 925075840 RNTSDWJUKWLHJW-SNPRPXQTSA-N 246.354 2.713 30 20 BFED CC[C@H](C)N(Cc1ccccc1)C[C@H](O)CC#N 929222819 LVSPTLTVCBYEHT-DZGCQCFKSA-N 246.354 2.562 30 20 BFED CCN(CCC#N)Cc1coc(C(C)(C)C)n1 929773785 CNGICOQPCHZVGE-UHFFFAOYSA-N 235.331 2.708 30 20 BFED N#C[C@H]1CCCN(C[C@@H]2CCc3ccccc32)C1 932154668 XPSRAVPMTJNJOA-HIFRSBDPSA-N 240.350 2.952 30 20 BFED CC[C@H](C)[C@@H](C)C(=O)N(CC)[C@H](C#N)CC 1262813333 VERMDXAOBTYOED-TUAOUCFPSA-N 224.348 2.819 30 20 BFED C=C(C)CCC(=O)N1C[C@H]2CCCC[C@H]21 1300336088 VREGWXQJKXKYKO-VXGBXAGGSA-N 207.317 2.744 30 20 BFED C=CC[C@H](CC)NC(=O)c1cnoc1C1CC1 1321153746 IGDKMHZFUTYCOQ-JTQLQIEISA-N 234.299 2.637 30 20 BFED C=C(C)CCNC(=O)c1cccc(Cl)c1O 1324573711 AWJGZHRFIZZDLU-UHFFFAOYSA-N 239.702 2.742 30 20 BFED Cc1nc(NCc2ccc(C#N)cn2)sc1C 1327077580 NHHMGHXGWHQELQ-UHFFFAOYSA-N 244.323 2.639 30 20 BFED c1cnc2c(c1)CCC2=NOCC1CCC1 1331977055 SPPDHXWBVWJBTB-UHFFFAOYSA-N 216.284 2.549 30 20 BFED C=C(C)CCC(=O)N1CC[C@H](C)[C@@H]1CC 1335899936 VCXULECEQZRUKT-RYUDHWBXSA-N 209.333 2.990 30 20 BFED C=C1CCN(c2ccnc3cc(F)cnc23)CC1 1337772493 XAQSBYFSGPOPOR-UHFFFAOYSA-N 243.285 2.925 30 20 BFED C=CC[C@H](C)NCc1ccc(C(=O)O)cc1F 1602837178 HTJLDTCSJBIRNH-VIFPVBQESA-N 237.274 2.578 30 20 BFED N#CCCSCc1ccc(F)cc1C(=O)O 1608184839 YKAJURKPQMLKJS-UHFFFAOYSA-N 239.271 2.671 30 20 BFED C=CC[C@]1(C(=O)O)CCN(CC2CC3(CC3)C2)C1 1776158436 QKQFJZGIRKFCCT-HNNXBMFYSA-N 249.354 2.529 30 20 BFED C=CCC[C@@H](NCc1ccc(C=C)cc1)C(=O)O 1776166852 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CCC[C@H](C)NC(=O)NCC#Cc1ccccc1 75687761 NEXPZLHWTDEKPV-ZDUSSCGKSA-N 244.338 2.526 30 20 BFED C#CCNc1ccc(Br)c(F)c1 83826242 IJZTYSFUUMWHFF-UHFFFAOYSA-N 228.064 2.633 30 20 BFED C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)cs1 84060063 AUKXVMGIIIORKP-KOLCDFICSA-N 248.351 2.928 30 20 BFED N#Cc1cc2c(nc1NCCC1CC1)CCC2 88457685 WLVPUZPBPXLSLP-UHFFFAOYSA-N 227.311 2.654 30 20 BFED CCC(CC)N(CC(C)C)C(=O)[C@H](C)C#N 93325491 XHLDYUBNTUNEHE-LLVKDONJSA-N 224.348 2.819 30 20 BFED CC(C)(C)CN(CCC#N)CCCC#N 109812991 BSHALJPOVXGFGT-UHFFFAOYSA-N 207.321 2.552 30 20 BFED C=CCN(Cc1ncc[nH]1)Cc1cccs1 109826560 BJTMOCDDFQYCQA-UHFFFAOYSA-N 233.340 2.659 30 20 BFED C=CC1CCN(C(=O)c2cc(C(C)C)[nH]n2)CC1 110968848 NEHWTQQMGNLNTR-UHFFFAOYSA-N 247.342 2.571 30 20 BFED C=CC[C@H](C)NC(=O)Nc1ccc(C#N)cc1 116931790 HYKKROORXGNEJX-JTQLQIEISA-N 229.283 2.644 30 20 BFED CC[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCO1 118392490 GZGYCDYGHLTUGR-SWLSCSKDSA-N 244.338 2.730 30 20 BFED C=CC[C@H](C)NC(=O)[C@H]1CCC[C@H](C)C1 121345964 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C[C@H]1CC[C@H](C)N1c1ncc(C#N)cc1Cl 161435489 QIAGQFJMXXRYTR-IUCAKERBSA-N 235.718 2.984 30 20 BFED Cn1ccnc1COc1cc(Cl)ccc1C#N 161664819 UOEIAMFZAPZEEH-UHFFFAOYSA-N 247.685 2.524 30 20 BFED C[C@H](Nc1ccc(CC#N)cc1)[C@H]1CCOC1 163924494 RMRSQHNDQYXLFU-AAEUAGOBSA-N 230.311 2.590 30 20 BFED C=CCO/N=C(/N)c1cccc(C(F)(F)F)c1 165324930 IZIVVOPNDXGWRC-UHFFFAOYSA-N 244.216 2.528 30 20 BFED C=C(Cl)CNCc1cnc(C2CC2)s1 166096975 KZWUDMKGLZOQKC-UHFFFAOYSA-N 228.748 2.863 30 20 BFED C=C(C)CCNCc1cccc([N+](=O)[O-])c1 168983104 NFRWASFMPUHITM-UHFFFAOYSA-N 220.272 2.651 30 20 BFED CCN(CCC#N)C(=O)CS[C@@H](C)C(C)C 172970427 JQIZROKFZRFYMJ-NSHDSACASA-N 242.388 2.526 30 20 BFED N#C[C@H](OC(=O)c1cc2ccccc2o1)C1CC1 176059507 NWEFIQFFFRGJOE-ZDUSSCGKSA-N 241.246 2.892 30 20 BFED N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2C2CC2)ccc1F 177136352 XUMHIMUCCCDGBA-VXGBXAGGSA-N 244.269 2.682 30 20 BFED C=CCOc1ccc(C(=O)N(C)CC(=C)C)cc1 180444573 GOKHXKVCPKVGRN-UHFFFAOYSA-N 245.322 2.900 30 20 BFED C[C@H]1CC[C@@H](C)N1Cc1ccc(C#N)s1 180596160 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Cc1ccc(CCN2CCC(C#N)CC2)cc1 124227380 AFSKQNSTWPEINH-UHFFFAOYSA-N 228.339 2.773 30 20 BFED C#CCN(CC)[C@@H](C)c1ccc(C#N)cc1 125768391 OZFZUCJVZDICIK-LBPRGKRZSA-N 212.296 2.574 30 20 BFED C=CCn1c(C)cc(C(=O)CSC)c1C 125882235 AWYRAUXRBHAAIW-UHFFFAOYSA-N 223.341 2.837 30 20 BFED C#Cc1cccc(NC(=O)c2coc(C)c2)c1 130976155 OKUNLZSWYCUGJK-UHFFFAOYSA-N 225.247 2.822 30 20 BFED C[C@H]1CCN(C(=O)c2ccc(C#N)cc2)C[C@H]1C 131714655 WIAAQYRHRYASFY-NWDGAFQWSA-N 242.322 2.676 30 20 BFED CC(C)[C@@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 134966578 IMFZJQRSQZRBNF-CYBMUJFWSA-N 248.370 2.965 30 20 BFED C=C[C@](C)(CC)C(=O)NCCc1ccncc1C 135148008 AVHORYZQQJJBEN-OAHLLOKOSA-N 246.354 2.651 30 20 BFED Oc1ccccc1/C=N/[C@H]1CCO[C@H](C2CC2)C1 154227085 JWHRJPMTPMWJAR-VSSJFHQUSA-N 245.322 2.769 30 20 BFED C=CCN(C)Cc1c(C2CC2)nc2sccn12 154794464 UVALZSLZEPWVCM-UHFFFAOYSA-N 247.367 2.891 30 20 BFED C=CC[C@H](C)Nc1ccc(C(F)(F)F)nn1 161054629 FMQPCCXQQUAENP-ZETCQYMHSA-N 231.221 2.872 30 20 BFED C=CCN(C)C(=O)C1(Cc2ccccc2)CC1 161792610 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C[C@@H](NC[C@H]1CCSC1)c1ccc(C#N)cc1 224338800 JHFGUGIAATVJRD-DGCLKSJQSA-N 246.379 2.962 30 20 BFED CC1(CNc2cc(C#N)cc(Cl)n2)CC1 233037514 YBCPRFHEEICJKN-UHFFFAOYSA-N 221.691 2.819 30 20 BFED C#C[C@@H](CC)NC(=O)c1ccc(Cl)c(F)c1 233900115 QMQLYLJWXLMNRF-VIFPVBQESA-N 239.677 2.621 30 20 BFED C#C[C@@H](CC)NC(=O)c1cccc(C)c1Cl 233903710 FVBIVEYTTZRCOR-JTQLQIEISA-N 235.714 2.790 30 20 BFED C=CC[C@H](C)Nc1nccc(C#N)c1Cl 235079378 MGBQGVXJHADVRG-QMMMGPOBSA-N 221.691 2.983 30 20 BFED C=CCNC(=O)c1scc(C)c1Cl 235828755 AMSIOWDATCOKEY-UHFFFAOYSA-N 215.705 2.626 30 20 BFED CCC[C@H](N)c1cc(F)c(C#N)c(F)c1 238244505 QYGLBXWVSJOMSF-NSHDSACASA-N 210.227 2.636 30 20 BFED Cc1cc(C)nc(NN=Cc2ccc(F)cc2)n1 254751127 JMQSTYOWBYSBTR-UHFFFAOYSA-N 244.273 2.679 30 20 BFED CCN(CCC#N)C(=O)/C=C/c1ccccc1C 264080182 ZDBSSADINZRAGJ-MDZDMXLPSA-N 242.322 2.770 30 20 BFED CCN(CC)/C(N)=N/CC[C@H](C)c1ccccc1 264090852 KZYCEXCKPNZYHR-ZDUSSCGKSA-N 247.386 2.837 30 20 BFED C=C1CCN(c2ncnc3cccc(F)c23)CC1 264943088 SOOUWQILAMEJAO-UHFFFAOYSA-N 243.285 2.925 30 20 BFED Cc1cccc2ncnc(N(C)C[C@@H](C)C#N)c12 267238761 BCRGTWBJVCDXSF-JTQLQIEISA-N 240.310 2.534 30 20 BFED CC(C)(C)SCCNc1ccc(C#N)nc1 267337361 CVLTYWPYAGTIQD-UHFFFAOYSA-N 235.356 2.897 30 20 BFED Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1O 268700233 YDJKCGDJFMWQDI-UHFFFAOYSA-N 244.294 2.723 30 20 BFED C=CCN(C(=O)c1ccc(C)c(C)c1O)C1CC1 271370890 HUTUCUNVTFZFPT-UHFFFAOYSA-N 245.322 2.800 30 20 BFED CC(C)[C@H]1C[C@H](Nc2cccc(C#N)n2)CCO1 271429681 MUYFKFYPDQGHTQ-DGCLKSJQSA-N 245.326 2.569 30 20 BFED C=CCN(C(=O)NCc1ccccc1F)C1CC1 271461595 REBYDJGDHBPZRN-UHFFFAOYSA-N 248.301 2.686 30 20 BFED CC(C)(C)[C@@](C)(C#N)NC(=O)c1cccs1 272378601 DHYCCUOPJUROOI-GFCCVEGCSA-N 236.340 2.806 30 20 BFED C=CCCc1nc(-c2cncc(C)c2)no1 273645139 COEIKHFPCZTNQX-UHFFFAOYSA-N 215.256 2.559 30 20 BFED C=Cc1ccc(C(=O)N(CC)CCC#N)cc1 274259741 YBECNJOSZYJNAG-UHFFFAOYSA-N 228.295 2.705 30 20 BFED C=C(C)CN1CCC(Nc2ccnc(C)c2)CC1 274798973 JLGPMSUOLMGDRK-UHFFFAOYSA-N 245.370 2.842 30 20 BFED C=CCN(C(=O)Nc1ccn(C(C)C)n1)C1CC1 280660342 DCPWFJXJXNRZNB-UHFFFAOYSA-N 248.330 2.646 30 20 BFED C=CC[C@@H](CC)NC(=O)c1sccc1OC 281006808 DULZOSBTFSLNMO-SECBINFHSA-N 239.340 2.841 30 20 BFED C#Cc1ccc(CN(C)[C@H]2CCSC2)cc1 281122261 XQMMNWQDPVIPBP-AWEZNQCLSA-N 231.364 2.605 30 20 BFED C=CC[C@H](CC)NC(=O)NCc1cccc(O)c1 281149233 JSJHGIGMGJDDGL-LBPRGKRZSA-N 248.326 2.546 30 20 BFED C=CC[C@@H](CC)N[C@@H]1CCCc2c1cnn2C 281677077 RGIPQKHDERISER-DGCLKSJQSA-N 233.359 2.742 30 20 BFED C=CC[C@H](CC)Nc1cc(C)nc(COC)n1 281687964 RMGZNVAULRMIMH-NSHDSACASA-N 235.331 2.698 30 20 BFED C=C(C)CCc1noc(CCCOCC)n1 285140930 OBFQXAYKEBISDW-UHFFFAOYSA-N 224.304 2.547 30 20 BFED C#CCCCCNC(=O)c1cc[nH]c1C(C)C 285686731 NXZVTCAKCOMPFP-UHFFFAOYSA-N 232.327 2.671 30 20 BFED CO[C@H](C)CN(C)c1ccc(C#N)c(Cl)c1 286240238 CVGHMTUBPJMPOI-SECBINFHSA-N 238.718 2.683 30 20 BFED CC[C@@H](CC#N)Nc1nc(Cl)c(C#N)s1 287116655 ZZYZRMOQOMXASO-LURJTMIESA-N 240.719 2.772 30 20 BFED C#C[C@@H](C)NC[C@H](C)Cc1ccc(OC)c(F)c1 289354248 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CC1CC(C#N)(C(=O)N2C[C@H]3CCCC[C@H]3C2)C1 311230351 SSHIVZGWVTWUDE-WZSRBFQBSA-N 246.354 2.575 30 20 BFED OC(C[C@H]1CCOC1)=Nc1cccc2ocnc12 328890178 RLBWVFAXVQNCHU-SECBINFHSA-N 246.266 2.842 30 20 BFED C=C[C@@H]1OCCC[C@H]1Nc1ncc(C)s1 334623302 UKCPRHFQRZFHFQ-ZJUUUORDSA-N 224.329 2.597 30 20 BFED C[C@@H](CC#N)N(C)C(=O)[C@H]1CC12CCCCC2 334631937 VSCDACBPEUVSJA-NWDGAFQWSA-N 234.343 2.717 30 20 BFED C=CC(C)(C)C(=O)Nc1ccc2c(c1)COC2 334647848 TZDRZYKUERUJLK-UHFFFAOYSA-N 231.295 2.868 30 20 BFED CC(C)[C@@H]1N(C(=O)[C@H](C)C#N)CC12CCCC2 334765901 LQHKCQNGGHHGKX-NEPJUHHUSA-N 234.343 2.573 30 20 BFED C[C@@H]1C[C@H](NCc2ccc(C#N)s2)CS1 334851285 ADRBZNYYKLNGGR-BDAKNGLRSA-N 238.381 2.603 30 20 BFED CC(C)[C@H]1CCCN1C(=O)NCC1(C#N)CCC1 335293917 HYVOZTUOBLMOKY-GFCCVEGCSA-N 249.358 2.510 30 20 BFED Cc1ccncc1NC(=O)c1ccc(C#N)s1 335682487 PLJNTLXDFRPCMR-UHFFFAOYSA-N 243.291 2.576 30 20 BFED CC1=C(C(=O)Nc2ccc(C#N)cc2)CCC1 335764716 JYZQSWRRMZTGTP-UHFFFAOYSA-N 226.279 2.997 30 20 BFED C[C@H]1CCN(C(=O)C2(C#N)CCCC2)CC1(C)C 336003310 IRIXSZPWEDIQLY-LBPRGKRZSA-N 248.370 2.965 30 20 BFED C[C@H]1CC[C@@H](NC(=O)c2cc(C#N)cs2)C1 336565482 JBBMMIMMFVTPGW-WCBMZHEXSA-N 234.324 2.538 30 20 BFED N#CCCCN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 336686951 UJJDOIUBVCYVHY-XGFWRYKXSA-N 218.344 2.704 30 20 BFED CC[C@@H](F)CNc1cc(C#N)ccc1OC 336734987 LJJNWOGXZZKZCI-SNVBAGLBSA-N 222.263 2.727 30 20 BFED C=CCCCN[C@H]1C[C@@](C)(OC)C1(C)C 336767806 SRVFPOYDTZGNQW-WCQYABFASA-N 211.349 2.746 30 20 BFED C=CCn1c(C(C)C)nnc1N(C)CC(C)C 337867175 QYDWMDJBKLLQTF-UHFFFAOYSA-N 236.363 2.680 30 20 BFED COc1cc(CN[C@H]2CCC[C@@H]2F)ccc1C#N 339585153 UMJOLCOCFDMOQR-STQMWFEESA-N 248.301 2.547 30 20 BFED C=C(CC)CN1CCCc2occc2C1 344242052 DLXFRDNWEMRWMC-UHFFFAOYSA-N 205.301 2.994 30 20 BFED Cc1ccc([C@@H]2CCCN2C(=O)[C@H](C)C#N)s1 347098516 ZLIFIRKKRQIYJO-KOLCDFICSA-N 248.351 2.880 30 20 BFED N#Cc1cccc(CN[C@@H]2CC[C@H]2C2CC2)c1 348102486 MYCBRGFJTGRGOH-LSDHHAIUSA-N 226.323 2.836 30 20 BFED C=CCOCCCN1CCCC[C@H]1C=C 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200.285 2.663 30 20 BFED Oc1ccc(F)cc1C=NOCC1CCC1 853439746 PVUHGWICINTPMN-UHFFFAOYSA-N 223.247 2.682 30 20 BFED C#C[C@](C)(CC)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C 854692856 IXEPOJWRQSWWHT-YWPYICTPSA-N 235.371 2.977 30 20 BFED C#C[C@](C)(CC)NC(=O)[C@@H](C)[C@H](C)CC 854700288 RAXSDCRJTYCEBX-NTZNESFSSA-N 209.333 2.587 30 20 BFED C#CCCOC(=O)Oc1ccc(C#N)cc1CC 859149642 YSYJEFSLXJILSY-UHFFFAOYSA-N 243.262 2.659 30 20 BFED CC(C)CC[C@@H]1CCC(=NNCC(C)(C)O)C1 863137046 QSBMSHUSGHHPDO-GFCCVEGCSA-N 240.391 2.939 30 20 BFED CCO[C@H]1CC(=NNc2cccc(C)n2)C1(C)C 863159692 BVHZEZKRTKKRAS-LBPRGKRZSA-N 247.342 2.993 30 20 BFED C=CCCO[C@@H](C)C(=O)OC(C1CC1)C1CC1 870490236 QZBHBHGOAJCPLG-JTQLQIEISA-N 238.327 2.699 30 20 BFED C=CC1(OC(=O)c2cn(C(C)(C)C)nc2C)CC1 893363548 CMNCWKBYMDTUIW-UHFFFAOYSA-N 248.326 2.822 30 20 BFED C=C1CC(c2noc(C[C@H]3CCC(=O)[C@@H]3C)n2)C1 896877484 LSWJTESESJNHID-NXEZZACHSA-N 246.310 2.661 30 20 BFED Cc1cc(F)ncc1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 901207825 MFHDOXSJSMOJFC-GMXVVIOVSA-N 247.317 2.641 30 20 BFED CC[C@H](N[C@@H]1COC[C@@H]1C)c1ccc(C#N)cc1 903393190 IJIPGWLOQPDZCO-TUKIKUTGSA-N 244.338 2.634 30 20 BFED C=C[C@@H](CC)CC(=O)N(C)c1ncccc1C 904971617 JLVKJXGDWPTOLV-LBPRGKRZSA-N 232.327 2.955 30 20 BFED C[C@@H]1CC[C@@H](CNC(=O)c2ccsc2C#N)C1 907912407 NWMCDTZJDDRMAO-NXEZZACHSA-N 248.351 2.786 30 20 BFED C=CCCCCCN(C)C(=O)O[C@@H]1CCOC1 914168556 NPHHJPJNQLTOPC-GFCCVEGCSA-N 241.331 2.590 30 20 BFED C=CCOc1ccc(C=NNCCC)cc1OC 915965898 RDHLPMMAEMXFDS-UHFFFAOYSA-N 248.326 2.594 30 20 BFED C=CCCn1c(Br)cnc1C 918302396 YGMGYGNFZHSGPI-UHFFFAOYSA-N 215.094 2.530 30 20 BFED N#CCCCCOC(=O)C=C1CCCC1 919598055 RUQOBJWPDYUCNY-UHFFFAOYSA-N 207.273 2.724 30 20 BFED C=CCCN[C@H](CCCN)c1ccccc1 925709488 UVSGOFDOYLXPDP-CQSZACIVSA-N 218.344 2.632 30 20 BFED C=CCC[C@@H](CO)NC1CC2(CCCC2)C1 926546358 RKVQZXJAGPPAPR-LBPRGKRZSA-N 223.360 2.626 30 20 BFED C[C@]1(C(=O)N2CCC[C@H](C#N)C2)C[C@H]2CC[C@H]1C2 928230837 CQWWZRQPFNDTCV-XFMPKHEZSA-N 246.354 2.575 30 20 BFED C=C[C@@H](CC)CC(=O)NCCc1ccco1 929375312 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30 20 BFED C=C(CC)COC(=O)c1ccc(OCC)nc1 1319777291 DVZGEUNZFRFQBB-UHFFFAOYSA-N 235.283 2.603 30 20 BFED Cc1ccccc1C(F)(F)C(=O)O[C@@H](C)C#N 1323148957 FZHOLLROQYUOIR-VIFPVBQESA-N 239.221 2.542 30 20 BFED C#Cc1ccc(NCCCC(F)(F)F)nc1 1336545220 URUGTUXLUZOMMT-UHFFFAOYSA-N 228.217 2.817 30 20 BFED C=CCCCCCN(C)C(=O)[C@@H](F)CC 1336975021 XNCHOHZHNPPFKE-NSHDSACASA-N 215.312 2.939 30 20 BFED CC[C@@H]1CCC[C@H]1C(=O)N(CC)[C@@H](C#N)CC 1337581760 XGEORRKVORRKBV-JHJVBQTASA-N 236.359 2.963 30 20 BFED C=CCn1c(CCC)nnc1N(C)[C@H](C)C1CC1 1338792324 WDVZEHRSHAFTNG-LLVKDONJSA-N 248.374 2.651 30 20 BFED C=CCn1c([C@@H]2C[C@@H]2C)nnc1N(CC)C(C)C 1340312925 OULOVLJOLXPYME-NWDGAFQWSA-N 248.374 2.822 30 20 BFED N#Cc1cc(C(=O)OCCC(F)(F)F)cs1 1344536162 WMXQMYWQVXMATM-UHFFFAOYSA-N 249.213 2.729 30 20 BFED C=C(CC)C(=O)NC[C@H]1CCC2(CCCC2)O1 1347810493 YJLCYEMSXCJMRK-GFCCVEGCSA-N 237.343 2.561 30 20 BFED C=CCC[C@H]1CCCN1C(=O)NCCC1CC1 1348403353 GCHKVUXPBKMMRT-ZDUSSCGKSA-N 236.359 2.927 30 20 BFED 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GFMIOISCBCZUIF-ZDUSSCGKSA-N 216.328 2.711 30 20 BFED COCCCCN[C@@H](C)c1cccc(C#N)c1 44658012 HEPCIPIVZQPIEL-LBPRGKRZSA-N 232.327 2.635 30 20 BFED CC[C@H](CC#N)N[C@H]1CCc2ccccc2C1 51631636 KWTGLXMRCYSVSR-CABCVRRESA-N 228.339 2.826 30 20 BFED CC[C@@H](NC(=O)[C@H](C)C#N)C1CCCCC1 52343221 KZRFLAMGLARJHX-ZYHUDNBSSA-N 222.332 2.621 30 20 BFED C[C@H](Nc1ccnc(C#N)c1)c1cccnc1 61811665 HEPZUPGIYPMUFC-JTQLQIEISA-N 224.267 2.521 30 20 BFED Cc1ccccc1CN(C)C[C@H](C#N)CCC#N 72589878 SVVDIIPRSIXYGN-AWEZNQCLSA-N 241.338 2.870 30 20 BFED COc1cccc(CNc2cccc(C#N)n2)c1 80116877 LMPKFQHHYBCFLV-UHFFFAOYSA-N 239.278 2.574 30 20 BFED C[C@@H](Cc1ccco1)Nc1cccc(C#N)n1 80117671 AFKFSOGGOJTFFF-JTQLQIEISA-N 227.267 2.589 30 20 BFED N#CC1(C(=O)N2CCC[C@@H]3CCC[C@@H]32)CCCC1 87771187 ULQVIAUONHCEJS-STQMWFEESA-N 246.354 2.861 30 20 BFED COc1ccc(NCC2(CC#N)CC2)cc1F 88249592 GULLTSUGLPZVDC-UHFFFAOYSA-N 234.274 2.940 30 20 BFED C[C@H](Nc1ccc(C#N)cc1F)c1cnn(C)c1 90794879 YKGIQDFRIZOKCI-VIFPVBQESA-N 244.273 2.604 30 20 BFED 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2.909 30 20 BFED C=CC[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC)C1 597993700 AHTBYBYOXOSVJB-OCCSQVGLSA-N 234.343 2.741 30 20 BFED CCN(C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H](C)C#N 598347626 WTCCQZAPGOPQPM-CYDGBPFRSA-N 234.343 2.573 30 20 BFED CCN(C(=O)[C@H](C)CC1CCCC1)[C@@H](C)C#N 598358001 BTVOPRDIVOLXPF-NEPJUHHUSA-N 236.359 2.963 30 20 BFED N#C[C@H]1CCC[C@@H](N[C@@H]2C[C@H]2C(F)(F)F)C1 601306205 CHUUOLPBMPQHMO-SGIHWFKDSA-N 232.249 2.609 30 20 BFED N#CCC1(CN2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3CC2)CC1 602837636 XGROKHOLKFABRP-AJNGGQMLSA-N 242.366 2.824 30 20 BFED CCN(CCC#N)C(=O)Nc1csc(C)c1 603149902 PCZRGUOVKQPJKI-UHFFFAOYSA-N 237.328 2.824 30 20 BFED CCc1cc(N(CCC#N)CCC(C)C)ncn1 610929637 FEIRJMFTTSRYTC-UHFFFAOYSA-N 246.358 2.805 30 20 BFED CC(C)[C@H]1C[C@@H](Nc2ccc(C#N)nc2)CCO1 611306936 FMEDCSMEZHZQEJ-SMDDNHRTSA-N 245.326 2.569 30 20 BFED CC(C)=C[C@@H]1[C@@H](C(=O)NCC(C)(C)C#N)C1(C)C 611688080 AVHJEFVYEOVGHS-NEPJUHHUSA-N 248.370 2.891 30 20 BFED C=CCN(C(=O)[C@@H](C)CCCOC)C(C)(C)C 622944830 HICRBCHDRDLTRY-LBPRGKRZSA-N 241.375 2.862 30 20 BFED C=CC[C@@H](C)N=c1[nH]c2cccc(F)c2o1 623978859 HGIJEDXTVUUFEK-MRVPVSSYSA-N 220.247 2.765 30 20 BFED C=C[C@@H](C)NC(=O)Nc1ccsc1C 640466626 PUCHPUKEZYAYHT-SSDOTTSWSA-N 210.302 2.753 30 20 BFED C=CCCCCn1cc(-c2cccc(N)c2)nn1 640938856 FBHWXPOETLKSDI-UHFFFAOYSA-N 242.326 2.884 30 20 BFED C=CC[C@H]1CCCN(C[C@H]2CCCOC2)C1 661381001 SSDJOZFOXWCPGP-UONOGXRCSA-N 223.360 2.701 30 20 BFED CC(=O)c1ccc(C#N)cc1N1CC[C@@H]2C[C@H]2C1 664523411 HYCGVUHFGDUQLQ-OLZOCXBDSA-N 240.306 2.607 30 20 BFED C=C[C@H](C)NC(=O)N[C@@H]1CCc2ccc(F)cc21 674980719 JZBIRHJLVPKTCO-TVQRCGJNSA-N 248.301 2.687 30 20 BFED C=CCN(C)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 681651600 RQLCZYZDZYSMPJ-HIFRSBDPSA-N 244.338 2.544 30 20 BFED C=C(C)CNC(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 681660515 IVXLSOIJVSEHEY-HIFRSBDPSA-N 244.338 2.592 30 20 BFED C=C1CCN(Cc2cc3c(s2)CCNC3)CC1 687949530 QPZFTSIISIIULG-UHFFFAOYSA-N 248.395 2.546 30 20 BFED C#CC1CCN(c2cccc(F)c2C#N)CC1 692380474 QQEACYOSZSIRHX-UHFFFAOYSA-N 228.270 2.547 30 20 BFED C=C(C)CN(C)c1nnc(Cl)c(C)c1C 720129942 WDWYGAOPVGRSFX-UHFFFAOYSA-N 225.723 2.759 30 20 BFED C#CCOC(=O)c1ccccc1OCC(C)C 731377752 GXMMCPBBJAJOPR-UHFFFAOYSA-N 232.279 2.511 30 20 BFED CCCCCCCOC(=O)C1=COCC1 734190631 RXXMLNLPQMIOLR-UHFFFAOYSA-N 212.289 2.804 30 20 BFED CC1(C)CCC(=NNc2cccnn2)CC1 735977393 YRMPZYRULRLNQH-UHFFFAOYSA-N 218.304 2.845 30 20 BFED C[C@H]1CCCCC1=NNc1ccnc(N(C)C)n1 739413339 MSNCWTUKHVVBRC-JTQLQIEISA-N 247.346 2.521 30 20 BFED C#CCCCNC(=O)C[C@H]1CCCC[C@@H]1C 742787921 AFLROZBGRQVOEE-QWHCGFSZSA-N 221.344 2.732 30 20 BFED C[C@@H]1CC(=NNCC(F)F)C[C@H](C)C1 747765244 XUQVEUZAWHCESK-OCAPTIKFSA-N 204.264 2.653 30 20 BFED C[C@@H](C(=O)OCC1(C#N)CC1)c1ccccc1 751997820 PITJJSNACMFWBU-LLVKDONJSA-N 229.279 2.637 30 20 BFED CSCCC=NOCc1ccccc1 755632747 SKUOHEMSTYJVJO-UHFFFAOYSA-N 209.314 2.942 30 20 BFED FC(F)(F)CON=Cc1nc(Cl)cs1 758116160 COXJTTUUWQFKKZ-UHFFFAOYSA-N 244.625 2.709 30 20 BFED C#CCCOC(=O)Cc1c(C)oc2ccccc12 767724332 SRJKFPDKEHMSEG-UHFFFAOYSA-N 242.274 2.850 30 20 BFED CC(=O)OCc1ccccc1C(C)(C)C#N 767981406 JBQVUABFGSDJBH-UHFFFAOYSA-N 217.268 2.551 30 20 BFED C#C[C@@H](CC)OC(=O)/C=C/c1ccccc1C#N 768056701 QCJSPVXNXCPFKK-HBWSCVEGSA-N 239.274 2.526 30 20 BFED C#CCOc1ccc(CN2CC[C@@H](CC)C2)cc1 770303417 GTNQYLIJWIWCOO-CQSZACIVSA-N 243.350 2.931 30 20 BFED C=CCCOC(=O)C[C@@H](C)c1c(C)n[nH]c1C 772029883 PAGWHXLRGVPHAT-SECBINFHSA-N 236.315 2.639 30 20 BFED C=C(CC)COC(=O)[C@@H](C)N1[C@@H](C)CC[C@H]1C 773521409 GOWAOZAEBWPDBD-FRRDWIJNSA-N 239.359 2.757 30 20 BFED CC(C[C@@H]1CCOC1)=NN[C@@H]1C[C@H]2CC[C@H]1C2 774595549 DHIWTCMFBCTRGN-XDQVBPFNSA-N 236.359 2.567 30 20 BFED C=C(Cl)COC(=O)[C@@H]1C[C@]1(C)C(C)C 775081725 XTBGCVSUZHKYSG-GXSJLCMTSA-N 216.708 2.964 30 20 BFED C#CCCCOc1ccccc1-c1nnco1 776299512 PEUQIBZGTBWUAD-UHFFFAOYSA-N 228.251 2.529 30 20 BFED Fc1cc(Cl)cc(C=NN=c2cc[nH]cc2)c1 776733802 LYFFMNFMAZYGGT-UHFFFAOYSA-N 249.676 2.742 30 20 BFED CC(C)[C@H]1CC(=NNc2ccccn2)CCO1 776759268 KHXKWWKWUAPJFS-GFCCVEGCSA-N 233.315 2.685 30 20 BFED C=C(Cl)COC(=O)[C@H]1CCO[C@@H](CCC)C1 780163445 MCGGFGOZEKBRJI-QWRGUYRKSA-N 246.734 2.877 30 20 BFED C=C[C@](C)(CCOC)C(=O)O[C@@H](C)CCC 782444599 ZKHYMGQZTXJRLJ-WCQYABFASA-N 228.332 2.947 30 20 BFED CC[C@H](NN=C(C)C[C@H](C)CC(C)C)C(=O)O 793077725 HDIIDILPOYOEGA-PWSUYJOCSA-N 242.363 2.887 30 20 BFED C#CCCCC(=O)N(CC1CC1)C1CCC1 794391935 PMGVZQKOZLWOSW-UHFFFAOYSA-N 219.328 2.581 30 20 BFED CC(=NNCCC(F)(F)F)c1ccco1 794551281 DYTCMKXTDXATPB-UHFFFAOYSA-N 220.194 2.546 30 20 BFED C[C@H]1CCC[C@H](C=NNc2cncnc2)C1 794973699 XUHCIOIDOPMAGP-QWRGUYRKSA-N 218.304 2.701 30 20 BFED CC[C@](C)(C#N)C(=O)OCc1ccc(F)cc1 796832510 QYNDTFISWRJASY-CYBMUJFWSA-N 235.258 2.809 30 20 BFED C=CC[C@H](CC)NC(=O)c1ccc2c(c1)CCO2 798551162 NBZAEMLFNVRTMZ-ZDUSSCGKSA-N 245.322 2.706 30 20 BFED N#CCCCCCC(=O)O[C@H]1CCCCC1=O 805697066 PMKLIEHPCJXNFW-LBPRGKRZSA-N 237.299 2.515 30 20 BFED CC(=NN[C@@H]1CCSC1)c1ccccc1 808001846 HCCMZUNPBZZURY-GFCCVEGCSA-N 220.341 2.506 30 20 BFED C=CCCOC(=O)c1cncc(C(F)(F)F)c1 808617182 GYPTXHSHAARYPD-UHFFFAOYSA-N 245.200 2.833 30 20 BFED C#Cc1ccc(CN2C[C@@H]3[C@@H](C2)C3(C)C)cc1 809582439 YBZNODHGSSTBMH-HUUCEWRRSA-N 225.335 2.756 30 20 BFED c1ccc2c(c1)CCC2=NNC[C@@H]1CCSC1 811657818 DOKAPVOXHOJNPX-NSHDSACASA-N 246.379 2.680 30 20 BFED CC(C)(C)n1cc(C=NOC/C=C/Cl)cn1 811670362 QMMGSGPKCDBXNL-BJQYGPDJSA-N 241.722 2.741 30 20 BFED CCCCC[C@@H](C)NC(=O)CCCC#N 812458214 ZYWZNPQYPLYDQZ-LLVKDONJSA-N 210.321 2.765 30 20 BFED CC(CCCCN(C)C)=NOCCC1CC1 814245266 ODVTVNYBCBDFLN-UHFFFAOYSA-N 226.364 2.911 30 20 BFED CC1(C)OCCC1=NNc1c(F)cccc1F 814852763 NUGQSWDAEAINCK-UHFFFAOYSA-N 240.253 2.932 30 20 BFED CCOCCON=Cc1cccc2cc[nH]c12 814907410 IGSQEJIWRNRCFI-UHFFFAOYSA-N 232.283 2.555 30 20 BFED CC(C)OC1CC(=NOC/C=C/Cl)C1 814934218 OUSALLNHTCWASQ-GTAVMOOUSA-N 217.696 2.699 30 20 BFED CC(C)CC[C@H]1CCCC1=NNC[C@H](C)O 814962660 PRYNGJXYIOHUAM-NWDGAFQWSA-N 226.364 2.549 30 20 BFED C[C@@H]1CC/C(=C/C(=O)N(C)CC(C)(C)C#N)C1 817604870 DRPAOFFSSKSXCZ-HQQGHWSLSA-N 234.343 2.741 30 20 BFED CC[C@@H](C)CON=Cc1cncn1C(C)C 819813099 KMSRUSBOBOTMMX-LLVKDONJSA-N 223.320 2.861 30 20 BFED C=C[C@@H](CC)CC(=O)N(CC(C)=O)CC(C)C 822988257 AYIJPXIDKIECNV-ZDUSSCGKSA-N 239.359 2.662 30 20 BFED CCC[C@@H](CC)C(=O)N(CC)[C@@H](C)C#N 824686735 HQLZXVKYPICCNR-WDEREUQCSA-N 210.321 2.573 30 20 BFED C#C[C@H](CC)NC(=O)c1ccc(C)c2c1CCC2 830357310 QFYLDEXIVPFGTM-GFCCVEGCSA-N 241.334 2.625 30 20 BFED Cc1ccc(C(=O)/C=C/c2ccc(C(=O)O)[nH]2)o1 832911928 SBHKFLCLHVXPKJ-GQCTYLIASA-N 245.234 2.510 30 20 BFED CC[C@@](C)(C=NNc1nc2ccccc2[nH]1)OC 834920611 MLQBBUGNTHKDIW-ZDUSSCGKSA-N 246.314 2.776 30 20 BFED Fc1cc2c(c(F)c1F)C(=NNC1CC1)CC2 834968610 MWPIEKAVAINFEY-UHFFFAOYSA-N 240.228 2.506 30 20 BFED CCC(=NN(C)CCOC)C1CCCC1 834977111 GRKAKRPZDWTBPU-UHFFFAOYSA-N 212.337 2.521 30 20 BFED CCC(=NOCCOC(C)C)C1CCC1 834980394 XOPIXYYPTDIQEE-UHFFFAOYSA-N 213.321 2.994 30 20 BFED CCCCCCC=NNc1ccncn1 835000531 GOIUTRDXUVRAQT-UHFFFAOYSA-N 206.293 2.845 30 20 BFED C=CCCC(CC)=NNc1ccncn1 835001129 DZYIEDZFBYSJES-UHFFFAOYSA-N 204.277 2.621 30 20 BFED C[C@@H]1CC=C(C(=O)OC2(C#N)CCC2)CC1 835210736 AEHCYZDGJGPVNS-SNVBAGLBSA-N 219.284 2.722 30 20 BFED Cc1sccc1C(=O)OCC1(C#N)CCC1 835310515 GIDJDRDZXQSGQW-UHFFFAOYSA-N 235.308 2.907 30 20 BFED CC[C@](C)(COC(=O)CCCCCC#N)OC 835963840 PUQNGNNHUDCHTB-CYBMUJFWSA-N 241.331 2.819 30 20 BFED CCCCC[C@@H](C)NC(=O)CSCCC#N 840214111 UJYAGUWEWZAAJI-LLVKDONJSA-N 242.388 2.718 30 20 BFED C#Cc1ccc(CNC(C)(C)COC(C)C)cc1 840973209 FSZXUGQDUGGBHJ-UHFFFAOYSA-N 245.366 2.961 30 20 BFED CCC(=NN[C@H](CO)c1ccccc1)[C@H]1C[C@@H]1C 841635178 GRSKCQDKUPBUEU-CORIIIEPSA-N 246.354 2.732 30 20 BFED C#C[C@H](C)OC(=O)[C@H](C)OCCCCCC 842309629 BOQFXJUVVGAIMA-RYUDHWBXSA-N 226.316 2.537 30 20 BFED CC[C@H](CC#N)NCc1ccc(N(C)C)c(C)c1 846982935 QWCPUNVMGAELIA-CQSZACIVSA-N 245.370 2.843 30 20 BFED CC(C)c1ccccc1C=NN[C@H]1CCCOC1 848408995 IRHWBFNSYUBPNZ-AWEZNQCLSA-N 246.354 2.913 30 20 BFED CCOC1CCC(=NNC2CCCC2)CC1 853301775 PLZDYWGYWJISAV-UHFFFAOYSA-N 224.348 2.854 30 20 BFED Cc1nc(C=NN[C@@H]2CCCCC2(C)C)[nH]c1C 853340506 AAHKMFTYPNAVJJ-GFCCVEGCSA-N 248.374 2.919 30 20 BFED CCCCCCCNS(=O)(=O)CC(C)C 859246970 MHBVXZDCCHNRPP-UHFFFAOYSA-N 235.393 2.532 30 20 BFED C=CCOC(=O)[C@H](C)OCc1ccc(C)cc1 859826637 BTTURMDBHXLYNY-LBPRGKRZSA-N 234.295 2.629 30 20 BFED C=C(C)CCOC(=O)[C@@H](CCC)OCC 859838831 OPMARWNLWBRNTG-LLVKDONJSA-N 214.305 2.701 30 20 BFED C#CC[C@H](CCOC)N[C@@H](C)[C@H](C)CC=C 862548029 WMGIOXAZQNEXST-HZSPNIEDSA-N 223.360 2.605 30 20 BFED CCCCOC(=O)CS[C@H]1CC[C@H](C#N)C1 865376957 JWIUESQHMZWXTE-QWRGUYRKSA-N 241.356 2.755 30 20 BFED C#CCCCCCCNCc1ccnc(OC)c1 877015046 XCUZAZOLYCRQJB-UHFFFAOYSA-N 246.354 2.764 30 20 BFED CCc1cc2c(NCCC#N)nc(C)nc2s1 882274459 NNXSTEFAJJFSET-UHFFFAOYSA-N 246.339 2.888 30 20 BFED CC(C)OCCON=Cc1ccc(Cl)cn1 884471031 JRIFIPSFGDIGRL-UHFFFAOYSA-N 242.706 2.511 30 20 BFED C=C[C@H](C)N[C@H](C)c1c(O)cccc1F 886538202 CWPLPWOASMTFGI-DTWKUNHWSA-N 209.264 2.756 30 20 BFED C=C1CCC(C(=O)NCCSC(C)C)CC1 890920058 POZNMBIQXVKBAA-UHFFFAOYSA-N 241.400 2.991 30 20 BFED C=C1CCC(C(=O)NCc2ncc(CC)o2)CC1 897416991 PYVFCEKOVZTCIK-UHFFFAOYSA-N 248.326 2.600 30 20 BFED Cc1noc(C)c1C=NN[C@H](C)c1ccccc1 920383050 RNYWVJGBVQHFPI-SNVBAGLBSA-N 243.310 2.976 30 20 BFED C=CC[C@@H](CC)N[C@H](C)c1cc(OC)no1 926352314 VZTNHOVZTPFSNO-NXEZZACHSA-N 224.304 2.689 30 20 BFED C=CCCCCNC(=O)[C@H](C)c1cccc(O)c1 935438176 MHWQETSDRZXJEU-GFCCVEGCSA-N 247.338 2.968 30 20 BFED CCC(CC)NN=Cc1cccc(C(=O)OC)c1 1116391399 BZZNAUCPFIUZAI-UHFFFAOYSA-N 248.326 2.585 30 20 BFED C=C[C@@H](COC)NC(=O)C(C)(C)CCCCC 1116642830 BYMMBHGEFZPBMP-LBPRGKRZSA-N 241.375 2.910 30 20 BFED CC[C@H](C#N)N(CC)C(=O)Cc1cccc(C)c1 1121161302 PTJYDTWIGAPUFD-CQSZACIVSA-N 244.338 2.688 30 20 BFED C#CC[C@@H](C)OC(=O)c1ccc(CF)cc1 1122731430 OPAKNGNSDUONTP-SNVBAGLBSA-N 220.243 2.725 30 20 BFED C=C(CC)C(=O)Nc1ccc2c(c1)C[C@H](C)O2 1124047060 CWEQBAPIGGLISR-JTQLQIEISA-N 231.295 2.915 30 20 BFED N#CC1(c2nnc(C3CCC3)o2)CCCC1 1255151026 ZUWVUOJRMSTYIA-UHFFFAOYSA-N 217.272 2.672 30 20 BFED N#Cc1ccc(-c2ccc3c(c2)CC(=O)N3)s1 1261223197 NBHGUHRTOVNXPY-UHFFFAOYSA-N 240.287 2.781 30 20 BFED C=C[C@](C)(CC)C(=O)OCC[C@@H]1CCOC1 1261293322 IIMSAKNIPPZZCH-WCQYABFASA-N 226.316 2.559 30 20 BFED C=CC1CCN(Cc2cccnc2N(C)C)CC1 1323705338 YINHNVKCDTZPRV-UHFFFAOYSA-N 245.370 2.546 30 20 BFED CC[C@H](C)CON=Cc1cccc(C(=O)OC)c1 1324144061 YIBCEYDQUVUYQZ-NSHDSACASA-N 249.310 2.870 30 20 BFED C[C@H](C#N)OC(=O)C1(C(F)(F)F)CCCCC1 1327178310 QBIIISCJBPYYCR-MRVPVSSYSA-N 249.232 2.954 30 20 BFED Fc1ccc(CCC=NN=c2cc[nH]cc2)cc1 1327188664 CGLOZUAOOVJIJQ-UHFFFAOYSA-N 243.285 2.673 30 20 BFED C#CCN(CCCC(C)(C)C#N)CC1CC1 1341067228 KUNRFKMGTLEYQE-UHFFFAOYSA-N 218.344 2.662 30 20 BFED C=CC[C@@H](C(=O)OCC[C@@H](C)O)c1ccccc1 1346757966 PSBJIRWTRBADDG-TZMCWYRMSA-N 248.322 2.660 30 20 BFED Cc1ccc(NC(=O)c2ccsc2C#N)nc1 1351468499 XSENAPMMEVVDNU-UHFFFAOYSA-N 243.291 2.576 30 20 BFED C#Cc1ccc(COC(=O)COC(C)(C)C)cc1 1514961332 MXNRCENUWPKLDF-UHFFFAOYSA-N 246.306 2.526 30 20 BFED C#CCCNc1cc(Cl)c(F)c(C(=O)O)c1 1602708580 WJIWQAIBXRYBFU-UHFFFAOYSA-N 241.649 2.613 30 20 BFED N#Cc1ccc(NCc2cccc(F)c2F)nc1 1643006134 ZFHHFTZSQQYQMN-UHFFFAOYSA-N 245.232 2.844 30 20 BFED C[C@@H](N[C@@H]1CCSC1)c1ccc(C#N)cc1 36991826 LZXJTBWOKCNAFE-ZWNOBZJWSA-N 232.352 2.714 30 20 BFED CC[C@@H](C)N(CC)C(=O)c1cccc(C#N)c1 37113371 USRUFJJGNKAKLA-LLVKDONJSA-N 230.311 2.819 30 20 BFED C=CCN(C(=O)c1ccc(Cl)nc1)C(C)C 37985300 NIYGZVLZOCIKRK-UHFFFAOYSA-N 238.718 2.772 30 20 BFED C#Cc1cccc(NC(=O)c2c(C)noc2C)c1 41636829 WKUBDSZPXJXHNO-UHFFFAOYSA-N 240.262 2.525 30 20 BFED CC[C@@H](C#N)C(=O)N[C@@H](C)CCc1ccccc1 44827967 NGVRYIOFXLFEQV-JSGCOSHPSA-N 244.338 2.674 30 20 BFED CCOc1ccc(C#N)cc1NC(=O)[C@H](C)CC 48976366 QEMBHIGBAUZCTD-SNVBAGLBSA-N 246.310 2.942 30 20 BFED C[C@H](Nc1ccnc(C#N)c1)c1ccccn1 61811671 CPNYRISSXNQQTK-JTQLQIEISA-N 224.267 2.521 30 20 BFED CC(C)c1noc(OCc2cccc(C#N)c2)n1 71886138 YILAAUZAMYZPDU-UHFFFAOYSA-N 243.266 2.644 30 20 BFED Cc1cc(CNc2ccc(F)c(C#N)c2)no1 76941953 MMJZCMDCYWIPFO-UHFFFAOYSA-N 231.230 2.606 30 20 BFED 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223.222 2.636 30 20 BFED C=C[C@H](C)ON=Cc1cnn(C2CCC2)c1 901261970 RTPUMXGHQXTROC-JTQLQIEISA-N 219.288 2.533 30 20 BFED C=C[C@H](CC)CC(=O)OC[C@@H]1C[C@H]2CC[C@H]1O2 909526542 ZEFDHFOIMDYQQQ-YVECIDJPSA-N 238.327 2.699 30 20 BFED N#CCCCCOC(=O)Cc1ccsc1 912956426 DEIUKNCWYFIOFF-UHFFFAOYSA-N 223.297 2.528 30 20 BFED CC1(CNC(=O)N2CCC[C@H](C#N)C2)CCCC1 917592788 MANGRBFYPAGKBC-GFCCVEGCSA-N 249.358 2.512 30 20 BFED CCn1cc(C(=O)/C=C\c2ccccc2)cn1 920992178 NIHSJVKTSTUFSK-HJWRWDBZSA-N 226.279 2.799 30 20 BFED C#C[C@H](NC(=O)N1[C@H](C)CCC1(C)C)C(C)C 922525832 NVBFJABWBGYQTM-NEPJUHHUSA-N 236.359 2.617 30 20 BFED C=CC[C@H](CC)N[C@H](C)c1cc(OC)no1 926352317 VZTNHOVZTPFSNO-ZJUUUORDSA-N 224.304 2.689 30 20 BFED CC(C)Cc1ccc(C(=O)NC2(C#N)CC2)s1 932886775 MFBOAJFREHFKRL-UHFFFAOYSA-N 248.351 2.733 30 20 BFED C#C[C@@H](CCC)NC(=O)C[C@@H](C=C)CC 935623645 FXCPVLONOJWDOZ-RYUDHWBXSA-N 207.317 2.507 30 20 BFED C=CC[C@H](NCC(C(C)C)C(C)C)C(=O)O 1119536175 GURDZTQQQYWDOX-LBPRGKRZSA-N 227.348 2.534 30 20 BFED C=C(C)CCC(=O)N(C)C[C@@H]1CC1(C)C 1120670011 KYOJBQPICSVKKJ-NSHDSACASA-N 209.333 2.847 30 20 BFED C#Cc1ccc(N2CC[C@@H](C3CCC3)C2)nc1 1120856953 MZJYDFDRJOVAFH-CQSZACIVSA-N 226.323 2.689 30 20 BFED CCc1ccc(C=NNCC2CCOCC2)cc1 1251898940 LTCMDJKGSXKGCM-UHFFFAOYSA-N 246.354 2.599 30 20 BFED Cn1c(C=NOC(C)(C)C)nc2ccccc21 1253788569 GFWQQHLAUQIUJN-UHFFFAOYSA-N 231.299 2.722 30 20 BFED C(=NO[C@H]1CCCCO1)c1cccn1C1CC1 1261277649 HBAMZTTVSGWERG-ZDUSSCGKSA-N 234.299 2.700 30 20 BFED CC(=O)c1ccc(CON=C2CCC2)cc1 1328732013 HUGHZZIDCUGUIQ-UHFFFAOYSA-N 217.268 2.946 30 20 BFED C=CC[C@H](NC(=O)[C@H](F)CC)c1ccncc1 1336350705 ZHCOJGXYMPHBDE-NEPJUHHUSA-N 236.290 2.563 30 20 BFED C#Cc1ccc(N[C@@H]2CCOC3(CCC3)C2)nc1 1336548029 GHNMPXZXQONTMW-CYBMUJFWSA-N 242.322 2.577 30 20 BFED C=C(C)C(C)(C)c1nnc(-c2ccncc2)o1 1346626376 XHZNATQZWMRMJD-UHFFFAOYSA-N 229.283 2.985 30 20 BFED C=C(CC(C)C)C(=O)N1[C@H]2C=CC[C@H]1CC2 1351689275 ILDZCBOANHOOPP-STQMWFEESA-N 219.328 2.908 30 20 BFED CCc1nnc(Sc2cccc(F)c2C#N)o1 1472863170 GWDBGNXZADEVJZ-UHFFFAOYSA-N 249.270 2.794 30 20 BFED CC[C@H](F)C(=O)[C@H](C#N)c1nc2ccccc2o1 1515836887 NLMHLGARITXYGL-IUCAKERBSA-N 246.241 2.752 30 20 BFED C#CC[C@@H](C)OC(=O)[C@@H]1CCc2ccccc2C1 1516857956 AGPYSFOQWALNNY-IUODEOHRSA-N 242.318 2.747 30 20 BFED C[C@H](OC(=O)c1cnc(C2CC2)o1)C(C)(C)C#N 1516907965 WPBBAQMJJKWSQA-QMMMGPOBSA-N 248.282 2.647 30 20 BFED C=C(CC(C)C)C(=O)N1CCCO[C@@H](CC)C1 1528391072 ICMWFYFXIYJJRA-ZDUSSCGKSA-N 239.359 2.616 30 20 BFED C=CC[C@H](Nc1cc(C)c(OC)cc1C)C(=O)O 1602845674 SVUHBOWGVBOCTJ-NSHDSACASA-N 249.310 2.753 30 20 BFED CCc1ncc(COc2ccc(C#N)c(F)c2)o1 1651815502 BMLZDTWLXBOGHX-UHFFFAOYSA-N 246.241 2.827 30 20 BFED CCC[C@H](C#N)NC(=O)CCC1CCCC1 40351948 PEXMCGOMGHYYRY-GFCCVEGCSA-N 222.332 2.765 30 20 BFED Cc1cccc(C(=O)[C@@H](C#N)c2ccccn2)c1 46439980 RWBLFKQVQBVPMW-ZDUSSCGKSA-N 236.274 2.880 30 20 BFED N#Cc1cccc(CNC(=O)CC2CCCC2)c1 48439438 FVBGBQQVWZKMLM-UHFFFAOYSA-N 242.322 2.755 30 20 BFED CCCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 49828365 ZKGHDSOWHQKPNK-NSHDSACASA-N 236.702 2.821 30 20 BFED CC[C@@H](C#N)C(=O)Nc1ccc2ncccc2c1 54108683 MJCKZRKBFUKADD-JTQLQIEISA-N 239.278 2.723 30 20 BFED C=CCSCc1ccccc1C(=O)O 58238799 URENTRGHGUTYEH-UHFFFAOYSA-N 208.282 2.804 30 20 BFED C#CCSc1ncccc1Br 70615417 PXKOAMKWXUSXJB-UHFFFAOYSA-N 228.114 2.569 30 20 BFED CC/C=C(/C)C(=O)[C@@H](C#N)c1nc(C)cs1 71859270 LNBPTHOICDAITA-DAGBOUIGSA-N 234.324 2.984 30 20 BFED COc1ccccc1CNc1cccc(C#N)n1 80116779 QVIJXHMOCXDABP-UHFFFAOYSA-N 239.278 2.574 30 20 BFED N#CC[C@@H](O)c1csc2ccccc12 85878645 QQQXOEDMCXVURE-SNVBAGLBSA-N 203.266 2.848 30 20 BFED C=C(C)COCCN[C@@H]1CCc2ccccc21 90450842 IXRPGGPPZSXBBG-OAHLLOKOSA-N 231.339 2.856 30 20 BFED N#Cc1ccccc1-c1n[nH]c2ccc(N)cc12 91362150 GWDGZYUTEXQRNZ-UHFFFAOYSA-N 234.262 2.684 30 20 BFED COCCN(CCC#N)C[C@@H]1CCC[C@@H](C)C1 92799131 YEHQNXJBMPTALV-ZIAGYGMSSA-N 238.375 2.675 30 20 BFED C=C(Cl)CN(CCOC)C(CC)CC 102950296 OQIVLSCYZVCNRF-UHFFFAOYSA-N 219.756 2.876 30 20 BFED CC[C@](C)(C#N)NC(=O)[C@@H](C)c1ccccc1F 108992887 XXBQBVSLVIFHMY-IINYFYTJSA-N 248.301 2.738 30 20 BFED CCOCCN(CC)c1ccc(C#N)cc1F 111125086 VZSGLUXWOLSSCR-UHFFFAOYSA-N 236.290 2.560 30 20 BFED C#CCCCCC(=O)N[C@H](C)Cc1cccs1 119582069 ATQNQMIUHWJRTN-GFCCVEGCSA-N 249.379 2.989 30 20 BFED C=C(C)CNCc1cc(OC)cc2c1O[C@@H](C)C2 119637316 NKDGWGUNRAWMGN-NSHDSACASA-N 247.338 2.684 30 20 BFED C#CCCCCC(=O)N[C@@H](CCCC)COC 120169746 SZGPCZWQAAEFOM-ZDUSSCGKSA-N 239.359 2.501 30 20 BFED Cc1ccc(/C=C/C(=O)N[C@@](C)(C#N)C(C)C)o1 120695245 ICSVXKNIFSRROV-NPQIQWPPSA-N 246.310 2.656 30 20 BFED CC[C@H](C#N)Nc1ccccc1O[C@@H](C)C#N 122270099 QIVGAJUKFSIELA-WDEREUQCSA-N 229.283 2.692 30 20 BFED C#CCOc1ccc(NC(=O)[C@H]2CC2(C)C)cc1 122454515 YJCGKQLWYNXDTF-CYBMUJFWSA-N 243.306 2.683 30 20 BFED C=CCOC(=O)[C@@H](C)Oc1cccc(Cl)c1 123894707 UHJBXQBXCLFXIX-SECBINFHSA-N 240.686 2.837 30 20 BFED CC[C@H](C#N)OC(=O)c1cnc(C(C)C)s1 124899037 ORGOUYSPFPWMBG-MRVPVSSYSA-N 238.312 2.725 30 20 BFED CCC[C@@H](C(=O)N[C@H](C)C#N)c1ccccc1 125777838 SANGOEBPIJFWSE-DGCLKSJQSA-N 230.311 2.599 30 20 BFED C=CCCN1CCO[C@@H](c2ccccc2C)C1 126209666 YGPAAPGUOVAWIL-OAHLLOKOSA-N 231.339 2.944 30 20 BFED Cc1cc(Cl)cc(C(=O)NC[C@H](C)C#N)c1 130499739 SVMONNRTKKXGOL-SECBINFHSA-N 236.702 2.538 30 20 BFED C=C[C@H](CC(=O)N(C)CC)c1ccccc1 131501963 ITTKIPNDTNTKQK-GFCCVEGCSA-N 217.312 2.825 30 20 BFED C=CCC[C@H](C)N[C@H](CC(C)C)C(=O)OC 131953978 QMQQNCWAAIMJSY-NWDGAFQWSA-N 227.348 2.518 30 20 BFED C=CCCN(C)CCN(C)c1ccccc1 133009358 VYNGKVICYNVQQU-UHFFFAOYSA-N 218.344 2.631 30 20 BFED CSCC[C@@H](C)N(C)c1ccc(C#N)cn1 135491610 RUUJAUQNTLRECN-SNVBAGLBSA-N 235.356 2.531 30 20 BFED CN(c1ccc(F)cc1C#N)C1CCC1 135504068 RLLUYJVCBKUZTR-UHFFFAOYSA-N 204.248 2.686 30 20 BFED N#CCC[C@H](C#N)COc1cccc(F)c1 152722890 CQWLBVOKBMADCI-SNVBAGLBSA-N 218.231 2.648 30 20 BFED C=C(C)CNC(=O)CCSCCCC 153049835 DVFVXZAQCXQZCF-UHFFFAOYSA-N 215.362 2.602 30 20 BFED CCc1cccc(C)c1NC(=O)N[C@H](C)CC#N 153196443 MKSJBPSKPXDRSC-LLVKDONJSA-N 245.326 2.981 30 20 BFED CC#CCCN1C[C@@H](C)OC[C@@H]1c1ccccc1 155876517 VETGZHNXGMUXSH-GDBMZVCRSA-N 243.350 2.862 30 20 BFED CC(C)(C)[C@@H]1CCN(c2ccnc(C#N)c2)C1 159716983 FBQMZNABIVMSAI-LLVKDONJSA-N 229.327 2.826 30 20 BFED C[C@@H](C#N)CN[C@@H]1Cc2ccc(Cl)cc2C1 168086560 HABRXWWSBXYYHQ-TVQRCGJNSA-N 234.730 2.556 30 20 BFED C=CCCNCc1cncc(Br)c1 168742115 TVDDRTCBDOSHEI-UHFFFAOYSA-N 241.132 2.510 30 20 BFED C=CCCCN(C)Cc1cn2ccsc2n1 172324779 VOGCTHLDBJRKPW-UHFFFAOYSA-N 235.356 2.794 30 20 BFED C=CCNC(C)(C)c1nc(C)c(C)s1 173954555 UPPRVIRMAGIDRP-UHFFFAOYSA-N 210.346 2.771 30 20 BFED C#Cc1cccc(N(C)C(=O)C2[C@H]3CCC[C@H]23)c1 176469203 YBRVNGRTOGYUOX-KBPBESRZSA-N 239.318 2.677 30 20 BFED CC(C)CCC[C@H](C)NC(=O)NC[C@H](C)C#N 182311533 AKMOROBKSBEGIN-NEPJUHHUSA-N 239.363 2.660 30 20 BFED CC[C@H](CC#N)NC(=O)CC1=CCCCC1 183823899 DATUOJYNOPOJHK-GFCCVEGCSA-N 220.316 2.685 30 20 BFED C#CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 191097223 WUBLCZMDHKVHHO-QWHCGFSZSA-N 247.725 2.535 30 20 BFED CCCCCCCC(=O)N1CCO[C@@H](C)C1 192573248 SAIHADGPDSMGDI-LBPRGKRZSA-N 227.348 2.594 30 20 BFED C=CCN[C@H](COC)c1ccc(Cl)cc1 193676907 AOOALTXCJNCIAD-GFCCVEGCSA-N 225.719 2.803 30 20 BFED CCC[C@H](CC)NC(=O)c1sccc1C#N 194600938 NWUMVMHJMKDIEU-JTQLQIEISA-N 236.340 2.928 30 20 BFED C[C@H](CCC#N)Sc1nc(O)cc(C2CC2)n1 195084434 LVPJXKLPBKHMJQ-MRVPVSSYSA-N 249.339 2.844 30 20 BFED C[C@H]1[C@H](C)CCN1Cc1ccc(F)cc1C#N 248339148 ICICCTBUZPLCMO-MNOVXSKESA-N 232.302 2.928 30 20 BFED C#CCC(C)(C)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248610154 FSRNIFSTRSMUNG-XDQVBPFNSA-N 247.382 2.977 30 20 BFED N#Cc1ccncc1N1CC[C@@H]2CCCC[C@H]2C1 250150947 ACHHVVWYAZAQCE-JSGCOSHPSA-N 241.338 2.970 30 20 BFED CC/C=C(/C)C(=O)N(CC#N)c1ccccc1 254999746 TVBKHLYMKNKMQL-GHXNOFRVSA-N 228.295 2.899 30 20 BFED CCc1ccc(CN(C)CC2(C#N)CC2)cc1 259025691 YXMCXZGJZLWCJX-UHFFFAOYSA-N 228.339 2.985 30 20 BFED Cc1ccc(CC(=O)N[C@@H](C#N)CC(C)C)cc1 259981681 OWAZWLYAENATAZ-CQSZACIVSA-N 244.338 2.592 30 20 BFED CC[C@@H]1CCCC[C@H]1CN=C(N(C)C)N(C)C 263122859 MEITXCOLTVSLDP-OLZOCXBDSA-N 239.407 2.682 30 20 BFED CC[C@H](C#N)NC(=O)c1cc2cccc(C)c2o1 263804211 LROSWOOJFICALW-LLVKDONJSA-N 242.278 2.773 30 20 BFED CN(c1ncc(C#N)cc1Cl)C1CCC1 266111260 KCDNRMBCHOYFEP-UHFFFAOYSA-N 221.691 2.595 30 20 BFED C=C1CCN(CCc2ccc3c(c2)CCO3)CC1 266507223 CCUSNWVITPNOCU-UHFFFAOYSA-N 243.350 2.816 30 20 BFED C#CCCCN1CCC[C@@H]1C[C@@H](O)c1ccco1 271004239 GVCCDUOYTPFQHO-ZIAGYGMSSA-N 247.338 2.581 30 20 BFED C#CCN(CC)C(=O)Cc1cccc(C)c1Cl 277099615 HAXKYXYNBRKAKS-UHFFFAOYSA-N 249.741 2.673 30 20 BFED CC(=O)c1ccccc1NC(=O)CC(C)(C)C#N 278228164 JYIINALKRGMUDL-UHFFFAOYSA-N 244.294 2.768 30 20 BFED C=CCC[C@@H](NCCCOC)c1ccco1 278820421 BUXSTHWUIFBLDE-GFCCVEGCSA-N 223.316 2.913 30 20 BFED C=CC[C@@H](CC)NC(=O)c1cn(C)nc1C(C)C 281224965 DOTOYTUFRCDUPH-LLVKDONJSA-N 249.358 2.628 30 20 BFED C[C@H](CC#N)N(C)C(=O)c1ccoc1C1CC1 281393460 WZXXBIKQLWDLPP-SECBINFHSA-N 232.283 2.531 30 20 BFED C=CC[C@H](CC)NCc1cc2c(cc1O)OCO2 281487399 VUFLMLXUNJRFPU-NSHDSACASA-N 249.310 2.565 30 20 BFED C=CCC[C@H](NC(=O)C#CC)c1ccccc1 282341525 AAOQEVYJZHUIAL-AWEZNQCLSA-N 227.307 2.833 30 20 BFED C=CCCCCCN(C)Cc1ccc(OC)nn1 283127948 NGHYSOHKRFGFCR-UHFFFAOYSA-N 249.358 2.663 30 20 BFED C#C[C@@H](NCc1ccc2ncccc2c1)C(C)C 289377858 MEGMUQUQUZGRNG-OAHLLOKOSA-N 238.334 2.982 30 20 BFED C=CCN(CCC#N)c1ccc([N+](=O)[O-])cc1 291877538 ODCPNPDAUWPRIY-UHFFFAOYSA-N 231.255 2.501 30 20 BFED C=CCN(CCC#N)C(=O)c1ccc(C)cc1C 293770568 NNBFYNWKRFPCFH-UHFFFAOYSA-N 242.322 2.845 30 20 BFED C=CC(C)(C)C(=O)NCc1cccc(OC)c1 294330019 KPCIQGWSKOWCGE-UHFFFAOYSA-N 233.311 2.524 30 20 BFED N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1C=CCCC1 301609795 BPAKHUPMQPPBKN-NSHDSACASA-N 243.266 2.987 30 20 BFED C=CCOCCNc1ccc(C#N)cc1Cl 304227644 JSCPJUBJISFCCW-UHFFFAOYSA-N 236.702 2.826 30 20 BFED CC(C)CCN/C(N)=N/CCCC(C)(C)C 304753889 LMNKHNIGZYCYQL-UHFFFAOYSA-N 227.396 2.763 30 20 BFED C=CCCC(=O)Nc1ncc(Cl)s1 306269690 SVFKHNKKFGRQEO-UHFFFAOYSA-N 216.693 2.701 30 20 BFED Cc1cc(C#N)cc(NC[C@@H]2CCCOC2)c1 308106156 NFHVVVIQXQRQBG-LBPRGKRZSA-N 230.311 2.705 30 20 BFED C#CCOCCN[C@@H](C)c1ccc(Cl)cc1 309363003 AUIRQAKXSDGCRK-NSHDSACASA-N 237.730 2.640 30 20 BFED C=CC[C@@H](CC)N[C@H](CCCC)C(=O)OC 309999710 DKOWRNODHRAYIN-VXGBXAGGSA-N 227.348 2.663 30 20 BFED C[C@@H](C#N)OCCN1CCC2(CCCC2)CC1 310250122 XLXCVABSCMZRQA-ZDUSSCGKSA-N 236.359 2.571 30 20 BFED CCC(CC)CN(CC)c1cc(C#N)ncn1 310272070 IRJZCMDFHDTIDO-UHFFFAOYSA-N 232.331 2.611 30 20 BFED CCc1onc(C)c1N=C(O)N1C[C@@H]2CCC[C@H]21 328881627 LHZJIGMIQYOHIE-VHSXEESVSA-N 249.314 2.575 30 20 BFED C[C@@H]1C(=O)CC[C@@H]1C/C(O)=N/[C@@]1(C#N)CC1(C)C 330317731 QNXGLHONABWWLF-IMSIIYSGSA-N 248.326 2.640 30 20 BFED C=C[C@H](C)NC(=O)Nc1cscc1C 334870906 GAEPKIOXNGSRDS-QMMMGPOBSA-N 210.302 2.753 30 20 BFED Cc1cc(C#N)cc(N2[C@H](C)CC[C@H]2C)n1 335087305 PDGJVHZVQLPYMS-GHMZBOCLSA-N 215.300 2.639 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@@H]1C=CCCC1 335090969 MYYMOBUGHQMQHR-LLVKDONJSA-N 207.317 2.814 30 20 BFED C[C@H](CC#N)N(C)C(=O)[C@H]1CC2CCC1CC2 335622436 MHYIPRJEFFJIND-XVSSEFHLSA-N 234.343 2.573 30 20 BFED C=CC1CCN(C(=O)C(C)(C)C2CC2)CC1 335810719 DLOLQHJIPMWZES-UHFFFAOYSA-N 221.344 2.847 30 20 BFED C=C[C@H](C)NC(=O)c1cc2cc(F)ccc2[nH]1 335845988 VZQXPKHBBXWQAP-QMMMGPOBSA-N 232.258 2.611 30 20 BFED C[C@@H]1CCN(C(=O)C2(C#N)CCCC2)CC1(C)C 336003309 IRIXSZPWEDIQLY-GFCCVEGCSA-N 248.370 2.965 30 20 BFED CC(C)C[C@H]1CCCCN1C(=O)[C@H](C)C#N 336562284 NAIGGQJCNORAET-VXGBXAGGSA-N 222.332 2.573 30 20 BFED C=CCC(C)(C)CN[C@@H]1C[C@H](C)N(C)C[C@H]1C 336664127 XGKZFFJQRHOIOJ-HZSPNIEDSA-N 238.419 2.907 30 20 BFED N#Cc1ccc(N[C@@H]2CCC[C@@H]2F)c(F)c1 338844240 QBZWMADKWIDJHO-GXSJLCMTSA-N 222.238 3.000 30 20 BFED C=CCOCc1nc(CC2CCCC2)no1 340930989 UDBZKERRWVZFKQ-UHFFFAOYSA-N 222.288 2.505 30 20 BFED C=CCCN(C)C(=O)c1ccc(C2CC2)cn1 342503494 GTWSNLPVKBLXRK-UHFFFAOYSA-N 230.311 2.607 30 20 BFED N#CCCCNC(=O)CCCC1CCCC1 342650398 JECZVSAICRJYDO-UHFFFAOYSA-N 222.332 2.767 30 20 BFED C=C(CC)COc1ccc(-c2ncn(C)n2)cc1 344401115 SQKMEDHUOCELQM-UHFFFAOYSA-N 243.310 2.827 30 20 BFED C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)C1 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BFED C#C[C@@H](NCc1ccc(C)nc1)C(C)(C)C 381535109 DZFMNGQVSQHYIB-CYBMUJFWSA-N 216.328 2.528 30 20 BFED CC[C@@](C)(C#N)C(=O)N[C@@H](C)CC(C)(C)C 384629893 JVFASYASSXVOTQ-GWCFXTLKSA-N 224.348 2.867 30 20 BFED CC[C@@H]1C[C@H]1CNc1snc(C)c1C#N 387770026 BTLPGXIYAVZHQA-BDAKNGLRSA-N 221.329 2.781 30 20 BFED CCC[C@H](C#N)NC(=O)CC(C1CC1)C1CC1 400781369 HHTLZIMYLPJWFW-GFCCVEGCSA-N 234.343 2.621 30 20 BFED N#Cc1ccc(CNC2CC=CC2)cc1F 403983505 BLMZNQWLVRVWOX-UHFFFAOYSA-N 216.259 2.506 30 20 BFED C[C@H]1C[C@]1(C#N)C(=O)N(C)[C@H](C)C1CCCCC1 410847343 WDNWNNPKXQOMPN-YWPYICTPSA-N 248.370 2.963 30 20 BFED C=CCCCN(CCC)[C@H](C)C(=O)OCC 411640187 BSCIUWXYGHMADH-GFCCVEGCSA-N 227.348 2.616 30 20 BFED C=CC[C@H](CO)CN[C@@H](CCC)[C@H]1CC1(C)C 417313732 WUNUJNKHMHWNFI-MJBXVCDLSA-N 239.403 2.975 30 20 BFED CCc1cc(C#N)ccc1OCC[C@H]1CCOC1 418995756 MQHJFWVFODQKKR-GFCCVEGCSA-N 245.322 2.926 30 20 BFED C[C@@H]1CCCC[C@@H]1C(=O)N(CCC#N)CC1CC1 424646916 PYLLZJTVGGFGPT-OCCSQVGLSA-N 248.370 2.965 30 20 BFED C=C(C)C(C)(C)C(=O)NC[C@@](C)(CC)OC 424859209 CUZYLDUMSHAKAP-CYBMUJFWSA-N 227.348 2.520 30 20 BFED C=CCCCN1CCN(C2CCC2)C[C@@H](C)C1 429386408 PHQQFCPQJXPLOJ-AWEZNQCLSA-N 236.403 2.759 30 20 BFED CS[C@@H]1CCCCN([C@@H]2CC[C@@H](C#N)C2)C1 429685439 MKHSDNNSJIDYAS-JHJVBQTASA-N 238.400 2.896 30 20 BFED C=C(C)CCNCc1cccc(OCCOC)c1 449477489 OZMZGSICQTVVOQ-UHFFFAOYSA-N 249.354 2.768 30 20 BFED C=C[C@@H]1OCC[C@H]1NC[C@@H]1C(C)=CCC[C@H]1C 449520801 QIVGVQZSPTYMPT-TUVASFSCSA-N 235.371 2.912 30 20 BFED N#C[C@@H]1CC[C@H](S[C@@H]2CCCOC2)C1 450894122 FBIXNNWCPSUKGX-OUAUKWLOSA-N 211.330 2.591 30 20 BFED C=C(CC)CNC(=O)c1cc2c(s1)CCC2 453009272 GBBLEPXSTJZREW-UHFFFAOYSA-N 235.352 2.933 30 20 BFED C=CCC[C@@H](CO)NC(=O)[C@@](C)(CC)CCC 456757174 AKZWWXZXSIKZNT-JSGCOSHPSA-N 241.375 2.646 30 20 BFED C=C(C)CN(CC)C(=O)C1(COC)CCCC1 457438857 QIQBNVDOGKFKNQ-UHFFFAOYSA-N 239.359 2.618 30 20 BFED CC(C)CCCCC(=O)N(C)[C@@H](C)CC#N 457519117 FFTHKFJOJILCTF-LBPRGKRZSA-N 224.348 2.963 30 20 BFED C=C(C)Cn1c(C)nnc1N1C[C@@H](C)C[C@H]1CC 460393275 IJYJJLNSRLBYPS-WCQYABFASA-N 248.374 2.787 30 20 BFED CCC[C@H](C(=O)N[C@@H](C#N)C(C)C)C(C)C 463837731 UOWJBRLNXOUTDI-RYUDHWBXSA-N 224.348 2.723 30 20 BFED CC[C@@H](CC(=O)N[C@@]1(C#N)CC1(C)C)C(C)C 484905741 FYNLOCWDVILZDY-SMDDNHRTSA-N 236.359 2.867 30 20 BFED C=CCn1cccc1C(=O)N[C@@H](C)CC(C)C 489047243 UKDJMKZVCSPDQJ-LBPRGKRZSA-N 234.343 2.839 30 20 BFED C#C[C@H](C)N(C)C(=O)[C@H](F)CC1CCCCC1 490712053 CUNSTICYSOQXAV-WCQYABFASA-N 239.334 2.775 30 20 BFED C#C[C@@H](CC)NC(=O)CCCCC(C)C 491659807 CUABYRREHNLXAC-LBPRGKRZSA-N 209.333 2.731 30 20 BFED C=CCC1(CNC(=O)/C=C/OCC)CCCC1 492954628 IONBKMTXEXOMAL-YRNVUSSQSA-N 237.343 2.789 30 20 BFED CC[C@@H](C#N)NC(=O)C[C@H]1CCCC[C@@H]1C 547814096 AOZXAIOXMLIPMJ-TUAOUCFPSA-N 222.332 2.621 30 20 BFED C=CCOCCCN(C)c1ccc(F)c(F)c1 548750834 PUQUOZQOVIFIAG-UHFFFAOYSA-N 241.281 2.994 30 20 BFED N#CCCSCc1ccc(F)cc1[N+](=O)[O-] 568770274 QNJMLLXXPMELKU-UHFFFAOYSA-N 240.259 2.881 30 20 BFED CCCOc1cccc(NC(=O)[C@@H](C#N)CC)c1 593402353 GSAWWJPMCGPUGA-LLVKDONJSA-N 246.310 2.964 30 20 BFED CC[C@H](C#N)C(=O)N1CC[C@H](C2CCCC2)C1 593746465 CKOIIILHPYYKFF-YPMHNXCESA-N 234.343 2.575 30 20 BFED CC[C@@H]1CCCN(Cc2ccc(C#N)cn2)CC1 593958191 QZSCRBGQJQIZKK-CYBMUJFWSA-N 243.354 2.965 30 20 BFED C=CCCNc1cc(C)c([N+](=O)[O-])cc1C#N 596407915 CRPKAGINWAGASF-UHFFFAOYSA-N 231.255 2.763 30 20 BFED CC(C)(F)CCNc1cc(C#N)ccn1 596468527 KORROAOTSAVPNN-UHFFFAOYSA-N 207.252 2.503 30 20 BFED N#Cc1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]32)s1 597829541 NXQAMYZZNUKUKI-ONGXEEELSA-N 246.335 2.634 30 20 BFED CCC(C#N)(CC)C(=O)N1CC[C@H](C2CCC2)C1 600031591 YLYBHCIJBYXHAP-ZDUSSCGKSA-N 248.370 2.965 30 20 BFED CC[C@](C)(C#N)C(=O)Nc1cc(C)cc(C)c1O 601839786 OJKPKCDRANJKSW-CQSZACIVSA-N 246.310 2.887 30 20 BFED Cc1noc(C)c1C[C@@H](C)NC[C@H](C)CCC#N 618887535 BSLHGDFMWZNYQI-GHMZBOCLSA-N 249.358 2.752 30 20 BFED C=CCCC(C)(C)NC(=O)[C@@H](N)CCC(C)C 638429867 BKLVKIXYRFWMRK-LBPRGKRZSA-N 240.391 2.611 30 20 BFED C=C(C)CN(C)C(=O)c1c[nH]cc1C1CC1 640085746 BICASPUNDYQCEH-UHFFFAOYSA-N 218.300 2.540 30 20 BFED C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2C[C@H]21 644718478 GXPASIFFAKGCOT-GHMZBOCLSA-N 207.317 2.600 30 20 BFED C=CCCCC(=O)NCc1cccc(C(C)=O)c1 655100471 ZZESNERONLHMPQ-UHFFFAOYSA-N 245.322 2.862 30 20 BFED C=CCCN(C)Cc1cnc2ccccc2n1 660401629 RKGFPHDSTSUVEB-UHFFFAOYSA-N 227.311 2.638 30 20 BFED C=CCC(C)(C)CNC(=O)N1CC[C@@H]2C[C@H]2C1 661232804 MZKQRIMGSUFEPJ-NEPJUHHUSA-N 236.359 2.640 30 20 BFED C=CCN(CC[C@@H]1CCCN1C)C(C)(C)C 661760272 OTYBGZKYRJLKRN-ZDUSSCGKSA-N 224.392 2.757 30 20 BFED Cc1ccc(CN[C@H](C)CC(C)(C)C#N)cn1 695810254 LZFPFHKWONHJFA-GFCCVEGCSA-N 231.343 2.808 30 20 BFED C#C[C@H](NCc1cccc(OC)c1)C(C)(C)C 702284422 FWEJDXRERXHSJY-AWEZNQCLSA-N 231.339 2.833 30 20 BFED CC(=NNc1cccnn1)c1ccc(C)cc1 735973867 VDNUVEFGCKAHDK-UHFFFAOYSA-N 226.283 2.621 30 20 BFED c1cnnc(NN=C2CCCCCC2)c1 735977021 PVHBTEKCOOBUOF-UHFFFAOYSA-N 204.277 2.599 30 20 BFED N#CCCCOC(=O)c1cc2occc2s1 736893596 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N#CCOc1cccc(/C=C\c2ccncn2)c1 766689655 INPBNYWGUCHCPC-PLNGDYQASA-N 237.262 2.549 30 20 BFED C#CCCCN1CCC[C@@H]1c1cc(C)on1 766895401 KQZPFDRUSSJVBE-CYBMUJFWSA-N 218.300 2.533 30 20 BFED C#CCC(C)(C)C(=O)O[C@@H](C)c1cccnc1 767651588 DKAZWDIZTUTPEY-NSHDSACASA-N 231.295 2.735 30 20 BFED COc1ccc(NN=C(C)c2cscn2)cc1 767901653 VWLBIFLBIBBTNG-UHFFFAOYSA-N 247.323 2.988 30 20 BFED COC(=O)c1ccccc1C=NOC1CCCC1 774603411 SCHMPTKROIOVPC-UHFFFAOYSA-N 247.294 2.766 30 20 BFED Cc1ccc(NN=Cc2c(Cl)cnn2C)cc1 780186533 KJZPNJRLYFNTJR-UHFFFAOYSA-N 248.717 2.828 30 20 BFED CC(=NN[C@@H](C)C(C)(C)C)c1ccnc(O)c1 793113744 CBZJGLIAPKRSCI-JTQLQIEISA-N 235.331 2.535 30 20 BFED CCC1(C=NOCCSC)CCOCC1 794573784 KDWTVLPIVQRSEV-UHFFFAOYSA-N 231.361 2.559 30 20 BFED COCCCON=C(C)Cc1cccc(F)c1 795049176 ZOVHRRBTQKQUKQ-UHFFFAOYSA-N 239.290 2.797 30 20 BFED C=CCCC(=O)COC(=O)C(C)(C)CC=C 796463633 SFCBGILTASRRFA-UHFFFAOYSA-N 224.300 2.667 30 20 BFED C/C(=C/Cl)CSc1ccc(C#N)nn1 797829208 CHSUGBPBBQNMRR-DAXSKMNVSA-N 225.704 2.583 30 20 BFED CCCN(CC)C(=O)c1ccc(C)c(C#N)c1 799307736 STWAPKGPJFZFAV-UHFFFAOYSA-N 230.311 2.739 30 20 BFED Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)C2)cc1C#N 799372743 ZSAJGFRXFNQQAY-QMTHXVAHSA-N 242.322 2.785 30 20 BFED CC#CCCOC(=O)[C@@H]1CCCC(F)(F)C1 800281050 CHCUOXBCWBWXLY-SNVBAGLBSA-N 230.254 2.769 30 20 BFED C[C@@H]1CC[C@@H](C=NO[C@@H]2CCCCO2)C1 800815334 UMLKTNRQIFWYAQ-IJLUTSLNSA-N 211.305 2.952 30 20 BFED Cc1ccc([C@H](C)N(C)CCO[C@@H](C)C#N)cc1 801915165 OGSONFHWTLJHAY-KBPBESRZSA-N 246.354 2.917 30 20 BFED CCC[C@]1(C)CCCN(CCO[C@H](C)C#N)C1 801925248 JGILATLNRHOKDK-ZIAGYGMSSA-N 238.375 2.817 30 20 BFED C#C[C@@H](C)NCc1cc(Cl)cc2cccnc12 809683381 BNBCLPCFARCPDO-SNVBAGLBSA-N 244.725 3.000 30 20 BFED C#C[C@@H](C)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 809684255 UXLNIEJZWJNULZ-LLVKDONJSA-N 246.310 2.830 30 20 BFED C#CCCN(C[C@H]1CCC[C@H](C)C1)OC 810135844 USHYQEMKVOTLQA-STQMWFEESA-N 209.333 2.699 30 20 BFED COCCC(C)=NNc1cccc(OC)c1 814778472 HGKJHKLTTLKZCC-UHFFFAOYSA-N 222.288 2.520 30 20 BFED 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IIFFAALFMLLYNF-LBPRGKRZSA-N 248.395 2.830 30 20 BFED CC#CCOc1cc(Cl)ccc1[N+](=O)[O-] 78964712 KYMSQOINCOSKBU-UHFFFAOYSA-N 225.631 2.650 30 20 BFED Cc1cncc(NC(=O)c2cc(C#N)cs2)c1 84190693 WOPZWCHWCLZJLX-UHFFFAOYSA-N 243.291 2.576 30 20 BFED CC[C@@H](C#N)C(=O)NC(CC)(CC)CC 86643692 UVZSTOPTPNBMQV-JTQLQIEISA-N 210.321 2.621 30 20 BFED C=CCCOc1cc(F)cc([N+](=O)[O-])c1 87799906 DEXQPIWDIVOSOX-UHFFFAOYSA-N 211.192 2.689 30 20 BFED C=C(C)COCCN[C@@H](C)c1ccc(C)o1 90450847 OJPSMKVIEUKVNO-LBPRGKRZSA-N 223.316 2.831 30 20 BFED N#CCN1CC=C(c2ccccc2Cl)CC1 91840874 UCSGCZQPUPCGNC-UHFFFAOYSA-N 232.714 2.953 30 20 BFED CC(C)CN(Cc1ccc(C#N)o1)C1CC1 92008938 QWQQSQLKHWEBSZ-UHFFFAOYSA-N 218.300 2.772 30 20 BFED Cc1cc(F)ccc1CN(C)[C@@H](C)CC#N 93090828 WIYFTNPXRLABFO-NSHDSACASA-N 220.291 2.868 30 20 BFED C=CCNC(=O)N[C@@H](C)CCCCCC 97206203 LYRKBQSIDQRJAZ-NSHDSACASA-N 212.337 2.831 30 20 BFED C=C(Cl)CSc1nc(=O)ccn1C(C)C 105577222 PLZXKRCNCHDGPV-UHFFFAOYSA-N 244.747 2.669 30 20 BFED C=CCCO[C@H](C)C(=O)N1CCCC(C)(C)C1 112683572 CSAWNYHAKPYQJW-GFCCVEGCSA-N 239.359 2.616 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccccc1COC 116862922 CZTDOSLZBVAPHW-LLVKDONJSA-N 233.311 2.527 30 20 BFED C=CCC[C@H](CC)NCCOCC(=C)C 119157649 RGVLKRJCRLXKKU-ZDUSSCGKSA-N 211.349 2.914 30 20 BFED C#CCCCCC(=O)N[C@@H](CC)c1ccncc1 119897885 MYABJQKFRSYMQM-AWEZNQCLSA-N 244.338 2.843 30 20 BFED C#CCOC(=O)C[C@H](CC)c1ccc(OC)cc1 120614543 FCSHMLXZJXBNAH-LBPRGKRZSA-N 246.306 2.755 30 20 BFED CC[C@@H](C#N)OC(=O)[C@H](C)c1ccccc1 126796634 PSVIKNVTFHXGCJ-PWSUYJOCSA-N 217.268 2.635 30 20 BFED C[C@@H](NCCCC#N)c1ccc(F)c(F)c1 128376049 NCHMUCAJSNBTDE-SECBINFHSA-N 224.254 2.919 30 20 BFED C=C[C@H](C)NC(=O)N1CCC[C@H]1c1ccncc1 128525260 LIJFRYMVPIRSPD-AAEUAGOBSA-N 245.326 2.503 30 20 BFED C#CC(C)(C)NC(=O)c1cccc(C)c1Cl 129156259 NKGWTWPTZNMCKP-UHFFFAOYSA-N 235.714 2.790 30 20 BFED CCC(CC)CNc1ccc(C#N)nc1 129590455 LFYWMAAIXTYQPK-UHFFFAOYSA-N 203.289 2.801 30 20 BFED CCc1cc(CC)n(Cc2ccc(C#N)cc2)n1 130293032 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C=CCC(CC=C)C(=O)OCc1ncc(C)o1 156769894 CZHSDSZWFCZPKZ-UHFFFAOYSA-N 235.283 2.795 30 20 BFED CC(C)CCNc1ccc([N+](=O)[O-])c(C#N)c1 157492474 YGJNUSDNLVSNBC-UHFFFAOYSA-N 233.271 2.924 30 20 BFED CN(Cc1ccco1)Cc1cc(F)ccc1C#N 158049536 DOHVNTREQQBHDE-UHFFFAOYSA-N 244.269 2.922 30 20 BFED C=CCCC(=O)N(C)[C@@H](CCO)c1ccccc1 158454011 KGOVWPOROFLORP-AWEZNQCLSA-N 247.338 2.535 30 20 BFED C=CCNC(=O)CSCc1ccc(C)c(C)c1 158906207 PRWDFIIAZFONPN-UHFFFAOYSA-N 249.379 2.839 30 20 BFED C=CCN(C)C(=O)C[C@@H](C)c1ccc(F)cc1 161526456 UYDXZAVPERSHJO-LLVKDONJSA-N 235.302 2.964 30 20 BFED C=C(C)CN[C@@H](C)c1cc(OC)ccc1O 163177344 FMDGSHOLAALHEG-JTQLQIEISA-N 221.300 2.628 30 20 BFED CCN(CC)Cc1ccc(C#N)cc1C 165428458 VMCMLSBPKSDCSY-UHFFFAOYSA-N 202.301 2.709 30 20 BFED C=CCCN[C@@H](C)c1nc(C)sc1C 168527866 WZQOFHUYVBINQL-QMMMGPOBSA-N 210.346 2.987 30 20 BFED CO[C@@H](C)CN(Cc1ccc(C#N)cc1)C(C)C 172669466 IFOLBFCFEPNBSZ-ZDUSSCGKSA-N 246.354 2.804 30 20 BFED C=CCCCC(=O)NCc1nc(C)c(C)s1 176249391 KWGUNJAPIHTVPN-UHFFFAOYSA-N 238.356 2.732 30 20 BFED C=CC[C@@H](C)NC(=O)N(C)c1ccc(F)cc1 176680546 JQGWAQQPFNAHRO-SNVBAGLBSA-N 236.290 2.936 30 20 BFED C#CCCCN[C@H](C)c1ccc(OC)cc1OC 178060413 BUXUMLJRHTYWNL-GFCCVEGCSA-N 247.338 2.768 30 20 BFED C#CCCOc1c(Cl)cccc1[N+](=O)[O-] 179276923 PCKPYJICVMJCLF-UHFFFAOYSA-N 225.631 2.650 30 20 BFED C=CCOC(=O)CO[C@@H]1CCCC[C@@H]1CC 184246678 ONPWZBLKWBOMSA-NWDGAFQWSA-N 226.316 2.701 30 20 BFED CC(C)(C)[C@@H](C#N)OC(=O)c1cc(C#N)cs1 184927125 GMDJKEMFUGVEIQ-SNVBAGLBSA-N 248.307 2.715 30 20 BFED CC#CCCCC(=O)N[C@H](CCCC)COC 185617151 YXMSELLNODPXIW-CYBMUJFWSA-N 239.359 2.501 30 20 BFED C#C[C@@H](C)NC(=O)N[C@H](C)c1cccc(C)c1C 186051284 AFXBZQHVJBUJRT-DGCLKSJQSA-N 244.338 2.685 30 20 BFED C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1noc(C)n1 191218594 FNMBRADUBIBKBL-UFBFGSQYSA-N 238.287 2.585 30 20 BFED C#CCCCCNCc1cccc(OC)c1F 193924632 ATBHJBUZJNLXGH-UHFFFAOYSA-N 235.302 2.727 30 20 BFED C=CCC[C@@H](C)NCC1(C)CCN(C)CC1 230672028 HKYPUJRVUXZLNL-CYBMUJFWSA-N 224.392 2.663 30 20 BFED 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2.675 30 20 BFED Oc1cccc(C=NOCc2ccccc2)c1O 839419559 PQOAXJPDBCFJGK-UHFFFAOYSA-N 243.262 2.649 30 20 BFED C[C@@H](O)CN(C)N=C1CCC[C@@H]1c1ccccc1 841649743 AOEFLGLBZVRWPF-TZMCWYRMSA-N 246.354 2.623 30 20 BFED CC(C)[C@@H](C=NN(C)C[C@H](C)O)c1ccccc1 841652447 XDBXWSQQWPLOCT-DZGCQCFKSA-N 248.370 2.725 30 20 BFED C=C[C@H](C)NC(=O)c1ccc2c(c1)CC(C)(C)O2 843565407 MPSJKFXUDUAYPL-JTQLQIEISA-N 245.322 2.704 30 20 BFED C#C[C@H](NC(=O)C1(F)CCCC1)c1ccccc1 843643246 QJDPKGCBRGEPOA-ZDUSSCGKSA-N 245.297 2.759 30 20 BFED C=CCN(Cc1cc2n(n1)CCCC2)C(C)C 844279020 SHLLXDLROVNBHS-UHFFFAOYSA-N 233.359 2.616 30 20 BFED C=CCCCC(=O)N1Cc2ccc(OC)cc2C1 847204999 ILNBSKDCNBIDML-UHFFFAOYSA-N 245.322 2.894 30 20 BFED C=CCNC(=N)NCc1cc(C2CC2)ccc1F 849034265 PQOHDDUNWUESPL-UHFFFAOYSA-N 247.317 2.503 30 20 BFED C=CC(C)(C)CCOC(=O)COCCC 851299089 ABSNZOYJZZEPJH-UHFFFAOYSA-N 214.305 2.559 30 20 BFED C#CCOCCSc1ccc(OCC)cc1 853014419 KDCBWVQPGLZHPG-UHFFFAOYSA-N 236.336 2.827 30 20 BFED Cc1cc(C)cc(CC(=O)O[C@H](C)CC#N)c1 853106915 LHUZIBYFUGZMLM-GFCCVEGCSA-N 231.295 2.691 30 20 BFED Clc1cc(NN=CC[C@H]2CCOC2)ccn1 853395002 HMPJAXSSQHVJNC-VIFPVBQESA-N 239.706 2.559 30 20 BFED COCCC(C)=NNc1ccc(Cl)cn1 853435479 QBXJCLOHWXQZDG-UHFFFAOYSA-N 227.695 2.559 30 20 BFED CC(C)C#CC(=O)N[C@H](C)c1ccsc1 854368081 LDECFXUPXQDELE-SNVBAGLBSA-N 221.325 2.585 30 20 BFED C=CCCCCCCCNC(=O)[C@@](C)(O)C=C 854500705 YWBRVRCTVRNJAN-AWEZNQCLSA-N 239.359 2.566 30 20 BFED CCC/C(C)=C\C(=O)N1CCC[C@@H](CC#N)C1 855254388 JLAGFSQDRDSMOW-UKVQZPPCSA-N 234.343 2.885 30 20 BFED C=CCONC(=O)[C@H](CCCC)C(C)C 857282235 RNTSHERIVRRYON-LLVKDONJSA-N 213.321 2.683 30 20 BFED CCCCCCCNC(=O)c1cccc(C#N)n1 862355479 JPLAUGCSPDCDNB-UHFFFAOYSA-N 245.326 2.653 30 20 BFED C=C[C@@H](C)NC(=O)/C=C\CCc1ccccc1 866502441 FXADYLSCEVZMPF-LLBKUYECSA-N 229.323 2.866 30 20 BFED C=CCCCCNC(=O)c1cnc(F)cc1C 867472749 ZBTIHAROQUTHDK-UHFFFAOYSA-N 236.290 2.615 30 20 BFED C[C@H]1CC[C@H](NC(=O)c2ccccc2CC#N)C1 867647199 SCZXHUGSNPUNJX-AAEUAGOBSA-N 242.322 2.671 30 20 BFED CC1(C)CC[C@H]1NC(=O)c1ccccc1CC#N 868333581 KFHFLIHRQRVIQU-CYBMUJFWSA-N 242.322 2.671 30 20 BFED C#CCCCCCOC(=O)c1cnn(CC)c1C 869848146 TYKNHFDITCWCBP-UHFFFAOYSA-N 248.326 2.562 30 20 BFED CC[C@H](C)NN=Cc1cc2c([nH]1)CCCC2 872368833 QWWOAFHICNQIFJ-JTQLQIEISA-N 219.332 2.616 30 20 BFED C=C[C@H](C)ON=Cc1cccc([N+](=O)[O-])c1C 872387129 MOQCCKJMAJIOIJ-VIFPVBQESA-N 234.255 2.828 30 20 BFED C#CCCCCCCN[C@H]1CN(C2CC2)C[C@@H]1C 877095240 PZTITVOQTQMLNQ-HOCLYGCPSA-N 248.414 2.642 30 20 BFED CC[C@@]1(C)CCN(c2ccc(C)nc2C#N)C1 882084808 IAXCGDHXDBLWGL-AWEZNQCLSA-N 229.327 2.888 30 20 BFED C=CC[C@H](CC)NCc1ccc2oc(=O)oc2c1 883109754 CFPVFTLNAASWKM-NSHDSACASA-N 247.294 2.830 30 20 BFED CC[C@](C)(C#N)C(=O)N(C)c1ccsc1 892555341 JZFLKJWTEVLBRR-LLVKDONJSA-N 222.313 2.651 30 20 BFED C=CC[C@H](C)NCc1ccc(C(=O)OC)c(C)c1 892951094 RTHLXFKEBRUDQQ-LBPRGKRZSA-N 247.338 2.836 30 20 BFED C=CC1(OC(=O)CCc2ccccc2OC)CC1 893365327 COPSUUMUTJPPBJ-UHFFFAOYSA-N 246.306 2.890 30 20 BFED C=CCCOc1cn(C(C)C)nc1C(C)=O 902625222 GMLHUYXXJKGYEN-UHFFFAOYSA-N 222.288 2.622 30 20 BFED C=CCCCN(CC)[C@@H](C(=O)O)[C@H](C)CC 903961443 WOJRKSCJFIZDJH-VXGBXAGGSA-N 227.348 2.774 30 20 BFED C#CCCCCCC(=O)N1CCC[C@H]1C(=O)CC 909354620 YBBGFILSWSRDKA-ZDUSSCGKSA-N 249.354 2.540 30 20 BFED C=C(C)CNC(=S)N(CCC(C)C)C1CC1 914561659 NPSSJLVADFNRDS-UHFFFAOYSA-N 240.416 2.948 30 20 BFED O=C(NO)c1cc2ccccc2c2cccnc12 915827381 ABBAOEIJKYKCHI-UHFFFAOYSA-N 238.246 2.507 30 20 BFED Cc1cccc(NN=Cc2ccc(O)c(O)c2)c1 916255217 KHDHYWZORKKCRF-UHFFFAOYSA-N 242.278 2.852 30 20 BFED CC(=NNCc1ccccc1)c1ccc(O)cc1 916343711 CDHKCSHKYMPSME-UHFFFAOYSA-N 240.306 2.906 30 20 BFED C=CCN(CCOc1ccc(OC)cc1)C(C)C 917069486 PFYXVERKSVGPLJ-UHFFFAOYSA-N 249.354 2.970 30 20 BFED CCCCNN=C1CCc2c(F)cccc21 921258001 DUVNGVBNXXKJFZ-UHFFFAOYSA-N 220.291 2.866 30 20 BFED COc1ccc(COC(=O)CCCC#N)cc1C 922743245 OZOGIUYCWVHVRY-UHFFFAOYSA-N 247.294 2.741 30 20 BFED C#Cc1ccc(NC(=O)N2CC[C@H](C)C2)cc1 934935055 KTBLYCUHMBVZDN-NSHDSACASA-N 228.295 2.542 30 20 BFED CC[C@H](OC)c1nnc(-c2ccc(C#N)cc2)o1 1117214501 SULWBFOMEGTWGF-NSHDSACASA-N 243.266 2.706 30 20 BFED CC(C)(C)ON=C1CCO[C@@H](C(F)(F)F)C1 1117704223 RJNJDFSVDXVBMH-MRVPVSSYSA-N 239.237 2.899 30 20 BFED O=C(CC#Cc1ccccc1)NCCC1CCC1 1119291542 PPEPSDRZCJPHBS-UHFFFAOYSA-N 241.334 2.735 30 20 BFED C=CCCC(=O)Nc1ccc(C)nc1Cl 1121177781 CPOJEFSGXCYSGA-UHFFFAOYSA-N 224.691 2.948 30 20 BFED C/C(=C\C(=O)O[C@H](C#N)C1CC1)c1cccs1 1122655569 PPOQPCUYYXAAPM-MXMFLMJRSA-N 247.319 2.997 30 20 BFED C=CCCC(=O)NCc1ccc2c(c1)CCC2 1318174724 NTBBCICFTPDZHL-UHFFFAOYSA-N 229.323 2.758 30 20 BFED C#Cc1ccc(NCC2(OC)CCCCC2)nc1 1337938150 AYTSLDXGEVXIKV-UHFFFAOYSA-N 244.338 2.824 30 20 BFED N#Cc1cc(Cl)ncc1NC(=O)C1CC=CC1 1340722392 JZKDGFGAOQIGCI-UHFFFAOYSA-N 247.685 2.511 30 20 BFED C#CCN(Cc1scnc1C1CC1)CC1CC1 1343993130 BVWOOOREMBZJDR-UHFFFAOYSA-N 246.379 2.866 30 20 BFED C=C(C)CCC(=O)OCc1ccns1 1344062232 LVIGSVBHXZBZHJ-UHFFFAOYSA-N 211.286 2.543 30 20 BFED C=CCCC(=O)OC[C@H]1C[C@@]1(C)Br 1345128149 YJFUVVKAZCZROE-PSASIEDQSA-N 247.132 2.669 30 20 BFED C#Cc1cccc(NC(=O)[C@@H]2[C@@H](C)C2(F)F)c1 1346250391 IJHFMILWRHFMPL-KCJUWKMLSA-N 235.233 2.508 30 20 BFED C#CCCCCC(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 1352171849 UEEAJVFAFULEKB-MELADBBJSA-N 231.339 2.508 30 20 BFED N#CC1(CN[C@H]2CCCc3ncccc32)CCC1 1353933754 ZFONYVAPOJCFNM-AWEZNQCLSA-N 241.338 2.742 30 20 BFED C=C(C)Cn1c([C@@H]2C[C@@H]2C)nnc1N(CC)CC 1356331549 YAZLUOQOCBQIMD-NWDGAFQWSA-N 248.374 2.824 30 20 BFED CC[C@H](C#N)N(CC)C(=O)c1cscc1C 1518551536 UWZRMQWKRAFCCL-SNVBAGLBSA-N 236.340 2.821 30 20 BFED C=CC[C@H](C(=O)O)N(C)Cc1cccc(C)c1C 1588729667 SPZNSCVZFLIMLX-CQSZACIVSA-N 247.338 2.765 30 20 BFED C=CC[C@H](Nc1ccc(Cl)cc1)C(=O)O 1588749923 AFPQRCVBQSBLCY-JTQLQIEISA-N 225.675 2.781 30 20 BFED N#C[C@H]1CC[C@@H](N[C@@H]2CCC23CCCC3)C1 1652707323 KDQSYEJFXYVNLD-YNEHKIRRSA-N 218.344 2.991 30 20 BFED CON=C(C)c1sc2ccccc2c1C(=O)O 1776034899 JAXILXPMYSMRKV-UHFFFAOYSA-N 249.291 2.970 30 20 BFED C=CCC[C@@H]1CCC(=NN[C@@H](CC)C(=O)O)C1 1776068207 UGVLKJRHYNGGEL-PWSUYJOCSA-N 238.331 2.562 30 20 BFED C=C1CC(CN[C@@H](C(=O)O)c2ccccc2F)C1 1776145092 PKMUGDYLGRSKAC-CYBMUJFWSA-N 249.285 2.507 30 20 BFED C=CC[C@@]1(C(=O)O)CCCN(CC(=C)CC)C1 1776154482 CYSLEIHYHSBPCZ-CQSZACIVSA-N 237.343 2.696 30 20 BFED C=CC[C@]1(C(=O)O)CCN(CCC=C(C)C)C1 1776160637 ODIGGGWEUSFWOK-AWEZNQCLSA-N 237.343 2.696 30 20 BFED C=CCCCN1[C@@H](C)[C@H](C(=O)O)CC[C@H]1C 1776174442 GPTXEMMYJOUILN-GRYCIOLGSA-N 225.332 2.526 30 20 BFED COc1ccc(Nc2cc(C#N)ccn2)cc1 19480779 XZVSMHRJLWCGCW-UHFFFAOYSA-N 225.251 2.705 30 20 BFED C=CCNC(=O)N[C@H](CC)c1ccc(OC)cc1 22382766 WMEVVFZHJPAPSQ-CYBMUJFWSA-N 248.326 2.632 30 20 BFED C[C@@H]1CCCN1CCCOc1ccc(C#N)cc1 37910783 RQZDSZLTWTXRCH-CYBMUJFWSA-N 244.338 2.811 30 20 BFED CC[C@](C)(C#N)NC(=O)c1cc2ccccc2o1 40357348 HZEHODZJONDIDY-CQSZACIVSA-N 242.278 2.855 30 20 BFED C[C@@H](C#N)CN(C)Cc1cccc2cccnc12 42324393 GDRWNTJCSMFEIH-LBPRGKRZSA-N 239.322 2.826 30 20 BFED CC[C@H](C#N)Nc1ccccc1COC 43541246 KCQSXXVVOAUMDY-LLVKDONJSA-N 204.273 2.547 30 20 BFED CCN(CC#N)Cc1ccc(F)cc1Cl 45061111 DIZBOGGUTWGGCN-UHFFFAOYSA-N 226.682 2.825 30 20 BFED Cc1ccc(CNC(=O)C2(C#N)CCCC2)s1 45935635 WOROIJJEUWMZAH-UHFFFAOYSA-N 248.351 2.757 30 20 BFED CC[C@H](CC#N)NCc1ccc(F)c(F)c1 49577708 LEGPUWADCIJFGX-SNVBAGLBSA-N 224.254 2.747 30 20 BFED CC1CCC(N[C@H]2CCC[C@@H]2C#N)CC1 54823844 ITRWESVBKZPRRH-KPFVRQRISA-N 206.333 2.847 30 20 BFED Cc1cc(NC(=O)C2(C#N)CCCCC2)ccn1 66312013 RLXRKJALHIXQKI-UHFFFAOYSA-N 243.310 2.803 30 20 BFED N#Cc1cccc(NCc2cccc(F)c2)n1 80117682 MLQTURZNRUHAJD-UHFFFAOYSA-N 227.242 2.704 30 20 BFED C#Cc1cccc(NCC[C@H]2CCCO2)c1 83525993 VKSPNZXMJSZZJN-CQSZACIVSA-N 215.296 2.649 30 20 BFED N#Cc1ccc(C[S@](=O)c2cccs2)cc1 84262458 PWFLEMAWVRMGOM-MRXNPFEDSA-N 247.344 2.928 30 20 BFED C#CCNc1cc(N2CCCC2=O)ccc1Cl 85277268 ABAZGFABIYDCMO-UHFFFAOYSA-N 248.713 2.512 30 20 BFED N#CC1(c2ccccc2)CC(NC2CCC2)C1 86037973 NYPPADXFFXYWJY-UHFFFAOYSA-N 226.323 2.752 30 20 BFED N#CCC1(CN2Cc3ccccc3C2)CC1 88259474 QBABWLNAGFBGDN-UHFFFAOYSA-N 212.296 2.696 30 20 BFED C=CCCOCCN[C@@H]1CCc2ccccc21 90883512 PAABJMWWBMVEPG-OAHLLOKOSA-N 231.339 2.856 30 20 BFED CCc1nsc(Oc2ccc(C#N)cc2F)n1 92685635 JWUBRKNWKDHFAV-UHFFFAOYSA-N 249.270 2.904 30 20 BFED C=CCCCN(CCO)[C@@H]1CCc2ccccc21 117883137 XIDSIWCVZQAXFE-MRXNPFEDSA-N 245.366 2.934 30 20 BFED O=C(/C=C/c1cnc2ccccn12)c1cccnc1 119108485 FIIXIIAJPQPOGV-VOTSOKGWSA-N 249.273 2.625 30 20 BFED C#Cc1cccc(NC(=O)c2[nH]c(C)cc2C)c1 119651448 MCWWWXWQQNUSCD-UHFFFAOYSA-N 238.290 2.865 30 20 BFED COc1cc(C#N)ccc1CN1CCC(C)CC1 120563054 KXMWDRCPJKGQLD-UHFFFAOYSA-N 244.338 2.799 30 20 BFED C=CCC[C@H](CC)NC[C@]1(C)CCCO1 122866657 OYHBENPFWWQWHZ-STQMWFEESA-N 211.349 2.890 30 20 BFED C#C[C@H](C)NC(=O)[C@H](c1ccccc1)[C@@H](C)CC 124008053 ZZNIASQJMMZOAB-YDHLFZDLSA-N 243.350 2.954 30 20 BFED Cc1ccc(CNCc2ccc(C#N)cc2)nc1 126984304 MDCUPGJSTKFUGW-UHFFFAOYSA-N 237.306 2.552 30 20 BFED C#CCCOC(=O)[C@H]1C[C@@H]1c1sccc1C 129549981 HHJUDJXCWFJASE-QWRGUYRKSA-N 234.320 2.727 30 20 BFED C[C@H]1CCCC[C@@H]1Nc1cccnc1C#N 129839467 RSISCSOMMQKGRA-QWRGUYRKSA-N 215.300 2.944 30 20 BFED CCN(Cc1cc(C#N)ccc1OC)CC1CC1 130469166 LIFLPPQPOGMOAQ-UHFFFAOYSA-N 244.338 2.799 30 20 BFED C=CCCC[C@H](C)N[C@H](C)[C@@H]1CCOC1 133092852 CDSKWUWGMIESOT-YNEHKIRRSA-N 211.349 2.746 30 20 BFED Cc1cccc(C(=O)N[C@](C)(C#N)C(C)C)c1F 151787391 HSDHCXWXZGCHGY-CQSZACIVSA-N 248.301 2.802 30 20 BFED C[C@H]1CC[C@@H](C)N1C(=O)c1ccc(C#N)cc1 161692974 QXOPDVLWUHUJJM-PHIMTYICSA-N 228.295 2.571 30 20 BFED C=CCN(C(=O)c1cccc2cc[nH]c12)C1CC1 165796321 XBVVIIBSXHDKSW-UHFFFAOYSA-N 240.306 2.959 30 20 BFED CC#CCOc1ccnc2cc(OC)ccc12 165978926 LJGQOABZOJZMDU-UHFFFAOYSA-N 227.263 2.646 30 20 BFED CC[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1C#N 167202737 CNBSSLCZDCRMBH-VIFPVBQESA-N 233.271 2.701 30 20 BFED C=CCn1c(C)nnc1S[C@@H]1C=CCCC1 171269602 UVEGUNGRUNZRDX-LLVKDONJSA-N 235.356 2.973 30 20 BFED C=CCOCCCC(=O)Nc1ccc(F)cc1 173017720 KNUOPZUPJPVCMN-UHFFFAOYSA-N 237.274 2.747 30 20 BFED N#CCc1ccc(NC(=O)NCCC2CC2)cc1 174716944 SSHFUZQSZMPAHJ-UHFFFAOYSA-N 243.310 2.674 30 20 BFED C[C@@H]1c2ccccc2CCN1C(=O)C(C)(C)C#N 175843814 OKHSGFUKSBEMSD-LLVKDONJSA-N 242.322 2.682 30 20 BFED N#Cc1cccc(NCc2cnc3ccccn23)c1 179550338 NTTAGXJJHPYIOY-UHFFFAOYSA-N 248.289 2.818 30 20 BFED Cc1c(C#N)cccc1NCc1ccncc1 181456049 KDYZUQWWWJXSDK-UHFFFAOYSA-N 223.279 2.874 30 20 BFED C=CCC[C@@H](OC(=O)c1c[nH]c(C#N)c1)C1CC1 181873261 UMXXWLZDRXVDEZ-CYBMUJFWSA-N 244.294 2.788 30 20 BFED C[C@@H](NCCCCC#N)c1cccc(C#N)c1 181988408 ZQPOTUGYPJOMHB-GFCCVEGCSA-N 227.311 2.903 30 20 BFED C#CCCCc1nc(-c2cccc(OC)c2)no1 191822745 QAAMYGNFIQDEKQ-UHFFFAOYSA-N 242.278 2.701 30 20 BFED C#CCCCC(=O)Nc1ccc(C(C)=O)c(C)c1 192164127 DYXOCCDPRCZAFS-UHFFFAOYSA-N 243.306 2.940 30 20 BFED C=CCN(CC=C)C(=O)N1CCc2ccccc21 192500131 PHDBZVPBUZMFHB-UHFFFAOYSA-N 242.322 2.843 30 20 BFED C=CCCCCCN1CCC[C@@H]1C(=O)OCC 193557947 BSIFJPBUQDUCBP-CYBMUJFWSA-N 239.359 2.760 30 20 BFED CC[C@H](C)N/C(N)=N\CC(C(C)C)C(C)C 194578454 LUJZAGZZXYSJPM-NSHDSACASA-N 227.396 2.617 30 20 BFED C=CCOCCCOc1ccc(C)cc1 201258966 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C#C[C@@H](CCC)NC(=O)C1(C(F)F)CCCC1 491241210 HRISERMGLRDULD-JTQLQIEISA-N 243.297 2.730 30 20 BFED C#C[C@@H](CCC)NC(=O)N[C@@H](C)c1ccccc1 491465406 WRNHJLMNVBAGPN-JSGCOSHPSA-N 244.338 2.849 30 20 BFED C=CCn1c(C)nnc1SCC[C@@H](C)F 505429164 WBWDXFBCPHRTKY-MRVPVSSYSA-N 229.324 2.613 30 20 BFED N#CCCCN1CCCc2c(F)cccc21 531139543 HNABMOUEJQHSAG-UHFFFAOYSA-N 218.275 2.882 30 20 BFED N#Cc1cc(C(=O)NCC2CCC2)ccc1Cl 544432998 MVQXDKCBZJJRHM-UHFFFAOYSA-N 248.713 2.742 30 20 BFED CC(C)N(CCC#N)C(=O)C[C@H]1C=CCCC1 547652866 BABIZRBKQVFUIJ-ZDUSSCGKSA-N 234.343 2.883 30 20 BFED CC(C)CCN(CCC#N)Cc1ncccc1O 554856555 XKMCYLISYZZWBG-UHFFFAOYSA-N 247.342 2.549 30 20 BFED C=CCCCCNc1cccc(CO)c1 574152664 MKBVXECIUQSLOM-UHFFFAOYSA-N 205.301 2.947 30 20 BFED CCC1(NC(=O)c2ccc(Cl)c(C#N)c2)CC1 583006183 WQHSEBDVYKULRV-UHFFFAOYSA-N 248.713 2.884 30 20 BFED Cc1cc(C)cc(CC(=O)N(C)[C@@H](C)CC#N)c1 597146803 YTDXGLNCVONYAX-ZDUSSCGKSA-N 244.338 2.607 30 20 BFED C[C@H](C#N)N(C(=O)c1ccc(Cl)cc1)C1CC1 598124435 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30 20 BFED C=CCN(C[C@H]1CCO[C@H]1C)C(C)(C)C 639827971 LIULRRVRVJIQBA-NWDGAFQWSA-N 211.349 2.698 30 20 BFED CC#CCN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C 648915546 IYDGKMDJHJUMJX-NWDGAFQWSA-N 221.344 2.540 30 20 BFED C=C[C@H](C(=O)O)N1CC[C@H](c2ccccc2)[C@H]1C 652428364 GRZQIPCTJKWDGD-KWCYVHTRSA-N 245.322 2.504 30 20 BFED C=CC[C@@H]1CCCN(CCC2CCNCC2)C1 662299093 KGHLXVGHKUNRQK-OAHLLOKOSA-N 236.403 2.664 30 20 BFED CC#CCCNC(=O)C[C@@H]1CCc2ccccc21 680456557 DOBMZWOYPQMAEC-AWEZNQCLSA-N 241.334 2.636 30 20 BFED C=CC[C@H](NC[C@H]1CCCC(C)(C)C1)C(=O)O 683175377 WFPQTBJEWSVLLR-RYUDHWBXSA-N 239.359 2.822 30 20 BFED CN(C)C(=O)c1ccc(C#Cc2ccccc2)cc1 684360588 IHAACKUGUOSUON-UHFFFAOYSA-N 249.313 2.788 30 20 BFED CCC#C[C@@H](C)N1CCC(F)(F)[C@H](C)C1 685591041 XTAVHAVLSARWNP-GHMZBOCLSA-N 215.287 2.765 30 20 BFED CCO[C@@H]1CC(=NNc2ccccn2)C12CCC2 741161398 SUWVHHLRTLWXDG-GFCCVEGCSA-N 245.326 2.829 30 20 BFED Cc1ccc([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)o1 742605615 VXCDQBGHNOLNBC-SMDDNHRTSA-N 248.326 2.746 30 20 BFED Clc1ccc(NN=Cc2cccnc2)cn1 743450402 PGUYNTYHPUZEKG-UHFFFAOYSA-N 232.674 2.576 30 20 BFED CON=Cc1ccc(C(=O)OCCC2CC2)cc1 744286384 KJEGTHSRWUNRMQ-UHFFFAOYSA-N 247.294 2.624 30 20 BFED C=CCN(C(=O)c1ccc2c(c1)COC2)C(C)C 747373579 KMZKUVFUEQPEEW-UHFFFAOYSA-N 245.322 2.753 30 20 BFED CCCCCCCC(=O)N1CC[C@@H](OC)C1 752473155 TZECSHKVBIQUOA-GFCCVEGCSA-N 227.348 2.594 30 20 BFED C#C[C@H](CC)NC(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 753258744 JQGWTRDNKRDHIM-WUHRBBMRSA-N 236.359 2.522 30 20 BFED C=CCNC(=S)N[C@@H](CCCC)C1CCC1 756801892 RRLKJMPDBSFVSX-LBPRGKRZSA-N 240.416 2.995 30 20 BFED C1C[C@@H]2[C@@H]3C[C@H](CC3=NNC3CCOCC3)[C@@H]2C1 757591335 FMFNKCGBFGCORZ-SAXRGWBVSA-N 248.370 2.567 30 20 BFED COc1ccc(C=NOCC(F)F)c(Cl)c1 758902095 BOCOXVWCUPGIMF-UHFFFAOYSA-N 249.644 2.964 30 20 BFED C#CCCN1CCC[C@H]1Cc1cccc(OC)c1 760818842 PIYJYZVPZXITBR-HNNXBMFYSA-N 243.350 2.725 30 20 BFED Cc1ccc(C=NNc2cc(C)ccn2)nc1 761817157 KCEJIUSUTHSOET-UHFFFAOYSA-N 226.283 2.539 30 20 BFED CCCCC(CC)=NNc1cnn(C)c1 761867122 CTPPQHDNYVCOFI-UHFFFAOYSA-N 208.309 2.788 30 20 BFED FC(F)(F)CON=C[C@@H]1C[C@H]2CC[C@H]1C2 762433180 BBYZIZJTNILNIQ-CIUDSAMLSA-N 221.222 2.987 30 20 BFED CC#CCNC(=O)c1ccc([C@@H](C)CC)cc1 762704093 IXDRAMLEPRPCKB-LBPRGKRZSA-N 229.323 2.953 30 20 BFED COc1ccnc(NN=C2CC(C)(C)C[C@H]2C)n1 766009671 GPTPPDQTSQNYGQ-SECBINFHSA-N 248.330 2.709 30 20 BFED N#CCc1cccc(NCC2CCSCC2)n1 771753358 IZHRCRVQZZFNDO-UHFFFAOYSA-N 247.367 2.703 30 20 BFED C=C(CC)CONC(=O)C(C)(C)c1ccccc1 773178404 ZVSBWPXKNAUCSR-UHFFFAOYSA-N 247.338 2.978 30 20 BFED CCC(CC)CNN=C1CCCC[C@@H]1OC 774465243 UHVDSYXSJAQPPG-ZDUSSCGKSA-N 226.364 2.957 30 20 BFED C#C[C@H](C)N(C)Cc1ccc(F)c(C)c1 775184063 UPMUSNTZFRBLHM-NSHDSACASA-N 205.276 2.588 30 20 BFED N#Cc1c(F)cccc1C(=O)OCCC1CC1 778374514 KUUOLSWDJIOSMA-UHFFFAOYSA-N 233.242 2.654 30 20 BFED C#CCCCCCC(=O)N(CC)CC(=C)C 779777949 XDXRDXIBPQQXIE-UHFFFAOYSA-N 221.344 2.995 30 20 BFED C#CCCCCCC(=O)NCc1ccc(O)cc1 780341261 KRCQKSFAUNFCDS-UHFFFAOYSA-N 245.322 2.592 30 20 BFED C=C[C@@](C)(CC)C(=O)OCCOCC1CC1 785756870 DYZZBUDTVZBXEM-ZDUSSCGKSA-N 226.316 2.559 30 20 BFED C#CCN(CC)C[C@@H]1C(C)=CCC[C@H]1C 785977617 KRVGNIWJRUXYGI-ZIAGYGMSSA-N 205.345 2.934 30 20 BFED CC[C@H](C)NN=C1CCO[C@@H](C(C)C)C1 790190764 QFJQJELKQKKKAM-CMPLNLGQSA-N 212.337 2.566 30 20 BFED CC[C@@H]1CCCC(=NNc2nccn2C)C1 790305660 LXRHCEOFMQZBFE-SNVBAGLBSA-N 220.320 2.788 30 20 BFED CSCCON=Cc1ccc(F)cc1F 794573776 JSHMRCRIOUEFAK-UHFFFAOYSA-N 231.267 2.678 30 20 BFED C#CC(C)(C)N(C)Cc1cccc(N(C)C)c1 794578655 FJRGRLRAVSQVLG-UHFFFAOYSA-N 230.355 2.596 30 20 BFED COc1ccccc1CON=Cc1ccccn1 799118615 NHGVKWGFUBURSA-UHFFFAOYSA-N 242.278 2.641 30 20 BFED C#CCC(C)(C)C(=O)OCC(=O)CC(C)(C)C 805530554 PYJHFHXACLGYHP-UHFFFAOYSA-N 238.327 2.584 30 20 BFED C#CCCCN[C@H]1CCc2ccc(C#N)cc21 810220382 WJBUCAULNPUYBH-HNNXBMFYSA-N 224.307 2.549 30 20 BFED Fc1cccc(C=NOC/C=C\Cl)c1 811671173 BGYVJGYTEYELEY-WVDZYLRBSA-N 213.639 2.929 30 20 BFED C#CCON=C(C)[C@H](C)c1ccc(OC)cc1 812233016 QAHPHTPGTSBIAC-NSHDSACASA-N 231.295 2.824 30 20 BFED CC(=NOC1CCC1)c1ccc(F)cc1O 812235036 IXDHVXNJJNNPHH-UHFFFAOYSA-N 223.247 2.824 30 20 BFED CC(=NOC1CCC1)c1ccc(C#N)s1 812235510 WGNZYWHIQLUWQI-UHFFFAOYSA-N 220.297 2.913 30 20 BFED C=CCC(F)(F)C(=O)Nc1cccc(O)c1 814688704 JMYKWTGKNYNWOT-UHFFFAOYSA-N 227.210 2.542 30 20 BFED N#C[C@@H]1CCCC(=NN[C@H]2C[C@H]3CC[C@H]2C3)C1 814893664 ZLSDGSPNPFBWJI-OPDFLTKYSA-N 231.343 2.834 30 20 BFED CC[C@H](C)CON=C[C@](C)(OC)C1CC1 814938602 PAKZOZVJKACGJZ-JQWIXIFHSA-N 213.321 2.850 30 20 BFED Cc1ccoc1COC(=O)c1ccc(C#N)cc1 816101202 KHLOYEUAZQOVNW-UHFFFAOYSA-N 241.246 2.817 30 20 BFED C=CCC(F)(F)C(=O)NC[C@H]1CCC[C@H]1C 816566496 XBKCJOMLFMYOCB-NXEZZACHSA-N 231.286 2.750 30 20 BFED C#CCCCCCC(=O)Nc1cc(CC)n(C)n1 817499071 RSSCHIIFHTTZDM-UHFFFAOYSA-N 247.342 2.505 30 20 BFED CCCc1[nH]ccc1C(=O)O[C@H](CC)CC#N 817729278 BNGAPEOGNPBZKP-SNVBAGLBSA-N 234.299 2.816 30 20 BFED CC[C@H](CC#N)OC(=O)c1cccc(F)c1C 817730333 NHPNIEKJJVXKHQ-SNVBAGLBSA-N 235.258 2.983 30 20 BFED C=CCOCCOC(=O)[C@H]1CCCC[C@H]1C 820933385 TYMBNUCUCJYLSW-NEPJUHHUSA-N 226.316 2.559 30 20 BFED C[C@@H](CCC#N)N(C)C[C@@](C)(O)c1ccccc1 823605568 LTALYFILAJJANT-DZGCQCFKSA-N 246.354 2.518 30 20 BFED CC[C@@H](C#N)NC(=O)c1ccccc1C(C)C 825050587 UGEZKEWOTBQGAZ-NSHDSACASA-N 230.311 2.842 30 20 BFED C[C@H]1CC[C@H](NC(=O)C#Cc2cccs2)CC1 825777523 XXCHBPNDVFHAJP-HAQNSBGRSA-N 247.363 2.795 30 20 BFED C#Cc1cnc(N2CCC[C@@H]2CCC(C)C)nc1 827777596 FSCHGBOUCZWOAQ-CQSZACIVSA-N 243.354 2.863 30 20 BFED C=CCC1(NC(=O)NOCCC)CCCCC1 828338459 LPGQKWAYEVBDHK-UHFFFAOYSA-N 240.347 2.906 30 20 BFED C#CC1CCN(C[C@@H]2CCC3(CCCC3)O2)CC1 830345685 NBYHOJHIGIRSEQ-HNNXBMFYSA-N 247.382 2.823 30 20 BFED CCC(=NNc1cccnn1)C1CCCC1 834958792 FDHZKGODOMEOOK-UHFFFAOYSA-N 218.304 2.845 30 20 BFED CCC(=NN[C@H](C)C(F)(F)F)C1CC1 835000125 JBHSLZZAUMDMID-ZCFIWIBFSA-N 208.227 2.703 30 20 BFED CC(C)ON=C1CCC2(CCCO2)CC1 835003656 WURCCQNSDASDFJ-UHFFFAOYSA-N 211.305 2.891 30 20 BFED C=C[C@@H](C)OC(=O)c1cc(C)n(C(C)C)n1 835329160 YSHUKNSPTUCTRV-SNVBAGLBSA-N 222.288 2.504 30 20 BFED C=CC(C)(C)COC(=O)c1ccnc(C)c1 835723265 RLTSJMWRUFXBCR-UHFFFAOYSA-N 219.284 2.759 30 20 BFED C=CC(C)(C)COC(=O)c1cccc(C)n1 835724986 UDNWSNKSKWNOPK-UHFFFAOYSA-N 219.284 2.759 30 20 BFED Cc1ccc([C@H](C)CNC(=O)C#CC2CC2)cc1 837431855 UJFHZLWEWSDIQG-CYBMUJFWSA-N 241.334 2.628 30 20 BFED CC(C)[C@@]1(C)C[C@H]1NC(=O)C#Cc1cccs1 838036889 HTPNUSUTNSKMAM-TZMCWYRMSA-N 247.363 2.650 30 20 BFED CC(C)(C)C#CC(=O)OC/C(Cl)=C\Cl 838372374 HOQLLJODKKMZDH-SOFGYWHQSA-N 235.110 2.898 30 20 BFED N#CCCSCC[C@H](O)c1ccccc1 840210929 BFUHQQGYWIAPDF-LBPRGKRZSA-N 221.325 2.757 30 20 BFED C[C@H](NN=C1COC(C)(C)C1)c1ccccc1 841621118 SHFMIXWYPUFBKG-NSHDSACASA-N 232.327 2.892 30 20 BFED C=C[C@@H](CC)OC(=O)c1cn(C)nc1C1CCC1 842329261 LCIZPSUCUBXHLV-NSHDSACASA-N 248.326 2.809 30 20 BFED C#CCCCC(=O)O[C@@H](C#C)c1ccccc1 842363306 FNLYXBSXMXCJBV-AWEZNQCLSA-N 226.275 2.708 30 20 BFED CC(C)C[C@H]1CCCC(=NN(C)[C@H](C)CO)C1 842541271 QSFVWWWMOXUWSN-CHWSQXEVSA-N 240.391 2.891 30 20 BFED CCC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842945815 SIPWNYDINPTESC-QMMMGPOBSA-N 220.297 2.607 30 20 BFED C#CC1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 843705755 PIZNELSTZHYZGT-AWEZNQCLSA-N 245.297 2.569 30 20 BFED Cc1cc(O)nc(NN=C2CCCCC[C@H]2C)n1 844562329 FVPCWGGEWMTGSF-SECBINFHSA-N 248.330 2.859 30 20 BFED C[C@H]1CCCCCC1=NNc1cnn(C)c1 844592033 CZLWYBZVCWKXBY-JTQLQIEISA-N 220.320 2.788 30 20 BFED C=C(C)CON=C(C)c1ccc2c(c1)OCO2 844614258 DLMIYDROCRTHTO-UHFFFAOYSA-N 233.267 2.732 30 20 BFED C=C[C@@H](C)ON=C(C)c1ncccc1CC 844620933 BBEVUENIALYSBB-SNVBAGLBSA-N 218.300 2.959 30 20 BFED Cc1cc(C#N)cc(C)c1OC(=O)C(F)(F)F 849377750 IMMQARDARXITRZ-UHFFFAOYSA-N 243.184 2.643 30 20 BFED CC(=O)O[C@H](C)Sc1ccc(C#N)c(C)c1 849925756 OJZJLXYWQVJJAI-JTQLQIEISA-N 235.308 2.868 30 20 BFED C=CCCN[C@H]1CCc2nc(Cl)ccc21 850502071 JRWTYFMTSOYIKY-JTQLQIEISA-N 222.719 2.888 30 20 BFED C[C@H](C#N)COC(=O)C1[C@H]2CCCCCC[C@H]12 850901609 SNXFOTLKNYNLLP-WOPDTQHZSA-N 235.327 2.906 30 20 BFED C=CC[C@@H]1N(Cc2cnon2)CCCC1(C)C 851990033 NEIHVZHHEXVYEL-LBPRGKRZSA-N 235.331 2.636 30 20 BFED COc1cc(F)cc(C=NOCC2CCC2)c1 853441258 UROVTECCTMUSDE-UHFFFAOYSA-N 237.274 2.985 30 20 BFED C#C[C@H](NC(=O)NC1(CC(C)C)CC1)C(C)C 854067663 BCSWBGRFYFHLMC-LBPRGKRZSA-N 236.359 2.522 30 20 BFED C=C[C@@H](C)ONC(=O)c1cc(SC)oc1C 855026835 QHPIVLKOYAMSTL-SSDOTTSWSA-N 241.312 2.546 30 20 BFED CCCCCCCNC(=O)Cc1cscn1 862354741 GCOLYAJOZQOJPY-UHFFFAOYSA-N 240.372 2.772 30 20 BFED Fc1ccc(NN=Cc2cnc(C3CC3)o2)nc1 863091813 TVRRTCCYHPMHEA-UHFFFAOYSA-N 246.245 2.532 30 20 BFED CC[C@@H](C)NN=Cc1ccc2cc[nH]c2c1 863107321 LTWGHOIZJGXZLT-SNVBAGLBSA-N 215.300 2.890 30 20 BFED N#Cc1cc([N+](=O)[O-])c(N[C@H]2C=CCC2)cc1F 865939752 XEPKYEINTUQKQS-VIFPVBQESA-N 247.229 2.736 30 20 BFED Cc1ccnc(NN=C2CCC[C@@H]2F)c1 872356312 JDHJHAHSKFUYRZ-VIFPVBQESA-N 207.252 2.680 30 20 BFED Fc1ccc(C(F)(F)F)cc1C=NN1CCC1 872397292 WDWQSWDNPGTKIW-UHFFFAOYSA-N 246.207 2.884 30 20 BFED C#C[C@H](C)NC[C@@H](OC(C)C)c1ccccc1 877514605 QBTRTWRHUMYGOI-DZGCQCFKSA-N 231.339 2.764 30 20 BFED C=CC[C@H](C)[C@@H](C)NCCO[C@H]1CCCCO1 894800235 SCZHOPXQSAETRJ-MJBXVCDLSA-N 241.375 2.720 30 20 BFED C=CCON=Cc1c(C)nn(C(C)C)c1C 901249554 YFIYZEWZLNIOGQ-UHFFFAOYSA-N 221.304 2.617 30 20 BFED CC(C)n1cc(C(=O)/C=C\c2cccs2)nn1 901524309 LDWVRZSGWZENEB-WAYWQWQTSA-N 247.323 2.817 30 20 BFED C=CCC[C@H](N[C@H](C)[C@H](C)CC=C)C(=O)O 901690363 OLYLLTZTDXZWFP-UTUOFQBUSA-N 225.332 2.596 30 20 BFED C=CCC[C@H](N[C@@H](CC)CCCC)C(=O)O 901690533 PLTPUMNKGVHHGJ-RYUDHWBXSA-N 227.348 2.964 30 20 BFED C=CCC[C@H](N[C@@H](C)CCCC)C(=O)O 901694031 ZMXMOYHEFNYPLW-QWRGUYRKSA-N 213.321 2.574 30 20 BFED CC(=O)C(C)=NOCC1CCC(C)CC1 902760906 OPCLROCYFBCYBJ-UHFFFAOYSA-N 211.305 2.794 30 20 BFED CCCNN=C(C)c1ccc(C(F)(F)F)cn1 905441366 ZYMLICIGTJUBRB-UHFFFAOYSA-N 245.248 2.824 30 20 BFED Clc1ccccc1C=NNc1cnccn1 912958881 MAYLLGDOXMVFRH-UHFFFAOYSA-N 232.674 2.576 30 20 BFED C#CCNC(=S)Nc1cccc(C(C)C)c1 917572777 QYRZGNAKGOQVRO-UHFFFAOYSA-N 232.352 2.730 30 20 BFED CC[C@@H](C#N)OC(=O)c1nsc2ccccc12 923031151 UVTLPIVVZSPUPR-QMMMGPOBSA-N 246.291 2.755 30 20 BFED CC[C@@H](C#N)NC(=O)c1cc(C(C)(C)C)oc1C 931330239 CTZSEMLPENGYCY-JTQLQIEISA-N 248.326 2.918 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1cccnc1C 933924262 XCJWIPBWMNPMMP-NSHDSACASA-N 218.300 2.931 30 20 BFED CSCC(C)(C)NCc1ccccc1C#N 934668683 WVIFLAPQWZOFDV-UHFFFAOYSA-N 234.368 2.789 30 20 BFED C#Cc1ccc(NC(=O)NC[C@H](C)C2CC2)cc1 934936539 UQACTQFDHYPXSG-NSHDSACASA-N 242.322 2.836 30 20 BFED C=C[C@H](CC)CC(=O)N1CCSCC[C@@H]1C 935626947 OMTGARIODIGIOM-NWDGAFQWSA-N 241.400 2.943 30 20 BFED C=C(C)CCC(=O)N1CCO[C@@H](C(C)(C)C)C1 1120642397 BJKALGKHGXFTDL-GFCCVEGCSA-N 239.359 2.616 30 20 BFED C=C(C)CCC(=O)Nc1c2c(nn1C)CCCC2 1120764600 FGQOQVYQTHITQL-UHFFFAOYSA-N 247.342 2.594 30 20 BFED C=CCC[C@@H](O)CN1CCC(CCC)CC1 1252598210 LGPJASMJRLGRLR-CQSZACIVSA-N 225.376 2.826 30 20 BFED C/C=C(/CC)C(=O)N[C@H](C#N)C1CCCC1 1262108045 FQNLJLUJWJNNTJ-UOLPYZNQSA-N 220.316 2.541 30 20 BFED C[C@@H](CC#N)NC(=O)c1cc(F)cc2ccoc12 1293254310 PHAYDWAJONKBBC-QMMMGPOBSA-N 246.241 2.604 30 20 BFED CS[C@@H]1CC[C@H](Nc2cccc(CC#N)n2)C1 1320359576 OUFKFFBUSRJMBJ-NWDGAFQWSA-N 247.367 2.844 30 20 BFED C=CCN(CCOC)[C@H]1CCc2c(F)cccc21 1321075850 RVVMLCQJFPPEKX-HNNXBMFYSA-N 249.329 2.947 30 20 BFED C=C[C@@](C)(CC)c1nnc(CC2CC2)o1 1326987440 MQDWLRBJHUJRNS-LBPRGKRZSA-N 206.289 2.876 30 20 BFED C=C[C@@H](C)ON=C1CCN(C)c2ccccc21 1328629484 VGFCZTJSVWFTCX-LLVKDONJSA-N 230.311 2.822 30 20 BFED C=C(C)CCC(=O)N1CCC[C@@H]1CSC 1335820990 SLYJYBFRCCDVMJ-LLVKDONJSA-N 227.373 2.697 30 20 BFED C[C@H](C(=O)O[C@H]1CC[C@@H](C#N)C1)C1CCC1 1344048684 DEIQPAFHBGMALF-UMNHJUIQSA-N 221.300 2.658 30 20 BFED C#CCC[C@@H](C)OC(=O)c1cc(C)co1 1344560105 PWSGDVDUZMDRPW-SNVBAGLBSA-N 206.241 2.547 30 20 BFED C[C@H](CCC#N)CNc1ccc(OCC#N)cc1 1349600404 UADAJWFTAOOFHN-GFCCVEGCSA-N 243.310 2.941 30 20 BFED C=CC[C@H](C(=O)O)N1CC=C(C(C)(C)C)CC1 1588727613 DJROUUJWCSUMRL-GFCCVEGCSA-N 237.343 2.694 30 20 BFED C=C(C)CCC(=O)O[C@@H]1CCCC[C@@H]1C(=O)O 1602761093 UNOHOUKPKBRIHS-WDEREUQCSA-N 240.299 2.529 30 20 BFED CCON=C1CCC[C@@H](CCCC(=O)O)C1 1610038478 MWXVVTMKKPRGME-JTQLQIEISA-N 227.304 2.824 30 20 BFED C=C(C)CN(CC)[C@@H]1CC[C@H](CC(=O)O)C1 1776140154 BFSLKMLLUCDMEH-NWDGAFQWSA-N 225.332 2.528 30 20 BFED C=CCCCCN1CCC(C)(C)[C@@H]1C(=O)O 1776207718 HQILMUFRKSDJLN-NSHDSACASA-N 225.332 2.528 30 20 BFED N#Cc1ccnc(-c2c(F)cccc2Cl)n1 1898208160 NQADFPSVXDALSJ-UHFFFAOYSA-N 233.633 2.808 30 20 BFED CC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C#N 21010899 ZAUZHJFGAAWJSN-MRVPVSSYSA-N 219.244 2.677 30 20 BFED CCN(Cc1ccc(C#N)cc1F)C[C@H](C)C#N 44389173 RAZNHWPXIIAHDU-LLVKDONJSA-N 245.301 2.679 30 20 BFED CCC(C#N)(CC)C(=O)N[C@@H](C)CC(C)C 44765594 KYOLYPHZIFVKRO-NSHDSACASA-N 224.348 2.867 30 20 BFED N#C[C@H](C(=O)c1cccs1)c1ccccn1 46439289 COTRMAINQKEAMI-VIFPVBQESA-N 228.276 2.633 30 20 BFED C=CCNC(=O)Nc1ccccc1OC(C)C 48193651 WIQJODFVVDINHU-UHFFFAOYSA-N 234.299 2.781 30 20 BFED CC(C)(C#N)C(=O)NCc1cccc(Cl)c1 48439636 NYELOTZZMUAUFE-UHFFFAOYSA-N 236.702 2.506 30 20 BFED N#C[C@@H]1CCC[C@@H]1NC(=O)CCC1CCCC1 61888586 MPXGDBJEUJHNSU-STQMWFEESA-N 234.343 2.765 30 20 BFED CCCCN(CC)C(=O)Cc1ccc(C#N)cc1 70158705 JQGGBUOBASVTKI-UHFFFAOYSA-N 244.338 2.749 30 20 BFED C=CCCOc1cccc2c1CCC2=O 70592603 GZAHMOMKYJODSF-UHFFFAOYSA-N 202.253 2.770 30 20 BFED Cc1ccc(C#N)c(N[C@H]2CCC[C@H]2C)n1 70832586 GAEIUZVHZGBTCB-SKDRFNHKSA-N 215.300 2.862 30 20 BFED Cc1ccccc1CCC(=O)N[C@@H](C#N)C(C)C 70981306 MKPVSUDTMLKYBQ-AWEZNQCLSA-N 244.338 2.592 30 20 BFED C#CCN(Cc1ccco1)Cc1cccs1 72802667 XCHPGKHVYYYYLW-UHFFFAOYSA-N 231.320 2.977 30 20 BFED CC(C)(C#N)C(=O)Oc1ccccc1Cl 75918246 NYECJEFKGGXBDN-UHFFFAOYSA-N 223.659 2.795 30 20 BFED C[C@H](C#N)CNC1CCC(C(F)(F)F)CC1 82862590 VFNXEBUFZJKQPC-XNWIYYODSA-N 234.265 2.857 30 20 BFED C=C[C@@H](N)Cc1ccc(Br)cc1 83945098 IPVXTVFOCSVTRA-SNVBAGLBSA-N 226.117 2.505 30 20 BFED CCC(CC)n1ccc(CN(CC)CC#N)n1 85175117 ULJJDNLSYHOSOW-UHFFFAOYSA-N 234.347 2.590 30 20 BFED CCC[C@H](C#N)NC(=O)C(C)(C)CC(C)C 92002399 BFENRLYMECLNLV-LLVKDONJSA-N 224.348 2.867 30 20 BFED C=C(C)COC(=O)CCCOc1ccccc1 98069897 IDEBIWYDYBRONO-UHFFFAOYSA-N 234.295 2.965 30 20 BFED CCCCCCCC(=O)N[C@@H]1CCCC[C@H]1N 103808029 FTFLRXZJFABLLI-CHWSQXEVSA-N 240.391 2.733 30 20 BFED N#Cc1cc(F)ccc1NCC1CCOCC1 104423328 HBDOFXIWAQUYQC-UHFFFAOYSA-N 234.274 2.536 30 20 BFED C[C@@H]1c2ccccc2CCN1CCC#N 106862354 IYSLIJQBKLFGGI-LLVKDONJSA-N 200.285 2.519 30 20 BFED CN(CC1CCC1)c1ccc(F)cc1C#N 110877903 FBKDOZRCAQHPNY-UHFFFAOYSA-N 218.275 2.934 30 20 BFED C=CC[C@H](C)NC(=O)Nc1ccnn1C(C)C 116931836 SXRKILQSQFTSJR-JTQLQIEISA-N 236.319 2.550 30 20 BFED C=CC1CCN(Cc2c(CC)noc2C)CC1 119100853 HLQIUHUIGBICCR-UHFFFAOYSA-N 234.343 2.943 30 20 BFED C=CC[C@H](C)[C@H](C)NCc1ccn(C)c1 122448460 PPHMHBAEYBPWGN-RYUDHWBXSA-N 206.333 2.715 30 20 BFED CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc(C#N)c1 124543595 LLJUVKHMPGJHTP-RISCZKNCSA-N 242.322 2.961 30 20 BFED C[C@H]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C#N)c2)C1 128012162 CXOVYDLMTCUSTG-UWVGGRQHSA-N 245.282 2.701 30 20 BFED C=CCN1CC[C@H](Oc2ccccc2Cl)C1 128304177 RQNDQOPYSZXSIE-NSHDSACASA-N 237.730 2.979 30 20 BFED C=CC[C@H](C)Nc1ncnc2c1CCCC2 131602372 KVLASYPHULZDTH-JTQLQIEISA-N 217.316 2.732 30 20 BFED CC#CCCOc1ccc(C=O)cc1OCC 133083072 LKZLFPFWRQBBCY-UHFFFAOYSA-N 232.279 2.690 30 20 BFED CC(C)/C(N)=N/OC/C=C/c1ccccc1 133624310 HVROFONNCOERHQ-RMKNXTFCSA-N 218.300 2.645 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1ccccc1O 134918139 CPIZEMNXECEPBO-CYBMUJFWSA-N 219.284 2.933 30 20 BFED C=CCCN1C[C@@H](CC(=O)O)c2ccccc21 148048689 RTCPWGZVPODGMZ-LLVKDONJSA-N 231.295 2.641 30 20 BFED C=CCCCCCN(C)Cc1noc(CC)n1 150876024 PFIBBTBYRYXVJR-UHFFFAOYSA-N 237.347 2.810 30 20 BFED N#C[C@H](NC(=O)C1=CCCC1)C1CCCCC1 152403527 KRVUOKRDPUDSPT-ZDUSSCGKSA-N 232.327 2.685 30 20 BFED CC#CCCN(C)CCOc1ccc(F)cc1 155016952 DDSQSTDXUIGRDI-UHFFFAOYSA-N 235.302 2.550 30 20 BFED C=CCCOCCNC(=O)[C@H]1CCC[C@@H](C)C1 155081402 JRTAARPGQCTZDW-OLZOCXBDSA-N 239.359 2.522 30 20 BFED CC#CCN(Cc1ccco1)Cc1ccco1 157460742 PURMWFRRLURQCF-UHFFFAOYSA-N 229.279 2.898 30 20 BFED C#Cc1cccc(NC(=O)N[C@H](C)C2CCC2)c1 160270749 PHXRRPBTOADZPN-LLVKDONJSA-N 242.322 2.978 30 20 BFED C=CCNc1ccc(CCC(=O)OCC)cc1 165280364 DLSXAWDFUALTNT-UHFFFAOYSA-N 233.311 2.780 30 20 BFED C=C(C)CN(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] 165861175 CSFNQZUDSPDKHM-UHFFFAOYSA-N 248.282 2.810 30 20 BFED CC#CCSCc1nccn1C(F)F 166745674 QOXWBLVXGTVZFW-UHFFFAOYSA-N 216.256 2.535 30 20 BFED C=CCCC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 171442478 SGAGRGBKGPREFD-CHWSQXEVSA-N 233.286 2.764 30 20 BFED C#C[C@H](C)OC(=O)c1ccc2[nH]c(C)c(C)c2c1 174442489 JQGAXLSMCWNOPV-VIFPVBQESA-N 241.290 2.963 30 20 BFED C=C(C)CN[C@](C)(CC)c1nccs1 174871743 HLCQSYICKSGIHB-LLVKDONJSA-N 210.346 2.934 30 20 BFED CCC1(CNC(=O)c2cccc(C#N)c2)CCC1 175680207 DCWVALUYVXJNFM-UHFFFAOYSA-N 242.322 2.868 30 20 BFED C=C(C)CSCc1nc([C@H](C)OC)no1 177866479 KFMMIUMPJOBYEX-QMMMGPOBSA-N 228.317 2.586 30 20 BFED C=CCCCC(=O)N(C)OCc1ccccc1 178686407 SOZHVOSRVUSBKI-UHFFFAOYSA-N 233.311 2.933 30 20 BFED Cc1nn(CC2CCC(C)(C)CC2)c(N)c1C#N 180837303 OYHHRKIDSDFDIA-UHFFFAOYSA-N 246.358 2.862 30 20 BFED C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CCCCC1 181310653 LOIJMYOEHGXPOR-JTQLQIEISA-N 245.326 2.585 30 20 BFED C=CCCC[C@@H](C)NC(=O)c1cc(C2CC2)[nH]n1 182644744 HICKEJGMGKZJDE-SNVBAGLBSA-N 247.342 2.762 30 20 BFED C#CCC(C)(C)C(=O)Nc1ccc(C(C)=O)cc1 184855328 QBFXHSGCSPUBCA-UHFFFAOYSA-N 243.306 2.877 30 20 BFED C#CCCCN[C@@H]1C[C@H](OC(C)C)C1(C)C 185231985 QDBNDTHSFQBIKV-OLZOCXBDSA-N 223.360 2.582 30 20 BFED C#CCCCNCc1cnc(-c2ccco2)s1 193130536 BERNFKXIPFZCEF-UHFFFAOYSA-N 246.335 2.906 30 20 BFED O=C(/C=C/c1ccc(F)nc1)c1sccc1O 193148294 JXFMXCDBDRFZOQ-HNQUOIGGSA-N 249.266 2.884 30 20 BFED C=CCSCCNC(=O)C[C@@H](C)CCC 195369638 ZZCADXRIJWXDQS-NSHDSACASA-N 229.389 2.848 30 20 BFED C=CCCOCCN[C@@H]1CCC[C@@H]1CC 222451023 HJJOYWLQKMLIQC-QWHCGFSZSA-N 211.349 2.747 30 20 BFED CS[C@H]1CC[C@@H](Nc2cccnc2C#N)C1 235068041 AFRIOLFZRZMPER-ZJUUUORDSA-N 233.340 2.649 30 20 BFED C=CCN(CC=C)C(=O)OCCC(C)C 244302721 WYSDOVVNKCIVDI-UHFFFAOYSA-N 211.305 2.843 30 20 BFED CCCCCCCN1CC[C@H](C)[C@H]1CO 248864055 APXTXVXGLHMCAM-QWHCGFSZSA-N 213.365 2.660 30 20 BFED C=CCC[C@H](CC)NCCC(C)(C)C(=O)O 263097972 VXOUCKIZQSEIHI-NSHDSACASA-N 227.348 2.822 30 20 BFED CCC1(C/N=C2/NCCCN2C)CCCCC1 263103195 KFPGWNFTCWDNOJ-UHFFFAOYSA-N 237.391 2.628 30 20 BFED C=C(Cl)Cn1nnnc1/C=C\c1ccccc1 263634313 QGCLKFPVFKOGOP-FPLPWBNLSA-N 246.701 2.596 30 20 BFED C[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)C1CC1 267038921 HMEYWYVQJNKGDQ-WDEREUQCSA-N 242.322 2.782 30 20 BFED C=CCC(CC=C)C(=O)N[C@@H](C)CSC 268250777 ZLFSOUVBUMKZCT-JTQLQIEISA-N 227.373 2.623 30 20 BFED C=CCCCC(=O)Nc1ccc(CCO)cc1 268532250 AUARLQVESIEOQT-UHFFFAOYSA-N 233.311 2.516 30 20 BFED C#CCCCNc1cc(NC(C)=O)ccc1C 270939048 RVCJBFXQDPTBRS-UHFFFAOYSA-N 230.311 2.779 30 20 BFED C#CCCCN1CCC[C@@H]1c1ccc(COC)o1 274517686 WBJXOYHESLCBML-CQSZACIVSA-N 247.338 2.976 30 20 BFED C#C[C@@H](C)NC(=O)[C@@H](C)c1cccc(Cl)c1 274702282 VUBVWSXOMLVUHN-ZJUUUORDSA-N 235.714 2.581 30 20 BFED N#Cc1ccc(SCC[C@H]2CCCO2)nc1 276176711 WOCAVVPNYNMNND-LLVKDONJSA-N 234.324 2.614 30 20 BFED C#C[C@@H](C)NC(=O)Nc1ccc(C(C)C)cc1 276519297 KXQJBZLNMCAQJH-LLVKDONJSA-N 230.311 2.953 30 20 BFED CC(C)=CCCNC(=O)c1ccc(CC#N)cc1 276604519 CPSRYULBDVJLDS-UHFFFAOYSA-N 242.322 2.839 30 20 BFED C#C[C@@H](NC(=O)Cc1cc(C)ccc1C)C(C)C 282060611 MMRXKQOLVQRHFG-OAHLLOKOSA-N 243.350 2.620 30 20 BFED C=CCn1c(C2CC2)nnc1N(CCC)CCC 289558885 FXFXAAVZYKKAJQ-UHFFFAOYSA-N 248.374 2.968 30 20 BFED C[C@@H](CCCCO)Nc1ccc(C#N)cc1F 296353582 RIASFIDDFSPREZ-JTQLQIEISA-N 236.290 2.660 30 20 BFED C=C(C)CNC(=O)Nc1cncc(Cl)c1C 296934177 IYZFYZJPACWMCB-UHFFFAOYSA-N 239.706 2.741 30 20 BFED CC1(C#N)CN(CCSCc2ccccc2)C1 297523179 WYOMBEWCWYNKLH-UHFFFAOYSA-N 246.379 2.765 30 20 BFED C=CC(C)(C)C(=O)Nc1cc(F)ccc1OC 297703490 HSTORHJSCRGSRM-UHFFFAOYSA-N 237.274 2.985 30 20 BFED CC[C@@H]1C[C@@H]1Nc1ccc(Cl)c(C#N)n1 301270946 HQEKDWTXZMOJNH-APPZFPTMSA-N 221.691 2.817 30 20 BFED C#C[C@@H](NC(=O)CCc1ccccc1C)C(C)C 302332083 KZIQCYSEHKNDNR-OAHLLOKOSA-N 243.350 2.702 30 20 BFED CCCCN/C(N)=N/Cc1cc2ccccc2o1 303863587 AGLAXVMDTRJFAI-UHFFFAOYSA-N 245.326 2.637 30 20 BFED CC(C)[C@@H](O)COc1ccc(C#N)cc1Cl 304227103 ZWYQAWSQRJZFDX-NSHDSACASA-N 239.702 2.607 30 20 BFED N#C[C@H]1CC[C@H](NCCCC(F)(F)F)C1 308852898 HENCFVIZJGISMO-IUCAKERBSA-N 220.238 2.611 30 20 BFED C[C@@H](CCC1CC1)Nc1ccc(C#N)nc1 309755283 LLRJAQYZSIVACO-JTQLQIEISA-N 215.300 2.944 30 20 BFED CC(C)CCC[C@@H](C)Nc1ccnc(C#N)n1 310517573 LHWNUMAXRQISAY-LLVKDONJSA-N 232.331 2.975 30 20 BFED CC[C@H](C)C[C@H](C)/N=C(/O)c1csc(O)n1 331015971 USMAXKXWLKINAL-YUMQZZPRSA-N 242.344 2.978 30 20 BFED CC(C)c1cnc(N/C(O)=N/CCC#N)s1 331189881 ZTAYTHCAJQFNNH-UHFFFAOYSA-N 238.316 2.506 30 20 BFED C[C@H]1C[C@H](C(=O)NCC2(C#N)CCC2)CC[C@H]1C 332508047 YKXNFBVVOGKUHY-FRRDWIJNSA-N 248.370 2.869 30 20 BFED C[C@@H]1CCC[C@H](N(C)CC2(C#N)CC2)C1 334266340 MMSCDKGOLCBHJF-NEPJUHHUSA-N 206.333 2.801 30 20 BFED Cc1ccccc1C(C)(C)NC(=O)[C@@H](C)C#N 334477801 QQGZNUXTUXULCJ-NSHDSACASA-N 230.311 2.506 30 20 BFED C[C@H](CC#N)N(C)C(=O)[C@@H]1CC12CCCCC2 334631931 VSCDACBPEUVSJA-NEPJUHHUSA-N 234.343 2.717 30 20 BFED 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2.815 30 20 BFED C#CCCCCCc1nnc(C2CC2)o1 1327785550 BHIKVYHZTNIWPL-UHFFFAOYSA-N 204.273 2.683 30 20 BFED C#CC(C)(C)N(C)Cc1cc(C)cc(C)n1 1333029151 KFPPWXHHKDLMFK-UHFFFAOYSA-N 216.328 2.542 30 20 BFED C=CC[C@H](NCc1ccc(C2CC2)cc1)C(=O)O 1333124448 ILNAHVRMNJVBDX-AWEZNQCLSA-N 245.322 2.683 30 20 BFED C#CCN(CC1CC1)C(=O)[C@H](C)C(CC)CC 1341295898 YAQLRYSKWBWRPT-GFCCVEGCSA-N 235.371 2.931 30 20 BFED CC(=NOC(C)(C)C)c1cncc(C)c1 1342672722 GXHFTKJKPYPNFZ-UHFFFAOYSA-N 206.289 2.929 30 20 BFED C=C(CC)CNC(=O)c1nc(C2CC2)cs1 1347024930 CGYKWHWXVBRXCB-UHFFFAOYSA-N 236.340 2.717 30 20 BFED C#C[C@@H](NCc1cccn1C1CC1)C(C)C 1347793049 VGMPSMIYPOXRLZ-CQSZACIVSA-N 216.328 2.570 30 20 BFED COc1ccc(O)c(/C=N\C/C=C/C2CC2)c1 1348488416 NWPILHXMOAZMRT-NZMBBGGOSA-N 231.295 2.786 30 20 BFED C=C(CC)C(=O)N1CC[C@H](c2cc(C)ccn2)C1 1548714980 SNIDPLUKUGKHBB-ZDUSSCGKSA-N 244.338 2.672 30 20 BFED C=CCCCCN[C@H](C(=O)O)C1CCCCC1 1602869363 CFZPIQGPBSKGRG-ZDUSSCGKSA-N 239.359 2.966 30 20 BFED C=CCCCCN(C)c1ncc(C(=O)O)s1 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30 20 BFED CCN(Cc1cc(C#N)n(C)c1)c1ccccc1 191467375 AGJCXMICPGRLGH-UHFFFAOYSA-N 239.322 2.923 30 20 BFED C=CCC1(C(=O)N(C)Cc2ccncc2)CCC1 191663369 ASFWVUBBHRVUSS-UHFFFAOYSA-N 244.338 2.786 30 20 BFED C#CCCCC(=O)Oc1ccc(CC)cc1 192051774 WYIOLUBNKKGQLX-UHFFFAOYSA-N 216.280 2.958 30 20 BFED C[C@@H]1CC(N[C@@H]2CCC[C@H](C#N)C2)C[C@@H](C)O1 193065320 JPRVURXYUJNVRF-FVCCEPFGSA-N 236.359 2.614 30 20 BFED C#CCCCNCc1sccc1Cl 193130449 JNOUDENJHXFWJP-UHFFFAOYSA-N 213.733 2.905 30 20 BFED Cc1cc(C(=O)/C=C\c2ccn(C)n2)c(C)s1 210383795 LIPBBDSNNVNYMJ-PLNGDYQASA-N 246.335 2.995 30 20 BFED C[C@@H]1SCC[C@@H]1NCc1cccc(C#N)c1 220577558 YLUPLWHMTVWERA-GWCFXTLKSA-N 232.352 2.542 30 20 BFED CC1(CNc2ccc(C#N)cc2F)CC1 224426959 OZTVVQCHUSQEJC-UHFFFAOYSA-N 204.248 2.909 30 20 BFED C[C@H]1C[C@@H](Nc2cc(F)cc(C#N)c2)CCN1C 227625502 LMGJHTGXZIWVPM-GWCFXTLKSA-N 247.317 2.592 30 20 BFED C#C[C@@H](CC)NC(=O)CCC1CCCCC1 233905223 PMXFNGINSKDRHU-ZDUSSCGKSA-N 221.344 2.875 30 20 BFED C[C@H](C#N)NC(=O)c1ccc(F)c2ccccc12 235186272 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Cc1cccc(CN(CCC#N)C(C)C)c1O 775655206 WXLIFKJQZYNBEY-UHFFFAOYSA-N 232.327 2.825 30 20 BFED COCCC[C@H](C)C(=O)OCCC(C)(C)C#N 778193932 FFKDRQZVBPTDIA-NSHDSACASA-N 241.331 2.532 30 20 BFED Cc1cccc(C=NN=c2cc[nH]cc2)c1C 779809302 IDNZZGNCNZYOGS-UHFFFAOYSA-N 225.295 2.566 30 20 BFED C[C@@H]1C[C@@H]1c1ccc(C=NN[C@@H]2CCCOC2)o1 780252184 RRRIMPCBQVOFDG-WZRBSPASSA-N 248.326 2.506 30 20 BFED C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@](C)(C#N)C2)C1 780797346 IYBKHWPVSUGAAY-YRGRVCCFSA-N 249.358 2.510 30 20 BFED CC[C@H](C#N)OC(=O)c1c(F)ccc(F)c1F 781209423 XEUAHFCXQSFTMK-ZCFIWIBFSA-N 243.184 2.563 30 20 BFED Cc1cc(C(=O)NO)c(C)n1C1CCCCC1 782172823 BRCKQWFKXNEMKP-UHFFFAOYSA-N 236.315 2.729 30 20 BFED CC(C)OCCNN=C1CC[C@@H](C)C[C@H]1C 783863741 RJJBFBQXIVYJRL-VXGBXAGGSA-N 226.364 2.813 30 20 BFED CCCCC[C@H](C)CC(=O)O[C@H](C#N)COC 785351321 YJAVIVZUQYLACX-NWDGAFQWSA-N 241.331 2.675 30 20 BFED C=CCCN(C)c1ccc([N+](=O)[O-])cc1C 786081757 BNUSUSJASKYBLK-UHFFFAOYSA-N 220.272 2.916 30 20 BFED C(=NOC[C@H]1CCOC1)c1c[nH]c2ccccc12 788034277 PWKPQAQPSJXHKU-NSHDSACASA-N 244.294 2.555 30 20 BFED CC[C@@H](C)NN=C1CCCc2nc(C)sc21 790182412 JSOKPTRVIWWCFP-MRVPVSSYSA-N 237.372 2.880 30 20 BFED C[C@H](NN=Cc1cccc2c1OCO2)C(C)(C)C 793110709 AMZFZVHBDBLOFB-JTQLQIEISA-N 248.326 2.773 30 20 BFED Cc1cnn(C)c1/C=C/C(=O)c1ccccc1 794692634 VDCGCBPCYBXUCA-CMDGGOBGSA-N 226.279 2.625 30 20 BFED C[C@@H]1CSCC1=NNc1nc2ccccc2[nH]1 794860713 XBFISASYKXXXLB-MRVPVSSYSA-N 246.339 2.714 30 20 BFED CCC(CC)CNN=C1CSC[C@@H]1C 794930085 CIBSQXKJOBJLTH-VIFPVBQESA-N 214.378 2.751 30 20 BFED CC(Cc1ccncc1)=NNc1ncccc1F 794983612 CJIRPXHCUWVBFB-UHFFFAOYSA-N 244.273 2.646 30 20 BFED CC(=NNc1cccc(F)n1)c1ccco1 795009495 AYFYRMNSIXGLLO-UHFFFAOYSA-N 219.219 2.650 30 20 BFED C=CCCCOC(=O)C(C)(C)C(F)F 795857667 WOYKMZFIPUZDDN-UHFFFAOYSA-N 206.232 2.787 30 20 BFED C=CCCOC(=O)CCCC1CCOCC1 798737012 VYYDIULWXZFLFI-UHFFFAOYSA-N 226.316 2.703 30 20 BFED C=C(C)CCOC(=O)c1ccccc1C(=O)OC 803337343 SDCZQCLROJXASQ-UHFFFAOYSA-N 248.278 2.596 30 20 BFED C[C@H]1CCC[C@H](OC(=O)c2cnccc2C#N)C1 807931743 WPYBRUHRWUTVHZ-JQWIXIFHSA-N 244.294 2.689 30 20 BFED CC(CC1CCC1)=NN[C@H]1CCSC1 808002603 BLTJVTQIWJLJFC-NSHDSACASA-N 212.362 2.648 30 20 BFED C#Cc1ccc(CN[C@H]2C[C@H](OC)C2(C)C)cc1 809624022 DNSVDNXQZPZGBT-GJZGRUSLSA-N 243.350 2.571 30 20 BFED Cc1ccc(O)c(C=NOC/C=C/Cl)c1 811669378 OPJZYRAIGKAOGS-VHDODGMTSA-N 225.675 2.804 30 20 BFED CC(CC1CCOCC1)=NOC/C=C\Cl 811672248 UUXVPLXMGOTZPC-HXJCTRKMSA-N 231.723 2.948 30 20 BFED C#CCON=C(C)c1c(F)cccc1Cl 812233882 ZRBXQIYDWGXUQX-UHFFFAOYSA-N 225.650 2.853 30 20 BFED C#CCOc1ccc(C(C)=NOC2CCC2)cc1 812234930 CTZRMMKAMMIFIA-UHFFFAOYSA-N 243.306 2.992 30 20 BFED CO[C@@]1(C)CC(=NOCCOC(C)C)C1(C)C 812239488 VEJWSZJCCULYTP-ZDUSSCGKSA-N 243.347 2.619 30 20 BFED C#C[C@@H](C)N(C)C(=O)NCCCCCCC=C 812372178 CWKHYDVCJMHQSI-CYBMUJFWSA-N 236.359 2.786 30 20 BFED CN(CCSC(C)(C)C)CC(C)(C)C#N 814669541 MOSWCKZGPFUAPE-UHFFFAOYSA-N 228.405 3.000 30 20 BFED Clc1ccc(Cl)c(NN=C2COC2)c1 814861660 YVMNDLCTUSVNBP-UHFFFAOYSA-N 231.082 2.792 30 20 BFED CC[C@@H](C=NN1CCCC1=O)c1ccccc1 814891608 OIKBUEYUAIMZAF-LBPRGKRZSA-N 230.311 2.788 30 20 BFED CC[C@H](C)CON=C1COc2cc(F)ccc21 814939433 QLLQOFCBEFNPMS-VIFPVBQESA-N 237.274 2.985 30 20 BFED C=CCOCCN1C[C@H](C)Oc2cc(C)ccc21 815057020 LLEOTDZQFJZWJV-ZDUSSCGKSA-N 247.338 2.785 30 20 BFED C=CCOCCOC(=O)/C=C/C(=C\C)CC 815218930 HZDWORGPSLXGBC-ZECXQIHBSA-N 224.300 2.645 30 20 BFED C=CCN(Cc1conc1CC)C(C)C 816489934 HSERVXUWGOQFQK-UHFFFAOYSA-N 208.305 2.633 30 20 BFED C=CCCCCOC(=O)C[C@@H](C)n1cccn1 821139640 FMRFEMIJFBDQOZ-GFCCVEGCSA-N 236.315 2.734 30 20 BFED CC[C@H](C)CC=NNc1nc(C)cc(C)n1 834912170 JRRIJNNOXJDOAX-VIFPVBQESA-N 220.320 2.927 30 20 BFED CCC(CC)CNN=Cc1ncc(C)s1 834972154 LZDWWVKLNPZAOL-UHFFFAOYSA-N 225.361 2.811 30 20 BFED C[C@H]1CCCC(=NNc2ccncn2)[C@H]1C 835002272 TXUDFHWOVJEXIO-UWVGGRQHSA-N 218.304 2.701 30 20 BFED C=CCC1(C(=O)OCCOCC)CCCC1 835078493 LHIAZZIRYGOLBW-UHFFFAOYSA-N 226.316 2.703 30 20 BFED C=CC(C)(C)C(=O)OCc1csc(CC)n1 835147566 DBAJGJWVNFIMOC-UHFFFAOYSA-N 239.340 2.961 30 20 BFED C#CC[C@H](OC(=O)[C@@H]1CC1(F)F)C(C)(C)C 835301318 CDFOUHQPRMFVFW-IUCAKERBSA-N 230.254 2.623 30 20 BFED C#CCC1(OC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)CCC1 835367610 XLJFSMJKXSPBJZ-FRRDWIJNSA-N 232.323 2.912 30 20 BFED CC(C)(CNC(=O)C#CC1CC1)c1cccs1 837420465 RMTDUONAASITNJ-UHFFFAOYSA-N 247.363 2.555 30 20 BFED Cc1occc1C(=O)O[C@H]1CCC[C@H](C#N)C1 839043482 JMFDPCONJRDDHG-QWRGUYRKSA-N 233.267 2.827 30 20 BFED CSC[C@H](C)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839053660 UFPRKGVQWZQIIS-AXFHLTTASA-N 241.356 2.611 30 20 BFED FC1(F)CC(CON=C2CCCOCC2)C1 842037794 BAWFZRQNNRRKGI-UHFFFAOYSA-N 233.258 2.605 30 20 BFED C=C(C)CONC(=O)Nc1cc(C)ccc1C 844479254 JZJAFIHSPAPVRH-UHFFFAOYSA-N 234.299 2.933 30 20 BFED C=C(C)CON=C(COC)C1CCCC1 844618398 SQFCMKDVGMBPHH-UHFFFAOYSA-N 211.305 2.772 30 20 BFED C=C[C@H](C)ON=Cc1sc(C)nc1C 844621096 DHWWFOZMDJXMRV-ZETCQYMHSA-N 210.302 2.685 30 20 BFED C/C(=C/c1ccco1)C(=O)OCC(C)(C)C#N 847678175 OZENSZSKKNGEBQ-YFHOEESVSA-N 233.267 2.776 30 20 BFED CC[C@@H](C)C=NNc1ccc(CC(=O)O)cc1 848414899 FRNXSZXEFNSJBD-SNVBAGLBSA-N 234.299 2.758 30 20 BFED C/N=C(/NC[C@@H]1CCCC(C)(C)C1)NC1CC1 849038312 NGRRCNOAKAKGDJ-LLVKDONJSA-N 237.391 2.530 30 20 BFED CC(C)(C#N)CCCOC(=O)CCCF 850194860 SUPYZJRMHJKFTH-UHFFFAOYSA-N 215.268 2.609 30 20 BFED N#CCOC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 850337323 YGYJHRXHVPMOLC-KBPBESRZSA-N 243.306 2.712 30 20 BFED C/C=C(/C)C(=O)O[C@H](C)CC(C)(C)C#N 851207715 GLRQQQKROLUTEO-ABRRARGCSA-N 209.289 2.824 30 20 BFED C#C[C@@](C)(CC)N[C@H](C)c1cccnc1 852099033 BSASILGVSAKVKL-YPMHNXCESA-N 202.301 2.534 30 20 BFED CCC(CC)NN=C1CCCc2scnc21 863094716 PUTPLJWCNKHERB-UHFFFAOYSA-N 237.372 2.962 30 20 BFED CCOC1CC(ON=Cc2cccc(F)c2)C1 863453304 GLSGEJSXTCXANI-UHFFFAOYSA-N 237.274 2.744 30 20 BFED CC(C)(C#N)CNc1nc2ccccc2nc1F 865669249 YKLILZHLYWZMSL-UHFFFAOYSA-N 244.273 2.731 30 20 BFED C=C(C)CON=Cc1ccccc1NC 872386408 LPZMALDYZJLGGH-UHFFFAOYSA-N 204.273 2.655 30 20 BFED C[C@H](C=NN1CCC1)CCc1ccccc1 872397493 ZMHMPNBAFKASQV-ZDUSSCGKSA-N 216.328 2.947 30 20 BFED C=CCSCCNC(=O)[C@H](CC)CCC 874246223 BLOWHRFDOCPSPB-LLVKDONJSA-N 229.389 2.848 30 20 BFED C=CC(C)(C)CC(=O)NC[C@@H]1CCCSC1 880006266 YHQVIMSGAATPQF-NSHDSACASA-N 241.400 2.848 30 20 BFED C=CC1(OC(=O)c2cnc(CCC)s2)CC1 893363110 RPPUFYOSQMWAOF-UHFFFAOYSA-N 237.324 2.971 30 20 BFED C=CC1(OC(=O)C[C@@H]2C=CCCC2)CC1 893364444 TWTXSYOPJMCEBS-LLVKDONJSA-N 206.285 2.995 30 20 BFED CCC#CCOC(=O)C1(c2cccc(F)c2)CC1 893839686 VTAAJUQJFUPXOC-UHFFFAOYSA-N 246.281 2.814 30 20 BFED CC(=O)C(C)=NOCc1ccccc1Cl 902758361 MBGRAQAITJWJBL-UHFFFAOYSA-N 225.675 2.822 30 20 BFED CC[C@H](N[C@@H]1COC[C@H]1C)c1ccc(C#N)cc1 903393188 IJIPGWLOQPDZCO-BYCMXARLSA-N 244.338 2.634 30 20 BFED C[C@@H](C(=O)OCc1cc(C#N)ccn1)C(C)(C)C 909012650 PGXHYVREYKKJOA-JTQLQIEISA-N 246.310 2.679 30 20 BFED CC(C)(C)CC(=O)NCCC#C[Si](C)(C)C 912336160 ZSUSSZLLHABBQO-UHFFFAOYSA-N 239.435 2.810 30 20 BFED CC1(C)CC[C@@H](NC(=O)N2CCC[C@@H](C#N)C2)C1 921752077 ZUKKGPAHPBJHBR-NWDGAFQWSA-N 249.358 2.510 30 20 BFED CC#CC(=O)N1CCC[C@H]1[C@@H](C)c1ccccc1 928384615 LDWMEAYQWTVPBV-ZFWWWQNUSA-N 241.334 2.804 30 20 BFED C=C[C@@H](C)NC(=O)N[C@H](C)c1ccc(F)cc1 1123649301 FTUADAUHHMSEAI-NXEZZACHSA-N 236.290 2.760 30 20 BFED CC1(C)CCC[C@@H]1NC(=O)c1csc(C#N)c1 1261260684 VGEFUNJAOBEVNN-NSHDSACASA-N 248.351 2.928 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)c1cc(C)cs1 1262812614 BVXGDPFDQPLBNQ-JTQLQIEISA-N 236.340 2.821 30 20 BFED CC[C@H](C)n1nccc1C(=O)O[C@H](C#N)C(C)C 1263366959 GHLUYINKQMVTDY-CMPLNLGQSA-N 249.314 2.559 30 20 BFED C=C(C)CCC(=O)OCc1ccc(C#N)cc1 1263373941 WGCNLWKOBJIZJK-UHFFFAOYSA-N 229.279 2.958 30 20 BFED C#CCN(CC1CC1)C(=O)c1cc[nH]c1C(C)C 1321862057 NOOLFEGOZTUZPJ-UHFFFAOYSA-N 244.338 2.624 30 20 BFED C#CCN(CCCCC1(C#N)CCC1)C1CC1 1332868689 FKZWAEUDKRFPBQ-UHFFFAOYSA-N 230.355 2.948 30 20 BFED C=C(C)CCC(=O)N1CCSC(C)(C)C1 1335839397 IVKOLIQBOKZDQF-UHFFFAOYSA-N 227.373 2.697 30 20 BFED CC(C)(C)[C@@H]1CCN1C(=O)c1ccc(C#N)s1 1336864631 QEVSKMQYZFHOCD-NSHDSACASA-N 248.351 2.880 30 20 BFED C=CC[C@@H](N[C@@H](C)CC1CCCC1)C(=O)O 1339135589 PVIUGNBBKTXQPX-CMPLNLGQSA-N 225.332 2.574 30 20 BFED C=C(CC)C(=O)N1CCC[C@@H]1CC(C)C 1346382557 YZKBVQKFRDDNIH-GFCCVEGCSA-N 209.333 2.990 30 20 BFED N#CCC1CCN(Cc2cccn2C2CC2)CC1 1347782597 QTRFZQRFYXCGCO-UHFFFAOYSA-N 243.354 2.949 30 20 BFED CC[C@H](C#N)N(CC)C(=O)c1ccc(Cl)o1 1349905939 GWRMMJKCGYTKDR-MRVPVSSYSA-N 240.690 2.697 30 20 BFED CCCN(Cc1ccc(C#N)cc1)[C@H](C)[C@@H](C)O 1559484553 YYCYOYXJGHVODT-CHWSQXEVSA-N 246.354 2.540 30 20 BFED C=CC[C@@H](NCCCCc1ccccc1)C(=O)O 1588746732 VNBOEBNKWITOAC-CQSZACIVSA-N 247.338 2.628 30 20 BFED CC(C)(CC=NNc1ccccc1)C(=O)O 1603591899 RXXNDIWOWXQRHP-UHFFFAOYSA-N 220.272 2.585 30 20 BFED O=C(/C=C\c1ccc(C(=O)O)o1)c1ccsc1 1610652949 UZKOPDKYXFARBA-IWQZZHSRSA-N 248.259 2.935 30 20 BFED C=C[C@H](C)ON=Cc1ccc(C)cc1C(=O)O 1776090261 AONFYGXTLUQFKZ-JTQLQIEISA-N 233.267 2.618 30 20 BFED CC#CCCCC(=O)Nc1cccc(C(=O)O)c1 3958638 MRBYHBVROADGPE-UHFFFAOYSA-N 245.278 2.517 30 20 BFED C[C@H](NCc1ccncc1)c1ccc(C#N)cc1 20139824 CHKARLHCJPHBLF-LBPRGKRZSA-N 237.306 2.804 30 20 BFED C=C(C)CN(CC)C(=O)c1ccccc1NC 42031873 XDCDPTPOAKPOFH-UHFFFAOYSA-N 232.327 2.767 30 20 BFED C[C@H]1CN(c2ccc(C#N)cc2)CC(C)(C)O1 44477590 MCWWOVWRZYMSIM-NSHDSACASA-N 230.311 2.562 30 20 BFED C=C(C)COC(=O)Cc1c[nH]c2ccccc12 45916230 VGVWBLIOZDJJCF-UHFFFAOYSA-N 229.279 2.830 30 20 BFED COCCN(Cc1cccc(C#N)c1)CC(C)C 47848426 YCTDJWGYRUGYEN-UHFFFAOYSA-N 246.354 2.663 30 20 BFED C#CCOC(=O)Cc1c(Cl)cccc1Cl 58818526 YSVORYIRMKIIAO-UHFFFAOYSA-N 243.089 2.712 30 20 BFED C[C@@H]1CCCC[C@H]1NCc1ccnc(C#N)c1 68751623 SQABILBRNKSFLM-BXUZGUMPSA-N 229.327 2.622 30 20 BFED C=CCCOC(=O)c1nccc2ccccc12 73090362 NKTAIBPATLUNQI-UHFFFAOYSA-N 227.263 2.968 30 20 BFED N#C[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 79827037 OJIXGGMOUXVPPN-JTQLQIEISA-N 247.273 2.593 30 20 BFED C[C@H](Nc1cccc(C#N)n1)c1ccc(C#N)cc1 80117706 RCTCNACZHNXXML-NSHDSACASA-N 248.289 2.998 30 20 BFED CC1(C)CCN(C(=O)c2cccc(CC#N)c2)C1 81353108 ATHDGLIKXCDWNG-UHFFFAOYSA-N 242.322 2.625 30 20 BFED N#Cc1cccc(N2CC[C@H]3CCCC[C@@H]3C2)n1 81617483 GTCNWCAVLPQDIF-CHWSQXEVSA-N 241.338 2.970 30 20 BFED CCOC(=O)[C@]1(CC)O[C@@]1(C)C1CCCC1 86166080 VETBGJPTHLNJHW-STQMWFEESA-N 226.316 2.677 30 20 BFED C[C@@H]1CC[C@@H](C)N(C(=O)C2(C#N)CCCC2)C1 88706423 DCGGTNGWKHZAAU-VXGBXAGGSA-N 234.343 2.717 30 20 BFED C[C@H]1C[C@H](Nc2ccc(C#N)cc2F)CCN1C 90795277 MLVXJQZAFQRGBV-CMPLNLGQSA-N 247.317 2.592 30 20 BFED C=CCNC(=O)N[C@H]1CCCc2ccc(F)cc21 92853378 LKEZYJUBXHUYAI-ZDUSSCGKSA-N 248.301 2.688 30 20 BFED CC(C)C1CN(Cc2ccc(C#N)cc2)C1 93965562 KXXXXLZGJFZSCQ-UHFFFAOYSA-N 214.312 2.646 30 20 BFED Cc1nn(C)cc1C(=O)/C=C\c1ccsc1 96130191 XOECOPMWBLQSRK-ARJAWSKDSA-N 232.308 2.686 30 20 BFED CC(C)[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1C#N 96523250 INZWRUAPUANYSM-JTQLQIEISA-N 247.298 2.947 30 20 BFED C=C(CC)CN1CCc2ccccc2[C@@H]1C(=O)O 97208269 HENNCRKNFSJPMS-CQSZACIVSA-N 245.322 2.637 30 20 BFED CCCCCCCN1CCC[C@@H](CO)C1 106462318 CNLROXMPZJFAKP-CYBMUJFWSA-N 213.365 2.661 30 20 BFED C=CCNC(=O)N[C@H]1CCC[C@@H]1c1ccccc1 111432550 MTEHJMVKQVRBJX-KGLIPLIRSA-N 244.338 2.808 30 20 BFED C#CCCOC(=O)[C@@H](C)CC1CCCC1 114618823 JBQMVNLKCSXPRD-NSHDSACASA-N 208.301 2.769 30 20 BFED C=CC[C@@H](C)NC(=O)CN(CC)c1ccccc1 116855013 BITKPPUGEREELS-CYBMUJFWSA-N 246.354 2.594 30 20 BFED C=C[C@H](C)N[C@@H](C)c1cccc(NC(C)=O)c1 119307806 PIZKKTPVLPXBFV-QWRGUYRKSA-N 232.327 2.870 30 20 BFED CN(Cc1cscn1)Cc1ccc(C#N)s1 120251955 QRHZVHCASADPNP-UHFFFAOYSA-N 249.364 2.708 30 20 BFED C=CCOc1ccc(OC(=O)C2(C)CC2)cc1 120442278 YHDJGCWCWIMRCK-UHFFFAOYSA-N 232.279 2.957 30 20 BFED CCN(Cc1ccc(C#N)cc1OC)CC1CC1 120943608 OAYKRDBSCULDLR-UHFFFAOYSA-N 244.338 2.799 30 20 BFED CC1(C)CC[C@H](Nc2cnccc2C#N)C1 122425076 BRIXRQACCKBADA-NSHDSACASA-N 215.300 2.944 30 20 BFED CC[C@H]1CC[C@@H](C)N1c1ncccc1C#N 124466948 FXMPAVKPOUQUOG-PWSUYJOCSA-N 215.300 2.721 30 20 BFED C=CC[C@@H](C)NCc1cccc(COC)c1 126885215 OLLMTFQENYOLRM-GFCCVEGCSA-N 219.328 2.887 30 20 BFED CC(C)(C)[C@H]1CCN(C(=O)C2(C#N)CCC2)C1 128492972 PUYCSOVYIMISFU-NSHDSACASA-N 234.343 2.575 30 20 BFED Cc1cccc(C)c1CO/N=C(\N)C(C)C 128564452 AERHAJSOVFEULR-UHFFFAOYSA-N 220.316 2.748 30 20 BFED C#CCCCCN[C@H](C)c1cnccc1C 130736751 RPYZPMLDIRPKJV-CYBMUJFWSA-N 216.328 2.844 30 20 BFED C=CCCN(C)CCOc1ccc(C)cc1 132403237 AJQBEOUYRSGRBL-UHFFFAOYSA-N 219.328 2.882 30 20 BFED C=C(Cl)CN1CCc2ccsc2C1 132545288 NFVHHVIXTQXQRU-UHFFFAOYSA-N 213.733 2.859 30 20 BFED CC(C)(C)CN(CCC#N)CCCF 133218635 YCUQGCBQKHOICY-UHFFFAOYSA-N 200.301 2.608 30 20 BFED C=CCC[C@@H](C)NC[C@H](O)c1ccc(C)o1 134924335 KSXUFIFAINRUES-PWSUYJOCSA-N 223.316 2.566 30 20 BFED C=CCOC(=O)c1ccnn1C(CC)CC 153052927 BGTAZUPOLPAFBK-UHFFFAOYSA-N 222.288 2.587 30 20 BFED C=CCN(C)Cc1c[nH]nc1-c1cccs1 154776120 LHGROTOIVGCNKR-UHFFFAOYSA-N 233.340 2.756 30 20 BFED C=CCCOCCNC(=O)C[C@H](C)CCC 155259232 WILVLWVQEJOVFK-GFCCVEGCSA-N 227.348 2.522 30 20 BFED C=CCCC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C 157145862 QYCQDAQCUAGPCO-LBPRGKRZSA-N 247.342 2.656 30 20 BFED C=C[C@H](C)N[C@@H]1CCc2c(F)cccc21 157252019 NNKXGCXJRKUMRG-TVQRCGJNSA-N 205.276 2.977 30 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30 20 BFED C=CCCC(=O)N[C@@H]1C[C@H]1Cc1ccccc1 266070945 FMAACGNDOLRZQN-ZIAGYGMSSA-N 229.323 2.700 30 20 BFED CCCC[C@@H](COC)Nc1ccc(C#N)nc1 267427848 VXKYFHPZTFQODD-ZDUSSCGKSA-N 233.315 2.570 30 20 BFED N#Cc1ccc2c(c1)N(C(=O)CC1CCC1)CC2 270159516 CBLCEDVGUUNKDN-UHFFFAOYSA-N 240.306 2.638 30 20 BFED CCC(CC)C(=O)N1CCc2ccc(C#N)cc21 270162634 CNQKZOZDPDWPLS-UHFFFAOYSA-N 242.322 2.884 30 20 BFED C#CCCN1CCC[C@H]1C[C@@H](O)c1cccs1 270519458 CHEXDAQOUKYMRY-QWHCGFSZSA-N 249.379 2.659 30 20 BFED Cc1cc(Cl)c(C(=O)N(C)CC#N)cc1C 272953915 MLUVCNSEWZCGDO-UHFFFAOYSA-N 236.702 2.552 30 20 BFED C=CCCCCNC(=O)N(CC=C)CC=C 274572580 DXBGYWLOJVPQET-UHFFFAOYSA-N 222.332 2.726 30 20 BFED C[C@@]1(Cc2ccccc2)CCCN1C(=O)CC#N 274766695 KVRRAIGQDRGPIW-HNNXBMFYSA-N 242.322 2.524 30 20 BFED CC[C@H]1[C@@H](C)CCN1c1ncccc1C#N 274784456 WXZCXAXDSILHLC-JQWIXIFHSA-N 215.300 2.578 30 20 BFED C=C[C@](C)(CC)C(=O)N(C)CC(F)(F)F 276154592 PLTLCIARSNILIK-SECBINFHSA-N 223.238 2.609 30 20 BFED CC#CC(=O)Nc1cc(C)c(Cl)cc1OC 277368371 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CO[C@H](c1ccccc1)[C@@H](C)NCC1(C#N)CC1 602644631 ZPTNKOJTFKMMDQ-OCCSQVGLSA-N 244.338 2.656 30 20 BFED CCC[C@@H](C#N)NC(=O)Cc1ccc(CC)cc1 610196623 RJMCBDYTZSZFNN-AWEZNQCLSA-N 244.338 2.600 30 20 BFED C[C@H](CCO)SCC#Cc1ccc(F)cc1 610914624 ZCDDMPKPMFTBAB-LLVKDONJSA-N 238.327 2.681 30 20 BFED COc1ccc(CN2CCC[C@@](C)(C#N)C2)cc1 612406413 LLLZRQLEDWYKFW-HNNXBMFYSA-N 244.338 2.821 30 20 BFED C=CCN(CC=C)CC(=O)c1ccccc1F 612913042 BXPYRSQYDBYFAA-UHFFFAOYSA-N 233.286 2.682 30 20 BFED C=CCCNC(=O)[C@@H]1C[C@@H]1c1sccc1C 617617108 WFZKQLQHYQWJRL-WDEREUQCSA-N 235.352 2.852 30 20 BFED C=CCCC(C)(C)NC(=O)c1ncoc1CC 620859214 YGIFKLMSJFYHNA-UHFFFAOYSA-N 236.315 2.712 30 20 BFED C=CCN(CCc1ccco1)Cc1ncc(C)[nH]1 628234823 OKCAZBNRKVPNHK-UHFFFAOYSA-N 245.326 2.542 30 20 BFED C=C(C)C(C)(C)C(=O)N1CCCC(F)(F)C1 650313824 SWMASKCUKMZQIZ-UHFFFAOYSA-N 231.286 2.846 30 20 BFED C=CC[C@@H](C)[C@H](C)N[C@H](CO)CC(C)C 658179079 CUFQTCJNKHLRIA-AGIUHOORSA-N 213.365 2.584 30 20 BFED C=CCCCCNC(=O)N[C@@H](CC)C1CC1 661034193 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20 BFED N#Cc1cc(F)ccc1COC(=O)C1=CCCC1 761543957 AYHYKSIBBXJQFT-UHFFFAOYSA-N 245.253 2.851 30 20 BFED N#CC1CCN(C(=O)C(F)=C2CCCC2)CC1 763031613 UWHFMSIQVVXGNA-UHFFFAOYSA-N 236.290 2.546 30 20 BFED CON=C(Cc1ccccc1[N+](=O)[O-])C1CC1 763165445 HVWNGYXJDIHLGN-UHFFFAOYSA-N 234.255 2.550 30 20 BFED FC(F)C1CC(=NNc2cncc(Cl)n2)C1 766017445 FWPDEFNGTFKGKV-UHFFFAOYSA-N 246.648 2.573 30 20 BFED CC1CC(C#N)(C(=O)OCCC(C)(C)C)C1 767424982 XNXNRYBIAPXYGZ-UHFFFAOYSA-N 223.316 2.906 30 20 BFED COc1cccc(CN(CCC#N)C(C)C)c1O 768765905 VVDVLBNVKIIJKR-UHFFFAOYSA-N 248.326 2.525 30 20 BFED Cc1cccc(C(=O)/C=C/c2ccn(C)n2)c1C 773153842 OMLPVVSECRGGNC-BQYQJAHWSA-N 240.306 2.933 30 20 BFED C=C(CC)COC(=O)CC[C@H]1CCCCO1 773519157 SFTNAFYWUSLEQY-GFCCVEGCSA-N 226.316 2.845 30 20 BFED COC(=O)c1coc(/C=C/C(=O)c2ccco2)c1 774134197 AOOGADREPHFUIR-SNAWJCMRSA-N 246.218 2.555 30 20 BFED CC(=NNCCOC(C)C)c1cccc(C)c1 778553001 YTCDYOGMPZIRQF-UHFFFAOYSA-N 234.343 2.734 30 20 BFED C#CCCCCCC(=O)N(C)[C@H](C)C1CC1 779771508 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2.640 30 20 BFED CCCCCCCC(=O)NCC1(C#N)CC1 797780582 OCBLLNTZJZUTHP-UHFFFAOYSA-N 222.332 2.767 30 20 BFED C=C(C)CCOC(=O)c1coc(C2CC2)n1 802096820 GPBAFEAUTYLPAS-UHFFFAOYSA-N 221.256 2.675 30 20 BFED N#CCCCCCC(=O)OC/C=C\Cl 805697301 XGESWPYAVJDXPF-ALCCZGGFSA-N 215.680 2.756 30 20 BFED C[C@H]1CC[C@@H](COC(=O)CCCCCC#N)O1 805697707 FAEDOYCUJVUVQP-RYUDHWBXSA-N 239.315 2.571 30 20 BFED C=C(C)COC(=O)C1=Cc2ccccc2OC1 806059880 QPRWGIVGTZNTQV-UHFFFAOYSA-N 230.263 2.582 30 20 BFED C#Cc1cncc(C(=O)N[C@@H](C)CCCC=C)c1 807195605 FXWAQMPEOHVBLF-LBPRGKRZSA-N 242.322 2.538 30 20 BFED COc1cc(C(C)=NOC/C=C/Cl)ccn1 811672334 WNOKDPVEJXLLGR-CVKONFARSA-N 240.690 2.583 30 20 BFED C[C@@H]1C(=NNc2ccccc2)CC[C@@H]1CC(=O)O 814684149 GAHHTNIEMMPFOG-WDEREUQCSA-N 246.310 2.975 30 20 BFED CC(C)CON=C1CCCc2ccc(N)cc21 814883872 FJKMWYWAGWZNDE-UHFFFAOYSA-N 232.327 2.982 30 20 BFED N#Cc1cccc2c1CCN2C/C=C\Cl 817284479 VRXQONIMDNSZSM-KXFIGUGUSA-N 218.687 2.673 30 20 BFED C=C(C)C(C)(C)C(=O)Nc1nccn1C1CC1 819576339 KSDGRDVLLIYLNU-UHFFFAOYSA-N 233.315 2.759 30 20 BFED C[C@H]1CCCC[C@H]1C(=O)OCC(C)(C)C#N 820556378 IAEJNGZJOMGDOM-WDEREUQCSA-N 223.316 2.906 30 20 BFED CCN(CCC#N)C[C@@]1(C)CC1(Cl)Cl 827969737 VPESOWDOBSGAKZ-SECBINFHSA-N 235.158 2.806 30 20 BFED C[C@@H](CC(C)(C)C#N)NCCOc1ccccc1 829180701 WXCOCCKOQONORS-ZDUSSCGKSA-N 246.354 2.983 30 20 BFED C=C(CC)CNc1nccc2c1C(=O)OC2(C)C 829458883 HZOPFRCFHRUSBO-UHFFFAOYSA-N 246.310 2.865 30 20 BFED C=C(CC)CNc1nc2ccccn2c1[N+](=O)[O-] 829460682 YFGOGUWDVDBMOQ-UHFFFAOYSA-N 246.270 2.621 30 20 BFED CC(C)(C)[C@H](C#N)NC(=O)c1ccc(CF)cc1 829736385 PXBWYEOIRFZMQY-LBPRGKRZSA-N 248.301 2.824 30 20 BFED CC/C(C)=C\C(=O)Nc1cc(C#N)ccc1NC 831649216 LEAFMCCTIQZBFD-YFHOEESVSA-N 243.310 2.895 30 20 BFED CC(CC1CCC1)=NN[C@H]1CCOC1(C)C 835017295 LXLHFBZRVIPUBR-LBPRGKRZSA-N 224.348 2.710 30 20 BFED C=CCCCOC(=O)C1(C)CCC(=O)CC1 835197598 UMMWDXYMHIFOAP-UHFFFAOYSA-N 224.300 2.645 30 20 BFED C=CC(C)(C)C(=O)OC[C@H]1CC1(Cl)Cl 835201990 AMRZILXUOYKMEW-SSDOTTSWSA-N 237.126 2.936 30 20 BFED C#CCCCCC(=O)OC[C@@H](OC)[C@@H](C)CC 835625120 AIBATMJWEQUGKI-QWHCGFSZSA-N 240.343 2.784 30 20 BFED C[C@@H](CC(C)(C)C)OC(=O)c1cccc(C#N)n1 835703453 CSNOVCIWHFDMSN-JTQLQIEISA-N 246.310 2.935 30 20 BFED C=CC(C)(C)COC(=O)[C@@H](C)OCC1CC1 835725885 JVHIZHPZKQMGMA-SNVBAGLBSA-N 226.316 2.557 30 20 BFED C#CCC[C@@H](C)OC(=O)[C@H](C)Oc1ccccc1 839032000 JSMXKKCJEPYFDU-OLZOCXBDSA-N 246.306 2.799 30 20 BFED N#C[C@@H]1CCC[C@H](OC(=O)C=C2CCC2)C1 839053068 IEKNKPKWFARKOH-NEPJUHHUSA-N 219.284 2.722 30 20 BFED CCCCCC(C)(C)C(=O)N(C)[C@@H](C)C#N 839365174 AWXBTMYRDWLYGM-NSHDSACASA-N 224.348 2.963 30 20 BFED C=C(Cl)CN[C@@H](CCO)c1cccs1 839550626 GSDMHPXWIJDIAK-VIFPVBQESA-N 231.748 2.514 30 20 BFED CCC(=NNc1ccc(Cl)nn1)[C@H]1C[C@H]1C 841604713 NMWHMJZOAKONDW-SFYZADRCSA-N 238.722 2.964 30 20 BFED C#CCCNc1ccc(OCC)cc1F 841708872 WQJMNBSUATXPPC-UHFFFAOYSA-N 207.248 2.660 30 20 BFED C#CCOc1cccc(OC[C@H](CC)OC)c1 842027679 GMJVGJMDWNYCFZ-LBPRGKRZSA-N 234.295 2.502 30 20 BFED C=C[C@](C)(CC)C(=O)OC[C@H](CC)OC 842092383 KGSFHRNSPCWCAJ-CMPLNLGQSA-N 214.305 2.557 30 20 BFED CCCON=Cc1cccc2cc[nH]c12 842550736 KFWNTVUDWSKFMP-UHFFFAOYSA-N 202.257 2.928 30 20 BFED CCCON=Cc1ncc(Br)s1 842552018 WWKNPVMISUILIK-UHFFFAOYSA-N 249.133 2.666 30 20 BFED C=C[C@@H](C)ON=Cc1nc2c(s1)CCCC2 844621204 WDZBYJWGVBKMBR-SECBINFHSA-N 236.340 2.947 30 20 BFED C=C[C@@H](C)ON=Cc1cccc(OC)c1F 844625705 OSMXBJUDUBKRQO-SECBINFHSA-N 223.247 2.759 30 20 BFED C=C[C@H](C)OC(=O)c1cccc2c1OCCCO2 845523115 TWQQJIQWDYUWCN-JTQLQIEISA-N 248.278 2.579 30 20 BFED C=C(C)CONC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C 845597016 JYBJYOULLXEEKG-SDDRHHMPSA-N 240.347 2.618 30 20 BFED C=C(C)CONC(=O)CCSCCCC 846537348 KSNOQRGKGDCAKI-UHFFFAOYSA-N 231.361 2.534 30 20 BFED CC(C)(C)C#CC(=O)NCC[C@@H]1C[C@H]2C=C[C@H]1C2 848292900 WHDRLCUUVGFSAY-MELADBBJSA-N 245.366 2.754 30 20 BFED C#C[C@](C)(CC)NCCOc1ccc(F)cc1 852097991 BZPUPGKECHHELA-CQSZACIVSA-N 235.302 2.596 30 20 BFED C[C@@H]1CCCCN1N=Cc1cccc2nccn12 853378881 DTHDZQODHYOBLK-GFCCVEGCSA-N 242.326 2.543 30 20 BFED C#C[C@@H](CC)NC(=O)N1CCCC[C@@H]1C(C)C 854072276 BKTNWVGEPSOGIX-QWHCGFSZSA-N 236.359 2.618 30 20 BFED CC[C@H]1CCC[C@@H]1CNC(=O)C#CC(C)C 854748220 JMOSGRBCVJUNQW-QWHCGFSZSA-N 221.344 2.588 30 20 BFED C=CCC1(NC(=O)C(C)=C(C)C)CCOCC1 855686280 BUCSBQRUMRBTET-UHFFFAOYSA-N 237.343 2.584 30 20 BFED CC[C@](C)(C#N)NC(=O)/C=C(\C)c1cccs1 857599729 FYRXVMOVCUCXAE-AORWBKJGSA-N 248.351 2.960 30 20 BFED CCCOC(=O)Oc1ccc(CC#N)cc1 858881281 UAFZPGUNCQUFTG-UHFFFAOYSA-N 219.240 2.678 30 20 BFED C#CC[C@H](CCOC)NC[C@H]1C(C)=CCC[C@@H]1C 862548885 PSDQQNREOTWWSK-XHSDSOJGSA-N 249.398 2.997 30 20 BFED C=C(C)C[C@H](NCc1cccc(CC)c1)C(=O)O 864530388 XHOUUOKESUDNSS-AWEZNQCLSA-N 247.338 2.758 30 20 BFED CCN(CC#N)Cc1cccc(Cl)c1C 876631879 NRBMYEUQEXCNIC-UHFFFAOYSA-N 222.719 2.994 30 20 BFED C=CCN(Cc1ccc(C)cc1O)C1CC1 877329588 SIJDDFNWTZSNFX-UHFFFAOYSA-N 217.312 2.851 30 20 BFED CN(C(=O)CC1(C#N)CCCCC1)c1ccon1 892456937 AEEDUYIAZSNVQK-UHFFFAOYSA-N 247.298 2.502 30 20 BFED C=C1CCC(C(=O)O[C@@H](COC)C2CC2)CC1 892866654 ACDKZWIBLLWFTL-ZDUSSCGKSA-N 238.327 2.701 30 20 BFED C=C(Cl)COc1cn(C(C)C)nc1C(C)=O 902627802 PNSGHRRRIGLOHD-UHFFFAOYSA-N 242.706 2.798 30 20 BFED CN(CC1CCCC1)C(=O)c1ccsc1C#N 906450840 HCRRWSHMDHXFRY-UHFFFAOYSA-N 248.351 2.882 30 20 BFED C/C(=C\C(=O)OCCCCC#N)C1CC1 919543813 FIOMWFLGWWJGDB-MDZDMXLPSA-N 207.273 2.580 30 20 BFED Oc1ccccc1/C=N\CCc1ccco1 920944665 HGIPKZQKOQXAFE-UVTDQMKNSA-N 215.252 2.647 30 20 BFED C=C[C@H](CC)CC(=O)Nc1cccc(CO)c1 929365307 YDGVMLLJVRYPSR-LLVKDONJSA-N 233.311 2.720 30 20 BFED C=C(CC(C)C)C(=O)Nc1cnc(C2CC2)nc1 1123553814 LBORTCCQWWGDTO-UHFFFAOYSA-N 245.326 2.895 30 20 BFED C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NC(C)C 1135330139 LMGDYHOGXBKYLW-OLZOCXBDSA-N 240.391 2.624 30 20 BFED C=CCCCCn1nnc(-c2ccc(F)cc2)n1 1261262354 VLOACNQEMIZBSE-UHFFFAOYSA-N 246.289 2.836 30 20 BFED CCC[C@@H](C)NC(=O)CC#Cc1ccccc1 1323857974 UNXWSCVKIXNPAY-CYBMUJFWSA-N 229.323 2.733 30 20 BFED Clc1ccc(C=NOCC2CCC2)nc1 1330887785 LUHVDCLDCLOTEW-UHFFFAOYSA-N 224.691 2.886 30 20 BFED C=CCC[C@H]1CCCN1C(=O)CC(C)(C)OC 1339153489 QMKKTVPUVJKDER-LBPRGKRZSA-N 239.359 2.759 30 20 BFED C=CC(C)(C)COC(=O)c1cc2cccn2cn1 1343700346 FPSFZEFKKYWKCC-UHFFFAOYSA-N 244.294 2.703 30 20 BFED C=C[C@H](CC)CC(=O)OCc1cncn1CC 1344970802 DNIQDYCPEFUJFP-LLVKDONJSA-N 236.315 2.549 30 20 BFED C#Cc1cccnc1N1CC(C)(C)C1(C)C 1350474105 KQTATGAIDFUEIA-UHFFFAOYSA-N 214.312 2.688 30 20 BFED Cc1cccc(C)c1CNc1cc(C#N)cnn1 1458281773 PUJJFKWONLWPIC-UHFFFAOYSA-N 238.294 2.577 30 20 BFED CCCC[C@@H](CCC)CN=c1cc[nH]c(C#N)n1 1472724139 BQIXDHSHPFCYNU-GFCCVEGCSA-N 246.358 2.789 30 20 BFED C=CCN(CC1CCCCC1)C(=O)[C@H]1C[C@@H]1F 1527577927 WSXQJXCEDKJPHR-STQMWFEESA-N 239.334 2.939 30 20 BFED C=C(CC(C)C)C(=O)N[C@H]1CCO[C@@H](CC)C1 1548721604 DEYHIHZCLDAGQH-STQMWFEESA-N 239.359 2.663 30 20 BFED C=C(C)CN1CCC[C@@H](c2ccnc(C)n2)C1 1559491267 CDDRVRUXGCBPMN-CYBMUJFWSA-N 231.343 2.541 30 20 BFED COc1cc(CSc2ccc(C#N)cc2)on1 1613488839 WKHKVQCWKWNXBS-UHFFFAOYSA-N 246.291 2.847 30 20 BFED CCN(CCC#N)Cc1cc(C)ccc1NC 1621222869 IZKYXNBLMDGPNH-UHFFFAOYSA-N 231.343 2.772 30 20 BFED C=C1CC(CN2[C@H](C)CC[C@H](C(=O)O)[C@H]2C)C1 1776144131 OTRPUIRYSNDZHA-WZRBSPASSA-N 237.343 2.526 30 20 BFED Cc1ccc(NC(=S)N(C)CCC#N)c(C)c1 16212893 VKBPLJADTDGLSG-UHFFFAOYSA-N 247.367 2.846 30 20 BFED CC(C)N1CCC(Nc2ccc(C#N)cc2)CC1 19950780 NKQDDJNYPQVOHJ-UHFFFAOYSA-N 243.354 2.843 30 20 BFED CCN1CCC[C@H]1CNc1ccc(C#N)cc1F 37412594 ZEJPGQKHWDZVKU-LBPRGKRZSA-N 247.317 2.594 30 20 BFED C[C@@H]1CCCN1Cc1ccccc1C#N 37910725 IFDXJKUGNAIVLG-LLVKDONJSA-N 200.285 2.543 30 20 BFED CC[C@@H]1CCCN1CCOc1cccc(C#N)c1 37913776 FBZCOKFLDNCZSS-CQSZACIVSA-N 244.338 2.811 30 20 BFED CC[C@H]1CO[C@@H](C)CN1Cc1cccc(C#N)c1 42225094 HNTLUDSXSXNCEA-WFASDCNBSA-N 244.338 2.558 30 20 BFED C=CCSCC(=O)N[C@@H](C)c1cccs1 44315252 ZCNUDIVGRFYBJL-VIFPVBQESA-N 241.381 2.845 30 20 BFED CCCN(CC#N)C(=O)c1cc(C)ccc1C 44373278 WLZICWONWNRBML-UHFFFAOYSA-N 230.311 2.679 30 20 BFED CC[C@@H](C#N)C(=O)N1CCCc2cc(C)ccc21 44812427 ZAPZHBZKZQDPOC-LBPRGKRZSA-N 242.322 2.824 30 20 BFED CC[C@@H](C#N)C(=O)NC(C)(C)CC(C)(C)C 44827863 RQVCUBSLUZWSJA-JTQLQIEISA-N 224.348 2.867 30 20 BFED N#Cc1ccnc(NC(C2CC2)C2CC2)c1 49235867 CSKGSODRQVBNNS-UHFFFAOYSA-N 213.284 2.554 30 20 BFED CCC[C@@H](CC)Nc1ncc([N+](=O)[O-])cc1C#N 50164926 UMHVPUMIGBHYMY-SNVBAGLBSA-N 248.286 2.852 30 20 BFED N#CCCCNC(=O)c1ccc2ccccc2c1 54138083 VGORTYZPZFKDBU-UHFFFAOYSA-N 238.290 2.873 30 20 BFED CCC1CCC(CNc2nccnc2C#N)CC1 54377540 JZKPSMMDALBFMM-UHFFFAOYSA-N 244.342 2.977 30 20 BFED Cc1cc(O)c(CN2CCC(C#N)CC2)cc1C 57824079 SJFYBQKIZCOFKW-UHFFFAOYSA-N 244.338 2.745 30 20 BFED C=C(C)CSc1nnc(N2CCCC2)s1 64656250 LAIIMBMSMIOUEI-UHFFFAOYSA-N 241.385 2.807 30 20 BFED CN(CC#N)Cc1csc(-c2ccsc2)n1 68971731 MNRLXAIQACJBLJ-UHFFFAOYSA-N 249.364 2.827 30 20 BFED CC[C@@H](Nc1ncccc1C#N)c1ccncc1 78306433 QMPDPLKSMAVBDC-CYBMUJFWSA-N 238.294 2.911 30 20 BFED CCCCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 80838976 AETLJIJAIABSSZ-UONOGXRCSA-N 242.322 2.578 30 20 BFED CCCCN(C(=O)CC#N)c1ccccc1 81581542 SSGUXCABQSZNHQ-UHFFFAOYSA-N 216.284 2.733 30 20 BFED C=C(C)COCCNCc1c(C)cccc1C 91062993 VPCZJOHWDYDSMH-UHFFFAOYSA-N 233.355 2.986 30 20 BFED C[C@H](CC#N)N(C)Cc1cccc2[nH]ccc12 93091144 WSRIIOLFUJDINP-LLVKDONJSA-N 227.311 2.902 30 20 BFED CCCN(CC#N)C(=O)c1ccc(C)cc1F 94205171 JLIHMGYGXOPXMM-UHFFFAOYSA-N 234.274 2.510 30 20 BFED C#CCN(CC)C(=O)CCCc1cccs1 108911849 PTSPZTMWCBQHQV-UHFFFAOYSA-N 235.352 2.553 30 20 BFED C=CC[C@H](C)NC(=O)c1ccc(C)c(F)c1 116859932 NEOJTFVHVJJUIA-JTQLQIEISA-N 221.275 2.829 30 20 BFED C=CCC[C@@H](NCC(O)(CC)CC)C1CC1 120704699 CONNEBCFSPVRRI-CYBMUJFWSA-N 225.376 2.872 30 20 BFED C=CCNC(=O)c1ccc(Cl)c(C)c1 125217923 HAMKTINVEWTISH-UHFFFAOYSA-N 209.676 2.564 30 20 BFED C[C@@H]1CCC[C@H]1Nc1cccnc1C#N 133442583 VFDSOYVIFYATPQ-NXEZZACHSA-N 201.273 2.554 30 20 BFED Cc1ccnc(NC[C@@]2(C)CCCS2)c1C#N 135086726 BIRMUPTYHBLZOE-CYBMUJFWSA-N 247.367 2.959 30 20 BFED N#Cc1ccc(NCC2(CO)CCCC2)c(F)c1 135104867 QHYWQOQANZYKMB-UHFFFAOYSA-N 248.301 2.662 30 20 BFED CC[C@@](C)(C#N)C(=O)N1CCCCC[C@H]1C 136256894 QNILMCMPMPUBMX-YPMHNXCESA-N 222.332 2.717 30 20 BFED CS[C@H](C)CC(=O)Nc1ccc(C#N)cc1 156347993 WKPYYWAJVBTDKS-SECBINFHSA-N 234.324 2.638 30 20 BFED C=C(C)CNC(=O)N[C@H](C)Cc1cccs1 156828080 QIAMCNHGWOQDMY-SNVBAGLBSA-N 238.356 2.554 30 20 BFED C=CCN(C)C(=O)c1cc(F)c(Cl)cc1F 161410009 YIPBVYSBMFHXBR-UHFFFAOYSA-N 245.656 2.876 30 20 BFED CS[C@H]1CCCCN(C(C)(C)C#N)C1 161972401 SDIJWNSMSHKTQN-JTQLQIEISA-N 212.362 2.506 30 20 BFED C=CCCNC(=O)CSCc1cccc(C)c1 162225396 ICRGXHPXBRTDEM-UHFFFAOYSA-N 249.379 2.921 30 20 BFED COc1cccc(CN2CCC[C@H](C#N)C2)c1F 165907725 CEHYPQPAPOAZLD-LLVKDONJSA-N 248.301 2.570 30 20 BFED C[C@@H](C#N)CN(C)c1nccc2ccccc12 168629015 KLIDBSNQNHFZPU-NSHDSACASA-N 225.295 2.831 30 20 BFED C#CCCCNC(=O)Nc1ccc2c(c1)CCC2 174522612 ZSLNDAAGXUAMOE-UHFFFAOYSA-N 242.322 2.710 30 20 BFED C=C(C)CCOC(=O)c1csc([N+](=O)[O-])c1 174798449 CSROIGOTMZJFQJ-UHFFFAOYSA-N 241.268 2.779 30 20 BFED C=CCCCC(=O)N1C[C@H](C)C[C@@H](C)C1 175102459 BMUSPFJXIKHALV-VXGBXAGGSA-N 209.333 2.847 30 20 BFED CCC1(CNC(=O)Nc2cccc(C#N)c2)CC1 176388524 CGFDBTTYDGQFLT-UHFFFAOYSA-N 243.310 2.870 30 20 BFED N#C[C@H](OC(=O)c1cc2c(s1)CCC2)C1CC1 177026152 QXWZOZPNDVZFMM-JTQLQIEISA-N 247.319 2.696 30 20 BFED C#CCCCN[C@H]1CCCc2nc(C)sc21 178059759 GUVARUCULZNGDN-NSHDSACASA-N 234.368 2.832 30 20 BFED C#CCCCN[C@H](C)c1cnn(C(C)C)c1 178061390 RCSOPILTUUGRKC-GFCCVEGCSA-N 219.332 2.528 30 20 BFED C=CCCCC(=O)N1C[C@H]2CCCC[C@H]2C1 178340798 SBRFWVXRNNHTKE-BETUJISGSA-N 221.344 2.991 30 20 BFED CC[C@@H](NCC#N)C(C)(C)c1ccccc1 180003160 RJKABYIVOWAKGM-CYBMUJFWSA-N 216.328 2.856 30 20 BFED Fc1ccccc1CO/N=C1/CCCOCC1 180489334 SFJYILFAUKIIIS-QINSGFPZSA-N 237.274 2.899 30 20 BFED CC#CCCCC(=O)N[C@@H]1CCCC1(C)C 185790339 PUCXIJXMODYANN-GFCCVEGCSA-N 221.344 2.875 30 20 BFED C#C[C@H](C)NC(=O)C[C@@H](CC)c1ccccc1 186039568 XTWYXEHQJNKRGL-QWHCGFSZSA-N 229.323 2.708 30 20 BFED C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)CC1CC1 188768518 VNPRRYKDKUVOGN-FZMZJTMJSA-N 239.359 2.520 30 20 BFED C=C(C)CN(CC)Cc1ccc(F)nc1 189280728 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20 BFED C=CCC[C@H](CO)N[C@H](C)c1ccccc1C 320650280 OVYUEDNEIPXUDQ-ZIAGYGMSSA-N 233.355 2.973 30 20 BFED C#C[C@@H](NC(=O)C(C)(C)C1CCC1)C(C)C 322684071 MXXSXRDUYBDOPX-GFCCVEGCSA-N 221.344 2.587 30 20 BFED CCc1ocnc1/C(O)=N/[C@H]1C=CCCC1 329809612 QEHDSMXCXSANPW-VIFPVBQESA-N 220.272 2.650 30 20 BFED OC(=Nc1ccccc1O)[C@@H]1CCCN1C1CC1 330242268 GCERSUFESGITQE-LBPRGKRZSA-N 246.310 2.607 30 20 BFED CCC1(C/N=C(/O)c2ccoc2)CCOCC1 330651814 YFAOXVZFVUEUGN-UHFFFAOYSA-N 237.299 2.791 30 20 BFED C=C[C@H](C)/N=C(/O)Nc1nc(CC)c(C)s1 330942030 ZKLQMENMCKQEEL-ZETCQYMHSA-N 239.344 2.914 30 20 BFED Cc1occc1/C(O)=N/[C@@H](C(C)C)C(C)(C)O 331132092 QJFVFVKMSFSQJL-NSHDSACASA-N 239.315 2.688 30 20 BFED CC[C@H](C)n1ncc(N/C(O)=N/C(C)C)c1C 331151697 UPBPZLPMPUNWLA-VIFPVBQESA-N 238.335 2.897 30 20 BFED CCOC(=O)[C@H](C)C/N=C(/O)C1=C(C)CCC1 331246623 SMDLXAXYJQKKKI-SNVBAGLBSA-N 239.315 2.643 30 20 BFED Cc1oc(C#N)cc1C(=O)N1C[C@H](C)[C@H](C)[C@H]1C 332729537 UADOTFGAJYNTCO-LPEHRKFASA-N 246.310 2.576 30 20 BFED 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2.572 30 20 BFED N#Cc1cc(-c2ccccc2)nn1C(F)F 409443051 GBIAAYWSYYCMST-UHFFFAOYSA-N 219.194 2.817 30 20 BFED C[C@H](CCC#N)N(C)CC1(O)CCCCCC1 411569438 LZDAJVNVHVQYIL-CYBMUJFWSA-N 238.375 2.696 30 20 BFED C=CCC[C@@H](CC)N[C@H](C)c1csnn1 414299691 KBJCGZOWIRQAEY-NXEZZACHSA-N 225.361 2.934 30 20 BFED N#Cc1ccc(CN[C@@H]2C[C@H]2c2ccco2)cc1 414587709 PZUQAIUNMNFUFU-ZIAGYGMSSA-N 238.290 2.797 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@H](CC)[C@@H]1CCCO1 424745824 DBRUMEISHFFXOG-NEPJUHHUSA-N 239.359 2.663 30 20 BFED CC(C)[C@H]1N(C[C@H](C#N)CCC#N)CC12CCC2 427187091 PTOWMALDYZOOQT-UONOGXRCSA-N 245.370 2.940 30 20 BFED Cc1ccc(CCCCC(=O)NCCC#N)cc1 427617681 JKAVYTCXLWKXDY-UHFFFAOYSA-N 244.338 2.738 30 20 BFED C=CC[C@@H](CC)N=c1[nH]c2ccc(F)cc2n1C 431421280 JXUCIKSCWRDSOH-LLVKDONJSA-N 247.317 2.901 30 20 BFED C=CCC(C)(C)CNC(=O)N[C@H]1C=CCCC1 432100488 XRWLXGZDVFODEW-LBPRGKRZSA-N 236.359 2.997 30 20 BFED Cc1ccccc1OCCN[C@@H]1CC[C@H](C#N)C1 442785161 XCMWJYSJRNKXAY-UONOGXRCSA-N 244.338 2.656 30 20 BFED CCC(CC)CN(CC)C(=O)[C@]1(C#N)C[C@@H]1C 448701273 RVUBFDQLNJBOPX-FZMZJTMJSA-N 236.359 2.821 30 20 BFED C=C(CC)CNCc1cnc2ccc(C)cn12 449731118 HDXPVCJZSIQZOF-UHFFFAOYSA-N 229.327 2.699 30 20 BFED N#CCCCN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 451620183 MXSMRAFODBQVGN-KGLIPLIRSA-N 248.370 2.571 30 20 BFED C=C(C)CCNS(=O)(=O)CCCC(C)(C)C 451804023 TYXMFYAVFJLIBY-UHFFFAOYSA-N 247.404 2.698 30 20 BFED C=CCC1(C(=O)N(C)CC#CC)CCCC1 452165648 HFBHMDVZOUGBJY-UHFFFAOYSA-N 219.328 2.605 30 20 BFED C=CCC1(NC(=O)c2cc(C)on2)CCCCC1 456383426 OXNITFVGQXIZGC-UHFFFAOYSA-N 248.326 2.992 30 20 BFED C=CCC[C@H](CC)N[C@@H](C)c1ccn(C)n1 459743528 GUPZWCWOADKEDW-RYUDHWBXSA-N 221.348 2.816 30 20 BFED C=CCC[C@H](C)N[C@@H]1C[C@H](OC)C12CCC2 459791850 SAKXUFPRRJYRJY-XQQFMLRXSA-N 223.360 2.888 30 20 BFED C=CCCCCCN1CC[C@@H](COC)C1 488435464 SKYSNQROKGDGSY-CYBMUJFWSA-N 211.349 2.701 30 20 BFED C#CCN(CC)C(=O)C[C@@H]1CCC[C@@H](C)C1 490604085 HRVKWLJPXCRODO-CHWSQXEVSA-N 221.344 2.685 30 20 BFED C#CCN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 491267424 SYRMIZOWFBWANN-CQSZACIVSA-N 239.322 2.641 30 20 BFED C#C[C@@H](C)N(C)C(=O)c1csc2c1CCCC2 491627711 LFIMFLZOKOTCJH-SNVBAGLBSA-N 247.363 2.721 30 20 BFED C#C[C@H](CC)NC(=O)[C@H](C)Cc1ccc(C)cc1 491676405 WIQWLZABGMWTSO-UKRRQHHQSA-N 243.350 2.702 30 20 BFED CC[C@@H](CC#N)NC(=O)/C=C/C1CCCCC1 492578350 DSTHXKMIMOJJAU-XEHSLEBBSA-N 234.343 2.931 30 20 BFED C[C@H](C#N)N(C)C(=O)/C=C/Sc1ccccc1 493695812 QGDDTJAUAVCZQN-ANYFNZRUSA-N 246.335 2.663 30 20 BFED CC[C@H](C)[C@H]1CCCCN1c1cc(C#N)ncn1 516703896 GOYPTGSLKAAECW-WCQYABFASA-N 244.342 2.753 30 20 BFED C[C@H]1CC(F)(F)CCN1c1ccnc(C#N)c1 528210217 UTZOOMBIWCRDDM-VIFPVBQESA-N 237.253 2.577 30 20 BFED CC[C@@H](C)[C@H](C)C(=O)Nc1cc(CC#N)ccn1 541870246 CQMHQGDPSTUZJS-MNOVXSKESA-N 245.326 2.768 30 20 BFED C=CCCCCNC(=O)N=c1cc(C)[nH]cc1C 545330192 WFDBACJMOZLBGV-UHFFFAOYSA-N 247.342 2.598 30 20 BFED CC[C@](C)(C#N)NC(=O)c1ccn(C(C)C)c1C 559369997 KNMNWORLVFFNGB-CQSZACIVSA-N 247.342 2.800 30 20 BFED C=C[C@@](C)(CC)C(=O)NCc1ccc(C)cn1 567616001 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BFED CC[C@@H](C#N)NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 613907294 MGJVSVRGXKGPMK-SDDRHHMPSA-N 234.343 2.643 30 20 BFED OC1(CC#Cc2ccccc2)CCCC1 616581109 FTIOIRBRQVHPPV-UHFFFAOYSA-N 200.281 2.733 30 20 BFED C=CC(C)(C)C(=O)NC[C@@H](CCC)OCC 628341991 XZYLUFNMPQDPAH-LLVKDONJSA-N 227.348 2.520 30 20 BFED C=C(CC)CNC(=O)NC[C@H]1Cc2ccccc21 653269988 NXZXFTVBTYKRMG-CYBMUJFWSA-N 244.338 2.592 30 20 BFED C=CCCCCCN1C[C@@H](C)[C@](C)(CO)C1 662142904 LBXCWDAGEVUBHI-KGLIPLIRSA-N 225.376 2.683 30 20 BFED C=CCCC(C)(C)NC(=O)Nc1ccccn1 664469301 HVNNVVSEJVIAJP-UHFFFAOYSA-N 233.315 2.948 30 20 BFED CCC#C[C@H](C)N[C@H](COC)c1ccc(CC)o1 680395596 MGITXGGJHVXFMK-GXTWGEPZSA-N 249.354 2.921 30 20 BFED C#CCN(C(=O)[C@@H]1CCC[C@@H](C)C1)C(C)C 688837062 MBTFJLKUPIMFFA-CHWSQXEVSA-N 221.344 2.683 30 20 BFED Cc1nc(C#N)cc(N2CCC[C@@H](C(C)C)C2)n1 694406104 XESVNFKQYSGWDQ-GFCCVEGCSA-N 244.342 2.529 30 20 BFED C#CCCOC(=O)[C@H](CC)c1ccccc1 727041584 DOMUGHUHEGDZKB-CYBMUJFWSA-N 216.280 2.747 30 20 BFED Clc1nccnc1NN=Cc1cccs1 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243.257 2.548 30 20 BFED CC(C)CC1(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 442679318 LRJZUOXZRBTJTD-NWDGAFQWSA-N 234.343 2.621 30 20 BFED C=C(C)CCNC(=O)[C@H](C)Oc1ccccc1 448550464 CFIJKVYXPQDVIR-LBPRGKRZSA-N 233.311 2.536 30 20 BFED C[C@H](C#N)NC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 448814882 XPXCVITXNMZMBV-MRVWCRGKSA-N 242.322 2.599 30 20 BFED C=C1CCN(C(=O)C[C@@H]2CC[C@H]3C[C@H]23)CC1 448915325 WVSGZSLNNZLEND-AVGNSLFASA-N 219.328 2.601 30 20 BFED CC[C@H](C)CN(C)C(=O)[C@@]1(C#N)CC12CCCC2 448951265 OUERPZNQPTZWMS-WFASDCNBSA-N 248.370 2.965 30 20 BFED CC(F)(F)CCN[C@@H]1CCC[C@@H](C#N)C1 449355004 UGILPDYCFBVNFZ-NXEZZACHSA-N 216.275 2.704 30 20 BFED C=C[C@@H]1OCC[C@H]1NC[C@@H]1C(C)=CCC[C@@H]1C 449520803 QIVGVQZSPTYMPT-YJNKXOJESA-N 235.371 2.912 30 20 BFED CC1CCC(C)(CNC(=O)[C@]2(C#N)C[C@@H]2C)CC1 451335880 DYOBVYVUWYUCTR-SROGKVSYSA-N 248.370 2.869 30 20 BFED C=C(C)CCNC(=O)c1ccc(C(F)(F)F)[nH]1 452740102 NDRYEZYCWKUKNB-UHFFFAOYSA-N 246.232 2.730 30 20 BFED C[C@@H]1CCCC[C@@]1(C)NC(=O)CCCC#N 457247103 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2.858 30 20 BFED CC(C)SCC(=O)NCC(C)(C)CCC#N 554078511 JVDCYDBJDVAIAI-UHFFFAOYSA-N 242.388 2.574 30 20 BFED C=C(C)Cn1c(CC)nnc1N1CCC(=C)CC1 555242506 NUXOIENKWBVJJU-UHFFFAOYSA-N 246.358 2.573 30 20 BFED C[C@H]1CCc2c(F)cccc2[C@H]1NCCC#N 562989682 QCQGSSCPXNJIRV-HZMBPMFUSA-N 232.302 2.952 30 20 BFED Cc1csc(NC(=O)NC2CCC2)c1C#N 564465660 RPNNBDFYTIYCOX-UHFFFAOYSA-N 235.312 2.602 30 20 BFED CC(=O)[C@H](C)S[C@@H](C#N)c1ccccc1 564666169 FXJZGHUKNCTAJM-JQWIXIFHSA-N 219.309 2.962 30 20 BFED N#Cc1ccnc(N2CCCC3(CCCC3)C2)n1 578603936 PCYDQVWNDBNFSY-UHFFFAOYSA-N 242.326 2.509 30 20 BFED CC(C)(CC#N)CNC(=O)[C@@H]1CC12CCCC2 582471395 IOTROGOFBQPYHT-NSHDSACASA-N 234.343 2.623 30 20 BFED C=CCC(C)(C)CNC(=O)NC1(C2CC2)CC1 583009784 RURRKWGSEZOJJI-UHFFFAOYSA-N 236.359 2.831 30 20 BFED CC[C@](C)(NC(=O)CCCC#N)C(F)(F)F 584087530 HVRPRWAWYQNFIT-VIFPVBQESA-N 236.237 2.527 30 20 BFED N#C[C@H]1CC[C@@H](N2CCOCC3(CCCC3)C2)C1 590175328 SEWFDPIPVSEYDL-UONOGXRCSA-N 248.370 2.571 30 20 BFED N#Cc1ccc(CN[C@]23CCC[C@H]2C3)cc1F 594949690 HBGBGNWZWMZMJY-JSGCOSHPSA-N 230.286 2.730 30 20 BFED N#Cc1cccc(CN[C@]23CCC[C@@H]2C3)c1 594952706 RBTSHEBRUGYCKP-KGLIPLIRSA-N 212.296 2.590 30 20 BFED C=CCCSCCNCc1ccc(C)cn1 594960455 QOARZVAQHREPPP-UHFFFAOYSA-N 236.384 2.789 30 20 BFED C=CCSCCNC(=O)NCC[C@@H](C)CC 595494368 XVBGZQBPWOPVRK-NSHDSACASA-N 244.404 2.641 30 20 BFED CN(CCc1ccc(C#N)cc1)C(C)(C)C 595556776 FZGNPZIDPZNYGT-UHFFFAOYSA-N 216.328 2.831 30 20 BFED CC[C@H](NC(=O)N1CCC[C@](C)(C#N)C1)C1CC1 595791144 ZUGSOMVPQOADGJ-GXTWGEPZSA-N 249.358 2.510 30 20 BFED N#Cc1cccc(NC(=O)C2CC3(CC3)C2)c1 596628805 AZJDHRAGLDLXRQ-UHFFFAOYSA-N 226.279 2.687 30 20 BFED CC[C@H](C)N(CC)C(=O)N[C@@H]1CC[C@H](C#N)C1 596637602 VXSCTJVQUNTGDR-SDDRHHMPSA-N 237.347 2.509 30 20 BFED CC[C@@H](CC#N)NC(=O)C1CCC2(CC1)CC2 597507543 LLWDGBDUNVIKHR-LBPRGKRZSA-N 234.343 2.765 30 20 BFED C=CCCSCCNC(=O)C1(CC)CC1 597967774 DSEVGQCWPRXBIZ-UHFFFAOYSA-N 227.373 2.602 30 20 BFED CCC(CC)CC(=O)N(C1CC1)[C@@H](C)C#N 598129995 AMACIKHPMUIJQK-JTQLQIEISA-N 222.332 2.716 30 20 BFED CC(C)(CC#N)CNCc1cnc(C2CC2)o1 600166116 WDCCURZQAVEXBR-UHFFFAOYSA-N 233.315 2.581 30 20 BFED C[C@@H](CC#N)NC(=O)C/C=C/Cc1ccccc1 602084372 HQOCSNGZMUUYNL-GFUIURDCSA-N 242.322 2.594 30 20 BFED CC1=NN(c2ccc(C)cc2)C(=O)[C@@H]1CCC#N 603923400 GNAJQKUMKBMNRQ-CYBMUJFWSA-N 241.294 2.638 30 20 BFED N#Cc1cccc(S[C@H]2CCCOC2)c1 610722519 BDGIVWLHGOKPLL-LBPRGKRZSA-N 219.309 2.829 30 20 BFED CCC#C[C@@H](C)N1CCN(C(C)(C)CC)CC1 653810740 OSZCZXSXSNDYGK-CQSZACIVSA-N 236.403 2.595 30 20 BFED C=CCN1CC(C)(C)[C@@H]1c1ccncc1 664833674 NGNWKNYXHVXETA-LBPRGKRZSA-N 202.301 2.651 30 20 BFED C=CCCC(C)(C)NC(=O)Nc1ncc(C)o1 666227432 HLQJFPVAPKHWNK-UHFFFAOYSA-N 237.303 2.849 30 20 BFED C=C[C@@H](C)NC(=O)c1cc2occc2s1 674952200 VWDVFXUVKFZOJT-SSDOTTSWSA-N 221.281 2.799 30 20 BFED C=CCCOCC(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 680412151 NQUQGHZNJJEBCO-YNEHKIRRSA-N 239.359 2.520 30 20 BFED Cc1cc(C)nc(CN2CCC(CC#N)CC2)c1 723619404 HWYZEXSSXTVIQL-UHFFFAOYSA-N 243.354 2.824 30 20 BFED CCC[C@H](C#N)NC(=O)C=C1CCCCC1 726532299 FERJKSRZZSTDJY-GFCCVEGCSA-N 220.316 2.685 30 20 BFED C#CCOC(=O)CCOc1ccc(C(C)C)cc1 727039911 RFLFOSGJJIZIPX-UHFFFAOYSA-N 246.306 2.755 30 20 BFED CCCCCNC(=S)NN=C1CCC[C@@H]1C 729142974 HJBYSNWDJPPJFQ-JTQLQIEISA-N 241.404 2.817 30 20 BFED C=CCOCC(=O)Oc1ccc(Cl)c(C)c1 729649046 LZMPABNTTSJRPC-UHFFFAOYSA-N 240.686 2.756 30 20 BFED CC[C@@H](C)C(=O)OCc1ccc(OCC#N)cc1 733405767 JVFVOSVLWBOBHQ-LLVKDONJSA-N 247.294 2.678 30 20 BFED C=CC[C@H](NC(=O)c1ccco1)c1ccncc1 734233863 AWFVQUQETJIVMT-LBPRGKRZSA-N 242.278 2.722 30 20 BFED C=C(C)CNC(=S)NCCCC(C)(C)C 739445466 DSYMEYCNGFCRLX-UHFFFAOYSA-N 228.405 2.853 30 20 BFED COCC(=NNc1ccc(F)cc1)C(C)C 741452066 WDLIFTRLUHWHMF-UHFFFAOYSA-N 224.279 2.896 30 20 BFED C=CCNC(=S)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 741868817 FXYGDHWGLXOQQM-SDDRHHMPSA-N 238.400 2.605 30 20 BFED Cc1c(C(=O)O[C@@H](C)C#N)cnc2ccccc12 748930516 ZIZRUDSZLOPTDE-VIFPVBQESA-N 240.262 2.612 30 20 BFED CC(=NN[C@H](C)CO)c1ccc(C(C)C)cc1 749820722 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CC(CCn1cccn1)=NOC1CCCC1 776775345 HPVIAOAHWHDSAP-UHFFFAOYSA-N 221.304 2.608 30 20 BFED N#CCN(C[C@@H]1CCc2ccccc21)C1CC1 780293921 SVDFSPHQGFUVEE-ZDUSSCGKSA-N 226.323 2.704 30 20 BFED C#CCCCCCC(=O)N1C[C@H](C)C[C@H]1C 780541702 LHLLFIYNKHAXGT-CHWSQXEVSA-N 221.344 2.827 30 20 BFED Clc1ccnc(NN=C[C@@H]2CCSC2)c1 782267906 MANYJUUWGNLMIC-QMMMGPOBSA-N 241.747 2.886 30 20 BFED CC(C)[C@H](F)C(=O)N[C@@H](C)c1cccc(C#N)c1 784126911 USRLNPXSVYHFJY-GWCFXTLKSA-N 248.301 2.730 30 20 BFED C=C[C@@](C)(CC)C(=O)OCC(=O)C(C)(C)C 785762494 UNEJBGAZPMUPFA-ZDUSSCGKSA-N 226.316 2.747 30 20 BFED C=CCCCCNC(=O)CC1CC(OCC)C1 788966346 XRJVHVXLDKSXIY-UHFFFAOYSA-N 239.359 2.664 30 20 BFED Cc1cc(C=NNc2nccn2C)c(C)s1 790300477 YYVWEQUMHRTXLM-UHFFFAOYSA-N 234.328 2.544 30 20 BFED CC[C@@H]1CCCCC1=NNc1nccn1C 790300852 ARMUZUHHMNHNIY-SNVBAGLBSA-N 220.320 2.788 30 20 BFED CSCCON=C1c2ccccc2C[C@@H]1C 794572251 MXNNRLUIJHVZQI-JTQLQIEISA-N 235.352 2.963 30 20 BFED C=CCNN=Cc1ccc(OC(F)F)c(F)c1 794997940 DFZYQNKGARQXJV-UHFFFAOYSA-N 244.216 2.537 30 20 BFED Cc1cn(CC[C@@H](O)c2ccccc2)cc1C#N 795212921 QPIYQQZWUBJIRO-OAHLLOKOSA-N 240.306 2.792 30 20 BFED C#CCCOC(=O)[C@@H](F)CC1CCCCC1 796213627 HDVXTAIIXVCSCH-LBPRGKRZSA-N 226.291 2.861 30 20 BFED CC/C=C/CCOC(=O)c1cc(C#N)oc1C 797886154 HZYDKPMEQIGXLT-SNAWJCMRSA-N 233.267 2.973 30 20 BFED CCCCCCCCNC(=O)c1n[nH]cc1C 799422847 KQOYVXWPWCZUJZ-UHFFFAOYSA-N 237.347 2.808 30 20 BFED COCCON=C1CCC[C@@H](c2cccnc2)C1 799881927 VQMBEBFRVUCJOU-GFCCVEGCSA-N 248.326 2.758 30 20 BFED C#C[C@@H](C)N(C)c1ncc(Cl)cc1Cl 804661396 VTOHQTASODPQGC-SSDOTTSWSA-N 229.110 2.846 30 20 BFED C=CCCCCCCNC(=O)N(C)OCC 807572453 JBRYYEDMIMAUSH-UHFFFAOYSA-N 228.336 2.716 30 20 BFED CC(=NNCC1CCCC1)c1cncs1 808005875 LEMJFCFUQLMPNM-UHFFFAOYSA-N 223.345 2.647 30 20 BFED C#CCCCc1nc(C(CC)(CC)OC)no1 810339758 YYECJGFTLMJKSQ-UHFFFAOYSA-N 236.315 2.687 30 20 BFED N#CCSCCCOC(=O)CCCC1CC1 812602196 OGRIQNHZAGVRRC-UHFFFAOYSA-N 241.356 2.757 30 20 BFED CC1(C)CC(=NNc2ccccc2C(=O)O)C1 814769131 UDRQGEYKKRAUJC-UHFFFAOYSA-N 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30 20 BFED C=CCCCCNC(=O)CSC(F)(F)F 274472299 MPCOXDMHRAWCBI-UHFFFAOYSA-N 241.278 2.712 30 20 BFED Cc1cccnc1CN1CCCC(C)(C)[C@@H]1C#N 277635914 BTUDZAFARMTKHK-AWEZNQCLSA-N 243.354 2.904 30 20 BFED C/C=C/C=C/C(=O)N1CCCC(C)(C)[C@H]1C#N 277846811 JDKQKTQBDNPSRG-HQHXPOALSA-N 232.327 2.659 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CNc1cccc(F)n1 280791434 QPYDULJPCFNHLB-MFKMUULPSA-N 236.290 2.614 30 20 BFED C=C(C)CN(C)CCCN(C)Cc1ccco1 285545629 GFPFSDXTDFLSMK-UHFFFAOYSA-N 236.359 2.609 30 20 BFED C=C(CNC(=O)[C@H](CC)SC)c1ccccc1 286807554 TYELBCAEKAQBPE-ZDUSSCGKSA-N 249.379 2.958 30 20 BFED C=C(C)CN[C@H](c1cccs1)C(C)(C)CO 289482397 ZYSDSEQPCPDBTF-GFCCVEGCSA-N 239.384 2.973 30 20 BFED Cc1nc(N2CCS[C@@H](C)CC2)ccc1C#N 291883919 JBBLDWXLPRTSQF-JTQLQIEISA-N 247.367 2.594 30 20 BFED Cc1nc(S[C@H]2CCO[C@@H]2C)ccc1C#N 291904575 KJTVAMFXKLULMI-KOLCDFICSA-N 234.324 2.531 30 20 BFED Cc1nc(N2CCCC[C@@H](C)C2)ccc1C#N 291953689 NSXKIYPUGNAWAC-LLVKDONJSA-N 229.327 2.888 30 20 BFED C=CCC(C)(C)CNC(=O)N[C@@H](C)CC 292497914 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20 BFED C=CCC[C@H](NC[C@H](CO)C(C)C)C1CC1 309673020 KSEVMHJWGDAGPT-KGLIPLIRSA-N 225.376 2.585 30 20 BFED C=C(CC)COC(=O)c1csc(NCC)n1 309894655 FLKVNFAZPDHYEM-UHFFFAOYSA-N 240.328 2.698 30 20 BFED C=CCC[C@H](CC)N[C@@H]1CCN(C)[C@@H](C)C1 310002312 FHMSEMZZUIKXPX-MELADBBJSA-N 224.392 2.804 30 20 BFED N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC2CCC1CC2 311069345 LTUCTYYYTHUUFO-LFGDDXOXSA-N 246.354 2.621 30 20 BFED C[C@H]1CCc2c(C(=O)NCCC#N)csc2C1 334427500 XCFKWGBFCXHNCS-VIFPVBQESA-N 248.351 2.516 30 20 BFED CC[C@@H](C#N)NC(=O)c1ccc(C)c2c1CCC2 334809337 GOXBFQKTQDSPLW-NSHDSACASA-N 242.322 2.516 30 20 BFED N#CC1(CN2CC[C@H](c3ccccc3F)C2)CC1 335038348 JPDHEMVCELDDLW-LBPRGKRZSA-N 244.313 2.919 30 20 BFED C=CC(C)(C)C(=O)N[C@H]1COc2ccc(F)cc21 335162510 USLBNMVIHHBVAE-NSHDSACASA-N 249.285 2.588 30 20 BFED C=C(C)CNC(=O)c1cc2ccccc2nc1C 335389586 VQIVNOIJGMYRSK-UHFFFAOYSA-N 240.306 2.849 30 20 BFED CC1(C)CCC[C@@H]1C(=O)N[C@]1(C#N)CC1(C)C 335682083 BLYTXIXYUJBFHB-YGRLFVJLSA-N 234.343 2.621 30 20 BFED N#Cc1ccsc1C(=O)N1CC[C@@H]2CCC[C@H]21 335801539 BPBWLXGWBQLOFJ-GXSJLCMTSA-N 246.335 2.634 30 20 BFED Cc1cc(OC[C@@H]2CCCOC2)ccc1C#N 336149991 RLSJPSKFYCNCPJ-GFCCVEGCSA-N 231.295 2.672 30 20 BFED C[C@H]1CCCC[C@@H]1NCC1(C#N)CCC1 336261539 LAEIUBJPTUVVAO-RYUDHWBXSA-N 206.333 2.849 30 20 BFED C=CCCn1ccc(-c2nccs2)n1 339026963 HZVDTZBCECZDAM-UHFFFAOYSA-N 205.286 2.583 30 20 BFED CC(C)(C#N)CC(=O)NCC1(C2CC2)CCC1 339344706 NVSGJCFKIUMRNG-UHFFFAOYSA-N 234.343 2.623 30 20 BFED C=CCCCC(=O)NC[C@@H]1CCC[C@@H]1C 339501711 ZPWDDWCTKXFOTO-RYUDHWBXSA-N 209.333 2.895 30 20 BFED C=C(C)CS(=O)(=O)c1ccc(CC)cc1 340786552 PVIBJCLHMGUMRO-UHFFFAOYSA-N 224.325 2.599 30 20 BFED CO[C@@H]1CCCC[C@@H]1Nc1cc(C#N)cc(C)n1 342294889 NXGXKPIZWJVIMO-QWHCGFSZSA-N 245.326 2.631 30 20 BFED C[C@@H](O)[C@@H](C)SCc1ccc(CC#N)cc1 342547356 OFQXIORSXNXDFW-GHMZBOCLSA-N 235.352 2.755 30 20 BFED C=CCC(C)(C)C(=O)NC[C@H](CCC)CCO 343018610 WSBCBHFMXNMXPF-GFCCVEGCSA-N 241.375 2.504 30 20 BFED CC(C)(CCC#N)CNC(=O)c1cccs1 345980879 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212.296 2.669 30 20 BFED CC(=NOCC1CC1)c1cc(N)ccc1F 382162850 UBEHNGQCCMFIDG-UHFFFAOYSA-N 222.263 2.559 30 20 BFED CCC#C[C@H](C)N[C@@H](C)c1cccc(O)c1 390468109 IKCZFCYIDUSRBX-RYUDHWBXSA-N 217.312 2.845 30 20 BFED C#CCCCN[C@@H]1CCc2nc(Cl)ccc21 390818937 RYFBEOHHHLKMDR-LLVKDONJSA-N 234.730 2.725 30 20 BFED C#CCn1nc(-c2ccsc2)cc1C 409439899 KNMQAFBQZFGTOV-UHFFFAOYSA-N 202.282 2.553 30 20 BFED C[C@@H](NCCC#N)c1nc(C(F)(F)F)cs1 411702482 WOITYJOMAINNRL-ZCFIWIBFSA-N 249.261 2.726 30 20 BFED C=CCCSCc1cc(O)nc(C2CC2)n1 419423332 NDWXWUHNASESNL-UHFFFAOYSA-N 236.340 2.869 30 20 BFED C=CC[C@H](C)[C@@H](C)NCCC[C@H]1CCCN1 423491880 ZVOSLDKVVOXSGA-MJBXVCDLSA-N 224.392 2.709 30 20 BFED C=CC[C@H](C)NC(=O)c1ncccc1OCCC 429799872 GVTQBJYSCFKQKD-NSHDSACASA-N 248.326 2.565 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@H](CC)C[C@@H](C)CO 442665008 LGMYSNBXSFKSNY-YRGRVCCFSA-N 241.375 2.502 30 20 BFED CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccncc1 442782734 RVOQRPXMIFAIRD-BNOWGMLFSA-N 229.327 2.815 30 20 BFED C=C(C)CCNC(=O)c1cscc1C 448550611 FVIOSFFZZJTGAI-UHFFFAOYSA-N 209.314 2.753 30 20 BFED C=C(C)CN(CC)Cc1ccncc1F 449002407 KSNLGDCUAYOMEU-UHFFFAOYSA-N 208.280 2.619 30 20 BFED C=C[C@@H]1OCC[C@H]1NC1CC(c2ccccc2)C1 449522923 WBQHHMVRJIDJBK-FJBKBRRZSA-N 243.350 2.866 30 20 BFED CN(CCCCN[C@H]1CCC[C@@H](C#N)C1)C1CC1 453401597 MXAZFFCHCBQLFM-KGLIPLIRSA-N 249.402 2.533 30 20 BFED C=CCOCC(=O)N[C@H](CCC)C1CCCC1 458337862 LKBFBQCZYPPHDW-CYBMUJFWSA-N 239.359 2.664 30 20 BFED C=CCC(C)(C)CNC(=O)NC1(C(F)F)CC1 458814450 UZHOAXCYJVHHSX-UHFFFAOYSA-N 246.301 2.686 30 20 BFED C=CCC[C@H](O)CN[C@H](CCC)C1CCC1 459811894 VGYMEADPQBMRKY-UONOGXRCSA-N 225.376 2.872 30 20 BFED C#CCN(C(=O)[C@H]1CCC(C)=C(C)C1)C1CC1 491745122 NADKPFDDRPPYHB-ZDUSSCGKSA-N 231.339 2.747 30 20 BFED C#C[C@H](C)N(C)C(=O)C1C[C@@H](C)C[C@H](C)C1 491746285 YPSOMOONYJBTAT-SRVKXCTJSA-N 221.344 2.539 30 20 BFED CC#CCCNC(=O)Nc1ccc(C)c(C)c1 497682571 YOOFMHNPGBTQSO-UHFFFAOYSA-N 230.311 2.838 30 20 BFED C=C(C)CCn1nc(-c2ccccc2)ccc1=O 505532649 MKRAEZZWDAYHKM-UHFFFAOYSA-N 240.306 2.877 30 20 BFED CCc1cnc(COc2ccc(C#N)c(F)c2)o1 525182773 CYOOJMAHOJPBHQ-UHFFFAOYSA-N 246.241 2.827 30 20 BFED CCC[C@@H](CNc1cccc(C#N)n1)OCC 528085803 VOUUVMGEDLUWNV-LBPRGKRZSA-N 233.315 2.570 30 20 BFED C=CC[C@H](C)NC(=O)N1CCC(CCC#N)CC1 566148561 INTHGVNTLZKVKK-LBPRGKRZSA-N 249.358 2.676 30 20 BFED C=C(C)CCN(CC)C1CCC(C(=O)O)CC1 571061791 HJDOQLRUPVESPG-UHFFFAOYSA-N 239.359 2.918 30 20 BFED N#CCc1ccccc1NC(=O)[C@H]1C[C@H]1C1CC1 571239554 DXMLJUUCHBJPHO-STQMWFEESA-N 240.306 2.737 30 20 BFED N#CC1(Cn2ccc(-c3nccs3)n2)CCC1 581419416 TVDYXCNNNBQZRM-UHFFFAOYSA-N 244.323 2.700 30 20 BFED C[C@@H](C(=O)CC#N)c1ccc(Cl)cc1 585163817 BGPKKWWJWGYGJS-MRVPVSSYSA-N 207.660 2.926 30 20 BFED CC#CCON=Cc1ccccc1OC(C)C 588471368 QBGBZJSXBAPPRC-UHFFFAOYSA-N 231.295 2.848 30 20 BFED N#C[C@]1(F)CCN([C@H]2C=CCCCCC2)C1 590176053 BBXDNMUBGJRFLT-QWHCGFSZSA-N 222.307 2.813 30 20 BFED C[C@@H]1SCC[C@@H]1N[C@@H]1CCC[C@H](C#N)C1 592396576 BLCUQWMATMOLSV-YFKTTZPYSA-N 224.373 2.552 30 20 BFED CC[C@H](C#N)C(=O)NCc1cccc(C(C)C)c1 593616666 CZCUUBHYERJKOK-CYBMUJFWSA-N 244.338 2.976 30 20 BFED C[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 595291245 IHVFRFHBIGRQTJ-CYBMUJFWSA-N 228.339 2.833 30 20 BFED C=CCN(CC=C)CCc1ccc(C#N)cc1 595298537 RCXJFQZBSZMOIP-UHFFFAOYSA-N 226.323 2.775 30 20 BFED CCN(CCOc1cc(C)ccc1C)[C@H](C)C#N 595812610 MWILNVLVJRXFAY-CQSZACIVSA-N 246.354 2.916 30 20 BFED CCN(Cc1ccc2c(c1)CCC2)[C@H](C)C#N 595814911 ZXVHQWHLOHXWNU-GFCCVEGCSA-N 228.339 2.909 30 20 BFED N#Cc1cc([N+](=O)[O-])ccc1N[C@@]12CCC[C@@H]1C2 596316136 GLDCUDWSXHUONJ-ZWNOBZJWSA-N 243.266 2.821 30 20 BFED C[C@H](C#N)CN(C)C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 596896133 VVMZVUQKNCWGDV-MQYQWHSLSA-N 248.370 2.821 30 20 BFED C=CCCC(C)(C)NC(=O)C[C@H](C)SC 598522391 PZSFXLGCMHNREX-JTQLQIEISA-N 229.389 2.989 30 20 BFED N#Cc1ccccc1NC(=O)C1CC2(CC2)C1 598796837 AAIOLBHBRXGNRY-UHFFFAOYSA-N 226.279 2.687 30 20 BFED CCN(CCC#N)C(=O)C[C@H](C)c1ccco1 599138702 IJSBSHNFZYBZPQ-NSHDSACASA-N 234.299 2.535 30 20 BFED CC(C)c1cnc(SCC2(C#N)CC2)[nH]1 600585902 QWWJWIQLFRCKRL-UHFFFAOYSA-N 221.329 2.929 30 20 BFED CC[C@](C)(C#N)NC(=O)c1cc2occc2s1 609874950 WKAIJMRJBBFDAD-GFCCVEGCSA-N 248.307 2.916 30 20 BFED C[C@H](c1ccc(C#N)cc1)N1CC=CCC1 611517628 YSGRZUPRQVABRZ-GFCCVEGCSA-N 212.296 2.881 30 20 BFED Cc1nc(CCN2CCC[C@@](C)(C#N)C2)cs1 612163376 QDEMPKABBQDKNR-ZDUSSCGKSA-N 249.383 2.620 30 20 BFED C=CCCNC(=O)c1ccc(C2CC2)cc1 617611367 WLAVELMZMFRZHB-UHFFFAOYSA-N 215.296 2.870 30 20 BFED C=CC[C@@H]1CCCC[C@H]1N[C@H]1C[C@H](OC)C1 624300591 LTRFWVSVHREOGU-AAVRWANBSA-N 223.360 2.888 30 20 BFED C=CCCC[C@H](C)NC(=O)c1cnn(CC)c1C 630180406 ABPBAODVZQRUCI-NSHDSACASA-N 249.358 2.686 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1conc1C 640488812 XVOPYAMMTVUTJY-LLVKDONJSA-N 208.261 2.524 30 20 BFED C=CCCn1cc(COc2ccc(C)cc2)nn1 655660043 JEDLDSGCXWAEHM-UHFFFAOYSA-N 243.310 2.742 30 20 BFED C=CCCCCCN(C)Cc1cn(C)cn1 659949021 ZGBSWZWWFRXCLK-UHFFFAOYSA-N 221.348 2.598 30 20 BFED C=CC[C@@H]1CCCN(CCCOCC)C1 661379651 FTIKCOPDTIWGTP-CYBMUJFWSA-N 211.349 2.701 30 20 BFED C=C(C)CN[C@H](CC)c1nnc2n1CCCCC2 661937608 NSIOGNYHVAJXQF-GFCCVEGCSA-N 248.374 2.621 30 20 BFED C=CCCNC(=O)NC(C)(C)c1ccc(C)nc1 665944522 QUJDYNDBDXHBLX-UHFFFAOYSA-N 247.342 2.500 30 20 BFED C=CCCNC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 665946734 UVXNNQQUAKGJDB-UPJWGTAASA-N 236.359 2.925 30 20 BFED C=CCN(CCc1ccco1)CC(F)F 679329498 SJEDOPOVJIGBBN-UHFFFAOYSA-N 215.243 2.575 30 20 BFED N#Cc1ccc(N[C@H]2C=CCC2)cc1[N+](=O)[O-] 698276582 GYDHATNPBMGJOJ-JTQLQIEISA-N 229.239 2.597 30 20 BFED CCCCCCCNC(=O)c1occc1N 705964379 IHLIZHKKQXCZOU-UHFFFAOYSA-N 224.304 2.562 30 20 BFED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC12CCC2 721259057 BJFYZBWPGIMPFG-GFCCVEGCSA-N 243.266 2.821 30 20 BFED C=CCCC(=O)OCc1nc2ccccc2n1C 726651230 YCSHSYHDPOBXCI-UHFFFAOYSA-N 244.294 2.583 30 20 BFED CCn1cc(C=NNc2ccc(C)cc2)cn1 732527418 UWRGKWIHIMROJA-UHFFFAOYSA-N 228.299 2.657 30 20 BFED C[C@@H]1CCCC1=NNc1nccnc1Cl 733080078 CZFSMABPTQQOST-SSDOTTSWSA-N 224.695 2.718 30 20 BFED C#CCN1CCC[C@@H]1Cc1ccccc1C 734150045 OQSSQYYWFBDSLN-OAHLLOKOSA-N 213.324 2.635 30 20 BFED CCC(CC)NN=Cc1ccc(OC)c(F)c1 734366562 XCGPPMVDMYBVOR-UHFFFAOYSA-N 238.306 2.946 30 20 BFED C=CC1CCN(CCCCCCCO)CC1 743849565 UZZIDXGPLZNCHG-UHFFFAOYSA-N 225.376 2.827 30 20 BFED C=C(C)CCOC(=O)CCc1csc(C)n1 744302901 GNRXJHHXDRXVIL-UHFFFAOYSA-N 239.340 2.894 30 20 BFED C=CCN(C(=O)[C@@H](C)c1c(C)n[nH]c1C)C(C)C 751554956 YSCVZOVUFANPES-JTQLQIEISA-N 249.358 2.553 30 20 BFED FC(F)(F)c1ccc(NN=C2CCCC2)nn1 754709096 MZWBJGBEBSRFLK-UHFFFAOYSA-N 244.220 2.837 30 20 BFED C=CCCOCC(=O)OCC1CCC(C)CC1 754793281 OKBDFPGELJNZFP-UHFFFAOYSA-N 240.343 2.949 30 20 BFED C=CCCCOC(=O)Cc1ccc2c(c1)COC2 755124277 IHWUETMJSHYWOB-UHFFFAOYSA-N 246.306 2.769 30 20 BFED CC(C)c1nc(C#N)c(NN=C[C@@H]2C[C@H]2C)o1 758375348 RIEFDKNDMYUJRU-BDAKNGLRSA-N 232.287 2.723 30 20 BFED CC[C@](C)(C#N)NC(=O)c1cc(Cl)cs1 758841553 BFDAIPIATHTYFV-SNVBAGLBSA-N 242.731 2.824 30 20 BFED CC(CCC(C)C)=NNc1ncc(F)cn1 760247639 QPXCPQVFBXIYNO-UHFFFAOYSA-N 224.283 2.840 30 20 BFED CC#CCCOC(=O)/C=C\c1ccc(OC)cc1 760284405 PRDGSHSYOQXVHI-FLIBITNWSA-N 244.290 2.665 30 20 BFED COc1cc(F)ccc1NN=C(C)[C@@H](C)OC 761885781 SOGNUWHWUFYZJZ-SECBINFHSA-N 240.278 2.657 30 20 BFED COc1cc(F)ccc1NN=Cc1ccc[nH]1 761890609 OZJWHOANLIPXFJ-UHFFFAOYSA-N 233.246 2.608 30 20 BFED COc1nccnc1NN=C1C[C@@H](C)C[C@H](C)C1 763421700 HJSHBCIFAVNJHJ-UWVGGRQHSA-N 248.330 2.709 30 20 BFED CC#CCCN(CC)c1ccc(OC)c(OC)c1 764974286 YAFOMKUGDUIRAK-UHFFFAOYSA-N 247.338 2.944 30 20 BFED CCC1(O)CCC(/N=C\c2ccccc2O)CC1 771519496 GKMXOLXMEIOGSH-WJDWOHSUSA-N 247.338 2.895 30 20 BFED C=C(CC)COC(=O)C1CCSCC1 773518865 OSMLEHZGCRBVFT-UHFFFAOYSA-N 214.330 2.639 30 20 BFED Fc1ccc2c(c1)C(=NOC1CCCC1)CO2 774597048 NPLKZGPOFROCRL-UHFFFAOYSA-N 235.258 2.881 30 20 BFED CCCC(=O)OCc1cccc(C#N)c1F 774885707 HBIBPHNSOGWURR-UHFFFAOYSA-N 221.231 2.541 30 20 BFED C=CCOCC(=O)OCCCSC(C)(C)C 775297060 OENHEHDOHMEBMS-UHFFFAOYSA-N 246.372 2.654 30 20 BFED CCC#C[C@@H](C)N[C@H](C)c1cc(OC)ccc1O 775370925 XIHCBDJWXDRMMX-VXGBXAGGSA-N 247.338 2.853 30 20 BFED C#C[C@H](N[C@@H]1CC[C@H](C)C[C@@H]1C)[C@@H]1CCCO1 775575111 UZHMAFBIUPZEQH-LXFSFDBISA-N 235.371 2.582 30 20 BFED C[C@H]1CC[C@H](OC(=O)c2cccc(C#N)c2)C1 779265985 SHWRITBYDBLZPM-GWCFXTLKSA-N 229.279 2.904 30 20 BFED Cc1nn(C)c(C)c1C=NN[C@@H]1CCCC1(C)C 782289248 VDSMIUVYCNFTCS-CYBMUJFWSA-N 248.374 2.539 30 20 BFED CC[C@H]1CCC[C@@H](C=NNC2CCOCC2)C1 783855914 VBZMOUOEEBYGMP-QWHCGFSZSA-N 238.375 2.957 30 20 BFED C#CCCCOC(=O)C12CCC(CC1)C2 784840874 GBIQQXMEKUPPNZ-UHFFFAOYSA-N 206.285 2.523 30 20 BFED CC(C)(C#N)CC(=O)OCCc1cccs1 785095602 DVXOAIATROIARL-UHFFFAOYSA-N 237.324 2.774 30 20 BFED CC(C)(C)CC(=NNC1CCOCC1)C1CC1 787162982 NKJGFVJGWSJYPA-UHFFFAOYSA-N 238.375 2.957 30 20 BFED CC(C)n1cc(/C=C\C(=O)c2cncs2)cn1 787170024 RWDOCWAXRAGCRC-ARJAWSKDSA-N 247.323 2.817 30 20 BFED Cc1cnn(C)c1C=NNc1ccc(Cl)cc1 794857460 ZFVFTTHLAPNUCC-UHFFFAOYSA-N 248.717 2.828 30 20 BFED C#CCCN(C#N)c1ccccc1Cl 797422768 BKXATOHZMAVRKL-UHFFFAOYSA-N 204.660 2.651 30 20 BFED CC(C)CC(C)(C)C(=O)OCCO[C@H](C)C#N 801846497 KEMOAENUHZDTQD-LLVKDONJSA-N 241.331 2.531 30 20 BFED CC[C@](C)(C#N)C(=O)O[C@H](C)c1ccncc1 803785790 TXHBHWBUBILORP-ZWNOBZJWSA-N 232.283 2.626 30 20 BFED C[C@H]1CC(=NC(=O)CCCCC(C)(C)C)NO1 804520724 IWEDMHSEEXFUEU-JTQLQIEISA-N 240.347 2.831 30 20 BFED C#C[C@H](NC(=O)c1cc2occc2[nH]1)C(C)(C)C 807878993 KDKZNYURUQYBAK-LBPRGKRZSA-N 244.294 2.539 30 20 BFED c1cnc2c(c1)CCCC2=NNCC1CCCC1 808006354 UOAOPBINDBIKON-UHFFFAOYSA-N 243.354 2.902 30 20 BFED Cc1ccccc1C=NNC[C@H]1CCSC1 811661779 SIMQHEGODQEYBG-GFCCVEGCSA-N 234.368 2.672 30 20 BFED CC[C@H](C=Nn1ccccc1=O)c1ccccc1 814894335 IRKGFHXPBBGOCO-CYBMUJFWSA-N 240.306 2.876 30 20 BFED C=C(Cl)CN1C[C@@H](CC)O[C@H](CC)C1 817282299 YRPIISJLJVTAPM-GHMZBOCLSA-N 217.740 2.628 30 20 BFED N#CCCNCCCCCCCN1CCCC1 818975058 RCMHXZOZWDBZHB-UHFFFAOYSA-N 237.391 2.536 30 20 BFED C#Cc1cccc(NC[C@@H](O)CCC(C)C)c1 819404581 LYWYMRUOXMQXQV-HNNXBMFYSA-N 231.339 2.877 30 20 BFED CCCCCCC(=O)N[C@@H]1CC[C@H](C#N)C1 819631522 MUPHPZPUDBUYPF-NWDGAFQWSA-N 222.332 2.765 30 20 BFED C=C(C)C(C)(C)C(=O)O[C@@H]1CCOC[C@H]1C 821316907 HPVCUMMMILYEKG-GHMZBOCLSA-N 226.316 2.557 30 20 BFED C=C(C)CN(CC)C(=O)C#Cc1cccs1 824903457 HETOUPTYKDMPMI-UHFFFAOYSA-N 233.336 2.524 30 20 BFED CC1(C)CC[C@@H](NC(=O)C#Cc2cccs2)C1 828253680 VUFHLOKGERRLKW-LLVKDONJSA-N 247.363 2.795 30 20 BFED C#CC1CCN(Cc2ccccc2OCC)CC1 830311204 GYISWELLBAMRGZ-UHFFFAOYSA-N 243.350 2.931 30 20 BFED C=CCCC[C@H](C)OC(=O)[C@@H]1CCC(=O)C1 830896786 LLUYPAIPWSGPEF-WDEREUQCSA-N 224.300 2.644 30 20 BFED CC(CN1CCCCCC1)=NOC(C)C 835003165 RMYQOMFYVNRQBB-UHFFFAOYSA-N 212.337 2.663 30 20 BFED CC(=NNCc1ccc(C)cc1)c1cnoc1C 835008729 NOHVXIMUTRZKRH-UHFFFAOYSA-N 243.310 2.805 30 20 BFED C=CCON=C(C)c1coc(C(C)C)n1 835013047 FREHRCFFKNSGBR-UHFFFAOYSA-N 208.261 2.725 30 20 BFED C=CCCOC(=O)c1ncccc1SCC 835090297 VYUKIWPKDKFDOW-UHFFFAOYSA-N 237.324 2.927 30 20 BFED C=CCCCCCOC(=O)[C@H]1CC1(F)F 837977802 AIRRVNRHHCZLNE-SECBINFHSA-N 218.243 2.931 30 20 BFED C[C@H](CCc1ccccc1)OC(=O)C#CC1CC1 838367817 UHXLYBRAPQGNPQ-CYBMUJFWSA-N 242.318 2.964 30 20 BFED COc1ccc(O)c([C@@H](C)N[C@@H](C)CCC#N)c1 839539753 NXPRNLULECDXGH-WDEREUQCSA-N 248.326 2.744 30 20 BFED CCCC(Cc1ccccc1)=NN(C)C[C@@H](C)O 841655527 XQFMHMAWOZLBGN-CYBMUJFWSA-N 248.370 2.698 30 20 BFED CC[C@@](C)(C#N)C(=O)OC[C@H](CC(C)C)OC 842100344 NBCUMNYLPQKEMX-AAEUAGOBSA-N 241.331 2.531 30 20 BFED CC#CCCCCOC(=O)[C@H](CC(C)C)OC 842335769 FUZAHCFRFDYHAK-ZDUSSCGKSA-N 240.343 2.784 30 20 BFED CCC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842945813 SIPWNYDINPTESC-MRVPVSSYSA-N 220.297 2.607 30 20 BFED C#CCCCC(=O)N(C)CCC(C)(C)C 843683544 KKRTYXXVILNSSI-UHFFFAOYSA-N 209.333 2.685 30 20 BFED C=C[C@H](C)ONC(=O)Nc1cccc(C)c1 844479265 KDLRMIYXIXURBT-JTQLQIEISA-N 220.272 2.623 30 20 BFED C[C@H](OC(=O)[C@@H]1C[C@H]1C1CCC1)C(C)(C)C#N 845497327 WNRZHEOEXCMFIL-ZMLRMANQSA-N 235.327 2.904 30 20 BFED CC[C@@H](CC#N)NC/C(Cl)=C\Cl 846989344 ZJCNEXDSDUTDBP-IVGLGHLBSA-N 207.104 2.587 30 20 BFED CCOc1ccc(O)c(/C=N\[C@H]2C=CCC2)c1 849169588 DWQWQDKDVLPTRJ-GQVHDAKQSA-N 231.295 2.928 30 20 BFED C=CCC[C@@H](C)OC(=O)c1c(Cl)cnn1C 850318895 ZKBBPBXKTGPWPA-MRVPVSSYSA-N 242.706 2.585 30 20 BFED CCCNN=Cc1cc2c(C)cccc2[nH]1 853288780 GMULKKWWAZBDFI-UHFFFAOYSA-N 215.300 2.810 30 20 BFED CO[C@H](C=NOCCSC)C1CCCC1 853341655 UKFJTSZTWNEYTI-LLVKDONJSA-N 231.361 2.557 30 20 BFED COc1cccc(C=NN2CCCC[C@H]2C)c1O 853380833 ZEIGJDVMJLVUSK-LLVKDONJSA-N 248.326 2.609 30 20 BFED C[C@H]1CCCCN1N=Cc1ccc(C#N)c(F)c1 853381718 JTVMXBGESNHMAD-NSHDSACASA-N 245.301 2.906 30 20 BFED C=CCC1(C(=O)N[C@H]2C=CCC2)CCC1 855431905 XPSVCWZGZSGOIX-NSHDSACASA-N 205.301 2.568 30 20 BFED C/C(=C/C(=O)N(C1CC1)[C@H](C)C#N)C(C)(C)C 855583365 XNTNWSCBCZXOLN-HIJJYWJESA-N 234.343 2.882 30 20 BFED C/C(=C\C(=O)N(C)[C@H](C)CC#N)c1cccs1 857149325 XUVXRWBRERJZSJ-PBQZMEPESA-N 248.351 2.912 30 20 BFED C#CCCOC(=O)N1CCC2(CCCCC2)C1 859026510 OOTYXDZSLKLGJM-UHFFFAOYSA-N 235.327 2.803 30 20 BFED CC(C)(O)CNN=C[C@@H]1CCCC(C)(C)C1 863137769 LRZFJFYIXFPOFY-LLVKDONJSA-N 226.364 2.549 30 20 BFED CCCC[C@@H]1CCCC1=NNCC(C)(C)O 863139228 AREQHEWPBUDWSF-LLVKDONJSA-N 226.364 2.693 30 20 BFED C=CC1CCN(C(=O)c2ccc(C=O)s2)CC1 865699327 PQTOGUSRJKCTQU-UHFFFAOYSA-N 249.335 2.599 30 20 BFED FC(F)(F)c1sccc1C=NN1CCC1 872399220 YLSXEYYIXFVRJD-UHFFFAOYSA-N 234.246 2.807 30 20 BFED C#CCCCCCCNC[C@H](OC)C1CC1 877553020 WGJSIBTVOFXAJM-AWEZNQCLSA-N 223.360 2.585 30 20 BFED N#Cc1ccccc1CN1C[C@H]2CC=CC[C@H]2C1 877719167 MFAMURCVYGXGKU-IYBDPMFKSA-N 238.334 2.956 30 20 BFED N#C[C@@]1(C(=O)NC[C@@H]2C=CCC2)CC12CCCC2 881497538 BAVDJQNHMJVRLR-IUODEOHRSA-N 244.338 2.543 30 20 BFED C=C/C=C/CCNC(=O)CC(C)(C)C=C 881570962 NVUJUYAYHDXUGM-BQYQJAHWSA-N 207.317 2.837 30 20 BFED C=C1CCC(C(=O)N2C[C@@H](C)[C@H](C)C2)CC1 889294085 SRVDUCMGKRJDJE-VXGBXAGGSA-N 221.344 2.847 30 20 BFED C=C(C)CCNCc1cc(C)cc(OC)c1O 894896512 XXTMUAUQTMXNQL-UHFFFAOYSA-N 235.327 2.765 30 20 BFED CSc1ccc(CNCC2(C#N)CCC2)o1 895024750 DUQVGLPNZUHVCG-UHFFFAOYSA-N 236.340 2.785 30 20 BFED CCc1onc(C)c1C=NOC1CCCC1 901211293 ZCTBMSJABNGPOJ-UHFFFAOYSA-N 222.288 2.839 30 20 BFED C=CC(C)(C)CCCN[C@H](C)[C@H]1C[C@@H]1C(=O)O 902279812 AOQVSCISZCYAFW-UTUOFQBUSA-N 239.359 2.678 30 20 BFED CC[C@H](NC[C@H]1CCOC1)c1cccc(C#N)c1 902764431 FDOARPDGDDGMSN-HIFRSBDPSA-N 244.338 2.635 30 20 BFED N#C[C@H]1CCC[C@@H](OC(=O)[C@@]23CCC[C@@H]2C3)C1 905929608 QXSMWTIFKUZXIU-FMCLSXCISA-N 233.311 2.802 30 20 BFED CC(CCN(C)C)=NOCc1ccccc1 915960237 WLJNSWPGPFQDOG-UHFFFAOYSA-N 220.316 2.531 30 20 BFED C[C@H](NCCCCC#N)c1cccc2c1OCO2 924942592 OQHMGEYWGAKPSN-NSHDSACASA-N 246.310 2.760 30 20 BFED CC1(CNC(=O)Nc2sccc2C#N)CC1 931841683 FRLSZROZBDAYGJ-UHFFFAOYSA-N 235.312 2.541 30 20 BFED C=C[C@@H](CC)CC(=O)NC1(C2CC2)CC1 934739386 FGXHJAUMHGOKIK-JTQLQIEISA-N 207.317 2.648 30 20 BFED CC(=NNCC(C)C)c1ccc(OCC#N)cc1 1116460499 SEOKGAKJSSCNIE-UHFFFAOYSA-N 245.326 2.559 30 20 BFED CC[C@H](C)NN=Cc1nc(-c2ccccc2)c[nH]1 1116760393 JUISLDZIWVXVCN-NSHDSACASA-N 242.326 2.799 30 20 BFED CC(=O)c1c(F)cccc1OCC1(C#N)CC1 1119673020 BLSWPZOYJXBCMV-UHFFFAOYSA-N 233.242 2.711 30 20 BFED Cn1cnc(CSc2ccc(C#N)cc2)c1 1165546304 NSYVLIZYDWCWJX-UHFFFAOYSA-N 229.308 2.584 30 20 BFED N#CCc1cccc(-c2nnc(CC3CC3)o2)c1 1324161934 WUXRVNCHNFACMX-UHFFFAOYSA-N 239.278 2.755 30 20 BFED C=CC(C)(C)CNC(=O)COc1ccccc1C 1324819196 FEPXFNIBDBSTLA-UHFFFAOYSA-N 247.338 2.702 30 20 BFED C=C(C)[C@@H](Cc1nnc(C(C)(C)C)o1)OCC 1326987830 VMKSQVNASZALJI-SNVBAGLBSA-N 238.331 2.891 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)C1CCCCC1 1337579996 DVNQAFYMNZJICT-LBPRGKRZSA-N 222.332 2.717 30 20 BFED C=C(C)CCC(=O)NCc1c(CC)noc1C 1339010599 HNQWBMZZMQQYBB-UHFFFAOYSA-N 236.315 2.518 30 20 BFED Cc1cc(C(=O)OCCCCC#N)cc(C)n1 1357527573 SPVKVBFQCBQCDT-UHFFFAOYSA-N 232.283 2.549 30 20 BFED N#Cc1nnc2ccccc2c1NC/C=C/Cl 1458674257 GVZGNVYUSZWVRO-ZZXKWVIFSA-N 244.685 2.666 30 20 BFED C=C(CC)C(=O)N1CCC(C(F)(F)F)CC1 1519676963 HWUHXLDRBPKOFW-UHFFFAOYSA-N 235.249 2.754 30 20 BFED Cc1cc(N2C[C@H]3CCCC[C@H]32)ncc1C#N 1559229618 KQSNMLOHTSQWOL-DGCLKSJQSA-N 227.311 2.641 30 20 BFED CC(C)(C)CN(CCC#N)CCCCC(=O)O 1603338344 FRPIYKOJJUUIPA-UHFFFAOYSA-N 240.347 2.503 30 20 BFED N#CCCCSCc1ccc(C(=O)O)s1 1608182578 HANZXIITVZYQHL-UHFFFAOYSA-N 241.337 2.983 30 20 BFED C=C1C[C@@H](C(=O)O)N(CCC2CCCCC2)C1 1776146617 RFQGHURHDSUPRZ-ZDUSSCGKSA-N 237.343 2.672 30 20 BFED C[C@@H]1CCCN(Cc2ccc(C#N)cc2F)C1 19470177 JGAQGESEIYOVKI-LLVKDONJSA-N 232.302 2.929 30 20 BFED CC[C@H](CC#N)N[C@H](C)c1ccc(C#N)cc1 37749468 LIDUSADURHWZRN-BXUZGUMPSA-N 227.311 2.901 30 20 BFED CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C#N)c1ccccc1 40350338 QKDCPBNQUTWZEK-SGMGOOAPSA-N 244.338 2.845 30 20 BFED CCCCOCCOc1ccc(C#N)cc1OC 42340845 UCAUUGXOMDKVAM-UHFFFAOYSA-N 249.310 2.762 30 20 BFED CC[C@H](C#N)NC(=O)c1csc2ccccc12 42891069 WVIAMUGVURMEPF-SECBINFHSA-N 244.319 2.933 30 20 BFED CC[C@H](C#N)C(=O)N(CC)c1cccc(C)c1 44823958 MDQWFJYDNSBZNW-GFCCVEGCSA-N 230.311 2.898 30 20 BFED C=C(C)CN1CCC[C@H]1c1cc(C)no1 52008682 PXZCFZKDQAUFMQ-NSHDSACASA-N 206.289 2.696 30 20 BFED C[C@@H]1CCC[C@@H](Nc2nccnc2C#N)[C@@H]1C 54377090 YGAGSEGJMNIULS-GMTAPVOTSA-N 230.315 2.585 30 20 BFED C#CCOC(=O)CSc1ccccc1Cl 58824620 RRLSPFLPJRMBBR-UHFFFAOYSA-N 240.711 2.609 30 20 BFED N#CC1(C(=O)NCCC(F)(F)F)CCCCC1 63101047 MHUXBBUMCOJNEC-UHFFFAOYSA-N 248.248 2.529 30 20 BFED C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H](C)S1 70383222 YYTLGBYPSXSUNT-VXGBXAGGSA-N 246.379 2.884 30 20 BFED CCCc1nccn1Cc1ccccc1C#N 70424398 QPYHHGITUDDPKM-UHFFFAOYSA-N 225.295 2.756 30 20 BFED CC[C@@H](O)CN(CC)[C@H](C)c1ccc(C#N)cc1 75645709 QQASGLATIYYMKI-IUODEOHRSA-N 246.354 2.712 30 20 BFED CC[C@]1(C)CCCN(C[C@H](C#N)CCC#N)C1 75998623 HAFWQJSKGBQQFH-UONOGXRCSA-N 233.359 2.942 30 20 BFED Cc1cccc(CCNc2cccc(C#N)n2)c1 80118897 VYCUERSCFOOURK-UHFFFAOYSA-N 237.306 2.916 30 20 BFED CC[C@@H]1CCC[C@]2(CC1)O[C@]2(C)C(=O)OC 85657874 SSRQMSYERMNYPE-RAIGVLPGSA-N 226.316 2.677 30 20 BFED Cc1nsc(N[C@H]2CCC[C@@H]2C)c1C#N 86254731 XUOOSFKQAFLGOG-XVKPBYJWSA-N 221.329 2.924 30 20 BFED Cc1ccc(C(=O)N(C)[C@H](C)CC#N)c(F)c1 94216676 UJYRYLZIHXKSFX-SNVBAGLBSA-N 234.274 2.508 30 20 BFED CCCCCC/N=C(/N)N1CCC[C@H](C)C1 104152780 MBHMORMKYZKJLU-LBPRGKRZSA-N 225.380 2.613 30 20 BFED CSC[C@@H](C)C(=O)Nc1sccc1C#N 108956730 SQCKBWDECZGFMT-SSDOTTSWSA-N 240.353 2.557 30 20 BFED CC(C)C[C@@H](C)CC(=O)Nc1ccc(C#N)cn1 110287653 LYTNFTCPYIFFQO-LLVKDONJSA-N 245.326 2.964 30 20 BFED CC[C@H](Sc1ccccc1)C(=O)N[C@H](C)C#N 110666881 SXELCPPUXBDINH-PWSUYJOCSA-N 248.351 2.586 30 20 BFED N#Cc1cc(NC(=O)CCC2CC2)ccc1F 115060042 WGWHBVCLSAXKSU-UHFFFAOYSA-N 232.258 2.826 30 20 BFED C=CC[C@@H](C)NCc1cc(OC)cc(OC)c1 116926814 JLOYABVFYVRMPQ-LLVKDONJSA-N 235.327 2.758 30 20 BFED N#CC1CCN(C[C@H]2C[C@H]3CC[C@H]2C3)CC1 118741321 WHCPWOWJBLAQEE-MELADBBJSA-N 218.344 2.658 30 20 BFED CC(C)[C@](C)(C#N)NC(=O)C1CCCCC1 120660540 UTJHCHOEVDIUGM-ZDUSSCGKSA-N 222.332 2.621 30 20 BFED CCN(CCc1ccccc1F)C[C@@H](C)C#N 121339914 FRDJHJBOWQIHQE-LBPRGKRZSA-N 234.318 2.850 30 20 BFED C=CCN(C)Cc1cccc(CN(C)CC=C)c1 121393333 GGKPREDZYGLZDD-UHFFFAOYSA-N 244.382 2.922 30 20 BFED CC[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 122149530 ILTOKZUYRMAHAW-LLVKDONJSA-N 232.302 2.929 30 20 BFED C=CCCO[C@@H](C)C(=O)Oc1ccc(C)cc1 125009352 BWFNASVBHLXDIB-LBPRGKRZSA-N 234.295 2.882 30 20 BFED CC1CCC(CNC(=O)C2(C#N)CC(C)C2)CC1 125788484 KQOIRWAYINIPJT-UHFFFAOYSA-N 248.370 2.869 30 20 BFED CC#CCNC(=O)/C(C)=C/c1ccccc1Cl 126603134 PTPALDQCPYEFKE-ZHACJKMWSA-N 247.725 2.883 30 20 BFED Cc1nn(CC[C@@H]2CCC[C@H](C)C2)c(N)c1C#N 132315914 MUROKYKUULLGJD-JQWIXIFHSA-N 246.358 2.862 30 20 BFED C=C(C)CN(C)c1c(F)cc(C#N)cc1F 135523622 APQHWVMCAYBDPK-UHFFFAOYSA-N 222.238 2.849 30 20 BFED C=C(C)CN(CC)C(=O)C[C@H](C)C1CC1 143924366 QPVWOYHWXWXKAC-NSHDSACASA-N 209.333 2.847 30 20 BFED C=CCCS[C@H](C)C(=O)NC1CCCC1 151992383 PJSSSGXHKBPBOP-SNVBAGLBSA-N 227.373 2.743 30 20 BFED Cc1cccc(C)c1C/N=C(\N)NCCC(C)C 153328203 ZEPLRIAKTKTTHQ-UHFFFAOYSA-N 247.386 2.754 30 20 BFED CCCC[C@H](CC)Cn1cnc(C#N)c1C#N 154642652 NZABCACTPXMRTJ-NSHDSACASA-N 230.315 2.843 30 20 BFED C=CCN(C)C(=O)N[C@@H](C)C[C@@H](C)CC 155135171 JYISWUXORBCTSX-QWRGUYRKSA-N 212.337 2.639 30 20 BFED C=C(C)CNC(=O)Nc1cc(C#N)ccc1C 156915189 UDFNRUKNARZCKS-UHFFFAOYSA-N 229.283 2.564 30 20 BFED O=[N+]([O-])c1ccc(O)c(/C=N/[C@H]2C=CCCC2)c1 158176543 SJSDZLPSNGMZMO-LUHPIMIVSA-N 246.266 2.828 30 20 BFED C#C[C@H](C)NCc1cc(Cl)ccc1F 162986340 KZUPMYBYAHQCOQ-QMMMGPOBSA-N 211.667 2.590 30 20 BFED C#CCCCCNc1ccc([N+](=O)[O-])c(C#N)c1 167110889 PVEBKZFFXCKMJX-UHFFFAOYSA-N 243.266 2.682 30 20 BFED CCOc1cccc(C(=O)NCCCCC#N)c1 171499603 YDUHGFWLCKSVJS-UHFFFAOYSA-N 246.310 2.509 30 20 BFED C=CCCO[C@H](C)C(=O)N1CCC[C@H](C)[C@@H]1C 172658022 LEQYGPUENRELBF-RWMBFGLXSA-N 239.359 2.615 30 20 BFED C=CCOCCCC(=O)N[C@@H](C)C[C@H](C)CC 174132091 BRDBMMMNVSVQAG-OLZOCXBDSA-N 241.375 2.910 30 20 BFED N#Cc1ccnc(SCCCCCCO)c1 176619403 JIHHXAOHBHHRKI-UHFFFAOYSA-N 236.340 2.598 30 20 BFED CC[C@@H](C)CN(CC)C[C@H](C#N)CCC#N 177064578 XDMUFRGCSGOYRK-OLZOCXBDSA-N 221.348 2.798 30 20 BFED C#CCCC/N=C(\N)N[C@H](C)CCCC(C)C 178586156 LLDSPZYAIPPHGZ-CYBMUJFWSA-N 237.391 2.519 30 20 BFED CC[C@@H](C#N)OC(=O)c1cc2nc(C)ccc2o1 179172187 STJCXGQQBFMPJN-VIFPVBQESA-N 244.250 2.595 30 20 BFED C=C(C)CN(C)[C@H](C(=O)OCC)c1ccccc1 181247335 OWICVVNJLKLGDI-AWEZNQCLSA-N 247.338 2.799 30 20 BFED C=C(C)CN(C)CC(=O)Nc1ccc(C)cc1C 181263902 XTYNKPMJHMQJOT-UHFFFAOYSA-N 246.354 2.750 30 20 BFED Cc1cccc(C2=CCN(C(=O)CC#N)CC2)c1 185947512 ASBQIAORAKVBJF-UHFFFAOYSA-N 240.306 2.524 30 20 BFED C=CCCCC(=O)N1CCSCC[C@@H]1C 190037554 UPRGZLSYGCRARQ-NSHDSACASA-N 227.373 2.697 30 20 BFED CC[C@@H]1CCCN(Cc2cc(C#N)n(C)c2)CC1 191383316 UBEWUOOLRXIVOQ-CYBMUJFWSA-N 245.370 2.909 30 20 BFED C=CCSCCNC(=O)CCc1ccccc1 194506091 LXFIHIMUFIVTIU-UHFFFAOYSA-N 249.379 2.655 30 20 BFED C=CCSCCNC(=O)N(CC)CC(C)C 194624150 JMGSYFHJVVGYJH-UHFFFAOYSA-N 244.404 2.593 30 20 BFED CC[C@H](C)N/C(N)=N/Cc1cccc(Cl)c1 194685254 NCUNIHYCZBAPOO-VIFPVBQESA-N 239.750 2.543 30 20 BFED C#CCN(C)Cc1c(Cl)ccc2cccnc12 196395757 NVKYYEFDRBSPQX-UHFFFAOYSA-N 244.725 2.953 30 20 BFED N#CCCNCc1cccc(OC(F)(F)F)c1 220715514 KWRJHVGBHNJBEJ-UHFFFAOYSA-N 244.216 2.588 30 20 BFED C#CCCCNc1cccc([N+](=O)[O-])c1C 231634025 WTWYAWAKJQTFRF-UHFFFAOYSA-N 218.256 2.729 30 20 BFED Cc1cc(C#N)nc(N(C)CC2CCCCC2)n1 231898093 PBMBNRVNTCNQHG-UHFFFAOYSA-N 244.342 2.673 30 20 BFED O=CCC(=O)c1cc(Cl)sc1Cl 236034856 OJSVQIPOVBYNLD-UHFFFAOYSA-N 223.080 2.827 30 20 BFED C=CCCCCCN(C)C(=O)[C@H](N)[C@@H](C)CC 237035308 NDHHLDWADAVNNI-QWHCGFSZSA-N 240.391 2.565 30 20 BFED Cn1cc(CN2CCC[C@H]3CCC[C@H]32)cc1C#N 248879925 PDFBQSRKOPNMPQ-UKRRQHHQSA-N 243.354 2.661 30 20 BFED C[C@@H]1CCCC[C@H]1NC[C@@H](C#N)CCC#N 249516578 FKVAMUOHIHQSJC-JHJVBQTASA-N 219.332 2.598 30 20 BFED O=[N+]([O-])c1ccc(O)c(/C=N\C2CCCC2)c1 255381505 HTFXJPUWPHFBOP-JYRVWZFOSA-N 234.255 2.662 30 20 BFED Cc1ccc2[nH]c(C(=O)N[C@@H](C)CC#N)cc2c1 259765252 ZVFSATGLQLSIIW-JTQLQIEISA-N 241.294 2.508 30 20 BFED CC[C@H](C)N/C(N)=N/C[C@H]1CCCC(F)(F)C1 261615735 BETHCBXSZBDDRV-UWVGGRQHSA-N 247.333 2.515 30 20 BFED CC(C)(C)N/C(N)=N/C[C@@H]1CCCC(F)(F)C1 261623389 CEEYGEXZLDMMED-SECBINFHSA-N 247.333 2.515 30 20 BFED C#Cc1cccc(N(CC)C(=O)CC2CC2)c1 264118247 MYEBOVXMSPVPPW-UHFFFAOYSA-N 227.307 2.821 30 20 BFED C=CC[C@@H](C)NC(=O)c1c(C)nn(CCC)c1C 268355285 NZGWUHTUELYYEG-SNVBAGLBSA-N 249.358 2.604 30 20 BFED C=CCC[C@@H](O)CN1C[C@H](C)Oc2ccccc21 268537394 JYZQPWAAASVACL-QWHCGFSZSA-N 247.338 2.601 30 20 BFED C=C(C)CNC(=O)N[C@@H]1CCc2cc(C)ccc21 275193603 BUTOMPSQCHPGQQ-CQSZACIVSA-N 244.338 2.858 30 20 BFED C=C1CCN(C(=O)Cc2ccccc2CC)CC1 276859922 CMPFCEVUXFYHJP-UHFFFAOYSA-N 243.350 2.970 30 20 BFED C#CC(C)(C)N(C)Cc1ccc(F)c(F)c1 279272412 NNWQPPMCKDYMLT-UHFFFAOYSA-N 223.266 2.808 30 20 BFED C=CC[C@H](CC)NC(=O)Cc1cccs1 281412827 PQILJJBQUIYKGV-JTQLQIEISA-N 223.341 2.762 30 20 BFED C#C[C@H](NC(=O)c1cc2sccc2[nH]1)C(C)C 282158675 QTQOEZNYWTVMFU-VIFPVBQESA-N 246.335 2.617 30 20 BFED C=CCCN(C)CC[C@@H](O)c1ccccc1 285377821 RRFSMZTVTALLFC-CQSZACIVSA-N 219.328 2.618 30 20 BFED CC1(C)C[C@@H](Nc2ccnc(C#N)c2)C(C)(C)O1 286099707 CVRONRHXAXIOMI-GFCCVEGCSA-N 245.326 2.711 30 20 BFED CC[C@H](CC(=O)Nc1[nH]nc(C)c1C#N)C(C)C 287724580 BJLLHKCBHGBZAG-SNVBAGLBSA-N 248.330 2.601 30 20 BFED Cc1nc(C)c(C#N)c(SCOC2CCC2)n1 289671340 PBXHFHKQSFBTRE-UHFFFAOYSA-N 249.339 2.584 30 20 BFED C[C@H]1CCCN1C(=O)Nc1ccc(C#N)c(F)c1 289703512 IUKLCEWCCHTKSD-VIFPVBQESA-N 247.273 2.714 30 20 BFED C=CCC(C)(C)C(=O)Nc1cccnc1 292188631 JRKWTOBWVRUKBX-UHFFFAOYSA-N 204.273 2.622 30 20 BFED CC(C)(C)OCCSc1ccc(C#N)cn1 299360225 PFMPDXRDRWDNCC-UHFFFAOYSA-N 236.340 2.860 30 20 BFED C[C@H](CCC#N)N1CC=C(C(F)(F)F)CC1 299730171 WQQYMKMHLPFAOQ-SECBINFHSA-N 232.249 2.873 30 20 BFED CCC1(CNc2ccc(C#N)nn2)CCCC1 301967157 OSWWVYCUJYEDNV-UHFFFAOYSA-N 230.315 2.731 30 20 BFED COc1cccc(N/C(N)=N/CCCC2CC2)c1 304751655 JNYAKOIBKOCEED-UHFFFAOYSA-N 247.342 2.612 30 20 BFED Cc1cc(C#N)cc(NC[C@H]2CCC=CO2)c1 308108116 PYSMFPUKUSPBBJ-CQSZACIVSA-N 228.295 2.971 30 20 BFED CS[C@@H]1CC[C@H](N[C@H]2CC[C@@H](C#N)C2)C1 309081378 QBVFLLMQHBXOQJ-NOOOWODRSA-N 224.373 2.552 30 20 BFED C=CCC[C@@H](NC[C@H](CO)C(C)C)C1CC1 309673023 KSEVMHJWGDAGPT-ZIAGYGMSSA-N 225.376 2.585 30 20 BFED Cc1cc(N=C(O)[C@H]2CCCO2)cc2n[nH]cc12 329091123 WTEAJEOVSVDEEL-GFCCVEGCSA-N 245.282 2.638 30 20 BFED CC[C@H](O)CCC/N=C(/O)c1cc(C)oc1C 330944025 IBUNWXBDIZVYBC-NSHDSACASA-N 239.315 2.752 30 20 BFED CC1(CCNC(=O)C2(C#N)CCCCC2)CC1 331859855 NIADQEPMSFRSGK-UHFFFAOYSA-N 234.343 2.767 30 20 BFED Cc1ccnc(N(C)C[C@H](C)C#N)c1Cl 334356376 NGPQXFDPBIYKPW-MRVPVSSYSA-N 223.707 2.639 30 20 BFED Cc1ccc2c(C(=O)N[C@@H](C)C#N)csc2c1 334996976 LRSJWACFKHCCIH-VIFPVBQESA-N 244.319 2.852 30 20 BFED N#CCc1cccc(NC(=O)C2=CCCC2)c1 335002396 CJCPGUFYTBUSEJ-UHFFFAOYSA-N 226.279 2.801 30 20 BFED N#CCCC1CCN(C(=O)C2=CCCC2)CC1 335502282 YHANVXRADQQDJK-UHFFFAOYSA-N 232.327 2.639 30 20 BFED N#Cc1ccnc(N2CCC[C@H](F)C2)c1Cl 335669284 GUCKEFVYJGVBCZ-VIFPVBQESA-N 239.681 2.545 30 20 BFED C[C@H]1C[C@@]1(C#N)C(=O)N1CCC2(CCCC2)CC1 336209422 MUPFZAPMSXQRGI-WFASDCNBSA-N 246.354 2.719 30 20 BFED Cc1[nH]c(C#N)cc1C(=O)NC1CCCCCC1 336233594 JEWBVXRTMKUQNE-UHFFFAOYSA-N 245.326 2.647 30 20 BFED Cc1sccc1C(=O)N(C)C1(C#N)CCC1 336240077 ZMEGDGKJOOANMF-UHFFFAOYSA-N 234.324 2.575 30 20 BFED N#Cc1ccc(OCC2(C#N)CC2)c(Cl)c1 336357633 KISNPTGPFKOKAR-UHFFFAOYSA-N 232.670 2.894 30 20 BFED C=C(C)CN=c1[nH]c(CC2CC2)cs1 336680977 HEXNBWJLZGLWIM-UHFFFAOYSA-N 208.330 2.506 30 20 BFED Cc1ccc(CNCCCC#N)cc1F 336743807 YMTYLXRBFPCPPE-UHFFFAOYSA-N 206.264 2.528 30 20 BFED C=CCCN[C@H](C)[C@@H]1CCCN(C2CCC2)C1 338568849 AEPYZDMXPGYUML-ZIAGYGMSSA-N 236.403 2.805 30 20 BFED C=CCOCCN1CC[C@H](C)C[C@H](C)C1 339050356 CKQPMBXIWKBBPO-STQMWFEESA-N 211.349 2.557 30 20 BFED C=CCC(C)(C)c1noc([C@@H]2CN(C)C[C@H]2C)n1 340815300 IHLYPIHBFSNUOD-GHMZBOCLSA-N 249.358 2.588 30 20 BFED C=CCCN(C)C(=O)NC[C@H]1CCC[C@@H]1C 342111015 MRFAATCTWWSTLR-NWDGAFQWSA-N 224.348 2.640 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)[C@H](C)C(C)(C)C 343203427 VPMUOUAPXRPSTO-QWRGUYRKSA-N 224.348 2.677 30 20 BFED C=CCNC(=O)[C@@H](C)SCC/C=C\CC 343445781 PJMCTVHWMDUJRG-JMEBYUIHSA-N 227.373 2.767 30 20 BFED C=C(C)CCc1noc([C@@H]2CCC[C@@H](O)C2)n1 347213844 KQBHPHJQPCOBRO-GHMZBOCLSA-N 236.315 2.597 30 20 BFED C[C@@H](NCc1cc(C#N)ccc1F)c1ccon1 349243593 PYLUKWYWODJULI-SECBINFHSA-N 245.257 2.536 30 20 BFED C=C[C@H](C)NC(=O)C1CCC(CC)CC1 352994849 XNALTAANFXUFBF-UNXYVOJBSA-N 209.333 2.894 30 20 BFED C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[C@@H](C)C1 353417576 UIWMDEHXOHOCSR-GRYCIOLGSA-N 209.333 2.894 30 20 BFED CC[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)OC 353536326 AGNZRXHEWUGUNU-DZGCQCFKSA-N 244.338 2.560 30 20 BFED C=CCCCN(C)[C@H]1CCN(CC)[C@H](C)C1 354226540 WOCMQRKKJRHYHP-KGLIPLIRSA-N 224.392 2.757 30 20 BFED C=CCCC1(C(=O)N2CCC(=C)CC2)CC1 355672137 KDCGOTKHEKCPAO-UHFFFAOYSA-N 219.328 2.911 30 20 BFED C=C(C)Cn1c(C(C)C)nnc1N(C)C1CCC1 358930116 BMUXIZVHQBMNDC-UHFFFAOYSA-N 248.374 2.966 30 20 BFED C#CCCCC(=O)N[C@H]1C[C@H]1C1CCCCC1 365426618 IKTJZQORVDFOLO-KBPBESRZSA-N 233.355 2.875 30 20 BFED CCCCCC(=O)NCc1ccc(C#N)c(F)c1 404573549 LZPBAMSMPKMZER-UHFFFAOYSA-N 248.301 2.894 30 20 BFED N#Cc1ccc(=NC[C@@H]2CCC[C@H]2C2CC2)[nH]c1 413481609 NUPNCBMIPPPESO-KBPBESRZSA-N 241.338 2.613 30 20 BFED 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C#C[C@@H](NC(=O)C1C(C)(C)C1(C)C)C(C)(C)C 702245042 QHKRWFGCCIFVLN-SNVBAGLBSA-N 235.371 2.833 30 20 BFED C=CCCC(C)(C)NC(=O)c1ccc(F)nc1 717674053 WJWGBOGILVIUIG-UHFFFAOYSA-N 236.290 2.695 30 20 BFED CCCCCCCC(=O)N=c1cc[nH]cc1C#N 730089234 NEUVNZDTXYBWRY-UHFFFAOYSA-N 245.326 2.674 30 20 BFED C=C(Cl)COC(=O)[C@H](C)N1CCCCCC1 741031142 LJOLKZXDHLYZNI-NSHDSACASA-N 245.750 2.547 30 20 BFED CCC(=NNc1ccccc1)c1cnn(C)c1 741810916 MUKOXRKRBDQCCF-UHFFFAOYSA-N 228.299 2.646 30 20 BFED CCC/C=C\C(=O)NCc1cc(C#N)ccc1F 742732807 HQODPGXMVILQDN-PLNGDYQASA-N 246.285 2.670 30 20 BFED CC(C)CN(CCC#N)C(=O)[C@H]1CC12CCCC2 747369060 OSXVHJPQGVDEMM-CYBMUJFWSA-N 248.370 2.965 30 20 BFED C[C@H](C#N)CNN=C/C=C/c1ccc(F)cc1 747762238 AEYLTLHGOHBBHJ-ULEANKLUSA-N 231.274 2.574 30 20 BFED CCc1ncc(C=NNCc2ccccc2)s1 752163808 LRPFFLBFVSKNPR-UHFFFAOYSA-N 245.351 2.829 30 20 BFED FC(F)CNN=Cc1cnc(C2CCC2)s1 760259242 CSQILZAOCWXACE-UHFFFAOYSA-N 245.298 2.599 30 20 BFED C#CCCOC(=O)c1ccc(N(CC)CC)cc1 765434305 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C=CCOC(=O)c1cc(O)c2ccsc2c1 786132695 IJGARFQMGJMMHZ-UHFFFAOYSA-N 234.276 2.950 30 20 BFED CCCCCCCC(=O)N1CC[C@@](F)(C#N)C1 786231753 BULSJFDLNFARJS-CYBMUJFWSA-N 240.322 2.811 30 20 BFED C[C@@H]1C[C@H]1c1ccc(C=NNc2nccn2C)o1 790302381 ROXRPHXGMTYGAH-MWLCHTKSSA-N 244.298 2.583 30 20 BFED N#Cc1ccc(C(=O)OCCCCCF)cc1 791498438 YTGDFKBFCBHITR-UHFFFAOYSA-N 235.258 2.855 30 20 BFED C=CCCCCC[C@@H](C)N[C@@H](C)C(=O)N(C)C 793556886 IQCBYEDZMMGQRU-OLZOCXBDSA-N 240.391 2.578 30 20 BFED N#Cc1ccc(COC(=O)C2CCCC2)c(F)c1 794583699 KVQKHKBGKUITQT-UHFFFAOYSA-N 247.269 2.931 30 20 BFED C=CCC(C)(C)C(=O)O[C@H]1CC[C@@H](OC)C1 797243297 KQGVSEATTOJOJO-MNOVXSKESA-N 226.316 2.699 30 20 BFED C[C@@H]1CCC[C@@H]1C/N=C\c1ccc(O)c(O)c1O 798343681 NTCXQEPHLGRNBK-VVWQTCAUSA-N 249.310 2.659 30 20 BFED Cc1ccc(C(=O)N(C)C2CCCC2)cc1C#N 799301341 OVXVASVGNSLMKC-UHFFFAOYSA-N 242.322 2.881 30 20 BFED CC(C)OC[C@@H](C)Nc1cccc(OCC#N)c1 800518977 ICJVOJYTVFSQQI-GFCCVEGCSA-N 248.326 2.814 30 20 BFED C#CCCCCCC(=O)OCc1ccncc1 803426089 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219.284 2.561 30 20 BFED C=C(C)CONC(=O)c1ncsc1C(C)C 846533801 NHBSPOHOCROYCP-UHFFFAOYSA-N 240.328 2.504 30 20 BFED C=C(C)CONC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 846535466 AWPGQYOUAKUKBB-GDNZZTSVSA-N 225.332 2.683 30 20 BFED C=CCCSCCNC(=S)NC(C)(C)C 849277619 FXJWVPKFXHPJHM-UHFFFAOYSA-N 246.445 2.558 30 20 BFED Cc1cc(C#N)ccc1COC(=O)CCCF 850195004 MFPGLCXMIYIRCS-UHFFFAOYSA-N 235.258 2.660 30 20 BFED C[C@@H](CC#N)OC(=O)[C@@H]1CCc2cc(F)ccc21 850842184 JAUXHCVQXDSXQZ-TVQRCGJNSA-N 247.269 2.701 30 20 BFED C#C[C@@H](OC(=O)CCCF)c1ccc(F)cc1 851086776 GZTKRDXNGZKDNQ-GFCCVEGCSA-N 238.233 2.793 30 20 BFED C=CCCNC(=O)N[C@H](C)c1ccc(C)s1 852283501 AAZLKYOAFCCKLO-SNVBAGLBSA-N 238.356 2.993 30 20 BFED C#CC1CCC(=NNc2cccc(OC)n2)CC1 853331096 HDCLHMYHDXAYSE-UHFFFAOYSA-N 243.310 2.682 30 20 BFED C#CC1CCC(=NNc2cccc(F)n2)CC1 853344764 SCQWGVFQOKSQKB-UHFFFAOYSA-N 231.274 2.812 30 20 BFED Cc1ccc(C#N)nc1N[C@@H]1CC[C@H](C)C1 853509123 QEFFVGDQZHWWIR-GXSJLCMTSA-N 215.300 2.862 30 20 BFED 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C=CCNN=C1CC(C)(C)Cc2occc21 794998556 LSPLRTHSMYMOHL-UHFFFAOYSA-N 218.300 2.732 30 20 BFED C=C(C)CNC(=S)N1CCC2(CCC2)CC1 795138133 HGJXAAWAKNVDSG-UHFFFAOYSA-N 238.400 2.703 30 20 BFED C=CCC(C)(C)C(=O)OCCCCC#N 796463475 QAHDCFJNOSEAQO-UHFFFAOYSA-N 209.289 2.826 30 20 BFED C=CCOCCOC(=O)C(C)(C)CC(C)C 797312025 SJIFIQGIIIMBRU-UHFFFAOYSA-N 228.332 2.805 30 20 BFED CCC[C@H](C)NC(=O)/C=C\c1ccccc1C#N 799623334 CCRLXBIZPCOHGN-PRDAAYKISA-N 242.322 2.876 30 20 BFED COc1ccc(N[C@H]2CC[C@H](C#N)C2)c(OC)c1 799721221 WXUKKKWJDBEPMQ-QWRGUYRKSA-N 246.310 2.808 30 20 BFED COc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1F 799723580 MWBADFKTZBKKNO-NXEZZACHSA-N 234.274 2.938 30 20 BFED N#CCOc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 799734365 BTWGYZGQLRGFEZ-WCQYABFASA-N 241.294 2.693 30 20 BFED CCC(=NN[C@@H]1CCSC1)c1ccccc1 808002763 DIYGFOWKVWDSCP-GFCCVEGCSA-N 234.368 2.896 30 20 BFED C#Cc1ccccc1CC(=O)OCC(=C)CC 811258695 ZUOSOHZFZUTXPQ-UHFFFAOYSA-N 228.291 2.720 30 20 BFED COc1ccsc1C=NOC/C=C/Cl 811672194 SJXWTYDDGSIUET-TWXZPSTKSA-N 231.704 2.860 30 20 BFED C#CCCCCN[C@@H]1CCc2cccnc2CC1 817579348 BNAQAJATLMEHHJ-OAHLLOKOSA-N 242.366 2.722 30 20 BFED C=C[C@@H](CC)CC(=O)NCCc1ccc(C)cn1 822277621 SEGNVMKVYOVIAZ-ZDUSSCGKSA-N 246.354 2.651 30 20 BFED C=C[C@H](CC)CC(=O)N[C@@H]1CCS[C@H]1C 823721781 XOCLOOBLBUKUSF-HBNTYKKESA-N 227.373 2.599 30 20 BFED C#Cc1ccc(CN[C@H](CC)C(F)F)cc1 824510771 ZWMKYCJYHCVIRM-GFCCVEGCSA-N 223.266 2.801 30 20 BFED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(C)=C1CCC1 831683628 YAFVVCZACMMIRL-KBPBESRZSA-N 249.354 2.584 30 20 BFED C=CCN(C(=O)Nc1cccnc1F)C(C)C 832109058 JWTRARUTAHZASE-UHFFFAOYSA-N 237.278 2.649 30 20 BFED C[C@H]1CC(=NNc2cccc(C#N)c2)[C@@H](C)O1 834937947 VAFRAFLUHDEGTL-VHSXEESVSA-N 229.283 2.523 30 20 BFED C[C@H](CC#N)OC(=O)CCCC(=O)C(C)(C)C 835159980 WGNBLRFZILFBLC-SNVBAGLBSA-N 239.315 2.617 30 20 BFED CC[C@@H](CC(C)C)C(=O)OC[C@H](C)C#N 835238673 PZKWLNIKYUEUGN-MNOVXSKESA-N 211.305 2.762 30 20 BFED C=CCC[C@@H](OC(=O)[C@@H]1CC1(F)F)C1CC1 835243108 HOJIVWNDPMXWEJ-VHSXEESVSA-N 230.254 2.930 30 20 BFED C=CC(C)(C)COC(=O)Cc1ccc(OC)cc1 835724773 QOYHJSSDPBQHCX-UHFFFAOYSA-N 248.322 2.993 30 20 BFED C=CC(C)(C)COC(=O)CCOCC(C)C 835726175 NJZSQGKAMLFNHI-UHFFFAOYSA-N 228.332 2.805 30 20 BFED C=CC(C)(C)COC(=O)CCc1nccs1 835726675 UKXJDIYBKNINOO-UHFFFAOYSA-N 239.340 2.831 30 20 BFED C=C(CC)CNC(=O)NCCSC(C)(C)C 836271447 KWENIIOOUSRRLW-UHFFFAOYSA-N 244.404 2.784 30 20 BFED Cc1cccc(O)c1NC(=O)C#CC(C)(C)C 837509547 QKEZDCFPXGSTCX-UHFFFAOYSA-N 231.295 2.689 30 20 BFED C=CCONC(=O)N(C)[C@H](C)c1ccc(C)cc1 838703554 GMWCKCIZYGYCRK-GFCCVEGCSA-N 248.326 2.815 30 20 BFED C=CCONC(=O)NCC(C)(C)C1CCCC1 838709070 NVKYRFBKVDAYIK-UHFFFAOYSA-N 240.347 2.620 30 20 BFED C=CCONC(=O)N1CCC(CC(C)C)CC1 838711190 GRHUPTYJXFCYRN-UHFFFAOYSA-N 240.347 2.572 30 20 BFED CCC(C)(C)OCC(=O)Oc1ccc(C#N)cc1 838784521 UOEZVGZNGSPSNP-UHFFFAOYSA-N 247.294 2.669 30 20 BFED C#CC(C)(C)N(C)CCOCC1CCCC1 838969768 ASUBSTCHJWVYFG-UHFFFAOYSA-N 223.360 2.537 30 20 BFED CCn1nncc1/C=C\C(=O)c1csc(C)c1 841486115 AORZVXJBJDMXRI-PLNGDYQASA-N 247.323 2.564 30 20 BFED C#Cc1cccc(N(C)C[C@H](CC)OC)c1 842150647 JLMJFQMHAYXVLU-AWEZNQCLSA-N 217.312 2.529 30 20 BFED C#Cc1cccc(N(CC)C[C@@H](CC)OC)c1 842151303 AQAHKXRIGQDPDW-OAHLLOKOSA-N 231.339 2.919 30 20 BFED CCN(CCO)N=C(C)c1cc(C)c(C)cc1C 842534267 KKDBLAPGVBGSJF-UHFFFAOYSA-N 248.370 2.650 30 20 BFED C=C(C)CON=Cc1ncc(CC)s1 844619794 LQORTLBTCRWYEW-UHFFFAOYSA-N 210.302 2.632 30 20 BFED C=CCCC(=O)COC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 845226097 HMADKRJONVFAQO-MBNYWOFBSA-N 248.322 2.667 30 20 BFED C=C(Cl)CN1CCN(C)C2(CCCCC2)C1 846947394 REXUASREMDFCDJ-UHFFFAOYSA-N 242.794 2.689 30 20 BFED CC#CCCOC(=O)[C@@H]1CCc2cc(F)ccc21 850271064 PVYHEZLAZSGKGJ-CQSZACIVSA-N 246.281 2.812 30 20 BFED C#CCOCCN1CCC[C@@H](c2ccccc2)C1 852087014 VFLLFFDDVQZSEM-MRXNPFEDSA-N 243.350 2.516 30 20 BFED CC[C@H]1COCC1=NN[C@@H]1CCCC1(C)C 853341508 SACYZVMRQGDGHP-CMPLNLGQSA-N 224.348 2.567 30 20 BFED C#Cc1cccnc1NCCCC(F)(F)F 853394448 PFXHVMRZONAXDD-UHFFFAOYSA-N 228.217 2.817 30 20 BFED C#Cc1cccnc1N[C@H]1CC(C)(C)OC1(C)C 853469967 BYLUPLUNQCNIPT-LBPRGKRZSA-N 244.338 2.821 30 20 BFED C#Cc1cccnc1NCCC1(C)CC1 853558761 UWIYWSRGHXNFKF-UHFFFAOYSA-N 200.285 2.665 30 20 BFED C#C[C@H](NC(=O)NC1(CC=C)CCCC1)C(C)C 854068347 JBPZRTFIMSEEGD-ZDUSSCGKSA-N 248.370 2.832 30 20 BFED CC(C)=C(C)C(=O)NCCc1ccc(C#N)cc1 855223974 CGTYCQILBNARKK-UHFFFAOYSA-N 242.322 2.573 30 20 BFED C=C(C)CNC(=O)OCc1ccccc1C 859116818 YNCNLYXKTDQPFR-UHFFFAOYSA-N 219.284 2.797 30 20 BFED C=CCOCCOC(=O)C[C@H](C)c1ccco1 859814953 KOBJAULHYSERRQ-NSHDSACASA-N 238.283 2.519 30 20 BFED CC(C)=NNC(=S)Nc1ccccc1F 864095606 SFGLGWAYHCYFPG-UHFFFAOYSA-N 225.292 2.508 30 20 BFED C=CCCN(C)c1cc(F)c(C#N)cc1[N+](=O)[O-] 865715466 SYQIGTKIISZZJB-UHFFFAOYSA-N 249.245 2.618 30 20 BFED C#CCCCOc1cccc(C(C)=O)c1F 871717477 WJSKLBVJWROMFS-UHFFFAOYSA-N 220.243 2.821 30 20 BFED C=C[C@H](C)N[C@@H](C)c1cccc(O)c1F 872041404 HTQPXWOQVWIXOM-IUCAKERBSA-N 209.264 2.756 30 20 BFED O=C(O)Cc1ccc(NN=C2CC[C@@H]3C[C@H]23)cc1 872386778 BROXCAIPFYOVAI-PWSUYJOCSA-N 244.294 2.512 30 20 BFED C#CCCCCCCN[C@H](C)C[C@@H]1CCOC1 877093157 OXZJUGBBPKUTMJ-CABCVRRESA-N 237.387 2.975 30 20 BFED C#CCCCCCCNCc1cnccc1OC 877547964 BAAXYUBQIWOUOI-UHFFFAOYSA-N 246.354 2.764 30 20 BFED C=CCCCNc1ccnc(F)c1[N+](=O)[O-] 882280680 IDWLCZPKWSFFNA-UHFFFAOYSA-N 225.223 2.507 30 20 BFED C=CCCC[C@@H](C)NC(=O)N1C[C@H]2C=C[C@H]1C2 883554609 ADDWFGIZMSSJTH-AGIUHOORSA-N 234.343 2.701 30 20 BFED C=CC(C)(C)CC(=O)OC[C@H]1CCC[C@@H](O)C1 884649070 SAQPHKDAWLJTSP-NWDGAFQWSA-N 240.343 2.683 30 20 BFED CC(C)[C@@H](Cc1ccccc1)N[C@@H](C)C#N 887313983 PFTRGXHWBTXVST-GXTWGEPZSA-N 216.328 2.755 30 20 BFED C=CC1(OC(=O)c2csc(C(C)=O)c2)CC1 893358900 NVLUGHQGBJFOBH-UHFFFAOYSA-N 236.292 2.826 30 20 BFED C=CC1(OC(=O)CCCOC(C)(C)C)CC1 893359345 WRQQTTQITIHNRB-UHFFFAOYSA-N 226.316 2.844 30 20 BFED C=C[C@H]1CCCCN1c1cc(C(F)F)ncn1 893551423 LSVRBPWQGAYUPT-VIFPVBQESA-N 239.269 2.959 30 20 BFED C=C1CCC(c2nc(-c3cnc[nH]3)no2)CC1 896480513 JBDWAKCXBSSTMK-UHFFFAOYSA-N 230.271 2.674 30 20 BFED CC#CCN(C)C(=O)CCCCc1ccccc1 897861543 IREUTTWUKFXDJU-UHFFFAOYSA-N 243.350 2.881 30 20 BFED Cc1cc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)cnc1F 901208429 QPSWWFJPRYDLAB-WCFLWFBJSA-N 247.317 2.641 30 20 BFED C=CCNc1nnc(S[C@@H](C)OCC)s1 901366272 PLRXSKZUZDGCHK-ZETCQYMHSA-N 245.373 2.611 30 20 BFED C=CCC[C@H](N[C@@H]1CCCCC1(C)C)C(=O)O 901689892 HRMCFXMIYZXOAX-NWDGAFQWSA-N 239.359 2.964 30 20 BFED CCC[C@@H](O)CN[C@H](CC)c1cccc(C#N)c1 902802902 QVLGPPSEDNDJCY-HUUCEWRRSA-N 246.354 2.760 30 20 BFED C=CCC[C@@H](CC)NCc1cc(N(C)C)ccn1 903201567 JMJUXYZDRUMOCA-CYBMUJFWSA-N 247.386 2.982 30 20 BFED C=CCC(C)(C)c1noc(-c2cc(OC)no2)n1 906118021 FZEOBFQLRWOFHT-UHFFFAOYSA-N 249.270 2.587 30 20 BFED C=C[C@@H](CC(=O)N1CC=CC1)c1ccccc1 910010246 AARVHNKBVXFLRT-ZDUSSCGKSA-N 227.307 2.745 30 20 BFED C=CCCCC(=O)N[C@H](C)c1c(C)n[nH]c1C 910076053 JIKPHDKNTBMMKG-SECBINFHSA-N 235.331 2.560 30 20 BFED C=C(Cl)CNC(=O)[C@@H](C)c1ccccc1C 933169405 DVVVMXBXHFWVMN-NSHDSACASA-N 237.730 2.967 30 20 BFED CCC[C@@H]1C[C@H]1NC(=O)c1cc(C#N)ccc1C 933877031 PEZSAFQIYWOMBY-TZMCWYRMSA-N 242.322 2.785 30 20 BFED C=C[C@@H](CC)CC(=O)NCC(C)(C)CCOC 935386524 OBRAMJNNZNUAEL-LBPRGKRZSA-N 241.375 2.768 30 20 BFED CC(C)=C(C)C(=O)N[C@H](C#N)C1CCCC1 1119445337 KKERDSWCDJDKAG-GFCCVEGCSA-N 220.316 2.541 30 20 BFED C=C(C)CCC(=O)O[C@H]1C[C@H](OC)C12CCC2 1123061117 FRQAAOWPKIEQBB-RYUDHWBXSA-N 238.327 2.844 30 20 BFED C#CCN(CC#N)CC[C@@H](C)c1ccccc1 1262376448 RFFJPQJKSFPOIR-CQSZACIVSA-N 226.323 2.639 30 20 BFED CC[C@@H](NC(=O)c1ccc(C#N)cc1F)C1CC1 1262632336 GPEXMMXHXHJZKO-CYBMUJFWSA-N 246.285 2.616 30 20 BFED CO[C@H](CNc1cccc(CC#N)n1)C(C)(C)C 1320359809 RYLXTFOJYPKDAR-GFCCVEGCSA-N 247.342 2.621 30 20 BFED C=C[C@@H](COC)NC(=O)[C@@H](CC)CCCC 1321255489 PMWJUNSHFBKBDB-RYUDHWBXSA-N 227.348 2.520 30 20 BFED CC(C)OC[C@@H](C)Nc1ccc(OCC#N)cc1 1322652684 PJAKHEBFHUNRBY-GFCCVEGCSA-N 248.326 2.814 30 20 BFED CC(=NOC(C)(C)C)[C@@H]1C[C@H]2CC[C@H]1O2 1330721744 QMHZJGYKFVLZFG-OUAUKWLOSA-N 211.305 2.745 30 20 BFED C=C1CCC(C(=O)NC(C)(C)CF)CC1 1331485582 QVZZFVQUBJUYCU-UHFFFAOYSA-N 213.296 2.597 30 20 BFED N#Cc1cc(OCCF)ccc1Br 1473096653 SKIZLGXZCUUDJN-UHFFFAOYSA-N 244.063 2.669 30 20 BFED Cc1cc(C#N)cc(NCc2n[nH]cc2C)c1 1474178869 CDIKOZDYRKHEGV-UHFFFAOYSA-N 226.283 2.510 30 20 BFED C=Cc1ccccc1NC(=O)N[C@H](C)CC#N 1563177065 YDQPOMONSGDELK-SNVBAGLBSA-N 229.283 2.753 30 20 BFED CC[C@H](C)C(=O)Nc1ccccc1C#N 5665563 MANFACMPMLPPSQ-VIFPVBQESA-N 202.257 2.543 30 20 BFED C[C@@H](NC(=O)c1ccoc1)c1ccc(C#N)cc1 26123734 JZPQWXNATDFSEY-SNVBAGLBSA-N 240.262 2.642 30 20 BFED CCOC[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 44688655 TXNQRCOBLYHJJP-NEPJUHHUSA-N 232.327 2.634 30 20 BFED Cc1cccc(C(=O)[C@H](C#N)c2ccccn2)c1 46439982 RWBLFKQVQBVPMW-CYBMUJFWSA-N 236.274 2.880 30 20 BFED C[C@@H]1CCC[C@H](Nc2nccnc2C#N)[C@@H]1C 54377086 YGAGSEGJMNIULS-MXWKQRLJSA-N 230.315 2.585 30 20 BFED CSC[C@@H](C)C(=O)Nc1cc(C#N)ccc1C 66768105 QAQLYXPVZIULRR-SNVBAGLBSA-N 248.351 2.804 30 20 BFED CCC[C@@H](C#N)NC(=O)CC(C)(C)CC 73061052 FRQIUWPFFPNQFL-JTQLQIEISA-N 210.321 2.621 30 20 BFED COC[C@@H](Nc1cccc(F)c1C#N)C(C)C 78359128 ICSDNCQLAAXOGG-CYBMUJFWSA-N 236.290 2.780 30 20 BFED C=CCN(Cc1ccccc1F)C(=O)NC1CC1 79426960 INGQFCAQZONRPF-UHFFFAOYSA-N 248.301 2.686 30 20 BFED CN(Cc1ccc(C#N)cc1)C(=O)CC1CCC1 79487255 MFKQLXKVFSKBST-UHFFFAOYSA-N 242.322 2.707 30 20 BFED N#CCC1(COc2ccc(C=O)cc2)CC1 83854537 MVHKANSKBNKVKU-UHFFFAOYSA-N 215.252 2.572 30 20 BFED C#CCNc1ccc(-n2cccn2)c(Cl)c1 85275961 ISAVPVSKZGDZEO-UHFFFAOYSA-N 231.686 2.571 30 20 BFED C=C(Cl)CN[C@@H](C)c1c(C)noc1C 86110305 GPGDFGMZTOYOSM-ZETCQYMHSA-N 214.696 2.695 30 20 BFED CS[C@H]1CCCCN(c2cnccc2C#N)C1 91744967 BFWKSCLDKSBQQH-LBPRGKRZSA-N 247.367 2.675 30 20 BFED C=CCCC(=O)Oc1ccc(C)cc1OC 102217501 RSVLHDBKCXRQLY-UHFFFAOYSA-N 220.268 2.875 30 20 BFED C=CCN1CCSC[C@@H]1c1ccccc1 115560767 OPDVYRIAEJHATA-CYBMUJFWSA-N 219.353 2.963 30 20 BFED C=C(C)CN(CC)[C@H](C)c1nc(C2CC2)no1 120398414 VQTKRVZHJZHRTK-SNVBAGLBSA-N 235.331 2.906 30 20 BFED C=CC[C@H](C)NCc1ccncc1Cl 122257140 IFPHCGIZURWIBP-VIFPVBQESA-N 210.708 2.789 30 20 BFED CCOC(=O)Nc1ccc(NC(C)C)cc1C#N 123828436 PMEDYTMDKHPRGF-UHFFFAOYSA-N 247.298 2.947 30 20 BFED CCCCCCCn1cnc2cnccc2c1=O 126471254 CVCFYWCTQNFDFN-UHFFFAOYSA-N 245.326 2.762 30 20 BFED C=CCOC(=O)CCOc1cccc(C)c1C 131288551 VHYWGOHONIOHHQ-UHFFFAOYSA-N 234.295 2.802 30 20 BFED CCC[C@H](O)CNc1cc(Cl)ccc1C#N 135475583 PSWTYYGNUJOOMG-NSHDSACASA-N 238.718 2.785 30 20 BFED C=CCOC(=O)[C@H](C)c1c(F)cccc1F 135971610 JSBSXXXEQDNIFD-MRVPVSSYSA-N 226.222 2.798 30 20 BFED CC[C@@](C)(C#N)C(=O)Nc1ccc(F)c(F)c1 136172583 CTHPTGXVIQKMFD-LBPRGKRZSA-N 238.237 2.843 30 20 BFED C=C[C@H](C)NC(=O)c1csc(CC(C)C)n1 154228816 ZEZVYBQKDQMPFY-VIFPVBQESA-N 238.356 2.646 30 20 BFED C=CCn1c(C)nnc1SC[C@H](C)CC 154295234 QHFQNQZYIXHAEA-SECBINFHSA-N 225.361 2.911 30 20 BFED N#Cc1ccc(N[C@@H]2CCO[C@H](C3CC3)C2)cc1 160425008 NVKZJOQVKXWTOC-CABCVRRESA-N 242.322 2.928 30 20 BFED C#C[C@@H](C)Nc1ccc2ncccc2c1[N+](=O)[O-] 162546272 QUPPMODBQKNRLV-SECBINFHSA-N 241.250 2.577 30 20 BFED CC#CCCNCc1ccc(F)c(Cl)c1 163416212 LIJADNJTBVFYSW-UHFFFAOYSA-N 225.694 2.982 30 20 BFED C[C@@H](C#N)N(C)C(=O)[C@H]1CCCc2sccc21 168297181 VDZNXNNMADHQQM-ONGXEEELSA-N 248.351 2.538 30 20 BFED Cc1nc(CSCc2cccc(C#N)c2)no1 170941453 ASJODYQNYGPLNG-UHFFFAOYSA-N 245.307 2.683 30 20 BFED C#CCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1C 173319494 JPHXRFPHRVKESK-CHWSQXEVSA-N 236.359 2.620 30 20 BFED C=CCCC(=O)NC[C@H]1CCCO[C@H]1C(C)C 177937030 QEFFHLFDMWGZSH-OCCSQVGLSA-N 239.359 2.520 30 20 BFED Cc1cc(F)ccc1NC(=O)c1c[nH]c(C#N)c1 179932292 BZSRPSMNTGENEV-UHFFFAOYSA-N 243.241 2.586 30 20 BFED C=CCCC[C@@H](C)NC(=O)N1CCCC1 181038668 RWWKNQUUKRUTBJ-LLVKDONJSA-N 210.321 2.537 30 20 BFED C=C(C)CN(C)C(=O)Nc1ccc2c(c1)CCO2 181563857 LECKNDUHAKWYJI-UHFFFAOYSA-N 246.310 2.661 30 20 BFED CC[C@H](CC#N)NC(=O)C[C@@H](CC)C(C)C 183862812 WQTOEWSFJWZYBA-VXGBXAGGSA-N 224.348 2.867 30 20 BFED C#CCC(C)(C)C(=O)N1Cc2ccccc2C1 185487646 YOIDPACDBFSSGZ-UHFFFAOYSA-N 227.307 2.578 30 20 BFED C=C[C@](C)(CC)C(=O)OCc1ncc(C)o1 189465313 NAJNYWMSYMRWRP-GFCCVEGCSA-N 223.272 2.629 30 20 BFED Cn1cc(CNc2cccc(F)c2)cc1C#N 189575753 MPYXOOCBHCKVNW-UHFFFAOYSA-N 229.258 2.648 30 20 BFED CCC(C)(C)C/N=C(\N)Nc1ccc(OC)cc1 190534765 PRJOPSLJLZFRBD-UHFFFAOYSA-N 249.358 2.858 30 20 BFED C#CCN(C)C(=O)C[C@H](C)c1ccc(CC)cc1 191172682 NJKJFIXGAOPVPS-ZDUSSCGKSA-N 243.350 2.834 30 20 BFED C(#Cc1ccccc1)CN1C[C@@H]2CCC[C@H]2C1 192067912 WTKYMSZZAAPJEW-HOTGVXAUSA-N 225.335 2.770 30 20 BFED C#CCCCC(=O)N(C(C)C)C1CCC1 192343570 ZQBKMFSVGUUCJS-UHFFFAOYSA-N 207.317 2.579 30 20 BFED C#CCSCCNc1cccc(Cl)n1 194157297 GJINYQQFHGTRIN-UHFFFAOYSA-N 226.732 2.513 30 20 BFED C[C@@H](CC#N)NC(=O)C[C@H](C)c1ccccc1 194721464 LLNXYJPJGMXAQO-RYUDHWBXSA-N 230.311 2.599 30 20 BFED Cc1ccc(/C=C\C(=O)c2cnn(C)c2)c(C)c1 209233798 ONKPCRJNSBYWDB-SREVYHEPSA-N 240.306 2.933 30 20 BFED C[C@H]1CCN(Cc2cccc(C#N)c2F)C1 223528399 BCZPLGGTMMQUKO-JTQLQIEISA-N 218.275 2.539 30 20 BFED N#Cc1c(F)cccc1N[C@H]1CCCC[C@H]1CO 225270884 VRAFTIMNYKMBAR-GWCFXTLKSA-N 248.301 2.660 30 20 BFED N#Cc1ccnc(Nc2ccc(F)c(Cl)c2)n1 231896492 BLJDBRRHHRXECA-UHFFFAOYSA-N 248.648 2.884 30 20 BFED CN(CCC#N)CCCCC(C)(C)C#N 234271722 IKLLVDMXRAFFHE-UHFFFAOYSA-N 207.321 2.552 30 20 BFED CCCCCCCCCNC(=O)C(C)(C)CN 236633882 UWRTVBDDHZDBGK-UHFFFAOYSA-N 242.407 2.838 30 20 BFED Cc1ccoc1CN1CCC(CC#N)CC1 260035768 NJOLTHYUZGXTKL-UHFFFAOYSA-N 218.300 2.714 30 20 BFED C=CCC[C@@H](C)N[C@@H](CCCC)C(=O)O 263426503 QSAGVNGBTBVKRZ-MNOVXSKESA-N 213.321 2.574 30 20 BFED Cc1cc(C)cc(NC(=O)N(C)C[C@H](C)C#N)c1 263728054 ZGIGSYARKYGCAZ-GFCCVEGCSA-N 245.326 2.927 30 20 BFED Cc1ccc2oc(N3CCC(C#N)CC3)nc2c1 265161027 VZBJRIGLKXDSMM-UHFFFAOYSA-N 241.294 2.876 30 20 BFED C=C1CCN([C@H](C(=O)OC)c2ccccc2)CC1 265492085 WBOYQQYRPXAKMY-AWEZNQCLSA-N 245.322 2.553 30 20 BFED C=CCN(C(=O)c1sccc1OC)C1CC1 271335274 BOTLOFMBFINACV-UHFFFAOYSA-N 237.324 2.547 30 20 BFED C=CCC[C@@H](O)CN[C@@H](C)c1ccc(C#N)cc1 271688386 QTSHOFGSSVVZTR-SWLSCSKDSA-N 244.338 2.536 30 20 BFED C=CCOCCN[C@@H](C)c1ccc(F)cc1F 272473876 PUQNSSKNOBBISF-JTQLQIEISA-N 241.281 2.818 30 20 BFED C=CCCO[C@H](C)c1nc([C@H]2CCCO2)no1 274156165 NHTDVDYOKDPNRN-NXEZZACHSA-N 238.287 2.575 30 20 BFED C#CC(C)(C)N(C)Cc1ccc(OC)c(F)c1 279402912 ZTBZUNKSOFEWFS-UHFFFAOYSA-N 235.302 2.678 30 20 BFED Cc1oc(C#N)cc1C(=O)N[C@@H](C)CC(C)C 281285057 MGLVTIQKDJCVSW-VIFPVBQESA-N 234.299 2.624 30 20 BFED C=C1CCN(c2nnc([C@@H](C)CC)n2CC)CC1 284040617 PUKBFUFSLNULRF-LBPRGKRZSA-N 248.374 2.968 30 20 BFED C=CCN(c1nnc(C2CCC2)n1CC)C1CC1 291067683 SAXDJIFLDRRRFW-UHFFFAOYSA-N 246.358 2.720 30 20 BFED Cc1nc(N[C@@H]2CCC2(C)C)ccc1C#N 292071176 XDYWBRKWDVXMRP-LLVKDONJSA-N 215.300 2.862 30 20 BFED C=CCN(CCC#N)C(=O)CC[C@H](C)CC 292473245 PVKFRFAHTYSOFP-GFCCVEGCSA-N 222.332 2.741 30 20 BFED C=CCOCCN(CCC)Cc1ccccc1O 292825794 OJVWPNFOCKAWFY-UHFFFAOYSA-N 249.354 2.807 30 20 BFED CN(CCc1ccccc1)[C@H]1CC[C@H](C#N)C1 293464100 LIFVDYKBCXKNLZ-GJZGRUSLSA-N 228.339 2.853 30 20 BFED C#Cc1cccc(N(C)C(=O)C(C)(C)C=C)c1 294683270 UEOMSNDMNPLBGY-UHFFFAOYSA-N 227.307 2.843 30 20 BFED CC#CCCCC(=O)Nc1ccc2c(n1)CCC2 297290177 XDTCZCPDEJHBFZ-UHFFFAOYSA-N 242.322 2.702 30 20 BFED C#C[C@@H](NC(=O)c1ccc(CC)s1)C(C)C 300890685 JWHIQZMGOIWHKC-LLVKDONJSA-N 235.352 2.698 30 20 BFED CC(C)CN/C(N)=N/CCCCC(C)(C)C 303968227 ALESKPSHWXJKFZ-UHFFFAOYSA-N 227.396 2.763 30 20 BFED N#CCC1CCN(C/C(Cl)=C\Cl)CC1 306863702 JBWPEUDIGNEUDR-JXMROGBWSA-N 233.142 2.931 30 20 BFED CCON=Cc1sc(Cl)nc1Cl 308167257 VDIZRLNRBYVNOE-UHFFFAOYSA-N 225.100 2.820 30 20 BFED C=C[C@@H](C)N[C@@H](C)c1sccc1OC 308723568 FKVHZSONDKNCGB-BDAKNGLRSA-N 211.330 2.982 30 20 BFED N#Cc1ccc(N[C@H]2CC[C@@H](F)C2)cc1 308863412 CSVULYKRJYHNAM-PWSUYJOCSA-N 204.248 2.861 30 20 BFED CCn1c(C)cc(/C(O)=N/CC(C)(C)C#N)c1C 330830219 RRJDKDQPEKSYBW-UHFFFAOYSA-N 247.342 2.979 30 20 BFED C[C@@H]1C[C@@H]1c1noc(-c2cccc(CC#N)c2)n1 334141578 LATKXAXUUANEHJ-SKDRFNHKSA-N 239.278 2.926 30 20 BFED C[C@@H](C#N)C(=O)N1CCCCC[C@H]1c1ccco1 334508972 PLOIJCBNTADQTO-RYUDHWBXSA-N 246.310 2.883 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H]1C 335119250 XXWPNYJKQYWJIM-WDEREUQCSA-N 209.333 2.894 30 20 BFED CC1(C)CN(C(=O)NCCCC#N)[C@H]2CCC[C@@H]21 335151441 XRHQNIZCZLZZKJ-RYUDHWBXSA-N 249.358 2.510 30 20 BFED C[C@H](C#N)N(C)C(=O)CC1(C)CCCCC1 335376599 SNFTULPMDUTLQJ-LLVKDONJSA-N 222.332 2.717 30 20 BFED C=CCn1cccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 336094344 RWMMQRMSGGMALB-CHWSQXEVSA-N 246.354 2.792 30 20 BFED N#CCCN[C@H]1CCc2cc(F)c(F)c(F)c21 336216039 XCCKMXSGNRVTLV-VIFPVBQESA-N 240.228 2.594 30 20 BFED C=C[C@@H]1CCCCN1C(=O)[C@H]1CCCSC1 336562206 CONLRDJPLPUZJT-NWDGAFQWSA-N 239.384 2.697 30 20 BFED C=C[C@H](CO)N[C@@H](C)[C@@H](C)C1CCCCC1 336727519 BYEYTSLLIWTYAH-MBNYWOFBSA-N 225.376 2.728 30 20 BFED C=CCOCCN1CCC2(CCCC2)CC1 339000306 IPYYGEMOEWBHBR-UHFFFAOYSA-N 223.360 2.845 30 20 BFED C=CCNC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 339351670 CNCQTHZBDOWSIV-FRRDWIJNSA-N 236.359 2.831 30 20 BFED CC[C@@]1(C)CCCN(c2ccnc(C#N)c2)C1 342271821 YLXQSEPGANFPQL-AWEZNQCLSA-N 229.327 2.970 30 20 BFED CCN(CCNCC(C)(C)CCC#N)C(C)C 343913051 NCDIZNMUTYNMNH-UHFFFAOYSA-N 239.407 2.636 30 20 BFED CC(=O)c1ccc(C#N)c(NCC2(C)CC2)c1 347408969 FNNGFGJCMUVAMB-UHFFFAOYSA-N 228.295 2.973 30 20 BFED Cc1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1 351181550 IWMALUSUQNEOOV-NWDGAFQWSA-N 225.251 2.521 30 20 BFED C=C(CC)CN1CCCC[C@H]1c1nc(C)no1 353555944 PXWWKKMXCRCATI-LBPRGKRZSA-N 235.331 2.871 30 20 BFED N#Cc1cc(F)c(N2CCC[C@H](F)C2)c(F)c1 357691992 PXRKCGSHZCGJIL-VIFPVBQESA-N 240.228 2.775 30 20 BFED CCCCSCCC(=O)NCC(C)(C)C#N 359643789 ZQGVSVKIZZQUMD-UHFFFAOYSA-N 242.388 2.576 30 20 BFED C=C[C@@H](C)NC(=O)NCc1cccc(Cl)c1 362381253 WLFCMZSSINYMGS-SECBINFHSA-N 238.718 2.714 30 20 BFED CCCCN1CCC(C#N)(c2ccccn2)CC1 367068577 XVZXIIFZZMJHBP-UHFFFAOYSA-N 243.354 2.739 30 20 BFED C#CCC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C2)C1 376106193 GRBTVHFQGZUSOX-STQMWFEESA-N 233.355 2.685 30 20 BFED C#C[C@H](C)NC1CCC(CSC)CC1 385452632 JPVHNXWOWDUURU-UNXYVOJBSA-N 211.374 2.520 30 20 BFED C=C(C)CCNc1nccc(C#N)c1Cl 386727161 UIKCYCSLDVWSCD-UHFFFAOYSA-N 221.691 2.985 30 20 BFED C=CCC[C@H](CC)N[C@@H]1CCCC(F)(F)[C@H]1O 414299263 KJYSFNYXICVWFX-TUAOUCFPSA-N 247.329 2.870 30 20 BFED C=CCC[C@@H](NCc1nccn1C)c1ccco1 428232590 UZVLMSJEJGDFSO-GFCCVEGCSA-N 245.326 2.810 30 20 BFED C=CCC(C)(C)C(=O)N[C@H](C)c1cnn(C)c1C 431898852 AWXSWCDENRPSSC-SNVBAGLBSA-N 249.358 2.508 30 20 BFED N#CC[C@@H](O)CSc1ccc(F)c(Cl)c1 436477557 YSJANIFIEKDZIH-SSDOTTSWSA-N 245.706 2.846 30 20 BFED CC#CCCNC(=O)N[C@H]1CCC[C@H](C)CC1 443546986 CAMLZYCIYPTQHX-STQMWFEESA-N 236.359 2.668 30 20 BFED CCN(Cc1cccs1)C(=O)[C@]1(C#N)C[C@H]1C 448591391 XBADVJMYJIHYEG-MFKMUULPSA-N 248.351 2.646 30 20 BFED CC[C@H](CC#N)Nc1cccc(C#N)c1[N+](=O)[O-] 450443105 ZIWQLPOTDPUZBJ-SNVBAGLBSA-N 244.254 2.571 30 20 BFED C=CCOCCCN1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 452056196 VUORMCSWGGHJRC-FXUDXRNXSA-N 249.398 2.947 30 20 BFED C=C(CC)CNC(=O)N1C[C@H](C)C[C@H]1CC 455522553 MWKISCVGYWQWIG-VXGBXAGGSA-N 224.348 2.783 30 20 BFED C=C(C)CCNC(=O)Nc1ccc2c(n1)CCC2 455883515 DLRWVLSDJHCPJW-UHFFFAOYSA-N 245.326 2.658 30 20 BFED CCC[C@@H](C(=O)N[C@@H](C#N)C(C)C)C(C)C 463837729 UOWJBRLNXOUTDI-NEPJUHHUSA-N 224.348 2.723 30 20 BFED C=C[C@H]1CCCCN1C(=O)CC[C@@H]1CCCO1 488865511 VMWKGUDLEFRBAF-STQMWFEESA-N 237.343 2.513 30 20 BFED C#C[C@@H](CC)NC(=O)Nc1nc(C2CC2)cs1 491192823 SHWIEWMAJUGJBB-VIFPVBQESA-N 249.339 2.554 30 20 BFED C#CCN(C)Cc1ccccc1OC(C)C 491657102 INXAXFJXKRZWOG-UHFFFAOYSA-N 217.312 2.539 30 20 BFED C#C[C@H](C)N(C)C(=O)c1cccc(C(F)F)c1 491676826 XGTWPJBEJJRNII-VIFPVBQESA-N 237.249 2.718 30 20 BFED C#C[C@@H](C)N(C)C(=O)[C@@H](C)c1cccc(Cl)c1 491751334 XVPXXDMBZFEQGQ-MNOVXSKESA-N 249.741 2.924 30 20 BFED C=C(Cl)CNC(=O)/C=C\c1ccsc1 491844616 MEEQMPALGIJURX-IHWYPQMZSA-N 227.716 2.630 30 20 BFED C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccccn1 531870688 MYPTYTULLLCUSU-UKRRQHHQSA-N 246.354 2.546 30 20 BFED C=CCN(C)C(=O)COc1ccccc1C(C)C 548288294 UCEJJXLQWHXYLY-UHFFFAOYSA-N 247.338 2.833 30 20 BFED C=CCn1c(CC)nnc1N1CC[C@@H](C)[C@@H](C)C1 554622530 APRCPLNPVVHLAH-NEPJUHHUSA-N 248.374 2.509 30 20 BFED N#Cc1ncccc1SC[C@@H]1CCCC[C@@H]1O 565217176 RCLMQLCYNZMGPD-JQWIXIFHSA-N 248.351 2.596 30 20 BFED C=CCCCCCN[C@@H]1CCCC[C@@H]1CN 581736725 GKVFPCZOIJYXQZ-ZIAGYGMSSA-N 224.392 2.840 30 20 BFED N#Cc1ccc2[nH]c(=NC[C@H]3CC34CC4)ccc2c1 584711552 YSHAGJDGYJPTAU-CYBMUJFWSA-N 249.317 2.740 30 20 BFED O=C(/C=C\c1ccc(F)nc1)c1ccc(O)cc1 588523462 IIWFWKAZMXANOO-XFSBKJJWSA-N 243.237 2.822 30 20 BFED CC1(C#N)CN(CCCCC(F)(F)F)C1 589159762 QVIFGZSTXOHLSL-UHFFFAOYSA-N 220.238 2.564 30 20 BFED C[C@H]1C[C@]1(C#N)C(=O)Nc1cccc2cc[nH]c12 590740666 KUGQCHIBPJXDFS-LKFCYVNXSA-N 239.278 2.656 30 20 BFED CC[C@@H](C#N)N(C)C(=O)CCCc1ccccc1 594088711 NQODMKMQHAANFK-AWEZNQCLSA-N 244.338 2.770 30 20 BFED CC[C@@H](C#N)N(C)C(=O)[C@H](C)c1cccc(F)c1 594089441 OTXFCFPNDDLRRM-MFKMUULPSA-N 248.301 2.690 30 20 BFED N#CCCCCc1nc(CCC2CC2)no1 594531125 XYKQXDOTMIHCGU-UHFFFAOYSA-N 219.288 2.649 30 20 BFED C=CCCSCCN[C@@H](C)c1cc(C)on1 595059829 PMSUHOFWBJZISA-NSHDSACASA-N 240.372 2.943 30 20 BFED Cc1cccc(C)c1[C@H]1CCCN1CC#N 595601737 RNLSDQLZYUJLKB-CYBMUJFWSA-N 214.312 2.964 30 20 BFED Cc1cc(CN(C2CC2)[C@@H](C)C#N)ccc1C#N 595709108 DCXRCFZOWZMFLL-LBPRGKRZSA-N 239.322 2.743 30 20 BFED CC1(C)C[C@]1(C)NC(=O)c1sccc1C#N 598387182 RXQRTCVLSVKHIP-LBPRGKRZSA-N 234.324 2.538 30 20 BFED CCN(C(=O)c1sccc1C1CC1)[C@H](C)C#N 598883464 VQXGQZSIKBUBNB-SECBINFHSA-N 248.351 3.000 30 20 BFED COCc1cccc(CNC[C@H](C)CCC#N)c1 602514059 KWZVOZMCFZVTFV-CYBMUJFWSA-N 246.354 2.862 30 20 BFED CCc1cnccc1[C@H](C)NCC1(CC#N)CC1 602804755 JOGKJIPCTPDTBV-LBPRGKRZSA-N 243.354 2.988 30 20 BFED CO[C@@H]1C[C@H](N(C)CC2(CC#N)CC2)C12CCC2 602842681 ZWJTZDLZIBHZRK-QWHCGFSZSA-N 248.370 2.570 30 20 BFED CCC[C@H](C)NC(=O)N1CCC(CC#N)CC1 611619137 ZOTFKFYUTWTLAW-NSHDSACASA-N 237.347 2.510 30 20 BFED CC(C)CCC(=O)N1CCC[C@](C)(C#N)C1 612252296 WCSCMGDWSCNLOD-CYBMUJFWSA-N 222.332 2.575 30 20 BFED Cc1ccnc(COc2ccc(C#N)c(F)c2)c1 616212904 BYONUWZIBMHRNS-UHFFFAOYSA-N 242.253 2.980 30 20 BFED CC(C)=C[C@H]1[C@H](C(=O)N2CC(C)(C#N)C2)C1(C)C 619510490 MTQKMVGHGVMXGA-NWDGAFQWSA-N 246.354 2.597 30 20 BFED C=CCCOCC(=O)Nc1ccc(CC)cc1 620161683 QUDIMRWBJNFYSI-UHFFFAOYSA-N 233.311 2.780 30 20 BFED C=CCC1(C(=O)NCC2CC=CC2)CCC1 628542476 MMLANUSQRKVOCE-UHFFFAOYSA-N 219.328 2.815 30 20 BFED C=C[C@H](C)NC(=O)NC1(Cc2ccccc2)CC1 641843005 IMPDBKDHSRKYCY-LBPRGKRZSA-N 244.338 2.635 30 20 BFED C=CCCCN1CCC[C@H](OC2CCC2)C1 653814551 OOSTWEVJCMQMKJ-AWEZNQCLSA-N 223.360 2.986 30 20 BFED CC#CCNc1cccc(F)c1SC 656658198 JIHIHTPMTJXLDE-UHFFFAOYSA-N 209.289 2.983 30 20 BFED C=CCCCCNCc1ccnn1CC1CC1 657436774 CGNDQWOUHOOTRC-UHFFFAOYSA-N 233.359 2.739 30 20 BFED C=CC(C)(C)CNCc1nccn1C(C)C 657481271 MFVZRLZSSJZEJY-UHFFFAOYSA-N 221.348 2.766 30 20 BFED C=CCCNC1CCC2(CCCO2)CC1 658114172 MMXCRUQAPQSRTI-UHFFFAOYSA-N 209.333 2.644 30 20 BFED C=CC[C@H]1CCCN(C(=O)NCC(=C)C)C1 661044387 GYEHLYYHUQHMKS-LBPRGKRZSA-N 222.332 2.560 30 20 BFED C=CCC1(N[C@@H]2CC[C@@H]2CC)CCOCC1 668551297 JPFMYOGSBGXCSV-QWHCGFSZSA-N 223.360 2.890 30 20 BFED Cc1c(C(=O)NO)sc2ccc(Cl)cc12 671996709 SSTWEXPOWIVVQO-UHFFFAOYSA-N 241.699 2.982 30 20 BFED C=CCC[C@H](NCc1cc(C)ncn1)C1CC1 678604573 JSQSIAOEUSRRCB-AWEZNQCLSA-N 231.343 2.619 30 20 BFED C=C[C@H](C)NC(=O)N1C[C@@H](C)CC(C)(C)C1 680096073 FZXCUHLYIBPCFP-QWRGUYRKSA-N 224.348 2.639 30 20 BFED C=C[C@H]1CCCCN1C(=O)NCCCC 683732137 OGBGWJPPUQARPL-NSHDSACASA-N 210.321 2.537 30 20 BFED C=CC[C@H](C)N1C[C@@H](CN)Cc2ccccc21 714996232 OVIALUGPIZPUSQ-QWHCGFSZSA-N 230.355 2.589 30 20 BFED CC[C@@H](CC#N)NCc1cnc(Cl)s1 718808214 SWIHCMQRGMUCQQ-ZETCQYMHSA-N 229.736 2.578 30 20 BFED C=C[C@@H](C)NCc1ccc2c(c1)C[C@@H](C)O2 720777611 ILXJNADNUDNXQE-GHMZBOCLSA-N 217.312 2.674 30 20 BFED N#CC1(C(=O)N[C@H]2CC23CCC3)CCCCC1 721272664 OBAVTMBRWQGSPT-NSHDSACASA-N 232.327 2.519 30 20 BFED C[Si](C)(C)COC(=O)Cc1ccc(C#N)cc1 740958219 VSJSAXPIELRZIZ-UHFFFAOYSA-N 247.370 2.521 30 20 BFED C#CCN(CC#CC)C(=O)CCC1CCCCC1 742003895 MELXOGAKSDQGSI-UHFFFAOYSA-N 245.366 2.832 30 20 BFED CC#CCOC(=O)c1cccc(OCC(C)C)c1 744554087 LNWNZIJQUPNKSF-UHFFFAOYSA-N 246.306 2.902 30 20 BFED CC#CCOC(=O)C[C@H]1CCCC[C@H]1C 744866891 ICRCLBMDMCEWOT-VXGBXAGGSA-N 208.301 2.769 30 20 BFED C#CCOc1cccc(OCc2nccs2)c1 746557962 BZOLTKKFXDKINF-UHFFFAOYSA-N 245.303 2.734 30 20 BFED C=CCCCC(=O)OCc1nnc(C(C)C)o1 748227680 UHSUNGREWARNPN-UHFFFAOYSA-N 238.287 2.593 30 20 BFED C=CCCC(CC)=NNc1oc(C)nc1C#N 750935836 HOROHVTZTZVCSX-UHFFFAOYSA-N 232.287 2.999 30 20 BFED C#CC(=O)N[C@@H](C)c1ccccc1C(F)(F)F 753958224 IRUFFWYCLXSXCO-QMMMGPOBSA-N 241.212 2.516 30 20 BFED CC#CCCOC(=O)c1cncc2ccccc12 760282730 CDCLAXMYQGTIKD-UHFFFAOYSA-N 239.274 2.805 30 20 BFED C=CC[C@@H](C)NC(=O)c1nc(Cl)sc1C 762871513 RSSPNMYOLTYTQE-ZCFIWIBFSA-N 244.747 2.799 30 20 BFED CC(=NNCC(F)F)c1ccc(O)c(Cl)c1 768776519 PLOLNWVTFOWXCR-UHFFFAOYSA-N 248.660 2.624 30 20 BFED CC(=NNc1c(C)cccc1F)[C@H]1CCOC1 769839714 GCVKZGUZLXYIGE-NSHDSACASA-N 236.290 2.958 30 20 BFED c1ccc(NN=C2CCCOCC2)cc1 770587203 CKFCXYBYBUZUJA-UHFFFAOYSA-N 204.273 2.655 30 20 BFED C/C(=C\C(=O)OCC1(C#N)CC1)C(C)(C)C 775861040 CMAHHUYTBGMMRY-JXMROGBWSA-N 221.300 2.826 30 20 BFED CC(=NNCCOC(C)C)c1ccccc1C 778550738 PHEQVCQPYHEPPX-UHFFFAOYSA-N 234.343 2.734 30 20 BFED CC(=NN=c1cc[nH]cc1)c1ccc(F)c(F)c1 779812646 WCNFXJUIBAUPSC-UHFFFAOYSA-N 247.248 2.618 30 20 BFED CCC(=NN[C@@H]1CCCOC1)c1ccccc1 780257689 KOUBMHWPHYPHRE-CYBMUJFWSA-N 232.327 2.569 30 20 BFED CC(=NN[C@H]1CCCOC1)C1C(C)(C)C1(C)C 780261087 FVVIFSHHGUIMIZ-NSHDSACASA-N 238.375 2.813 30 20 BFED CC(C)CCCCCCNC(=O)NCCC#N 787371423 DDAICIVHALGXEU-UHFFFAOYSA-N 239.363 2.806 30 20 BFED C#CCC1(C(=O)NCC2(C)CC2)CCCCC1 788226778 DKDBUBQGLYKVKX-UHFFFAOYSA-N 233.355 2.877 30 20 BFED C#CCC1(C(=O)N2CCC[C@H]2C)CCCCC1 788229267 QOSLMCGJCFGRKB-CYBMUJFWSA-N 233.355 2.971 30 20 BFED CC[C@@H](C)NN=CC1=Cc2ccccc2OC1 790189597 KDJRLDGGULPZCP-LLVKDONJSA-N 230.311 2.836 30 20 BFED C#C[C@@H](CCC)NC(=O)[C@H](C)SCCCC 791197715 RMISLKGDDOSLPZ-RYUDHWBXSA-N 241.400 2.826 30 20 BFED COc1nccnc1NN=C1CCC2(CC1)CC2 792641857 JRXCAJOZILRJBI-UHFFFAOYSA-N 246.314 2.607 30 20 BFED Oc1c(F)cccc1C=NNc1ncccc1F 794982998 DRYHEFNNSQRSGQ-UHFFFAOYSA-N 249.220 2.511 30 20 BFED CCSCCC=NNc1ncccc1F 794990792 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2.963 30 20 BFED C=CCNC(=O)N(C)Cc1cc2ccccc2o1 175151657 IHTVVBSJNMWIPR-UHFFFAOYSA-N 244.294 2.760 30 20 BFED CC1(NC(=O)C#Cc2ccccc2)CCCCC1 176094049 FZSGAWKRLKPENC-UHFFFAOYSA-N 241.334 2.877 30 20 BFED CC[C@@H](SC)C(=O)N(CC#N)c1ccccc1 178566298 QBTSHVWZDPSVHI-GFCCVEGCSA-N 248.351 2.685 30 20 BFED C[C@@H](NCCCC#N)c1cccc([N+](=O)[O-])c1 180452756 PVOJOBSJAVTYOC-SNVBAGLBSA-N 233.271 2.549 30 20 BFED C#C[C@@H](C)NC(=O)[C@@H](CCC)c1ccccc1 186033789 LFPBZQSMFBMVKV-OCCSQVGLSA-N 229.323 2.708 30 20 BFED C=CCN(CC=C)C(=O)C[C@@H]1C=CCCC1 186442560 YLHMOXVPOHKVOW-CYBMUJFWSA-N 219.328 2.933 30 20 BFED CCOC(=O)CS[C@H](C)c1cccc(C#N)c1 189774654 XUAKSGRCNQAAJZ-SNVBAGLBSA-N 249.335 2.916 30 20 BFED C[C@@H]1CCC[C@@H](NCc2cc(C#N)n(C)c2)CC1 191622500 NVBSBMNZRIUAGH-TZMCWYRMSA-N 245.370 2.955 30 20 BFED C=CCOC(=O)/C=C(\C)c1ccccc1 194204881 KUOZRNDEDMWIGH-ZHACJKMWSA-N 202.253 2.819 30 20 BFED C=CCCCOc1ccccc1CCO 227836064 ONZMOLYPZDOCDG-UHFFFAOYSA-N 206.285 2.566 30 20 BFED C#C[C@@H](CC)NC(=O)Nc1cccc(Cl)c1 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220.247 2.767 30 20 BFED C#CCN(C)C(=O)N[C@H](c1ccccc1)C(C)C 292609467 WOFYUVUAJLGHDZ-AWEZNQCLSA-N 244.338 2.658 30 20 BFED C=CCC(C)(C)CNCc1c(C)n[nH]c1C 293017389 QLTRVYQSTOMVLL-UHFFFAOYSA-N 221.348 2.718 30 20 BFED C=CCC(C)(C)CNC(=O)c1cccnc1C 293687986 BTMROLZTEOMLTI-UHFFFAOYSA-N 232.327 2.722 30 20 BFED CC(C)(C)CNC(=O)/C=C/c1cccc(C#N)c1 299127486 IYVSORQBGHFETF-BQYQJAHWSA-N 242.322 2.734 30 20 BFED C=C[C@H](Sc1ccccc1OC)C(=O)OC 300925748 CNTPLXOCPZJSHO-JTQLQIEISA-N 238.308 2.515 30 20 BFED C[C@@H]1CCC[C@H](CNCC2(C#N)CC2)C1 309162724 ZSCNNEOMTKKTJK-NEPJUHHUSA-N 206.333 2.706 30 20 BFED C=CCSc1nc2ccc(C(=O)O)cc2o1 309170114 NHBIYMSQTDNFGJ-UHFFFAOYSA-N 235.264 2.804 30 20 BFED N#CCN[C@H](c1ccc(F)cc1)C(F)(F)F 309548091 DZPMOPKGHGBRNQ-SECBINFHSA-N 232.180 2.542 30 20 BFED C=C(CC)CNC(=O)c1ccc(OC)cc1F 313487511 DVSOZERLEVUYOJ-UHFFFAOYSA-N 237.274 2.530 30 20 BFED C=CCC[C@H](CO)N[C@@H](C)CC(C)(C)C 321432861 LWBSJPHBAQUEDF-NWDGAFQWSA-N 213.365 2.728 30 20 BFED Cn1cnnc1N=C(O)C(C1CCC1)C1CCC1 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2.619 30 20 BFED CCC1(CC)CN(C(=O)c2ccc(C#N)s2)C1 335977261 GHSNFLQHNYUPFE-UHFFFAOYSA-N 248.351 2.882 30 20 BFED CCc1cccc(NC(=O)[C@]2(C#N)C[C@@H]2C)c1 336235831 OMOBVSFBBAAXEQ-HZMBPMFUSA-N 228.295 2.737 30 20 BFED C=CCCCCN[C@@H]1C[C@@H](C)N(C2CC2)C1 336675176 VDPSDSAICYJBPN-CHWSQXEVSA-N 222.376 2.558 30 20 BFED C=CCC[C@@H](CC)NC[C@@H](OC)C(C)C 336739860 SVMMAJDWNYMFOJ-CHWSQXEVSA-N 213.365 2.992 30 20 BFED C=CC[C@H](CC)NC(=O)[C@H](OC)[C@H](C)CC 337103460 YBVHCWVWHGBHRL-GRYCIOLGSA-N 227.348 2.518 30 20 BFED C=CCOCCN(C)CCOc1ccccc1C 338879515 FIIZUVSXHKWFTK-UHFFFAOYSA-N 249.354 2.508 30 20 BFED Cc1oc(C#N)cc1-c1nc(-c2ccco2)no1 340662634 QLDUYIATDQQWSZ-UHFFFAOYSA-N 241.206 2.770 30 20 BFED CCN(CCC#N)[C@@H](C)Cc1ccsc1 340907445 DLYAXIJLKOXDMP-NSHDSACASA-N 222.357 2.915 30 20 BFED N#CC1(N(C(=O)CCC2CC2)C2CC2)CCC1 341602178 LTRYHOFXMIGMRS-UHFFFAOYSA-N 232.327 2.614 30 20 BFED C=CCCCCNC(=O)C1(OCC)CCCC1 341688967 XGAWSJUDHGFQIV-UHFFFAOYSA-N 239.359 2.808 30 20 BFED C=CCCN(C)C(=O)c1ccc2ncsc2c1 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242.322 2.611 30 20 BFED C=C(CC)CN1CCC[C@](C)(OC)CC1 361422956 RDXQLWQWDGXQJA-ZDUSSCGKSA-N 211.349 2.844 30 20 BFED C=C[C@@H](C)NC(=O)c1coc(-c2ccccc2)n1 362587035 JTAVWZZLHPZAPP-SNVBAGLBSA-N 242.278 2.646 30 20 BFED C=C[C@H](C)NC(=O)[C@H](CC)Oc1cccc(C)c1 362592399 NUVWUVJEKXHISK-JSGCOSHPSA-N 247.338 2.843 30 20 BFED CC(C)CSCCCN[C@@H](C)CC#N 379578098 SOMOZFPZCFFRIX-NSHDSACASA-N 214.378 2.657 30 20 BFED C=CCCCCNc1cccnc1[N+](=O)[O-] 390667969 SBWLUZVHZGKUDP-UHFFFAOYSA-N 221.260 2.758 30 20 BFED COCCN(CCC#N)CCC1=CCCCC1 395319850 LFVKCRNLUCQUKA-UHFFFAOYSA-N 236.359 2.739 30 20 BFED C=CCCC[C@@H](C)Nc1ncc(C(=O)O)s1 398147125 DMOPPAGNQJLEDE-MRVPVSSYSA-N 240.328 2.998 30 20 BFED C=CCN(CCOC)[C@@H]1C[C@H]1c1cccc(F)c1 411625159 KPPWNCKPUMSOJH-LSDHHAIUSA-N 249.329 2.816 30 20 BFED C=CCC(C)(C)C(=O)NC[C@@H]1C[C@H](C)O[C@H]1C 412652587 MFYDEEDMHCFUIF-SRVKXCTJSA-N 239.359 2.518 30 20 BFED C=CCC[C@H](NCc1cnc(C)o1)C1CC1 414187137 QEYBWYVXFRYNIJ-ZDUSSCGKSA-N 220.316 2.817 30 20 BFED 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BFED C=C[C@H](SC(CC)CC)C(=O)OC 308495450 TUXJVCRKBKXGGV-VIFPVBQESA-N 202.319 2.636 30 20 BFED CC(C)SCCN[C@H]1CCC[C@H](C#N)C1 308827686 FDISAYBHFRZPHJ-RYUDHWBXSA-N 226.389 2.800 30 20 BFED C=CCCCCC[C@H](C)NCC(C)(C)O 309019916 WLCGBNVUVOBGNL-LBPRGKRZSA-N 213.365 2.872 30 20 BFED CC[C@H](C#N)/N=C(/O)c1cc[nH]c1C(C)C 330594178 QGICINSCLKKUDV-SECBINFHSA-N 219.288 2.745 30 20 BFED Cc1cncc(CN2CCC(CC#N)CC2)c1 334607445 KIBRRWZVQFNHBH-UHFFFAOYSA-N 229.327 2.516 30 20 BFED C[C@H]1CC[C@@H](C)N(CC2(C#N)CCC2)C1 334646107 GNRDMRPMEFYOTO-NWDGAFQWSA-N 206.333 2.801 30 20 BFED CC1(CC(=O)N2CCc3cc(C#N)ccc32)CC1 335270787 SRRRHUKHVJGNAC-UHFFFAOYSA-N 240.306 2.638 30 20 BFED C=C[C@@H]1CCCCN1Cc1cncs1 335400014 JHHGSZCNXFNIHA-SNVBAGLBSA-N 208.330 2.684 30 20 BFED C[C@@H]1CCCC[C@H]1C(=O)N1CCC(C#N)CC1 335495285 LEJTUQYKDGCXER-DGCLKSJQSA-N 234.343 2.575 30 20 BFED N#C[C@@H]1CC[C@@H](NC2CC(C(F)(F)F)C2)C1 335622096 WSGVBIXSUZIVPC-PRWFHZCQSA-N 232.249 2.609 30 20 BFED N#Cc1cccnc1NC1CCC(F)(F)CC1 335978074 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2.549 30 20 BFED C=CC[C@@H](CC)NC(=O)N[C@@H]1CC12CCC2 872997176 IQGIZMFWVZMSIK-GHMZBOCLSA-N 222.332 2.583 30 20 BFED C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC12CCC2 876422949 LIJDLBBZHLLOMH-VXGBXAGGSA-N 234.343 2.679 30 20 BFED C=CC(C)(C)CC(=O)NCCOCCCC 878487423 WMIPMIKGXNAGHQ-UHFFFAOYSA-N 227.348 2.522 30 20 BFED C#C[C@](C)(CC)NC(=O)Nc1ccc(C)nc1C 878908545 OQJQGXYXOLBYCW-CQSZACIVSA-N 245.326 2.622 30 20 BFED C=CC(C)(C)CC(=O)N1C[C@H](C)S[C@@H](C)C1 878996834 OONUBJBZLIKNBN-QWRGUYRKSA-N 241.400 2.941 30 20 BFED CSCC[C@@H](C)N(C)c1cc(C)cc(C#N)n1 892762957 MFOHPROLLXPZHP-LLVKDONJSA-N 249.383 2.840 30 20 BFED C=CC1(OC(=O)[C@H]2CCC(F)(F)C2)CC1 893358828 MWVROXFYWXKZHX-QMMMGPOBSA-N 216.227 2.684 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1cccc(C(=O)O)c1 899536466 IZVSTTPNYZBAQG-JTQLQIEISA-N 247.294 2.926 30 20 BFED C(=NOC1CCC1)c1cnn(CC2CCC2)c1 901246983 WEKNQZJHMUWMKI-UHFFFAOYSA-N 233.315 2.586 30 20 BFED C=CCC[C@H](NCc1c(C)cccc1C)C(=O)O 901689391 ABYMCZZGDFVODD-AWEZNQCLSA-N 247.338 2.812 30 20 BFED CC[C@@H](NC[C@](C)(O)CC)c1cccc(C#N)c1 902796020 KZYVIAAUOCZBIK-HUUCEWRRSA-N 246.354 2.760 30 20 BFED C=CCS(=O)(=O)Cc1ccc(C)cc1Cl 906028086 RPTAVBDDZOAUSB-UHFFFAOYSA-N 244.743 2.749 30 20 BFED C=CC(C)(C)CC(=O)N[C@@H](C)c1c(C)n[nH]c1C 910089589 FHTWMLFYRKIDQC-VIFPVBQESA-N 249.358 2.806 30 20 BFED Cc1ccc2cc(C(=O)OCCCC#N)[nH]c2c1 913203748 MIBAAIONXUTGIO-UHFFFAOYSA-N 242.278 2.937 30 20 BFED CCCNN=Cc1c(O)ccc2ccccc12 915965191 JMIXWGATZUCNTN-UHFFFAOYSA-N 228.295 2.879 30 20 BFED C=C(C)CNc1ccc(-n2cccn2)c(F)c1 917825475 PSAAGGQOWURRHJ-UHFFFAOYSA-N 231.274 2.999 30 20 BFED C#CCN(CC)C(=O)c1sccc1C(C)C 920015169 QWVHYVIZFQMHDK-UHFFFAOYSA-N 235.352 2.967 30 20 BFED C[C@H]1CCC(C)(C)N1C(=O)NCC(C)(C)C#N 921888380 RGTJSUZJWSTMNX-JTQLQIEISA-N 237.347 2.509 30 20 BFED C#CCN(C(=O)c1ccc(C(C)C)cn1)C(C)C 928624940 KIXBNNHPYADCAT-UHFFFAOYSA-N 244.338 2.689 30 20 BFED C=C[C@H](CC)CC(=O)Nc1n[nH]c(C)c1C 931815958 QROGULKDFQOTGX-SNVBAGLBSA-N 221.304 2.567 30 20 BFED C=CCOCCOC(=O)CC(C1CC1)C1CC1 1117741137 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225.332 2.528 30 20 BFED Cc1ccoc1C(=O)Oc1ccc(C#N)cc1 25318404 VFKUKVBDUJDYIM-UHFFFAOYSA-N 227.219 2.679 30 20 BFED CCCC(=O)N[C@H](C)c1ccc(C#N)cc1 26135980 ILJUMCXWKITQAC-SNVBAGLBSA-N 216.284 2.536 30 20 BFED CC[C@@H](C)N(CC)C[C@H](O)c1ccc(C#N)cc1 34674652 KHZQTGJIHYQAKZ-DOMZBBRYSA-N 246.354 2.712 30 20 BFED Cc1noc(C)c1CNc1cccc(F)c1C#N 36138936 QVRGRVMOWMMZMV-UHFFFAOYSA-N 245.257 2.914 30 20 BFED C[C@@H](NCc1ccccn1)c1cccc(C#N)c1 37213595 UPXIMJUYZQMBKR-GFCCVEGCSA-N 237.306 2.804 30 20 BFED CCN(C[C@H](C)C#N)C(=O)CCc1ccccc1 42296004 NINJAZXQUZLRHN-CYBMUJFWSA-N 244.338 2.627 30 20 BFED CC[C@@H](C)[C@@H](C(=O)N(C)CC#N)c1ccccc1 45049154 HMBNWCVYYNXHOU-TZMCWYRMSA-N 244.338 2.798 30 20 BFED N#CCCCCNCc1cccc(F)c1 49578386 XTPBVCNKJQMJOU-UHFFFAOYSA-N 206.264 2.609 30 20 BFED CCCCC(=O)Nc1ccc(F)c(C#N)c1 51637429 PBZPHQABZDIONI-UHFFFAOYSA-N 220.247 2.826 30 20 BFED CCCCCCCC(=O)NC[C@@H]1CCCCN1 59082320 JENFXOOIKBWTMG-ZDUSSCGKSA-N 240.391 2.605 30 20 BFED C=C(C)CN(CC)CC(=O)NCCCCCC 61758771 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BFED C[C@@H](CC#N)NC(=O)C(C)(C)Cc1ccccc1 117773050 CIZYDVDDIXFIQA-LBPRGKRZSA-N 244.338 2.674 30 20 BFED CC[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCO1 118392493 GZGYCDYGHLTUGR-WFASDCNBSA-N 244.338 2.730 30 20 BFED C=C[C@@H](C)NCc1cc2c(cc1OC)C[C@H](C)O2 123186257 MVNBLKNUSHYVHK-MNOVXSKESA-N 247.338 2.683 30 20 BFED C=C(C)COCCN[C@H]1CCc2ccc(F)cc21 125666159 FSNKCIGTRHIHKP-HNNXBMFYSA-N 249.329 2.995 30 20 BFED C#CCCCCNc1cc(Cl)nc(C)n1 130498795 RJLOVIRFJROFMG-UHFFFAOYSA-N 223.707 2.654 30 20 BFED C[C@@H](C#N)SCc1ccc([N+](=O)[O-])cc1 131164030 BSZFKFAPXJOTMH-QMMMGPOBSA-N 222.269 2.740 30 20 BFED C=CCCC[C@H](C)NCc1ccc(CO)o1 133586345 JDGFZCPKQWKENA-NSHDSACASA-N 223.316 2.606 30 20 BFED C#C[C@@H](C)NCc1cccc(C(F)(F)F)c1 135160813 HYSKABSBZPKNGC-SECBINFHSA-N 227.229 2.817 30 20 BFED C[C@@H]1C[C@@H](C)N(Cc2ccc(C#N)cc2)C1 135478331 BJVQLPMPJWVRIZ-VXGBXAGGSA-N 214.312 2.789 30 20 BFED C[C@@H](NCc1ccc(C#N)s1)c1ccccn1 135667092 GEJGCPYTCNMFIB-SNVBAGLBSA-N 243.335 2.866 30 20 BFED C=CCCS[C@@H](C)C(=O)NCCCC 151983950 ZGPYGEHEOZDBHW-JTQLQIEISA-N 215.362 2.601 30 20 BFED C=CCN(C)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 154248636 ONJMHPSSLZPDMK-QWHCGFSZSA-N 248.301 2.509 30 20 BFED C=CCN(C)Cn1ccc(-c2ccccc2)n1 155009486 JUMXBIABZNIRMD-UHFFFAOYSA-N 227.311 2.625 30 20 BFED C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 156305739 ZMMUWYFFIYNNIO-JQWIXIFHSA-N 245.326 2.537 30 20 BFED C=C(C)CNC(=O)CCc1ccc2[nH]ccc2c1 161265184 KORGQATVMFSPPL-UHFFFAOYSA-N 242.322 2.793 30 20 BFED C=CCN(C)C(=O)[C@H](CC)Oc1cccc(C)c1 161870547 MOWGWCOWBLAKGD-AWEZNQCLSA-N 247.338 2.797 30 20 BFED C=CCCN[C@H](C)c1cccc([N+](=O)[O-])c1 162201013 IPDYXCLKENIDHF-SNVBAGLBSA-N 220.272 2.822 30 20 BFED C=CC[C@H](C)NCc1ccn(-c2ccccc2)n1 163661648 ZLHYBDWJRRTGJB-ZDUSSCGKSA-N 241.338 2.927 30 20 BFED C[C@@H](C[C@@H](C)O)Nc1ccc(C#N)c(Cl)c1 164888475 TYQSXAPOJUJTAW-DTWKUNHWSA-N 238.718 2.783 30 20 BFED CCOC1CC(Nc2cccc(C#N)c2)C1 169167313 HBELWVLXFFSWST-UHFFFAOYSA-N 216.284 2.538 30 20 BFED C[C@H]1CCC[C@H](C(=O)NCCCCC#N)C1 172833098 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BFED CC[C@@H](C)CC(=O)Nc1nn(C(C)C)cc1C#N 191915078 OOQZYHJVRUPMLA-SNVBAGLBSA-N 248.330 2.710 30 20 BFED C#CCCCC(=O)Nc1cc(C)ccc1F 192045167 FOCXJBDUGQNZJV-UHFFFAOYSA-N 219.259 2.876 30 20 BFED C=CCCC(=O)N(c1ccccc1)[C@@H]1CCOC1 192060198 IKDMULRMCQBIFR-CQSZACIVSA-N 245.322 2.775 30 20 BFED C#CCCCC(=O)N[C@H]1CCc2cc(F)ccc21 192088551 FCDUGNQXWKYXJY-AWEZNQCLSA-N 245.297 2.733 30 20 BFED C#CCCCC(=O)N[C@@H]1CCCc2occc21 192300058 GUCLNDPRGLSEDG-GFCCVEGCSA-N 231.295 2.577 30 20 BFED Cc1csc(C(=O)N(C)CCC#N)c1Cl 234295509 FVOSKHJBKAIRDX-UHFFFAOYSA-N 242.731 2.696 30 20 BFED CCOc1cccc(CNCCCCC#N)c1O 236882478 SSQSHESRXKKPQA-UHFFFAOYSA-N 248.326 2.574 30 20 BFED C=CC[C@@H](C)NC(=O)NC[C@@H]1C[C@H]2CC[C@H]1C2 247013764 HGJUNCZAMJHEGR-VOAKCMCISA-N 236.359 2.686 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@@H](C)[C@H]1CCOC1 252714972 UFZPCHYNFOJLQA-CYDGBPFRSA-N 211.349 2.602 30 20 BFED CON=C/C=C1\N(C)c2ccccc2C1(C)C 254732957 NIHODXQKPNJYLZ-TVSRFXDQSA-N 230.311 2.930 30 20 BFED Cc1ccc(/C=C\C(=O)c2cnccn2)cc1C 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243.241 2.586 30 20 BFED C#CCCCCN[C@H](C)CC(C)(C)CC(=O)O 1588446382 JFMGHFKZMMWPJS-GFCCVEGCSA-N 239.359 2.659 30 20 BFED C#CCCNc1ccc(F)c(C(=O)O)c1Cl 1588453734 QKXLPQYHELHXEV-UHFFFAOYSA-N 241.649 2.613 30 20 BFED C=CC[C@H](SCC1CCCC1)C(=O)O 1588758292 FHRKGRRTFKENDK-JTQLQIEISA-N 214.330 2.939 30 20 BFED Cc1ccc(C(=O)O)cc1OCC1(C#N)CCC1 1600361518 YDAWQXLIIOTUIA-UHFFFAOYSA-N 245.278 2.766 30 20 BFED C[C@H]1C[C@@H]1C=NNc1cccc(C(=O)O)c1F 1604684415 XJXIKSNAFXDSOH-JGVFFNPUSA-N 236.246 2.578 30 20 BFED O=C(O)CNN=C1CCCCCCCCC1 1776078778 QNDLSURMWNPSCJ-UHFFFAOYSA-N 226.320 2.541 30 20 BFED C=C(Cl)CN(CC)c1cccc(C(=O)O)c1 1776143637 IBXNIPYSCHEELU-UHFFFAOYSA-N 239.702 2.964 30 20 BFED C=CCCN1CC(C)(C)CC[C@H]1CC(=O)O 1776174708 WHGRAVHTYLTIRT-NSHDSACASA-N 225.332 2.528 30 20 BFED CCN(Cc1cccc(C#N)c1)C1CC1 37023601 PZLFDBRIWZNLOE-UHFFFAOYSA-N 200.285 2.543 30 20 BFED C=C(Br)CNCc1ccc(C)cc1 37681122 JEOWOYDHMHPGEY-UHFFFAOYSA-N 240.144 2.993 30 20 BFED Cc1cc(NC(=O)c2ccc(C#N)cc2)sn1 44453955 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N#Cc1cccc(Nc2nccs2)c1 82714950 XAUYTCIBNITNHZ-UHFFFAOYSA-N 201.254 2.758 30 20 BFED CCC(CC)n1ccc(CN(C)[C@@H](C)CC#N)n1 85175155 ZDEQRFOGKXSXEP-LBPRGKRZSA-N 248.374 2.978 30 20 BFED C[C@@H](NCc1cc(C#N)cs1)C1CC1 86500152 AFIMFYOZBLYXKA-MRVPVSSYSA-N 206.314 2.508 30 20 BFED C=CCOc1ccccc1CN(CC#N)CCC 92398265 KEOKYWBIWYDWSM-UHFFFAOYSA-N 244.338 2.987 30 20 BFED C=CCS[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C 114757310 DNMSAIRLKOVVPA-UTUOFQBUSA-N 241.400 2.989 30 20 BFED CC#CCN(C1CC1)[C@@H](C)c1ccco1 119250479 VIWHGLLDVWKSMB-NSHDSACASA-N 203.285 2.828 30 20 BFED CC[C@H]1CN(CCC(C)(C)C#N)CCS1 119699542 ROENJZXSDXHVPE-NSHDSACASA-N 226.389 2.754 30 20 BFED C#CCCCCC(=O)N1CCS[C@H](C)[C@@H]1C 120167136 MIFHVEWYVUFLMW-NWDGAFQWSA-N 239.384 2.532 30 20 BFED CC(C)(CCC#N)CNCCc1cccnc1 123180201 ASONFAHIAMUCMB-UHFFFAOYSA-N 231.343 2.544 30 20 BFED CCCCCCCN1CC[C@H](N)[C@H](C)C1 125501061 JUFAVMQQOAZGDW-OLZOCXBDSA-N 212.381 2.626 30 20 BFED C=CCC[C@@H](C)NC[C@@H](C)N1CCCCC1 126773491 PKPHFZNYKQBELH-ZIAGYGMSSA-N 224.392 2.805 30 20 BFED N#Cc1nc(N2CCC3(CCC3)C2)ccc1Cl 131400503 ZFLXZZFURAQZEO-UHFFFAOYSA-N 247.729 2.987 30 20 BFED C#C[C@H](OC(=O)c1cccc2cc[nH]c12)C1CC1 134025402 VLIOVCBWVWYCAL-ZDUSSCGKSA-N 239.274 2.737 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccccn1 134908885 NJOJSYQPFRIGDZ-BXUZGUMPSA-N 232.327 2.861 30 20 BFED Cc1ccc(F)c(CN[C@H](C)CC#N)c1 134970578 HRSRWJJTFYEVJW-SNVBAGLBSA-N 206.264 2.526 30 20 BFED CC#CCNC(=O)N1CCC[C@H]1[C@H](C)CCC 136051822 SVAWIJFMJMZMTE-OLZOCXBDSA-N 236.359 2.620 30 20 BFED C=C(C)CNC(=O)[C@H]1SCCc2ccccc21 153078595 RPQDXFDTOYBVJT-ZDUSSCGKSA-N 247.363 2.709 30 20 BFED C=CCSCCNC(=O)C1=CCCCC1 153516136 DZXQJDMCSVPXHZ-UHFFFAOYSA-N 225.357 2.522 30 20 BFED C=CCN(C)Cc1nc2c(s1)C[C@H](C)CC2 154774791 IIIOMVJBUDLSDD-SNVBAGLBSA-N 236.384 2.886 30 20 BFED C#CCCCCNC(=O)N(CC)[C@@H](C)C(C)C 154895820 AJYYIEGOSVUPTQ-ZDUSSCGKSA-N 238.375 2.866 30 20 BFED C=C(C)CNC(=O)N[C@H](C)c1ccc(C)cc1 156746080 UOXPCCCACWYAQW-GFCCVEGCSA-N 232.327 2.931 30 20 BFED C=C[C@@H](C)N[C@@H](C)Cc1ccccc1F 162567289 VKEAJPSHNDOUDQ-MNOVXSKESA-N 207.292 2.921 30 20 BFED C=CCCC(=O)N(C)[C@H]1CCC[C@@H](C)C1 171429927 MBUXINLPSFLLSN-NEPJUHHUSA-N 209.333 2.990 30 20 BFED C[C@@H]1CCCN(C(=O)c2sccc2C#N)[C@@H]1C 172643049 FUMLLDYVBRHPEP-NXEZZACHSA-N 248.351 2.880 30 20 BFED C=C(C)CCOC(=O)Cc1cccc(F)c1 174800108 XWTFWKZCBRBAEU-UHFFFAOYSA-N 222.259 2.878 30 20 BFED N#CCCCCNC(=O)N1CCC[C@@H]2CCC[C@H]21 176389386 DAYYMJQJGPZPMF-QWHCGFSZSA-N 249.358 2.654 30 20 BFED C=C[C@@H](CC(=O)N[C@H](C)CC#N)c1ccccc1 179213204 FMLAKOSZSVJAOZ-OLZOCXBDSA-N 242.322 2.765 30 20 BFED C#CCCCCC(=O)N(C)OCc1ccccc1 180450538 WPVCHXJVOYQHBZ-UHFFFAOYSA-N 245.322 2.770 30 20 BFED C[C@@H](C#N)CNC(=O)C1(C)CCCCCC1 181984896 ZNAVBCSPZITIMK-NSHDSACASA-N 222.332 2.623 30 20 BFED CC#CCCCC(=O)N(C)[C@@H](CC)CSC 185990619 MHCDZHPCMDIKTM-LBPRGKRZSA-N 241.400 2.780 30 20 BFED C=CCN(CC=C)C(=O)C[C@H]1C=CCCC1 186442545 YLHMOXVPOHKVOW-ZDUSSCGKSA-N 219.328 2.933 30 20 BFED C=CCN(CCOC)Cc1cccc2[nH]ccc12 191757802 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C=CCSCCNC(=O)/C=C1\CC[C@@H](C)C1 267850540 LBGZINKYVLTDPQ-KPMWUXBGSA-N 239.384 2.768 30 20 BFED C=CCN(C(=O)Nc1ncc(C)s1)C1CC1 271463473 RLBHXVXNOALLTN-UHFFFAOYSA-N 237.328 2.634 30 20 BFED Cc1cccc(CNCCCC#N)c1C 273054195 KZQIZLUONBKLSN-UHFFFAOYSA-N 202.301 2.697 30 20 BFED CC[C@@H](CC#N)Nc1ncc(C#N)cc1Cl 273912828 XYQABAAXXFTTBT-VIFPVBQESA-N 234.690 2.711 30 20 BFED CC#CCCN1CC[C@@H](c2ccccc2OC)C1 274083730 NXTPKUMBXVFTCB-CQSZACIVSA-N 243.350 2.898 30 20 BFED C#CCCCCC(=O)N[C@](C)(C#N)C(C)(C)C 274937894 DQIDFQRBRMIJMF-CQSZACIVSA-N 234.343 2.625 30 20 BFED C=C[C@@](C)(CC)c1nc(C(C)(C)OC)no1 276228744 RZQWYAOSOMILTJ-LBPRGKRZSA-N 224.304 2.805 30 20 BFED CC#CC(=O)N[C@H](CC)c1cccc(Cl)c1 277307723 DXRUWTWDZJQCLK-GFCCVEGCSA-N 235.714 2.931 30 20 BFED C#CC(C)(C)N(C)Cc1cc(C#N)ccc1F 279264003 MPUXPLPXALKITN-UHFFFAOYSA-N 230.286 2.541 30 20 BFED C=CC[C@H](CC)NC(=O)c1ccc(COC)cc1 281426085 QISNDHJROJZNPJ-AWEZNQCLSA-N 247.338 2.918 30 20 BFED CC#CCNC(C)(C)COCc1ccccc1 281441130 PYMHPWXPKOCJRS-UHFFFAOYSA-N 231.339 2.595 30 20 BFED C=CC[C@H](CC)NC(=O)COc1ccccc1 281563342 ZWIUWBKDPFUXGK-LBPRGKRZSA-N 233.311 2.536 30 20 BFED C=CC[C@@H](CC)NC(=O)c1coc(CCC)n1 281832588 WJUPQFKERAGBRE-SNVBAGLBSA-N 236.315 2.712 30 20 BFED CC#CCNC(=O)CC1CC(c2ccccc2)C1 282146529 BFXIQICTMZMAME-UHFFFAOYSA-N 241.334 2.710 30 20 BFED CCC[C@@]1(NCc2ccc(C#N)cc2)CCOC1 285469631 HKDYCDXMFIRXQW-OAHLLOKOSA-N 244.338 2.607 30 20 BFED C#Cc1ccccc1CC(=O)N(C)[C@@H](C)C(C)C 289635530 UNFQTWVHPNTODX-ZDUSSCGKSA-N 243.350 2.713 30 20 BFED C=CCOc1cccc(CNC[C@@H](CC)OC)c1 289960434 YEVNBCXHWXCJCB-CQSZACIVSA-N 249.354 2.766 30 20 BFED C=CCN(CCC#N)C(=O)c1ccc(C)s1 292266240 GORCBNGPXFACNP-UHFFFAOYSA-N 234.324 2.598 30 20 BFED C=CC[C@H](CC)NC(=O)c1oc(CC)nc1C 293738143 WYGHQYPDOZSSSV-JTQLQIEISA-N 236.315 2.630 30 20 BFED CC[C@@H]1CC[C@@H](C)N(c2ccc(C#N)cn2)C1 306111479 WGYHPKUZESAQOO-VXGBXAGGSA-N 229.327 2.968 30 20 BFED C#C[C@@H](NC(=O)[C@H](CC)CC(C)C)C(C)C 307992364 KIXLJANGQQXUNA-CHWSQXEVSA-N 223.360 2.833 30 20 BFED CSC1(CNc2cc(C)nc(C#N)c2)CCC1 308270247 VHCVUEAGDHRONH-UHFFFAOYSA-N 247.367 2.959 30 20 BFED CC[C@H](C)CNc1cc(C)nc(C#N)c1 308277548 RDJQKTPZPDEVJW-VIFPVBQESA-N 203.289 2.720 30 20 BFED C=C[C@H](C)NCc1nc(CCC)cs1 308527828 QZTQPAUFMBWPLG-VIFPVBQESA-N 210.346 2.760 30 20 BFED CCC#C[C@@H](C)N[C@H](C)c1ccccc1O 309788881 OSXPFWXLXDQFKS-VXGBXAGGSA-N 217.312 2.845 30 20 BFED C[C@H](NC(=O)c1ccc(C#N)o1)c1ccsc1 310505847 KLQGQULXKSYFJN-QMMMGPOBSA-N 246.291 2.704 30 20 BFED C[C@@H]1O[C@H](C)C[C@H]1Nc1cccc(CC#N)c1 313424652 IUDPSJBZFXUCLR-UHIISALHSA-N 230.311 2.730 30 20 BFED N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CC13CC3)CC2 334892747 WPUPIFSYBYRKJF-DZGCQCFKSA-N 238.334 2.935 30 20 BFED CC(C)(C)[C@H](C#N)NC(=O)C12CCC(CC1)C2 335244897 VVOWITHVCDAXIC-CVZZAPKMSA-N 234.343 2.621 30 20 BFED CC(C)n1cnnc1S[C@H]1CC[C@H](C#N)C1 335574967 BBQDMAJGNHIJJV-UWVGGRQHSA-N 236.344 2.643 30 20 BFED CC(C)CN(C(=O)[C@@H](C)C#N)c1ccccc1 336698702 JVMMMTPFNSCTOE-LBPRGKRZSA-N 230.311 2.835 30 20 BFED C=CC[C@@H](CC)NCc1cccnc1C 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233.311 2.769 30 20 BFED CCOC1CC(Nc2cc(C#N)ccc2OC)C1 272941151 MFWYKCYGSLJWRQ-UHFFFAOYSA-N 246.310 2.546 30 20 BFED CC#CCCN1CC=C(C(F)(F)F)CC1 274215259 XPGJQYFDRBGNLT-UHFFFAOYSA-N 217.234 2.594 30 20 BFED C=CCN(C)CCCOCc1ccccc1 275043290 HWLHYBRKGGEFFJ-UHFFFAOYSA-N 219.328 2.711 30 20 BFED C=CCCN(C)C(=O)N[C@@H](CC)c1ccncc1 276310712 SXMCOGGKDZYWKR-ZDUSSCGKSA-N 247.342 2.750 30 20 BFED CC1=C(C)CN(c2nccc(C)c2C#N)CC1 280662718 BETMXBNNHSZQFO-UHFFFAOYSA-N 227.311 2.808 30 20 BFED C[C@@H](CC#N)NC(=O)c1cccc(C2CCC2)c1 281486820 GCWSCPPPDZLNJF-NSHDSACASA-N 242.322 2.986 30 20 BFED C=CCC(CC=C)C(=O)N[C@H](C)C(F)(F)F 288558543 IWSMKABTDSESOM-MRVPVSSYSA-N 235.249 2.822 30 20 BFED C#C[C@@H](NCC1=Cc2ccccc2OC1)C(C)C 289389488 NKSYXLFRFKSYPD-OAHLLOKOSA-N 241.334 2.710 30 20 BFED C=CC[C@H](CC)Nc1ccc(C#N)nc1 291265067 ZJUCBHJPHSJBPC-JTQLQIEISA-N 201.273 2.720 30 20 BFED Cn1cc(CN2CC(C)(C)[C@H]2C2CC2)cc1C#N 291654318 UUTGIMLZNLWUHJ-CQSZACIVSA-N 243.354 2.517 30 20 BFED C=CCC(C)(C)CNC(=O)CC(F)(F)F 293835763 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CO[C@H]1CCC[C@@H]1CNc1cccc(F)c1C#N 340978227 NPHDSMRKYCEBIW-YGRLFVJLSA-N 248.301 2.924 30 20 BFED C=CC[C@H](CO)CN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 341879658 ONDABQJSOYWYBU-NHOPFSRNSA-N 249.398 2.585 30 20 BFED C=C(C)CN(C)c1nc(C(F)(F)F)ns1 342935472 BSMPMUCXGCYFPG-UHFFFAOYSA-N 237.250 2.569 30 20 BFED C=CCCOCCCCC(=O)NCC1(C)CC1 342967017 BBTKXSRDBKCTOG-UHFFFAOYSA-N 239.359 2.666 30 20 BFED C=CCN(CCCC(=O)OC(C)(C)C)C1CC1 343756866 FPSHZZWFGQYYLP-UHFFFAOYSA-N 239.359 2.759 30 20 BFED C=CCn1c(C)nnc1N(C)[C@H]1CCC[C@H](C)C1 350624173 ZILNZPYOGNAIRC-AAEUAGOBSA-N 248.374 2.787 30 20 BFED CCN(CCC#N)Cc1ncc(Cl)s1 352011344 QIKQHSKRDIKSQC-UHFFFAOYSA-N 229.736 2.532 30 20 BFED C=CC[C@@H](CC)NC(=O)NCCC=C(C)C 353195155 VCIGVDYXNSJORB-GFCCVEGCSA-N 224.348 2.997 30 20 BFED C=CCOCCCOc1ccccc1C(C)=O 356007329 GMMIULZCPFSASK-UHFFFAOYSA-N 234.295 2.861 30 20 BFED CCC(C)(C)CC(=O)N[C@@]1(C#N)CC1(C)C 362174472 YVKMUAPRZXVSRD-CYBMUJFWSA-N 222.332 2.621 30 20 BFED C=C[C@H](C)NC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 362371643 TULOKOKXMPMBED-UMSGYPCISA-N 236.359 2.829 30 20 BFED C=C[C@@H](C)NC(=O)CCCOCc1ccccc1 362590204 XTSHNNPWKXGFRI-CYBMUJFWSA-N 247.338 2.674 30 20 BFED N#CC1(CNCc2cscc2Cl)CC1 379572920 HNPHWPMGWMFIFB-UHFFFAOYSA-N 226.732 2.795 30 20 BFED C=C(Cl)COC(=O)c1cc(CC)ccc1N 381547098 LBDNOIDANCKXAE-UHFFFAOYSA-N 239.702 2.741 30 20 BFED C[C@H](CNc1ncccc1C#N)CC(F)(F)F 396936273 DOWNJUNVBJXDFQ-QMMMGPOBSA-N 243.232 2.954 30 20 BFED CC[C@H](C)[C@@H](C)NC[C@H](O)c1cccc(C#N)c1 402321000 KUYRLGPYJMJUND-ZOWXZIJZSA-N 246.354 2.616 30 20 BFED N#CC[C@@H]1CCCN(CC=C(Cl)Cl)C1 403389736 RUNQNYQMABMPIB-VIFPVBQESA-N 233.142 2.931 30 20 BFED N#Cc1ccc(CN[C@@H]2CCC[C@H]3C[C@H]32)cc1F 404852990 RPELGXVVLZHVJV-NJZAAPMLSA-N 244.313 2.976 30 20 BFED C#CCn1nc(-c2ccncc2)cc1C(C)C 409439630 JFPAPNMJQCWBLB-UHFFFAOYSA-N 225.295 2.702 30 20 BFED COc1ccc(CSCCC#N)cc1 413014700 QXABANNMVDKNER-UHFFFAOYSA-N 207.298 2.842 30 20 BFED C=CC(C)(C)CN[C@H](C)c1cc2n(n1)CCC2 414153414 RWQBWJJZWXDVNI-LLVKDONJSA-N 233.359 2.692 30 20 BFED C=C[C@@H](CCC(=O)O)NCc1ccc(C)c(C)c1 417621780 FZSUUQLYTHEMAW-AWEZNQCLSA-N 247.338 2.812 30 20 BFED CC[C@H](Nc1cncc(C#N)n1)[C@H]1CC1(C)C 420648073 CRRPAPXWKOKAOG-MNOVXSKESA-N 230.315 2.585 30 20 BFED C=CCC[C@@H](CCC)NC1CCN(OC)CC1 421396507 KBYWODMPELBQAZ-CYBMUJFWSA-N 240.391 2.737 30 20 BFED C=CCCC[C@H](C)NC(=O)C[C@@H](C)n1cccn1 424749756 FHAQRYPHUSWMHM-QWHCGFSZSA-N 249.358 2.695 30 20 BFED C[C@@H]1CCCC[C@@H]1C(=O)NCC1(CC#N)CC1 424845776 XCKAWHVYTWDNFT-NEPJUHHUSA-N 234.343 2.623 30 20 BFED N#CC1(CN2CCc3cccc(F)c32)CCC1 450602380 WTVIPZCOPLLWEX-UHFFFAOYSA-N 230.286 2.882 30 20 BFED C=C(C)CCN=c1[nH]c2cccc(F)c2n1C 450714971 MNYPVSKNWIDVRX-UHFFFAOYSA-N 233.290 2.512 30 20 BFED CN(c1ccc(C#N)cc1)[C@@H](CO)CC(C)(C)C 450835325 NXRREAMQPCHQKM-CQSZACIVSA-N 246.354 2.792 30 20 BFED N#C[C@@H]1CC[C@@H](S[C@@H]2CCCOC2)C1 450894120 FBIXNNWCPSUKGX-GMTAPVOTSA-N 211.330 2.591 30 20 BFED COc1cc(C#N)cc(OCC2(C#N)CCC2)c1 450913624 KFSWNZMVSQATKQ-UHFFFAOYSA-N 242.278 2.640 30 20 BFED C=CC(C)(C)C(=O)N[C@@H](C)c1ccncc1F 451517696 KPPJCAYIOROXPT-VIFPVBQESA-N 236.290 2.610 30 20 BFED C=CC(C)(C)CNC(=O)CC(C)(C)CC(C)=O 452777433 UXOCCFWDWUFVGC-UHFFFAOYSA-N 239.359 2.710 30 20 BFED C=C(CC)CNC(=O)N[C@@H]1CCCC1(C)C 454594301 MACSCDZIYGFKRV-LLVKDONJSA-N 224.348 2.831 30 20 BFED CCC[C@H](NC(=O)NCCCC#N)C(C)(C)C 454790726 QRNNQDQNXCUKRP-NSHDSACASA-N 239.363 2.804 30 20 BFED C=CCC1(CNC(=O)[C@H](CC)OC)CCCC1 456481702 CFGSUOTXQQZAIE-LBPRGKRZSA-N 239.359 2.664 30 20 BFED C=CCC1(CNC(=O)COC(C)C)CCCC1 456490770 XUWAUOBHJHIIJE-UHFFFAOYSA-N 239.359 2.664 30 20 BFED C=CCn1cccc1C(=O)N[C@H]1C[C@@]1(C)C(C)C 458143231 TVEXJZUZFPAIHY-ZFWWWQNUSA-N 246.354 2.839 30 20 BFED CC#CCCNC(=O)NC1(CC)CCCCC1 458646725 FKEQKPGTNYCQRA-UHFFFAOYSA-N 236.359 2.812 30 20 BFED C=CCCC[C@@H](C)N[C@H](C)c1ccn(C)n1 459792003 NSCLKOHSHXVHEC-VXGBXAGGSA-N 221.348 2.816 30 20 BFED C=C[C@H](C)NC(=O)NCC(C)(C)CC(C)C 464750153 GSBCCACMVTUARB-NSHDSACASA-N 226.364 2.932 30 20 BFED C=CCN(C)C(=O)NC[C@@H](SC)C(C)(C)C 488547529 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CC(C)CCN(CCC(C)C)C(=O)CC#N 231141611 OIDODSVACCDYFC-UHFFFAOYSA-N 224.348 2.821 30 20 BFED C[C@@H](Nc1nccc(C#N)n1)C1CCCCC1 231900573 CFVMUBJDOZHHEE-SNVBAGLBSA-N 230.315 2.729 30 20 BFED C#C[C@@H](CCC)NC(=O)CCCCCC 232908819 UQLILHPAGDTWNE-LBPRGKRZSA-N 209.333 2.875 30 20 BFED C#C[C@@H](CCC)NC(=O)C1C(C)(C)C1(C)C 233294738 XWEQQCXIIIDUQP-JTQLQIEISA-N 221.344 2.587 30 20 BFED C#C[C@@H](CCC)NC(=O)c1cccc(C)c1F 233295440 YDISKMIPKLPNIX-NSHDSACASA-N 233.286 2.666 30 20 BFED Cc1ccc(C)c(C(=O)N[C@@H](C#N)CC(C)C)c1 259795836 HUVQGVISYYVTRS-CYBMUJFWSA-N 244.338 2.972 30 20 BFED Cc1ncc(CN2CCC(CCC#N)CC2)s1 259906527 GBDOWMAKPQXCJL-UHFFFAOYSA-N 249.383 2.967 30 20 BFED CCCC(O)(CCC)CNc1cccc(C#N)n1 265554001 HTMFXZILJDPBSI-UHFFFAOYSA-N 247.342 2.696 30 20 BFED CCC1(C)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 269735388 HSXDQUSIGVADMZ-UHFFFAOYSA-N 245.326 2.539 30 20 BFED C=CCC(CC=C)C(=O)N(CC=C)C1CC1 271539077 PEZOVZHOILSKPY-UHFFFAOYSA-N 219.328 2.932 30 20 BFED C[C@@H]1CN(c2ccc(C#N)cn2)[C@H]2CCCC[C@H]12 272874830 DZECSCLGXMMVBP-BNOWGMLFSA-N 241.338 2.968 30 20 BFED C#CCN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 273513937 PAAHZTNMEHXBFM-HUUCEWRRSA-N 247.313 2.611 30 20 BFED C#CCN(C)Cc1nc(-c2ccccc2)oc1C 276913632 GEYGEGAZRFLAQF-UHFFFAOYSA-N 240.306 2.715 30 20 BFED COC(C)(C)CC(=O)Oc1ccc(C#N)c(C)c1 278800480 NPLFGBCLKQFYQR-UHFFFAOYSA-N 247.294 2.587 30 20 BFED N#CCN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 282428918 JYQIYIVEMMEITA-QDMKHBRRSA-N 226.323 2.921 30 20 BFED CC#CC(=O)N1CCCC[C@@H]1Cc1ccccc1 283349870 PNUKPMKUZPWXIL-OAHLLOKOSA-N 241.334 2.634 30 20 BFED C#CCCCOc1cccc2oc(C)nc12 284596305 YFSLSISSLIFAQA-UHFFFAOYSA-N 215.252 2.928 30 20 BFED CCCN(C)C(=O)c1cc(C#N)ccc1Cl 285197853 OEIYYPJMMYTBTN-UHFFFAOYSA-N 236.702 2.694 30 20 BFED CC1(C)CC[C@@H]1Nc1cnccc1C#N 286490330 RIKKVVRJSYZXNE-NSHDSACASA-N 201.273 2.554 30 20 BFED C=C[C@H](CO)N[C@@H](CC)c1ccc(F)cc1F 289917954 USBWMUQQCJXYAG-MFKMUULPSA-N 241.281 2.552 30 20 BFED C=C[C@H](CO)N[C@@H]1CC(C)(C)c2ccccc21 289959282 WTYANSNBYXMKIA-BXUZGUMPSA-N 231.339 2.546 30 20 BFED C=CCC(C)(C)CN[C@H](C)c1ccnn1C 293569453 BEFPGVWTZXVOLA-LLVKDONJSA-N 221.348 2.673 30 20 BFED C#CC(C)(C)N(C)Cc1nnc(C(C)C)s1 296087450 TTYIKIVQHMIYEF-UHFFFAOYSA-N 237.372 2.505 30 20 BFED C=CCCc1noc(COCCCC)n1 297488732 ZWJJVVUYROUDHY-UHFFFAOYSA-N 210.277 2.505 30 20 BFED Cc1ccc(C)c(OCCN(C)C[C@@H](C)C#N)c1 299142820 ACDAFPYTJDPOBB-ZDUSSCGKSA-N 246.354 2.774 30 20 BFED CC1(C)CCC(C/N=C(\N)NC(C)(C)C)CC1 305713371 SRIRKSSVNDLTLX-UHFFFAOYSA-N 239.407 2.906 30 20 BFED C[C@H](C#N)Sc1cccc([N+](=O)[O-])c1 306169977 KIWGEISEIBFMMV-SSDOTTSWSA-N 208.242 2.599 30 20 BFED CCc1nc(C#N)cc(SC2CCCC2)n1 308282863 QVIMZYFUJRDRCU-UHFFFAOYSA-N 233.340 2.945 30 20 BFED CCc1nc(C#N)cc(N[C@H]2CC[C@H](C)C2)n1 308313076 UCWURNVOYXXBMS-UWVGGRQHSA-N 230.315 2.511 30 20 BFED C#CCCCCNc1sccc1[N+](=O)[O-] 308937828 OVJQJVIRKSUYDN-UHFFFAOYSA-N 224.285 2.872 30 20 BFED Cc1cc(C)c(C(=O)N(C)CC(C)(C)C#N)o1 334414027 ONIAPLXVMKCRSB-UHFFFAOYSA-N 234.299 2.518 30 20 BFED CC1(C)CN(CCCC#N)[C@@H]2CCC[C@@H]21 336337870 UTBMKARQNQRYME-NWDGAFQWSA-N 206.333 2.801 30 20 BFED C=CCC(C)(C)CN=c1ccc(C#N)c(C)[nH]1 336662914 WCDANOFAXBFNPM-UHFFFAOYSA-N 229.327 2.698 30 20 BFED C=CC[C@H](CC)Nc1ncnc(CC)c1F 336742050 RQSWEHVDHQQEOQ-VIFPVBQESA-N 223.295 2.945 30 20 BFED CCN(C[C@H](C)C#N)C(=O)CC(C)(C)C1CC1 338972107 KELKMEALAZKFSN-LLVKDONJSA-N 236.359 2.821 30 20 BFED C=CCCN(C)Cc1ccc(OCCOC)cc1 343435326 APNCYMRMNWHKNT-UHFFFAOYSA-N 249.354 2.720 30 20 BFED CC(C)(C#N)CCCN1CC[C@](C)(F)C1 347395862 UJLLSQLPDZWPKI-LBPRGKRZSA-N 212.312 2.750 30 20 BFED C=CCOCCCN(C)[C@H](CC)CSC 348037468 AZRLPSXTFLCLMB-GFCCVEGCSA-N 231.405 2.653 30 20 BFED C=CCCc1noc([C@H]2C[C@@H]2C2CC2)n1 351128483 AXBIRCYWQBLLQB-ZJUUUORDSA-N 204.273 2.702 30 20 BFED C=C(C)COCCN[C@@H](C)c1cc(C)ccn1 353626776 YQQVDLOWDTXCIE-ZDUSSCGKSA-N 234.343 2.633 30 20 BFED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ccnc(O)c1 355242217 KXHBBYHCLNKVJY-HZMBPMFUSA-N 248.326 2.567 30 20 BFED C[C@@H]1CN(CC2(C#N)CC2)[C@H]2CCCC[C@@H]12 360213217 NIJZZMMVXGVREZ-AGIUHOORSA-N 218.344 2.801 30 20 BFED CC(C)C[C@H](C)CC(=O)N[C@]1(C#N)CC1(C)C 362183240 FIVLDTBINUTATQ-FZMZJTMJSA-N 236.359 2.867 30 20 BFED C=C(C)CN[C@@H]1CCc2ccccc2OC1 365872723 BCFLYTBOTQZMCS-CYBMUJFWSA-N 217.312 2.546 30 20 BFED CC#CCCCC(=O)N1CC2(CCC2)[C@@H]1C1CC1 368251457 IHDGLDOWJAYABC-HNNXBMFYSA-N 245.366 2.971 30 20 BFED C=CCC[C@H](CC)N[C@@H]1CCc2c[nH]nc2C1 374443786 NEMFWNUSGQJBTK-QWHCGFSZSA-N 233.359 2.601 30 20 BFED C=CCCCCNC(=O)C[C@@H](N)c1ccccc1 381199906 OPNJJSZANYTKKG-CQSZACIVSA-N 246.354 2.549 30 20 BFED C=CCCCCCCNCc1cn(C)cn1 381222118 IYFAACKXGMCYBK-UHFFFAOYSA-N 221.348 2.646 30 20 BFED C=C[C@H](COC)NC[C@H]1CCC[C@H](CC)C1 381543511 JADBSMPJKLFPGA-MELADBBJSA-N 225.376 2.993 30 20 BFED C[C@@H](CC(=O)NCC1(CC#N)CC1)C(C)(C)C 404214065 XLCRFAFAUPQKRD-NSHDSACASA-N 236.359 2.869 30 20 BFED N#CCn1nc(-c2cccs2)c2c1CCC2 409441756 ZYNDBEHMKZGEDJ-UHFFFAOYSA-N 229.308 2.624 30 20 BFED C=CCN(C(=O)[C@]1(C)CCC[C@@H]1C)C1CC1 410662861 MCWKGWLLRDUZAB-SMDDNHRTSA-N 221.344 2.990 30 20 BFED C=CCNc1cccc([C@H](C)C(=O)OC)c1 417085076 WHGLKZFIFNJRGO-JTQLQIEISA-N 219.284 2.561 30 20 BFED C=CCNc1cccc([C@@H](C)C(=O)OC)c1 417085077 WHGLKZFIFNJRGO-SNVBAGLBSA-N 219.284 2.561 30 20 BFED CCN(CC#N)C[C@@H]1C(C)=CCC[C@H]1C 443415637 GOQQNCSXPKSPQZ-CHWSQXEVSA-N 206.333 2.824 30 20 BFED C[C@H](C(=O)Nc1ccc(C#N)cc1)C1CCC1 457416111 SOZJRKNRUCAYKG-JTQLQIEISA-N 228.295 2.933 30 20 BFED C[C@@H](Cc1ccc(O)cc1)NCC(C)(C)CC#N 459727566 HDVXLWAEXCVATF-LBPRGKRZSA-N 246.354 2.853 30 20 BFED C=C[C@H]1CCCCN1Cc1ccc(CO)cc1 489494156 UXCJZXLONILDLH-HNNXBMFYSA-N 231.339 2.719 30 20 BFED C=CCn1cccc1C(=O)N[C@H]1CC[C@H](C)C1 489590562 ZKBXORCGRYKKIF-RYUDHWBXSA-N 232.327 2.593 30 20 BFED C#CCN(C[C@H]1C[C@H]2CC[C@H]1O2)C1CCCCC1 491251679 BIWSDHGMFNGUFB-FVQBIDKESA-N 247.382 2.822 30 20 BFED C#C[C@H](C)N(C)C/C=C\c1ccc(F)cc1 491818057 WWHLYZLGYIIANZ-FJOGCWAESA-N 217.287 2.792 30 20 BFED N#CC1(CNCc2ccc3cc[nH]c3c2)CCC1 529611011 IFFVWMTWBOWLNG-UHFFFAOYSA-N 239.322 2.951 30 20 BFED CCn1ccc(-c2cccc(C#N)c2)c1C=O 536960163 XRPUUQJCYBRIJF-UHFFFAOYSA-N 224.263 2.859 30 20 BFED C=CCOCCCN(C)[C@H](C)C(C)(C)C 548750557 VATUAUBFSZUNPY-GFCCVEGCSA-N 213.365 2.946 30 20 BFED C=CCN(C)c1cc(C(F)F)nc(SC)n1 565229732 NZKSKNNYTXFZIS-UHFFFAOYSA-N 245.298 2.758 30 20 BFED CC(C)CC(CC(C)C)N=c1nc[nH]cc1C#N 565595485 CGWDCGDQNSTPQR-UHFFFAOYSA-N 246.358 2.643 30 20 BFED C=C(C)C[C@H](C)C(=O)NCc1cc(C)cc(N)c1 571815037 PNDLSGAREPSHMM-LBPRGKRZSA-N 246.354 2.796 30 20 BFED Cc1nnc(N[C@@H]2CCC[C@H](F)C2)c(C#N)c1C 579466516 FLTFHLVHOKDVPF-WDEREUQCSA-N 248.305 2.658 30 20 BFED N#Cc1cccc(CNC2(CF)CCC2)c1 584839331 YZLCLTJYYIUZDA-UHFFFAOYSA-N 218.275 2.540 30 20 BFED C[C@H](C#N)N(CCCOc1ccccc1)C1CC1 595721601 TWOMJCZCPVAPQA-CYBMUJFWSA-N 244.338 2.832 30 20 BFED C[C@H](O)CCSCc1cccc(C#N)c1F 596408208 PLWJEVCQCNRJNP-VIFPVBQESA-N 239.315 2.701 30 20 BFED CC[C@](C)(C#N)NC(=O)c1ccc(C2CC2)cc1 597036866 YQLPWPDRVISRID-OAHLLOKOSA-N 242.322 2.986 30 20 BFED CC[C@@H](CC(=O)N(C1CC1)[C@H](C)C#N)C(C)C 598129636 KAWODDAADCVERB-NEPJUHHUSA-N 236.359 2.962 30 20 BFED N#CCCCC(=O)N[C@@H]1CC[C@@H]1c1ccccc1 598305521 JVQVIBOZKAMMCG-ZIAGYGMSSA-N 242.322 2.743 30 20 BFED CCN(C(=O)CSc1ccccc1)[C@H](C)C#N 598345937 ATGIJCCQKJXIBM-LLVKDONJSA-N 248.351 2.539 30 20 BFED C=CCN(CC=C)[C@H](C)c1ccncc1 605427746 HKCIQBUYWUKSHX-GFCCVEGCSA-N 202.301 2.817 30 20 BFED Cc1cc(C(=O)N(C)[C@@H](C)CC#N)c(C)s1 609143191 CMDBLSCSUIBBGD-QMMMGPOBSA-N 236.340 2.739 30 20 BFED Cc1cnc(N[C@@H](C)c2cccc(C#N)c2)nc1 611143277 JVHJADZBSQSIQN-NSHDSACASA-N 238.294 2.830 30 20 BFED CCC[C@@H]1CCCC[C@@H]1N=c1ccc(C#N)n[nH]1 611240548 NTHGDIVFFQMHQL-YPMHNXCESA-N 244.342 2.541 30 20 BFED OC1(CC#Cc2ccsc2)CCCC1 616581298 MGZPAQAGZAUUAH-UHFFFAOYSA-N 206.310 2.795 30 20 BFED C=CCCNC(=O)Cc1cccc(OC(C)C)c1 617614617 HNJJLSFXGAONPJ-UHFFFAOYSA-N 247.338 2.709 30 20 BFED C=CCCNC(=O)C1(C(F)F)CCCC1 617618421 OQRQDJMPVHJNKT-UHFFFAOYSA-N 217.259 2.504 30 20 BFED C=CCC1(NC(=O)c2c(C)ccn2C)CCCC1 619110470 GIFBTWXKBYXCBZ-UHFFFAOYSA-N 246.354 2.952 30 20 BFED C=C[C@@H](C)N[C@@H]1CCCc2scnc21 623905108 RPWMLGUDTBVYHJ-RKDXNWHRSA-N 208.330 2.685 30 20 BFED C=CCC1(NCCOCC)CCCCC1 625934122 AZNDEGVRXDQZNK-UHFFFAOYSA-N 211.349 2.892 30 20 BFED C=CCC1(C(=O)NCc2ccc(C)o2)CCC1 634312500 QQZJOGGHGMRKEV-UHFFFAOYSA-N 233.311 2.951 30 20 BFED CC#CCN(C)C(=O)Nc1csc(C)c1 640640157 DFXFNWHZRZWXFL-UHFFFAOYSA-N 222.313 2.544 30 20 BFED CCC#C[C@@H](C)N1CCCC(F)(F)C1 649695258 OJDSOTIDTPZGIB-SNVBAGLBSA-N 201.260 2.519 30 20 BFED CCC#C[C@H](C)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C 649966286 KHIAKDDGQDICOS-IGQOVBAYSA-N 235.371 2.582 30 20 BFED C=C[C@@H](C(=O)O)N1CCC(c2ccccc2)CC1 652385324 ACAHEJNFAWMTEP-AWEZNQCLSA-N 245.322 2.505 30 20 BFED C=CCCN[C@H](C)c1ccc(Cl)cn1 658114135 LOIFWSWLDUTZII-SECBINFHSA-N 210.708 2.962 30 20 BFED C=C(CC)CN(CCC(=O)O)Cc1ccccc1 659789167 AXRVFJRECSJCEW-UHFFFAOYSA-N 247.338 2.930 30 20 BFED C=C(C)CCNc1cccc(-c2cn(C)nn2)c1 663285841 YVSYNRAIYDHVCW-UHFFFAOYSA-N 242.326 2.860 30 20 BFED C=CCCC(C)(C)NC(=O)NCc1ccn(C)c1 664308272 QQVKPCZUKNTJHS-UHFFFAOYSA-N 249.358 2.569 30 20 BFED CCC#C[C@@H](C)N(C)Cc1ccn(CC)c1 683029912 SBNRTFRCVONUSY-CYBMUJFWSA-N 218.344 2.742 30 20 BFED C#CC1CCN(C(=O)[C@H]2CC3CCC2CC3)CC1 692311063 RDEOAFHYZGIBQS-NRXISQOPSA-N 245.366 2.685 30 20 BFED C#CCCCCC(=O)N(C)c1ccccc1OC 692866725 XPFIUMOTBFGUGS-UHFFFAOYSA-N 245.322 2.852 30 20 BFED CCCCc1ccc(C(=O)NCCC#N)cc1 701183433 IGPBPIDNKAWJPR-UHFFFAOYSA-N 230.311 2.673 30 20 BFED C#C[C@H](NCc1ccc(OC)cc1)C(C)(C)C 702285758 PQPIVGVOOLFBBB-AWEZNQCLSA-N 231.339 2.833 30 20 BFED COc1ccc(CNC[C@@H]2C=CCC2)cc1C#N 711667734 MNTFSOLYHSGZJY-GFCCVEGCSA-N 242.322 2.623 30 20 BFED C=CCCC(C)(C)NC(=O)c1cccc(O)c1O 717675517 JTTOLPZVOGBDQI-UHFFFAOYSA-N 249.310 2.572 30 20 BFED C=CC[C@H](C)N[C@H]1CCC[C@H](OCC)C1 721270172 CUJOHMGVHRTTOH-AVGNSLFASA-N 211.349 2.888 30 20 BFED CON=C1CCN([C@@H]2CCC[C@H](C)C2)CC1 733744895 VVEVRHSERAWGBB-WCQYABFASA-N 224.348 2.663 30 20 BFED C=CCCCNc1cccc(CC(=O)O)c1 737527329 AHNYTEDBNIMFIY-UHFFFAOYSA-N 219.284 2.692 30 20 BFED 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CC[C@@](C)(C#N)NC(=O)CCC1CCCC1 40357253 AAFJTCIGXFZASG-ZDUSSCGKSA-N 222.332 2.765 30 20 BFED CCN(Cc1ccc(C)cc1)C[C@H](C)C#N 42449595 KQTOSWZYBZQJCQ-CYBMUJFWSA-N 216.328 2.977 30 20 BFED C[C@@H]1C[C@@H]1CNc1ccc(C#N)cc1[N+](=O)[O-] 49228384 NBBQGNLJDCEIOC-PSASIEDQSA-N 231.255 2.534 30 20 BFED C[C@H]1CCCN(C(=O)c2cccc(CC#N)c2)C1 58242615 BDGJIABZOPMOFH-LBPRGKRZSA-N 242.322 2.625 30 20 BFED N#CCc1c(Cl)ccc(N)c1Cl 60086177 RFDGBHBOZYUMEW-UHFFFAOYSA-N 201.056 2.642 30 20 BFED COC[C@H](C)CNc1ccc(C#N)cc1Cl 62791153 UBDZTGKGHQDRPH-SECBINFHSA-N 238.718 2.906 30 20 BFED C=CCOc1cccc(NC(=O)COC(C)C)c1 63701714 IQMRYADYDHVIBX-UHFFFAOYSA-N 249.310 2.615 30 20 BFED C=CCN(CC1CCCCC1)C(=O)NC1CC1 70057199 GIZDSVFLRIBHJD-UHFFFAOYSA-N 236.359 2.927 30 20 BFED C=CCN(CC=C)Cc1ccc(OCC#N)cc1 77012567 XWQPFDYCWBJRQH-UHFFFAOYSA-N 242.322 2.763 30 20 BFED N#CCCSCc1ccccc1C#N 82693065 BTUQILUIKBOQHQ-UHFFFAOYSA-N 202.282 2.705 30 20 BFED CC(C)(C#N)CC[S@@](=O)c1cccs1 83643484 YPRRAZDMMHFPEG-AWEZNQCLSA-N 227.354 2.796 30 20 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CN(CCCCC#N)CCOCc1ccccc1 154577048 UIBOJTFIAQGEEA-UHFFFAOYSA-N 246.354 2.829 30 20 BFED C=C[C@H](C)NC(=O)c1ccccc1OCC1CC1 155664227 RFPNXDOOSSPHJZ-NSHDSACASA-N 245.322 2.780 30 20 BFED Cc1cc(C#N)ccc1CN(C)[C@@H]1CCSC1 165440019 LAIVOIJVGGZOPK-CQSZACIVSA-N 246.379 2.804 30 20 BFED Cc1ncccc1/C=C/c1ccc(C#N)cn1 171419389 XFFIKABTHRMBFM-FNORWQNLSA-N 221.263 2.827 30 20 BFED C=CCCC(=O)N(C)[C@H]1CCCC[C@@H]1C 171429437 UEICLCSQCKWHCN-RYUDHWBXSA-N 209.333 2.990 30 20 BFED CCCCC[C@@H](C)CC(=O)N[C@@H](C)C#N 173865337 ZNTCMEQDPASZRF-MNOVXSKESA-N 210.321 2.621 30 20 BFED C#CCN1CC[C@@H](CSc2ccccc2)C1 174145959 MZXXVGUNMPUHSE-CYBMUJFWSA-N 231.364 2.734 30 20 BFED CC[C@H](C)CN(CC)C[C@H](C#N)CCC#N 177064592 XDMUFRGCSGOYRK-STQMWFEESA-N 221.348 2.798 30 20 BFED N#Cc1cc(F)ccc1NC(=O)C[C@H]1C=CCC1 177561453 PBVVDCCVIXYQBH-JTQLQIEISA-N 244.269 2.992 30 20 BFED Cc1c(C#N)cccc1NC(=O)NC1CCCC1 178582821 CLRHPLCGWYHRPP-UHFFFAOYSA-N 243.310 2.931 30 20 BFED Cc1c(C#N)cccc1NC(=O)CC(F)(F)F 178626348 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2.678 30 20 BFED CC(C)C(=O)N(O)Cc1ccccc1Cl 248160166 KNOFHOXYWJHUER-UHFFFAOYSA-N 227.691 2.714 30 20 BFED C=C(C)CNC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 249521156 VNHHZVCYHUGMEZ-VOAKCMCISA-N 236.359 2.686 30 20 BFED CCCCN/C(N)=N/Cc1cccc(Cl)c1 264149586 YWWJADJLPBNDFU-UHFFFAOYSA-N 239.750 2.544 30 20 BFED C[C@@H](NC(=O)C1(C)CCC1)c1ccc(C#N)cc1 267424821 LKGPWDKQKJUUDA-LLVKDONJSA-N 242.322 2.926 30 20 BFED C=CCNc1cccc(OC[C@H]2CCCO2)c1 268066885 HXIZLMXXHAUSBA-CQSZACIVSA-N 233.311 2.842 30 20 BFED C#CCCN1CCO[C@H](c2ccccc2Cl)C1 269923626 VEOPCAWQPSSEGE-AWEZNQCLSA-N 249.741 2.737 30 20 BFED C=CCC[C@@H](O)CN[C@@H](C)c1ccc(C)cc1 271603389 AHEITRNGZDXHMQ-DZGCQCFKSA-N 233.355 2.973 30 20 BFED COc1ccccc1CCCN(C)C[C@H](C)C#N 272594984 NLZIPTNEOGDARR-CYBMUJFWSA-N 246.354 2.719 30 20 BFED C#C[C@H](C)NC(=O)NCC[C@H](C)c1ccccc1 275042136 GZPLAOYKAUQCLE-STQMWFEESA-N 244.338 2.501 30 20 BFED C=CC[C@H](CC)NC(=O)c1scnc1CC 281281542 HUWKNJQUJJZVBW-VIFPVBQESA-N 238.356 2.790 30 20 BFED C=C(C)CCc1noc(CCc2nccs2)n1 285201410 SNTUCCLTARJLIC-UHFFFAOYSA-N 249.339 2.820 30 20 BFED C=C(C)CCc1noc(-c2oc(C)nc2C)n1 285247999 WRWISGSYSSONSZ-UHFFFAOYSA-N 233.271 2.850 30 20 BFED C=C(CNC(=O)NOCC(C)C)c1ccccc1 287894356 UGHWLVNIXRSIMK-UHFFFAOYSA-N 248.326 2.587 30 20 BFED N#C[C@]1(C(=O)N2CCC=C(F)C2)CC12CCCC2 297555648 RFILCKQNGNIWHD-AWEZNQCLSA-N 248.301 2.546 30 20 BFED Cc1cc(C2CCN([C@H](C)CCC#N)CC2)[nH]n1 299494590 BAMAQIOZSOJCAZ-GFCCVEGCSA-N 246.358 2.590 30 20 BFED C#C[C@@H](Nc1nc(C(C)(C)C)ns1)C(C)C 300980436 UBBHBKCPCPIVNK-SECBINFHSA-N 237.372 2.905 30 20 BFED N#Cc1ccc(Oc2ccc(F)cc2Cl)nn1 301947064 XUKNOBXNUHHXPA-UHFFFAOYSA-N 249.632 2.933 30 20 BFED Cc1ccc([C@@H](C)NCCO[C@@H](C)C#N)s1 304209386 DQZDAFVUBBQPMT-GXSJLCMTSA-N 238.356 2.636 30 20 BFED CC#CCSc1ccc(Br)cn1 307671622 XCLGJGHRROTJSM-UHFFFAOYSA-N 242.141 2.960 30 20 BFED N#CCCCNCc1ccccc1C1CC1 309489835 IBLGKOMEHANTLX-UHFFFAOYSA-N 214.312 2.957 30 20 BFED C=C(C)CNCc1cc(F)cc(OC)c1 312290021 WGDAOTJJKGCULA-UHFFFAOYSA-N 209.264 2.500 30 20 BFED C=CCC[C@@H](CO)N[C@H](C)c1ccsc1 320330734 YNFSUUONCOEEQD-PWSUYJOCSA-N 225.357 2.726 30 20 BFED N#Cc1ccc(NC(=O)N[C@H]2CC[C@H](F)C2)cc1 334240382 OOLLKZADTLRCRR-JQWIXIFHSA-N 247.273 2.570 30 20 BFED N#Cc1cccc(C#N)c1N[C@H]1CCC[C@H]1F 334343048 LPQHYQLQNJRTHL-NEPJUHHUSA-N 229.258 2.732 30 20 BFED C=C[C@H](C)NC(=O)Nc1c(C)cc(C)nc1C 334712552 PZVXIEKMDFPDCR-VIFPVBQESA-N 233.315 2.703 30 20 BFED Cc1ccnc(N[C@H]2CS[C@@H](C)C2)c1C#N 334808836 YYPMPVFSVZBQOW-VHSXEESVSA-N 233.340 2.568 30 20 BFED C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1F 335134495 MGTZWBBXOHDJJU-NXEZZACHSA-N 213.296 2.596 30 20 BFED N#Cc1cc(Cl)cc(OCc2ccno2)c1 335917846 KZSRVEQFOCPWBM-UHFFFAOYSA-N 234.642 2.779 30 20 BFED CCn1cc(NC2CCC(C)(C#N)CC2)cn1 336217546 HLGDIBLHWZSAPB-UHFFFAOYSA-N 232.331 2.787 30 20 BFED N#CCCNC(=O)Nc1cccc2ccsc12 336329306 OYJDLSNKVJFYPZ-UHFFFAOYSA-N 245.307 2.936 30 20 BFED C=C1CCN(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1 336349825 ZXFUCNWRRZFITR-CHWSQXEVSA-N 221.344 2.991 30 20 BFED C=C(C)CN(C)C(=O)N[C@@H]1CCC(C)(C)C1 336380887 KMZSIBXPXGZTTK-LLVKDONJSA-N 224.348 2.783 30 20 BFED N#CCCNCCCc1c(F)cccc1Cl 336657427 AZNOWHXIWSWTAQ-UHFFFAOYSA-N 240.709 2.915 30 20 BFED CCCc1nc(Cn2ccc(C#N)c2)cs1 339200243 OXQQXKFJHBWWMX-UHFFFAOYSA-N 231.324 2.817 30 20 BFED C=CCCN(C)C(=O)Cc1ccc(CC)cc1 342023931 VMEUJDFJMNVEAR-UHFFFAOYSA-N 231.339 2.826 30 20 BFED C=C(C)CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)O1 342101641 KUBAAOIZPBXUSA-KBPBESRZSA-N 245.322 2.599 30 20 BFED C[C@H]1CN(c2cc(C#N)ccn2)CC(C)(C)C1 342831406 MYTJLVGRBJBXTF-LLVKDONJSA-N 229.327 2.826 30 20 BFED C=C(C)CCN1CCCC[C@H](COC)C1 351986830 MZRFXANTUVDFQL-ZDUSSCGKSA-N 211.349 2.701 30 20 BFED C=CCC(C)(C)CNC(=O)C1(SC)CCC1 352511047 QDOFVQSXWQYZSG-UHFFFAOYSA-N 241.400 2.991 30 20 BFED CC[C@@H](C)NC(=O)C[C@@H](CC#N)c1ccccc1 353352257 VXWUVRWOHIZEFD-TZMCWYRMSA-N 244.338 2.989 30 20 BFED C=C(CC)CSc1nncn1C1CC1 358554018 HTCMDAPPXVSGIE-UHFFFAOYSA-N 209.318 2.671 30 20 BFED C=CC[C@@H](CO)CNCc1cccc(CCC)c1 358985974 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20 BFED C=C(C)CONC(=O)[C@@H]1C[C@H]1c1ccccc1C 855026706 NBWUPZNCUQNQQJ-UONOGXRCSA-N 245.322 2.722 30 20 BFED CCCCCCCNC(=O)c1cnc(C)nc1C 862358028 QLIMTHREFOCMGR-UHFFFAOYSA-N 249.358 2.794 30 20 BFED CCCCNN=Cc1ccc2cc[nH]c2c1 863080309 WNKUEGPVUMQMKF-UHFFFAOYSA-N 215.300 2.892 30 20 BFED CC(CC1CCOCC1)=NNc1cccc(C)n1 863160167 SVNLBICVUQSKJW-UHFFFAOYSA-N 247.342 2.995 30 20 BFED CCCCCCCNC(=O)c1ncc(C)o1 863493358 FSFBHBJGGYNXPD-UHFFFAOYSA-N 224.304 2.683 30 20 BFED Cc1cc(C)c(/C=C/C=NN[C@@H](C)CO)c(C)c1 872355970 VJOWVFCYYVLLLZ-DLKBQMJCSA-N 246.354 2.581 30 20 BFED COc1ccc(NC[C@@H](C)CCC#N)cc1CO 876850073 HJXRXQXBCMQXSP-NSHDSACASA-N 248.326 2.539 30 20 BFED C=CC(C)(C)CC(=O)Nc1cc(C2CC2)[nH]n1 878408574 BCGAWZZBTTYZEK-UHFFFAOYSA-N 233.315 2.828 30 20 BFED Cc1cc(CN2C[C@H]3C=C[C@H]2C3)ccc1C#N 880451974 WPSUQYMABYDGIO-ZFWWWQNUSA-N 224.307 2.627 30 20 BFED C=C/C=C\CCNC(=O)[C@](C)(C=C)CC 881567289 HWFXQHSFURQVPO-LJTDUEICSA-N 207.317 2.837 30 20 BFED C#CCCCN(CC(F)F)C1CCC1 887100491 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CC(C)[C@H](C#N)C=NN1CCCC[C@H]1C 1118530053 YNFDINZMRBPSFC-VXGBXAGGSA-N 207.321 2.642 30 20 BFED CCC(C#N)(CC)C(=O)OC[C@H](C)CSC 1122980027 INPSNBOZIMJXSW-JTQLQIEISA-N 243.372 2.859 30 20 BFED C=C[C@H](C(=O)NC[C@H]1C[C@H]1C)c1ccccc1 1123499961 ZGOGUQOHIRBNMX-BNOWGMLFSA-N 229.323 2.728 30 20 BFED C=CCCCC[C@H](C)NCC[C@H](C)NC 1326036045 OJLGKPBIZGMQNS-STQMWFEESA-N 212.381 2.709 30 20 BFED C#Cc1cccnc1N[C@@H]1CCC[C@H](F)C1 1327674361 NAQGFPHTRUPHON-NWDGAFQWSA-N 218.275 2.756 30 20 BFED C#CCNC(=O)c1ccc2c(c1)oc1ccccc12 1327836538 QLWHZQGRUASYHW-UHFFFAOYSA-N 249.269 2.949 30 20 BFED C[C@H](N(C)C(=O)c1csc(C#N)c1)C1(C)CC1 1327983131 OQKXGLKXEAFKJN-VIFPVBQESA-N 248.351 2.880 30 20 BFED C#Cc1ccc(N[C@H](CC)C2CCOCC2)nc1 1337794094 BKDJFHKRISUNLJ-CQSZACIVSA-N 244.338 2.680 30 20 BFED CC[C@H](C#N)N(CC)C(=O)[C@H]1C[C@@]1(C)C(C)C 1339195340 KGMGRGVYBXUFCU-BZPMIXESSA-N 236.359 2.819 30 20 BFED C=CCC[C@@H]1CCCN1c1cccc(C#N)n1 1339872922 SSZHHLGVVQICPL-CYBMUJFWSA-N 227.311 2.888 30 20 BFED N#C[C@@H]1CC[C@@H](NCc2cccc3cc[nH]c23)C1 1344575431 WMCSXTPGUIQYSU-BXUZGUMPSA-N 239.322 2.950 30 20 BFED Cc1ccccc1[C@H](C)C(=O)O[C@@H](C)CC#N 1347053312 YPOCSFLFDSXQSH-RYUDHWBXSA-N 231.295 2.944 30 20 BFED C=C(CC)C(=O)Nc1scnc1CC 1351676256 JRYQBHJLCYFSRQ-UHFFFAOYSA-N 210.302 2.610 30 20 BFED C#CCC[C@@H](C)OC(=O)c1ccc(C#N)cc1F 1519095187 RCAPBOZWXWPDSP-SNVBAGLBSA-N 245.253 2.656 30 20 BFED C=C[C@H](CC)OC(=O)c1cc(C)nc(C)c1 1525129269 SQYOOMZDQVRNQD-GFCCVEGCSA-N 219.284 2.820 30 20 BFED C=C[C@@H](N[C@@H]1CCCc2ccc(C)cc21)C(=O)O 1588702346 QQKHEILCPGLYJY-ZIAGYGMSSA-N 245.322 2.601 30 20 BFED C=CCN(C[C@@H]1CCCC[C@H]1C(=O)O)C(C)C 1602887588 BENZXGZYECVRDV-QWHCGFSZSA-N 239.359 2.774 30 20 BFED CC[C@H](C#N)C(=O)N(CC(C)C)CC(C)C 44824117 LSOURNCQAQMRDJ-GFCCVEGCSA-N 224.348 2.677 30 20 BFED CC[C@@H](C#N)C(=O)N1CCC[C@H]1C1CCCC1 45088850 PBTOUMJYAMFHBV-AAEUAGOBSA-N 234.343 2.717 30 20 BFED CC(C)CNc1snc(Cl)c1C#N 47405210 TXASUVRRSUFCLP-UHFFFAOYSA-N 215.709 2.736 30 20 BFED C[C@H](c1ccc(F)cc1)N(C)CCC#N 52869784 DYJOVOCJJSOUQP-SNVBAGLBSA-N 206.264 2.732 30 20 BFED Cc1ccc(C(=O)N2CCC[C@H](C#N)C2)cc1C 57533909 UEJDKYDADIJYTJ-CYBMUJFWSA-N 242.322 2.679 30 20 BFED C=CCCNC1CCN(Cc2ccccc2)CC1 71275375 NTINZMADDLKFRM-UHFFFAOYSA-N 244.382 2.817 30 20 BFED C=CCCc1csc(-c2cnccn2)n1 90065533 ZOKKOUHWSFCENJ-UHFFFAOYSA-N 217.297 2.719 30 20 BFED N#CC1(NC(=O)c2coc3ccccc23)CCC1 113157162 SMHHBEPYULGKFN-UHFFFAOYSA-N 240.262 2.609 30 20 BFED C#CCSCCN[C@@H](CC)Cc1ccccc1 119098630 GTSKZOIBOLFZBO-HNNXBMFYSA-N 247.407 2.964 30 20 BFED C[C@H](CC#N)OC(=O)c1cccc2c1ccn2C 119315922 BIVLDAFBMFWMEW-SNVBAGLBSA-N 242.278 2.637 30 20 BFED CC#CCN1CCC(Nc2cccc(C)c2)CC1 121955224 XAAJTRRJKUZBTO-UHFFFAOYSA-N 242.366 2.895 30 20 BFED C[C@@H](NCC(C)(C)C#N)c1ccc(N(C)C)cc1 122243917 UENZUWWOSHFJHO-GFCCVEGCSA-N 245.370 2.953 30 20 BFED C[C@@H](CC#N)OC(=O)c1ccc(C#N)c(Cl)c1 124775905 RSVPJPBWTMCABB-QMMMGPOBSA-N 248.669 2.671 30 20 BFED CC[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 125344581 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C=C(C)CNCc1ccc(N(C)C(C)C)nc1 191539958 QIDRHHSDIWYSPX-UHFFFAOYSA-N 233.359 2.592 30 20 BFED CC1(C)CCN(Cc2ccc(C#N)c(F)c2)C1 192048336 NHWMXJZBLICTOP-UHFFFAOYSA-N 232.302 2.929 30 20 BFED C#CCN(C)Cc1cc(Cl)ccc1F 192239687 MDUYKWHTIQNASG-UHFFFAOYSA-N 211.667 2.544 30 20 BFED C=CCCO[C@@H](C)C(=O)NC1(C)CCCCC1 194430213 QVQZSCXTJZGVLJ-LBPRGKRZSA-N 239.359 2.807 30 20 BFED C[C@H](NCC[C@H]1CCOC1)c1ccc(C#N)cc1 230060984 KXSULQSHTJQLPU-JSGCOSHPSA-N 244.338 2.635 30 20 BFED N#Cc1ccncc1NC1Cc2ccccc2C1 231039057 GCJOTJPOUBZKOS-UHFFFAOYSA-N 235.290 2.533 30 20 BFED CCCCN(CCO)CCCCC(C)(C)C#N 232955912 JRGLLOPAPAMYTI-UHFFFAOYSA-N 240.391 2.801 30 20 BFED C#C[C@@H](CC)NC(=O)/C=C/c1ccc(Cl)cc1 233892823 NYUGAQQFPKPCSE-RSPDNQDQSA-N 247.725 2.881 30 20 BFED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](C)CC#N 247005668 NMSPRYDCTVZZRC-KWCYVHTRSA-N 242.322 2.517 30 20 BFED C[C@@H]1CC[C@H](Nc2nccnc2C#N)C[C@H]1C 247029050 VISLAHHLSNCWIU-MXWKQRLJSA-N 230.315 2.585 30 20 BFED C[C@H](N[C@@H]1CCC[C@H]1C#N)c1ccc(C#N)cc1 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726651094 WTZWVWUWOGNTRJ-UHFFFAOYSA-N 215.252 2.568 30 20 BFED C#CCCOC(=O)Cc1ccc2c(c1)CCCC2 727043816 JTZRSNVPBPWLBC-UHFFFAOYSA-N 242.318 2.674 30 20 BFED C=CCN(C(C)C)[C@H](C)C(=O)OCCCC 741776830 HEMNPAWGRDZQOO-GFCCVEGCSA-N 227.348 2.615 30 20 BFED C=C(Cl)CN(CC)CCc1ccccn1 747671006 YOFYBGSKQFKJAQ-UHFFFAOYSA-N 224.735 2.699 30 20 BFED C#CCSCCNc1ccnc(C(C)(C)C)n1 749280802 GSBZSGHTFJKBST-UHFFFAOYSA-N 249.383 2.552 30 20 BFED CCCC(=NN[C@@H](C)CO)C1CCCCC1 749818598 ZLZHDQAHYUPEJV-NSHDSACASA-N 226.364 2.693 30 20 BFED C#CCCCCNC(=O)N(CC)CCC1CC1 760994252 CNYTVHCLVWAEOQ-UHFFFAOYSA-N 236.359 2.622 30 20 BFED COc1cc(F)ccc1NN=C(C)[C@H](C)OC 761885782 SOGNUWHWUFYZJZ-VIFPVBQESA-N 240.278 2.657 30 20 BFED C#CCCCN(CC)c1ccccc1OC 766917164 UIMIDCLUFJDVPC-UHFFFAOYSA-N 217.312 2.935 30 20 BFED COc1cc(OC(=O)C2(C)CCC2)ccc1C#N 767167368 QPMVDOISZNZZQQ-UHFFFAOYSA-N 245.278 2.662 30 20 BFED C[C@@H](CO)NN=C1C[C@H](c2ccccc2)C1(C)C 768484738 KCUCAOLYGOVSMG-WCQYABFASA-N 246.354 2.527 30 20 BFED C=CCCCOC(=O)c1cnccc1C 768799472 JYORDLWODOEPRB-UHFFFAOYSA-N 205.257 2.513 30 20 BFED c1ccc(NN=C2CC3(CCC3)C2)nc1 772836630 BXYANFLEVFTPDB-UHFFFAOYSA-N 201.273 2.814 30 20 BFED CC1=CCC[C@@H](C)[C@H]1C=NNc1cccnn1 773203123 JXQCANQNNPWEDN-NEPJUHHUSA-N 230.315 2.867 30 20 BFED COC[C@@H](C)NN=C(C)c1ccc(Cl)s1 777894587 LJOCGJWHUOJILF-SSDOTTSWSA-N 246.763 2.750 30 20 BFED CC/C(C)=C(/C)C(=O)NCCCCC#N 779913825 LQRGMESDMCKXCC-KHPPLWFESA-N 208.305 2.543 30 20 BFED CC/C(C)=C(/C)C(=O)Nc1cc(C#N)ccc1O 780994986 XSMBSCSJLFVVAH-KTKRTIGZSA-N 244.294 2.949 30 20 BFED C=CCCCCCSCCN1CCOC1=O 783488535 WELDCTCZPCECRH-UHFFFAOYSA-N 243.372 2.918 30 20 BFED Fc1ccc2c(c1)CCC2=NOC[C@H]1CCOC1 788037015 PWDNPRAIVJHPEL-JTQLQIEISA-N 249.285 2.529 30 20 BFED Cc1ncccc1C=NNCC1(C)CCCC1 793081200 IIFLBJIIRVMTRI-UHFFFAOYSA-N 231.343 2.894 30 20 BFED CCC[C@](C)(CC)C(=O)Nc1cnn(CC#N)c1 793288529 KMMJWZKQVAVPNJ-ZDUSSCGKSA-N 248.330 2.562 30 20 BFED C=CCNN=Cc1ccc([C@H]2C[C@H]2C)o1 794998401 KFBNBHSOBFSSRR-KOLCDFICSA-N 204.273 2.513 30 20 BFED C=CCNN=C(Cc1ccccc1)C1CC1 794999909 SGBMBFDSJXLBJW-UHFFFAOYSA-N 214.312 2.771 30 20 BFED CCCCCCCCN1CC[C@](C)(C(N)=O)C1 796574966 JYSGETWPOWANSD-AWEZNQCLSA-N 240.391 2.544 30 20 BFED C[C@@H](C=NNc1cnccn1)C(C)(C)C 800809896 IDPKRYCUOQGZSQ-VIFPVBQESA-N 206.293 2.557 30 20 BFED C[C@H](C#N)OCCN(C)CCC1CCCCC1 801917129 QVJZLPRJOCBWTN-CYBMUJFWSA-N 238.375 2.817 30 20 BFED C#C[C@H](C)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 809684256 UXLNIEJZWJNULZ-NSHDSACASA-N 246.310 2.830 30 20 BFED C=CCCCCOC(=O)c1ccnc(C)c1 811010359 QNWMYIXAPVAZTE-UHFFFAOYSA-N 219.284 2.903 30 20 BFED C=CCCCCOC(=O)[C@@H]1CCSC1 811011431 WNOSKYBDYWIBID-SNVBAGLBSA-N 214.330 2.639 30 20 BFED CCc1nc(C=NOC/C=C/Cl)cs1 811669495 PUQGQQKGNMCMED-GAUFXNGNSA-N 230.720 2.809 30 20 BFED C=C(C)CN(C)Cn1nc(C(F)(F)F)cc1C 811761721 NOELCEYZQAFNKH-UHFFFAOYSA-N 247.264 2.676 30 20 BFED CCSCOc1cc(C#N)cc(OC)c1 814760718 CARQFCKHNSSONG-UHFFFAOYSA-N 223.297 2.656 30 20 BFED CC(C)CON=C1CCCC[C@@H]1CCCO 814883962 KAJXMHZOANLFMP-GFCCVEGCSA-N 227.348 2.978 30 20 BFED C[C@H]1SCCC1=NOCCC(F)(F)F 814909691 JOSZSTUKAUIFLV-ZCFIWIBFSA-N 227.251 2.837 30 20 BFED C#C[C@@H](CC)OC(=O)c1cccc(F)c1C 817726196 CLSITDXNIXFGOY-JTQLQIEISA-N 220.243 2.703 30 20 BFED C=C(C)C(C)(C)C(=O)O[C@@H](C)c1noc(C)n1 820865103 OYKSJOVLQGOVHB-QMMMGPOBSA-N 238.287 2.585 30 20 BFED C#CCCCCCC(=O)OC[C@@]1(C)C[C@@H]1F 822128371 GUWZKILLGJXTSJ-WCQYABFASA-N 226.291 2.861 30 20 BFED CCCCCCCN1CCN(C)C[C@@H]1CC 823200332 UEWLLDWGVHGUPX-AWEZNQCLSA-N 226.408 2.983 30 20 BFED C#Cc1cccc(CN[C@H](C)C2CCOCC2)c1 825225789 ADKXCBKEVYBUPP-CYBMUJFWSA-N 243.350 2.573 30 20 BFED C#C[C@@H](CCC)NC(=O)/C=C(\C)c1ccco1 834364414 ZOMLVUBLZNNZHM-IIANPFDCSA-N 231.295 2.601 30 20 BFED CC(C)C#CC(=O)N(C)c1ccc2cc[nH]c2c1 834778615 RPJSHHBEYVMGEM-UHFFFAOYSA-N 240.306 2.790 30 20 BFED C(=NNc1ccncn1)C1CCCCCC1 835001390 HUSFTILMXBSYHU-UHFFFAOYSA-N 218.304 2.845 30 20 BFED CC[C@@H](C)CC=NNc1ccc(C(=O)O)nc1 835010295 WNMVAHPOCBBEDM-SECBINFHSA-N 235.287 2.614 30 20 BFED C=CCON=C1CCc2ccc(F)cc21 835016303 SLRCAYQQIIQRQG-UHFFFAOYSA-N 205.232 2.679 30 20 BFED CCC1CN(Cc2ccc(O[C@H](C)C#N)cc2)C1 835074449 IWQBZQYHPSNNDE-GFCCVEGCSA-N 244.338 2.819 30 20 BFED CC[C@H](C)[C@H](CC)OC(=O)c1cccc(C#N)n1 835587705 HCRGRWJJFVBKBF-GWCFXTLKSA-N 246.310 2.935 30 20 BFED C=C(CC)CNC(=O)c1ccc(Cl)nc1C 837099461 VJNMFZUIQXINKY-UHFFFAOYSA-N 238.718 2.739 30 20 BFED C[C@H](NC(=O)C#CC1CC1)c1ccc(Cl)cc1 837312321 MTJNQSFZONFPJL-JTQLQIEISA-N 247.725 2.931 30 20 BFED CCCCN(C(=O)C#CC1CC1)[C@H](C)CC 837401874 KHUYPFLNODEYIR-GFCCVEGCSA-N 221.344 2.827 30 20 BFED Cc1ccc(C[C@@H](C)NC(=O)C#CC2CC2)s1 837429453 FDTICVZMBAGVDR-SNVBAGLBSA-N 247.363 2.517 30 20 BFED C[C@@H](NC(=O)C#CC1CC1)[C@H](C)c1ccccc1 837453044 LZRBVPJOWQKZEU-QWHCGFSZSA-N 241.334 2.708 30 20 BFED C=CCCCCOC(=O)c1ccc(N)cc1F 837596296 LKPQRKCUHBFDSH-UHFFFAOYSA-N 237.274 2.921 30 20 BFED C#CCC[C@H](C)OC(=O)Cc1cccc(OC)c1 839032946 VXTJJCPJWKYZRQ-LBPRGKRZSA-N 246.306 2.583 30 20 BFED C#CCC[C@@H](C)OC(=O)c1cccnc1C1CC1 839044002 XEVYTAXGGQKYLC-LLVKDONJSA-N 243.306 2.918 30 20 BFED CC(C)[C@@H]1C[C@H]1C/N=C/c1cccc(O)c1O 840708277 FAQUJSMHXOHSOF-WVVQMSQFSA-N 233.311 2.809 30 20 BFED CCC(=NNc1nccnc1Cl)[C@@H]1C[C@@H]1C 841627005 VRKUBRMSTHJPCI-JGVFFNPUSA-N 238.722 2.964 30 20 BFED CCCON=Cc1cn(C)nc1-c1ccc(C)o1 842555422 NZMJUHIUFCEGQN-UHFFFAOYSA-N 247.298 2.749 30 20 BFED C=C(C)CONC(=O)Nc1ccc(CC)cc1 844483609 UKCPTYRRXBXOHV-UHFFFAOYSA-N 234.299 2.878 30 20 BFED C=C[C@@H](C)ON=CCCC1CCOCC1 844622378 YKEYIOGUDLPHPA-LLVKDONJSA-N 211.305 2.770 30 20 BFED C=CCCCCCCNC(=O)NO[C@@H](C)C=C 845616720 LSFNHIAWMXNIJS-LBPRGKRZSA-N 240.347 2.928 30 20 BFED C=C[C@H](C)ONC(=O)NCc1ccc(C)cc1C 845637771 FBVAGDNFVCODLG-LBPRGKRZSA-N 248.326 2.609 30 20 BFED CC(C)CC=NNc1ccc(CC(=O)O)cc1 848415553 OJJLYQFFOAQERY-UHFFFAOYSA-N 234.299 2.758 30 20 BFED C#C[C@](C)(CC)NCCOc1ccccc1F 852096602 CQKAJGCPYRXELE-CQSZACIVSA-N 235.302 2.596 30 20 BFED C#CC1CCC(=NNc2ccc(Cl)nn2)CC1 853259634 LRZULXIWIFYLPE-UHFFFAOYSA-N 248.717 2.721 30 20 BFED Cn1cc(C=NOCC2CCC2)c(C(F)F)n1 853441165 PIDWUFPRBKCLLD-UHFFFAOYSA-N 243.257 2.508 30 20 BFED C=CC[C@@H]1CCCN(Cn2cccnc2=S)C1 853536327 AJZDVZXNLQRCDK-GFCCVEGCSA-N 249.383 2.858 30 20 BFED C#Cc1cccnc1N[C@H](C)CN(C)CCCC 853638015 XUILCHKDMDCHKH-CYBMUJFWSA-N 245.370 2.595 30 20 BFED C=CCCNc1snc(Cl)c1C#N 853790456 FGKRBWKSOCVRRN-UHFFFAOYSA-N 213.693 2.656 30 20 BFED C#C[C@](C)(CC)NC(=O)c1cccc(OCC)c1 854701632 UBSNPWDYPHHCCS-OAHLLOKOSA-N 245.322 2.617 30 20 BFED C=CCCCC(=O)OCc1ccnc(C)c1 856932242 QMWLJTMPDILXJP-UHFFFAOYSA-N 219.284 2.790 30 20 BFED CCCC[C@H](C(=O)O[C@H](C#N)COC)C(C)C 856977554 TZIORIQYZUHZKZ-NEPJUHHUSA-N 241.331 2.531 30 20 BFED C=CC(C)(C)COC(=O)[C@@H](OCC)C1CC1 860806922 MXLVHEDFQACGBF-NSHDSACASA-N 226.316 2.557 30 20 BFED CCCOc1ccc(NC(=O)[C@@H](C)C#N)cc1C 863528282 IQAHTODILBYRBE-NSHDSACASA-N 246.310 2.882 30 20 BFED C=CCCc1noc(Cc2ccc(Cl)cn2)n1 871848162 CHJIJZUMDOKISA-UHFFFAOYSA-N 249.701 2.827 30 20 BFED C=CC(C)(C)CC(=O)Nc1cnccc1C 888816762 GLPBMCRWMKLUMU-UHFFFAOYSA-N 218.300 2.931 30 20 BFED C=C1CCC(C(=O)N[C@@H]2CCS[C@@H]2C)CC1 892298713 NFYGVCNMYQQTTP-ZYHUDNBSSA-N 239.384 2.743 30 20 BFED N#CCCCC(=O)Nc1nsc2ccccc12 892436888 DTDNSCXAMYFALE-UHFFFAOYSA-N 245.307 2.929 30 20 BFED Cc1cc(C#N)nc(N2CC[C@H](C)[C@H](C)C2)c1 893057322 VNNVOTQMLJQCON-NWDGAFQWSA-N 229.327 2.744 30 20 BFED C=CCC(CC=C)C(=O)OCC#CCC 893839094 KAHKKIWJYIGIMR-UHFFFAOYSA-N 206.285 2.711 30 20 BFED Cc1nc(CNCC(C)(C)CC#N)sc1C 894855631 MLFYORVFSYMHSJ-UHFFFAOYSA-N 237.372 2.789 30 20 BFED C=CCCCC[C@H](C)NC[C@@H]1CC(C)=NO1 895299233 AFBXKIBAPLIUBZ-AAEUAGOBSA-N 224.348 2.876 30 20 BFED C=C1CCC(C(=O)N[C@H]2CC2(C)C)CC1 897971950 GLXKKVHAAUEBPU-NSHDSACASA-N 207.317 2.648 30 20 BFED C=C1CN(C(=O)CC2CCCCCC2)C1 898698318 KALRDVPXXNTWFV-UHFFFAOYSA-N 207.317 2.745 30 20 BFED N#C[C@@H](CCc1ccccc1)SC1COC1 901632876 QKMNMVRIMGLHMJ-GFCCVEGCSA-N 233.336 2.643 30 20 BFED C/C(Cl)=C\C(=O)NCCC#C[Si](C)(C)C 912330994 XXPGYJSPYYGZFJ-MDZDMXLPSA-N 243.810 2.516 30 20 BFED CC(C)C/N=C(/NCC1CCC1)NC(C)(C)C 912509470 HJOGYXHVFABQDS-UHFFFAOYSA-N 239.407 2.776 30 20 BFED CC[C@H](C)C(C)=NNc1ccc(Cl)nn1 916288343 XLTYPTDWZUPNLQ-ZETCQYMHSA-N 226.711 2.964 30 20 BFED C=C(Cl)COC(=O)c1ccc(F)cc1 916610050 OIDMESPFGYWYQD-UHFFFAOYSA-N 214.623 2.735 30 20 BFED C#CCN1CCC[C@H](c2cc3ccccc3[nH]2)C1 917134720 ZPMYZYHRYQJPJT-AWEZNQCLSA-N 238.334 2.981 30 20 BFED C=CCC[C@H](N[C@H]1C[C@H](CO)C1)c1ccco1 927147485 LJOKJEKVSHCWPG-AVGNSLFASA-N 235.327 2.647 30 20 BFED Cc1ccc(C#N)cc1C(=O)N1CCCCCC1 929098383 TUDDBYHZXOQJQN-UHFFFAOYSA-N 242.322 2.883 30 20 BFED N#CC[C@H](OC(=O)[C@@H]1CC12CCC2)c1ccco1 1123462983 PDIWVEWEQUVUQN-JQWIXIFHSA-N 245.278 2.968 30 20 BFED C=C(CC)C(=O)N(C)[C@@H]1CC[C@H](SC)C1 1263752137 WJJFQVDWULOEFO-MNOVXSKESA-N 227.373 2.695 30 20 BFED N#CCNC(=O)c1ccc(-c2cccs2)s1 1320137248 QCFPFUVDYHQZBN-UHFFFAOYSA-N 248.332 2.730 30 20 BFED N#Cc1cccc(CC(=O)OCC2CC=CC2)c1 1327954960 PJDKNYGDFQBLCH-UHFFFAOYSA-N 241.290 2.610 30 20 BFED Cc1coc(C(=O)N(CC#N)C2CCCC2)c1C 1329461748 FNEHTFIVVGWVMB-UHFFFAOYSA-N 246.310 2.805 30 20 BFED C=CCN(C)c1nnc(CCC2CCCC2)n1C 1339904030 SIXRQUGYIFLFBC-UHFFFAOYSA-N 248.374 2.560 30 20 BFED C#CC[C@@H](C)OC(=O)CCCC(=O)C(C)(C)C 1524745148 ALTIIWVHUYKUAD-LLVKDONJSA-N 238.327 2.727 30 20 BFED C=CCCCCN1C[C@@H](C(=O)O)CC[C@@H]1C 1573328670 LSKSYHPLFXONLL-RYUDHWBXSA-N 225.332 2.528 30 20 BFED C=C(CC)CNc1ccc(C(=O)O)cc1OC 1609259370 MAVOQXCWVFULRV-UHFFFAOYSA-N 235.283 2.772 30 20 BFED C#CCCOc1ccc(C(=O)CC)cc1 19435974 UIXDKHFKLRITRK-UHFFFAOYSA-N 202.253 2.681 30 20 BFED CC[C@@H](C#N)NC(=O)c1ccc2ccccc2c1 40351557 UEQHGBQJHFUHMD-AWEZNQCLSA-N 238.290 2.872 30 20 BFED C=C(Br)CNC[C@H]1CC=CCC1 45630254 DELPHMOUOMDJBV-JTQLQIEISA-N 230.149 2.841 30 20 BFED N#CCCNC(=O)c1cc2ccccc2s1 48521435 LCCCYYHQFKVRRN-UHFFFAOYSA-N 230.292 2.545 30 20 BFED CC#CCOc1c(C(=O)O)ccc2ccccc12 51662203 DJCHSMXGPKSWCB-UHFFFAOYSA-N 240.258 2.940 30 20 BFED CC[C@H](CC#N)NC(=O)Nc1ccc(C)cc1 54178278 DIEAWDVNWFYMFA-LLVKDONJSA-N 231.299 2.809 30 20 BFED C[C@H](Cc1cccs1)NCCCC#N 70851216 AJJQISQUBZNMPH-SNVBAGLBSA-N 208.330 2.572 30 20 BFED C=CCN(CC=C)C(=O)N[C@@H]1CCC[C@@H](C)C1 79516750 XAPHVYMZUFZCQN-CHWSQXEVSA-N 236.359 2.949 30 20 BFED N#Cc1ccnc(N2CCc3ccccc3CC2)c1 79573114 OXVWLXFLODXCPG-UHFFFAOYSA-N 249.317 2.558 30 20 BFED CC[C@@H](COC)Nc1ccc(C#N)cc1F 79745380 IAXSGFZRRPZWGH-JTQLQIEISA-N 222.263 2.534 30 20 BFED O=CC1(c2ccccc2Br)CC1 84423478 DJGQUBPCXVUKMN-UHFFFAOYSA-N 225.085 2.680 30 20 BFED CCOc1cccc(CN(C)[C@@H](C)CC#N)c1 93090381 OCKRJDUDVAIBMV-LBPRGKRZSA-N 232.327 2.819 30 20 BFED C=CC1CCN(C(=O)c2cccs2)CC1 110366180 MWBHJWDSEOIPRL-UHFFFAOYSA-N 221.325 2.786 30 20 BFED N#Cc1ccnc(SCCc2cccnc2)c1 114097909 QCOFYRHRWKHMIY-UHFFFAOYSA-N 241.319 2.683 30 20 BFED Cc1cccc([C@H](C)C(=O)N(C)[C@H](C)CC#N)c1 121251202 GSWFNIMHHCUZSU-OLZOCXBDSA-N 244.338 2.859 30 20 BFED CC(C)[C@H]1CCc2ccccc2N1CC#N 122974094 COSSVXLNNVWLIB-CYBMUJFWSA-N 214.312 2.987 30 20 BFED C=CCCCN1CCc2c(cccc2C(=O)O)C1 124561914 AHRGXNUYYJECBS-UHFFFAOYSA-N 245.322 2.709 30 20 BFED C=CCOC(=O)c1cc(F)c(C)cc1F 124665303 YYICILRBNWAYEO-UHFFFAOYSA-N 212.195 2.616 30 20 BFED CC#CCN[C@@H](c1ccccc1)C(C)C 126119905 ZGFACEQWVIVHTA-CQSZACIVSA-N 201.313 2.997 30 20 BFED CC[C@H](SC)C(=O)N(C)c1cccc(C#N)c1 127704583 XAVWRPYRYLXIPW-LBPRGKRZSA-N 248.351 2.663 30 20 BFED CCN(CCC#N)C(=O)c1cc(C)cc(F)c1 134806699 JTHDZZATKPUVNP-UHFFFAOYSA-N 234.274 2.510 30 20 BFED C#CCCCCNC(=O)[C@@H](CCC)C(C)C 134863235 OMVZLQULSIVLCM-ZDUSSCGKSA-N 223.360 2.978 30 20 BFED CCC(=O)c1cccc(N[C@H](C)C#N)c1 135069060 JGNZZYBYNKPZHH-SECBINFHSA-N 202.257 2.603 30 20 BFED N#Cc1ccc(NC2(CO)CCC2)c(Cl)c1 135608720 BXGHYOHNVSJZDP-UHFFFAOYSA-N 236.702 2.539 30 20 BFED C=C(C)C(C)(C)C(=O)N1CC2CCC1CC2 146763082 SOGFIHLBORGRIG-UHFFFAOYSA-N 221.344 2.990 30 20 BFED C=CCN(C)C(=O)Nc1cc(F)c(F)cc1F 157340540 BTNQVISMPSSNFB-UHFFFAOYSA-N 244.216 2.754 30 20 BFED C=CCN(C)C(=O)c1ccc(Cl)c(OC)c1 161877502 HHINLWUDNJNZES-UHFFFAOYSA-N 239.702 2.607 30 20 BFED C=C(C)COC(=O)c1cnc(C(C)C)s1 178846060 TYTCSEMQZXHRCD-UHFFFAOYSA-N 225.313 2.999 30 20 BFED CC(C)n1cc(CN(CCC#N)CC2CC2)cn1 179453996 NVHTUVBMOBJHPJ-UHFFFAOYSA-N 246.358 2.590 30 20 BFED C=CCCC[C@H](C)NC(=O)Nc1cc(C)on1 181041734 UJXYRFLSPPKNKK-VIFPVBQESA-N 237.303 2.849 30 20 BFED CCC/C(N)=N/OCc1ccc(F)cc1C 182926522 ZMSNKEIHOSLGRD-UHFFFAOYSA-N 224.279 2.723 30 20 BFED CC#CCCN1CCO[C@@H](c2cccc(F)c2)C1 185014094 WIOYOUQAXGEODK-OAHLLOKOSA-N 247.313 2.612 30 20 BFED C#CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](C)C1 185096259 RETYCNYVYOBPSS-NWDGAFQWSA-N 221.344 2.731 30 20 BFED COc1ccc(N[C@@H]2CCC[C@H](C#N)C2)c(C)n1 185868584 SGXCTFQQRIKYMR-NWDGAFQWSA-N 245.326 2.893 30 20 BFED C=C(C)CN(C)C(=O)C[C@@H]1CCC[C@H]1C 185997433 UKHXYHFGORBLSP-NEPJUHHUSA-N 209.333 2.847 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1ccnc(C)c1 188391934 PPABYMWEQDBINP-CYBMUJFWSA-N 218.300 2.931 30 20 BFED C=CCOc1cccc(CNc2cccnn2)c1 191837366 QCGOHOLNPKIYKL-UHFFFAOYSA-N 241.294 2.654 30 20 BFED CC(C)Sc1ccc(C(=O)N[C@H](C)C#N)cc1 195442487 PHTHFXIACOTTIS-SNVBAGLBSA-N 248.351 2.829 30 20 BFED C[C@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@@H]1C 229751139 ATIUXEINNAVURC-QWRGUYRKSA-N 232.302 2.785 30 20 BFED C=CCSCCN[C@@H]1C[C@@H](N)c2ccccc21 231932915 OYAGGCNVIXOVBE-ZIAGYGMSSA-N 248.395 2.640 30 20 BFED COc1cc(C#N)c(Cl)cc1Br 238463099 FKUIPWFDZKJEOP-UHFFFAOYSA-N 246.491 2.983 30 20 BFED Cc1c(Br)cccc1[C@@H](N)CC#N 238507037 ZEZDEJOAPSZJFG-JTQLQIEISA-N 239.116 2.671 30 20 BFED C=CCCC(=O)NCc1ccc(F)c(F)c1 263710899 WHPIYLOHEJWKDB-UHFFFAOYSA-N 225.238 2.547 30 20 BFED Cc1ccc(C/N=C(\N)NCCC(C)C)s1 264122949 RJPJCZNLYIRKNS-UHFFFAOYSA-N 239.388 2.507 30 20 BFED C#CC(C)(C)NC(=O)C[C@@H](C)c1ccccc1 265020111 IGQBUFFKIMJONM-GFCCVEGCSA-N 229.323 2.708 30 20 BFED Cc1ccc(CN(C)C[C@H](C)C#N)cc1F 271116795 FTHSIUUWJBQAIR-SNVBAGLBSA-N 220.291 2.726 30 20 BFED C=C(C)CN(CC)C(=O)CCc1ccc(O)cc1 272624723 SAFGAZVWPGDIOQ-UHFFFAOYSA-N 247.338 2.749 30 20 BFED CC#CC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 277649170 KSVHRQNRPQNWBV-LLVKDONJSA-N 249.741 2.753 30 20 BFED C=C[C@](C)(O)CC(=O)Nc1ccc(C)c(C)c1 278586008 JZDXSYBJDPVAQW-AWEZNQCLSA-N 233.311 2.569 30 20 BFED CN(Cc1ccccc1O)[C@@H]1CC[C@H](C#N)C1 278709410 UHRDVIMHEVZPNX-WCQYABFASA-N 230.311 2.516 30 20 BFED Cc1ccc(NC(=O)CC(C)(C)C#N)c(O)c1 278895805 XYMVWKZCMBNAHO-UHFFFAOYSA-N 232.283 2.579 30 20 BFED CC[C@](C)(C#N)C(=O)Nc1ccc(O)cc1C 285793538 PCZFOPCZNWRNKR-CYBMUJFWSA-N 232.283 2.579 30 20 BFED C=CCCC(=O)Nc1ccc(F)c([C@@H](C)O)c1 286339672 LXXFWVYHBPVEIL-SECBINFHSA-N 237.274 2.784 30 20 BFED C=C(CNC(=O)[C@@H](CC)SC)c1ccccc1 286807552 TYELBCAEKAQBPE-CYBMUJFWSA-N 249.379 2.958 30 20 BFED C=CCOCCN(C)Cc1ccc(OC)c(C)c1 293235116 WEWUEEKJXAXJPI-UHFFFAOYSA-N 249.354 2.638 30 20 BFED C=CC(C)(C)C(=O)Nc1nnc(CCC)s1 294665838 WTIRUJBVDCJUKE-UHFFFAOYSA-N 239.344 2.641 30 20 BFED N#Cc1c(Cl)cccc1NCC1=CCCOC1 295631362 CCKBRGNEBQPRRV-UHFFFAOYSA-N 248.713 2.970 30 20 BFED C=CCNC(=O)NCc1cc(C2CC2)ccc1F 296239781 RAAPCJBULHVGEQ-UHFFFAOYSA-N 248.301 2.688 30 20 BFED CCN(CC#N)[C@@H](C)c1cc([N+](=O)[O-])ccc1C 298022185 DHGUWUVEZXVDCF-NSHDSACASA-N 247.298 2.810 30 20 BFED C=C[C@@H](Nc1ccc(C)c(CC)c1)C(=O)O 300897842 POLSXBVOMRCFLE-GFCCVEGCSA-N 219.284 2.609 30 20 BFED C#C[C@@H](NC[C@H]1C[C@H]2CC[C@H]1C2)C(C)C 300989919 VKRDRHSATJZMEW-IGQOVBAYSA-N 205.345 2.670 30 20 BFED COCCNc1ccc(C#N)cc1C(F)(F)F 301352843 WSGXALADKQLNIU-UHFFFAOYSA-N 244.216 2.635 30 20 BFED C[C@H]1CCCN(c2c(C#N)cccc2C#N)C1 302482551 WWRZUAOBYQNXSI-NSHDSACASA-N 225.295 2.666 30 20 BFED Cc1cc(C)c(C/N=C(/N)NC(C)(C)C)c(C)c1 303904685 VDLTUOKCCLVHBE-UHFFFAOYSA-N 247.386 2.815 30 20 BFED CC1(C)OB(C2=CC[C@H](C=O)CC2)OC1(C)C 307573440 DWUFHGNKEUDZDC-JTQLQIEISA-N 236.120 2.543 30 20 BFED CC[C@@H](CC(C)C)C(=O)NCCCCC#N 308086032 HLLGBCZZKHGGNO-LBPRGKRZSA-N 224.348 2.869 30 20 BFED CCCC[C@H](C)N(C)C(=O)C(C)(C)C#N 308812852 HTUIMLCBVGLNHI-JTQLQIEISA-N 210.321 2.573 30 20 BFED C=C[C@@H](C)NC1CCC2(CCCO2)CC1 308896826 ZSPIDCMDKLLXFV-PNESKVBLSA-N 209.333 2.642 30 20 BFED C=CC[C@H](C)Nc1ncc(C(=O)OCC)s1 309189475 AXVHMVHSTBMDPD-QMMMGPOBSA-N 240.328 2.696 30 20 BFED N#C[C@H]1CCC[C@H](NCC2CCSCC2)C1 309544476 ZEVGTFVVPWIARI-STQMWFEESA-N 238.400 2.802 30 20 BFED C=C[C@H](COC)NCc1cnc(C(C)C)s1 309990477 ZYLRSKIVIRDKIR-SNVBAGLBSA-N 240.372 2.557 30 20 BFED C=CCCN[C@@H]1[C@@H](C)[C@@H](OC)C1(CC)CC 310016696 LDPWBWZQRZQLSL-JHJVBQTASA-N 225.376 2.992 30 20 BFED C=CCC[C@@H](CO)N[C@H](C)c1ccccc1C 320650275 OVYUEDNEIPXUDQ-KGLIPLIRSA-N 233.355 2.973 30 20 BFED OC(=Nc1ccc2nc[nH]c2c1)[C@@H]1CCCOC1 328857977 YBNMPHDLZVFASU-SECBINFHSA-N 245.282 2.578 30 20 BFED CC[C@@H](/N=C(/O)c1oc(C)nc1C)C(F)F 331340985 SJWRUDDNMMJLSB-SSDOTTSWSA-N 232.230 2.640 30 20 BFED C[C@H]1CCC[C@@H](NC(=O)CCCC#N)CC1 331907308 FPFCXVUYOPESLH-NWDGAFQWSA-N 222.332 2.765 30 20 BFED CC(C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)(C)C 332495336 RSZMYBDKTNJMCT-GXFFZTMASA-N 224.348 2.723 30 20 BFED CC(C)[C@@H](C#N)NC(=O)C1CCC(C)(C)CC1 334145741 ZNUAZRMRIKQDMH-GFCCVEGCSA-N 236.359 2.867 30 20 BFED CC#CCNC(=O)c1[nH]c2ccccc2c1Cl 334332881 RZNRHIJNHRNJSE-UHFFFAOYSA-N 246.697 2.574 30 20 BFED CC(C)C1CCN(CC2(C#N)CC2)CC1 334524046 URYXQDPPLCHBKC-UHFFFAOYSA-N 206.333 2.658 30 20 BFED C[C@H]1CCC[C@@H]1C(=O)N1CCC(CC#N)CC1 335141478 GKJSODJVPZHNAC-AAEUAGOBSA-N 234.343 2.575 30 20 BFED CN(CC(C)(C)C#N)C(=O)[C@@H]1CC12CCCCC2 335353939 ZDDUJRFOYQQJDC-LBPRGKRZSA-N 248.370 2.965 30 20 BFED C=C[C@H](C)NC(=O)c1ccc(F)cc1Cl 335686457 VBVYBBGGGGTQHL-ZETCQYMHSA-N 227.666 2.783 30 20 BFED N#Cc1cccnc1N1CC(C2CCCC2)C1 335818020 BCMVESQRVDIRBW-UHFFFAOYSA-N 227.311 2.580 30 20 BFED CN(CCC#N)C(=O)C1C[C@H]2CCC[C@H](C1)C2 335824191 SKCKKBNHCSYAQK-RYUDHWBXSA-N 234.343 2.575 30 20 BFED C=C[C@@H](C)NC(=O)[C@H]1CCCc2ccccc21 336348781 CHQCSZMVYSZDDZ-RISCZKNCSA-N 229.323 2.797 30 20 BFED C=C1CCN(C(=O)[C@H]2CCCC2(C)C)CC1 336451304 UJHNFSQSBRHRIR-GFCCVEGCSA-N 221.344 2.991 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@@H]1[C@H]2CCC[C@H]21 337104346 YMPMADZWOGPJQA-WYUUTHIRSA-N 207.317 2.503 30 20 BFED Cc1c(C#N)cccc1C(=O)Nc1cccnc1 337908199 WFJCPWNEJAQBBD-UHFFFAOYSA-N 237.262 2.514 30 20 BFED C=CCC[C@@H](O)CN1CCc2cc(F)ccc21 338349877 OSDVUILTITYAPQ-CYBMUJFWSA-N 235.302 2.515 30 20 BFED CCCN(CC#N)C(=O)C[C@@H](C)CC(C)C 340529541 KOJZRRDLQLNHID-LBPRGKRZSA-N 224.348 2.821 30 20 BFED C=C(CC)CNc1ccc2ccn(C)c(=O)c2c1 340606100 BPWDNJWZEKLSIN-UHFFFAOYSA-N 242.322 2.917 30 20 BFED N#CCCCNCc1c[nH]nc1-c1cccs1 344367173 UPZWURYPJUBMEL-UHFFFAOYSA-N 246.339 2.532 30 20 BFED CC#CCNc1ccc(-c2cncnc2)cc1 344481289 HIQQAUVMFIPQIF-UHFFFAOYSA-N 223.279 2.579 30 20 BFED CSCC[C@](C)(C#N)NC(=O)CC(C)(C)C 344716407 SAKJGJJAMRQTAX-GFCCVEGCSA-N 242.388 2.574 30 20 BFED C=CCCC1(C(=O)NCCSC(C)C)CC1 345514970 BTBIYOKXIZBMAK-UHFFFAOYSA-N 241.400 2.991 30 20 BFED C[C@H](Cc1ccc(O)cc1)NCC1(CC#N)CC1 353288611 RRABGEGRBIISNP-GFCCVEGCSA-N 244.338 2.607 30 20 BFED Cc1ccc(CCNc2ccc(C#N)nc2)cc1 357486451 OBCXPRHCSIWSFP-UHFFFAOYSA-N 237.306 2.916 30 20 BFED CCC(CC)NC(=O)[C@@H](C)c1cccc(C#N)c1 359839528 IXENSMHCKOYXAP-NSHDSACASA-N 244.338 2.967 30 20 BFED N#CCCCC(=O)NCCCC1CCCC1 359981864 SLRPBHPAYWQOCI-UHFFFAOYSA-N 222.332 2.767 30 20 BFED C=CCCC(=O)Nc1cnc2c(c1)CCCC2 360192601 FLIRBCXAAFJMQK-UHFFFAOYSA-N 230.311 2.865 30 20 BFED CC#CCCNC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 361220330 KOGRVZAHDNXPHP-JHJVBQTASA-N 236.359 2.524 30 20 BFED COC[C@H](C)Sc1ccc(C#N)cc1F 361364530 DGTSBUQEMGWCHH-QMMMGPOBSA-N 225.288 2.824 30 20 BFED CC#CCCNC(=O)NCC1(CC(C)C)CC1 361530624 ZNSUKUBDLBUJIN-UHFFFAOYSA-N 236.359 2.525 30 20 BFED C=CCCCCN[C@@H]1CCOC(C)(C)C1 389630785 MCHVXFKWSNWTTK-GFCCVEGCSA-N 211.349 2.890 30 20 BFED C=C[C@@H](COC)NCc1cc(C)cc(Cl)c1 393458310 IKWXEANXBKIXRJ-ZDUSSCGKSA-N 239.746 2.939 30 20 BFED Cc1cc(=N[C@H]2CC[C@H](C)CC2)c(C#N)c[nH]1 399672219 SPFVJEDVHHFRMT-MJHDQNEOSA-N 229.327 2.674 30 20 BFED CC[C@@H]1CCC[C@H](Nc2cncc(C#N)n2)C1 401269453 TZAAUTKSHNAEDE-MNOVXSKESA-N 230.315 2.729 30 20 BFED CCC[C@H](C#N)N(C)C(=O)c1ccc(F)c(C)c1 410826711 IZLQZNUTAUXNMR-GFCCVEGCSA-N 248.301 2.898 30 20 BFED CC(=O)c1cc(C#N)ccc1NC(=O)CC(C)C 411064131 MKZXNFCAKZAWJK-UHFFFAOYSA-N 244.294 2.745 30 20 BFED C[C@@H](CCC#N)N1CC[C@@H]1Cc1ccccc1 411341600 ZTAONTRCIAQZRE-DZGCQCFKSA-N 228.339 2.996 30 20 BFED N#CCCSCCOc1cccc(C#N)c1 413014708 QXNYIWXOXWQINE-UHFFFAOYSA-N 232.308 2.584 30 20 BFED C=CCOCCOc1ccc(C)nc1CC 418993432 OGPJGBAGNPXRFP-UHFFFAOYSA-N 221.300 2.534 30 20 BFED C=CCC(C)(C)CN[C@H]1CCNCC[C@H]1C 423129811 FPRQIFQZOHXOHP-OLZOCXBDSA-N 224.392 2.566 30 20 BFED C=CCn1cc(CN[C@@H](C)CCC=C(C)C)nn1 424297866 REQRHIDZPHNCKT-ZDUSSCGKSA-N 248.374 2.689 30 20 BFED C=CCC[C@H](CCC)N[C@H]1CCn2ccnc2C1 427892029 MKHBAYXEDVAEJV-KBPBESRZSA-N 247.386 2.922 30 20 BFED C=CCOCCCN1CC[C@]2(C)[C@H](C1)C2(F)F 428718087 FXOCDVGOAKELSB-NWDGAFQWSA-N 245.313 2.556 30 20 BFED C=CCOc1cc(F)cc(F)c1C(C)=O 430227094 OURUMDUYNFNZJW-UHFFFAOYSA-N 212.195 2.732 30 20 BFED CC[C@@H](NC1CCC(C)(C#N)CC1)C(C)(C)O 449343311 JIAYVMRQVRAQOD-MBHSVXNSSA-N 238.375 2.598 30 20 BFED C=CCC[C@H](C)N[C@@H](C1CC1)[C@H](CO)C1CC1 449511694 SECNWOSMCJFERK-GLQYFDAESA-N 237.387 2.728 30 20 BFED C=C(C)CN(CC)C(=O)CSC1CCC1 450993694 WKAFAUFMSDERDL-UHFFFAOYSA-N 227.373 2.697 30 20 BFED C=CC(C)(C)CNC(=O)C[C@@H](OCC)C(=C)C 452771609 AGOPFDNBAMRDSD-GFCCVEGCSA-N 239.359 2.686 30 20 BFED C=C(CC)CNC(=O)NC[C@H]1CCC(F)(F)C1 454896867 ZBTXNXCMRDNQSS-JTQLQIEISA-N 246.301 2.687 30 20 BFED CC(C)CCCCC(=O)N[C@@H](C#N)C(C)C 457585186 SDFYDJVIQNKJSX-LBPRGKRZSA-N 224.348 2.867 30 20 BFED C=CCn1cccc1C(=O)N[C@@H]1C[C@@]1(C)C(C)C 458143228 TVEXJZUZFPAIHY-HIFRSBDPSA-N 246.354 2.839 30 20 BFED C=CCOCCCNC1(C2CCC2)CCC1 459746008 BDADSIJSHUTYJW-UHFFFAOYSA-N 223.360 2.892 30 20 BFED C=CCCC[C@H](C)NC(=O)[C@@H]1[C@H](C)C1(F)F 461095009 OIFVZKHOFCEXOA-GUBZILKMSA-N 231.286 2.749 30 20 BFED C#C[C@H](CC)NC(=O)c1coc2c(C)cccc12 491568011 OKMXBEGUTXDXKY-LLVKDONJSA-N 241.290 2.883 30 20 BFED C#C[C@H](C)N(C)C(=O)C[C@@H](CC)C(C)C 491764101 CPRGUJLGPKXXHE-NWDGAFQWSA-N 209.333 2.539 30 20 BFED C/C=C/C=C/C(=O)N[C@@](C)(C#N)CC(C)C 492116569 VQBBTWPVBZPAQF-YGIFUYDNSA-N 220.316 2.563 30 20 BFED C/C=C/C=C\C(=O)N1CCc2ccc(C#N)cc21 492774014 JQHYWPGBYACDAN-IAROGAJJSA-N 238.290 2.580 30 20 BFED C=CCCCSc1nc(C)c(C)c(O)n1 540715750 QHUQBWYOHQLKRG-UHFFFAOYSA-N 224.329 2.857 30 20 BFED Cc1cc(C)nc(Oc2cccc(F)c2C#N)n1 550836260 KWADUEMMRLAZAL-UHFFFAOYSA-N 243.241 2.897 30 20 BFED CCN(C(=O)Nc1scc(C)c1C#N)C1CC1 564344633 TWBRQMZMRHMVBA-UHFFFAOYSA-N 249.339 2.944 30 20 BFED C=CCCOCCNC(=O)[C@H]1CC[C@H](C)CC1 566305863 ZSESIGFVMMXQIS-JOCQHMNTSA-N 239.359 2.522 30 20 BFED C[C@H]1CN(CCCCC#N)CC2(CCCC2)O1 592187598 JQUZNAFBQRHTHF-ZDUSSCGKSA-N 236.359 2.714 30 20 BFED CC[C@@H](C#N)C(=O)Nc1cc(C)c(O)c(C)c1C 593615044 GOBRYRGDIWSEKH-NSHDSACASA-N 246.310 2.806 30 20 BFED C=C[C@@H](Nc1ccc(Cl)c(C)c1)C(=O)OC 594551891 UWBWGJNEMXLJRB-LLVKDONJSA-N 239.702 2.788 30 20 BFED Cn1ncc(C#N)c1NCCCCC(C)(C)C 596112554 ADZSUGVLHPZUSQ-UHFFFAOYSA-N 234.347 2.920 30 20 BFED CC[C@H](NCC1(C#N)CCC1)[C@@H]1C[C@@H]1C 602696086 CMDMBXJUHMQANU-TUAOUCFPSA-N 206.333 2.704 30 20 BFED C=C[C@@](C)(CC)C(=O)N[C@@H](CC)C1CC1 618868792 PWOUPGTWHNZBMD-AAEUAGOBSA-N 209.333 2.894 30 20 BFED C=CC[C@H](C)[C@@H](C)Nc1cnn(CCF)c1 624126188 ZOQWQSFNBODVED-WDEREUQCSA-N 225.311 2.865 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccc(C)c(F)c1F 631344274 MZCMTIFWASCNOM-SECBINFHSA-N 239.265 2.968 30 20 BFED C=CC[C@@H]1CCCN(c2ncncc2C)C1 641656849 MFFZBJNTRDEDOP-GFCCVEGCSA-N 217.316 2.578 30 20 BFED CCC#C[C@H](C)N1CCC[C@@H](OC2CCC2)C1 653812574 MMBHNPKBWLLQTC-DZGCQCFKSA-N 235.371 2.822 30 20 BFED C=C[C@H](C(=O)O)N(C)CCCC(CC)CC 659802547 RIZMMQZDUZKNHU-GFCCVEGCSA-N 227.348 2.774 30 20 BFED C=C1CCN(CCN2C[C@H](C)C[C@@H](C)C2)CC1 659911118 ZVPOUEXRMBAIOZ-HUUCEWRRSA-N 236.403 2.616 30 20 BFED C=CC[C@H]1CCCN(Cc2nnc(C(C)C)o2)C1 661379624 FJPGLIODVNMSSM-LBPRGKRZSA-N 249.358 2.981 30 20 BFED C=CCCNC(=O)N1CC[C@@H]1c1cccc(F)c1 661570693 KBEANOLJIQEVJC-CYBMUJFWSA-N 248.301 2.858 30 20 BFED C=CCCCNCCC(=O)N(C)c1ccccc1 663361301 CQZXMBMDRMPZCK-UHFFFAOYSA-N 246.354 2.595 30 20 BFED C=CCCNC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 663416817 XMSBOWKIOIXMMB-GRYCIOLGSA-N 224.348 2.686 30 20 BFED Clc1ccc(C#CCN2CC=CCC2)cc1 679323535 ZQOBYTZPTOFYAO-UHFFFAOYSA-N 231.726 2.953 30 20 BFED CCC#C[C@H](C)N1CCC(c2cc(C)[nH]n2)CC1 679862256 QLDLWLUWZDKTIH-ZDUSSCGKSA-N 245.370 2.699 30 20 BFED C=C[C@](C)(CCOC)C(=O)N[C@H](C)CCC 682077714 WSGPJHSKOZVGFH-DGCLKSJQSA-N 227.348 2.520 30 20 BFED CC(C)(C#N)CN[C@H]1CCC12CCCC2 694403942 PWKCPZUUTHKDRV-NSHDSACASA-N 206.333 2.849 30 20 BFED C[C@@H](CC(C)(C)C#N)NCCc1ccco1 695792486 SQPPAIUTYMAOAN-NSHDSACASA-N 220.316 2.740 30 20 BFED CSC1(CN[C@@H](C)CC(C)(C)C#N)CC1 695793106 YONVWMFFMHBBNZ-JTQLQIEISA-N 226.389 2.800 30 20 BFED CC(C)COCCCN[C@@H](C)CC(C)(C)C#N 695841576 IJIWZJDBYYFCNF-ZDUSSCGKSA-N 240.391 2.967 30 20 BFED C#C[C@@H](NCc1cccc(OC)c1)C(C)(C)C 702284428 FWEJDXRERXHSJY-CQSZACIVSA-N 231.339 2.833 30 20 BFED O=[N+]([O-])c1cc(C=NNC2CCCC2)cs1 727651586 HAMWDCYUBDBBEN-UHFFFAOYSA-N 239.300 2.522 30 20 BFED CCC(C[C@@H](C)CC)=NNC(=S)N(C)C 731560037 DDEHAOVXPCISDX-VIFPVBQESA-N 229.393 2.625 30 20 BFED C=CCCOC(=O)/C=C\c1ccc(OC)c(O)c1 740225958 NUFCSJSJSUEOGJ-VURMDHGXSA-N 248.278 2.533 30 20 BFED C#CCCCNC(=O)[C@@H](C)Cc1ccc(F)cc1 742787066 FOLUSPKUTMDKJL-LBPRGKRZSA-N 247.313 2.534 30 20 BFED C=CCOC(=O)/C=C(\C)c1ccc(F)cc1 743065421 VZPBTNNRYKXEQB-MDZDMXLPSA-N 220.243 2.958 30 20 BFED C#CCNC(=O)Nc1ccc(OC(C)C)c(C)c1 743193213 AIVAFLADEGGRHM-UHFFFAOYSA-N 246.310 2.537 30 20 BFED N#Cc1ccc(C=NNc2ncccc2Cl)o1 743437754 HPBDQJVBANTZFS-UHFFFAOYSA-N 246.657 2.646 30 20 BFED CCN(C(=O)[C@@H](C)C#N)c1ccc(Cl)cc1 746121120 HGUCISYZMFIDSS-VIFPVBQESA-N 236.702 2.853 30 20 BFED C#CCCCOC(=O)[C@@H]1CC12CCCC2 747481388 ZCRNUPMNGKAHHJ-NSHDSACASA-N 206.285 2.523 30 20 BFED CCN(C[C@@H]1CC1(Cl)Cl)C[C@@H](C)C#N 750283178 BOHILPSZCIWDTE-IUCAKERBSA-N 235.158 2.662 30 20 BFED CC(C)C=Nn1c(S)nnc1-c1ccccc1 755512630 PGHRGCYBKQQSKU-UHFFFAOYSA-N 246.339 2.724 30 20 BFED C#CCCCC(=O)N[C@H]1CSc2ccccc21 757943754 ACPPLCUFWLHKHX-LBPRGKRZSA-N 245.347 2.753 30 20 BFED COCCON=Cc1c(C)oc2ccccc12 758119983 ZPANMUXZDJNLCS-UHFFFAOYSA-N 233.267 2.738 30 20 BFED CCC(C=NNc1ccc(C(=O)OC)cn1)CC 758140933 KMBPJAPXYWFNEL-UHFFFAOYSA-N 249.314 2.702 30 20 BFED Cc1ccc(F)c(NN=C[C@@H]2CCOC2)c1 759666568 UHHZBDBCLKXXBZ-JTQLQIEISA-N 222.263 2.568 30 20 BFED C=CCCCOC(=O)[C@@H]1CCC(=O)C[C@H]1C 760556785 LMRXYLVNXAMUCW-ZYHUDNBSSA-N 224.300 2.501 30 20 BFED C#CCCc1noc(/C=C/c2ccccc2)n1 762016617 RHHAWHJWRIMTAK-ZHACJKMWSA-N 224.263 2.806 30 20 BFED C#CCCc1noc(/C=C\c2ccsc2)n1 762017364 BCXBDSVYVSWFBC-WAYWQWQTSA-N 230.292 2.867 30 20 BFED C#CCCc1noc([C@H]2CCCCS2)n1 762029715 UVJTZCNGQXXBRG-SECBINFHSA-N 222.313 2.594 30 20 BFED C(CCC1CCOCC1)=NO[C@H]1CCCCO1 764907261 GDVRIHFOJUUXHI-ZDUSSCGKSA-N 241.331 2.722 30 20 BFED COCc1ccc(NC[C@@H](C#N)CCC#N)cc1 766820388 QYIPSNYONIUQFJ-CYBMUJFWSA-N 243.310 2.688 30 20 BFED CON=Cc1csc(-c2ccc(F)cc2)n1 767488973 DGZGXFNFMQAIFM-UHFFFAOYSA-N 236.271 2.930 30 20 BFED CC[C@@H](C#N)OC(=O)CCCC(F)(F)F 771292578 WTUYNNAZQQPCDT-ZETCQYMHSA-N 223.194 2.564 30 20 BFED C=CCCC[C@H](C)NC(=O)NOCC(C)C 775753752 OBZRTRSAPRZOHD-NSHDSACASA-N 228.336 2.618 30 20 BFED Cc1ccc(F)cc1C(=O)OCC1(C#N)CC1 775843486 VDXXCHDYVLTTLU-UHFFFAOYSA-N 233.242 2.595 30 20 BFED C1CC(=NN[C@@H]2CCCOC2)C[C@@H](C2CC2)C1 780262561 OXHXECXMKQORID-GXTWGEPZSA-N 236.359 2.711 30 20 BFED CC(=NN[C@@H]1CCCOC1)c1ccc(C)s1 780263405 VNVXSDQEHDVUPO-LLVKDONJSA-N 238.356 2.549 30 20 BFED COc1cc(C)nc(NN=C2CCC(C)(C)C2)n1 783849898 RCBVVOAVTLQVPG-UHFFFAOYSA-N 248.330 2.772 30 20 BFED C[C@]1(C#N)CCCN(Cc2cccnc2Cl)C1 784450574 OYVFZRIYKKBUOV-CYBMUJFWSA-N 249.745 2.861 30 20 BFED C=C[C@@H]1CCCCN1CCCCCCCO 785999757 ZDCWLIXTBVRLRL-CQSZACIVSA-N 225.376 2.970 30 20 BFED COc1cccc(C=NNC2CCCCC2)c1O 786042261 OBJHCGPZPOOZNN-UHFFFAOYSA-N 248.326 2.657 30 20 BFED CC(=NNCCc1ccccn1)C1CCCC1 789125469 YSLCJPHUFNEUPM-UHFFFAOYSA-N 231.343 2.780 30 20 BFED CC(=NNc1ncccc1C)[C@H]1CCCOC1 790189589 AYFPQLGLKJYMPJ-LBPRGKRZSA-N 233.315 2.604 30 20 BFED COC1CCC(=NN[C@@H](C)C(C)(C)C)CC1 793111311 FXMIRVHVXNXELP-NUHJPDEHSA-N 226.364 2.956 30 20 BFED CCN1CCC(=NN[C@@H](C)C(C)(C)C)[C@@H](C)C1 793111839 MCXVTOVZZAVACZ-RYUDHWBXSA-N 239.407 2.728 30 20 BFED Cc1cc(C=NN[C@@H](C)C(C)(C)C)c(C)[nH]1 793115250 LRKJZXMJNNGKPS-NSHDSACASA-N 221.348 2.990 30 20 BFED Oc1ccccc1C=NNc1cccc(Cl)n1 793163180 GYOQKOFVMUIZTE-UHFFFAOYSA-N 247.685 2.887 30 20 BFED C=CCCCCC[C@H](C)N[C@H](C)C(=O)N(C)C 793539515 IQCBYEDZMMGQRU-QWHCGFSZSA-N 240.391 2.578 30 20 BFED C=CCCCCC[C@@H](C)NCC(C)(C)C(N)=O 793548107 SEWGGQSDDMELRK-GFCCVEGCSA-N 240.391 2.613 30 20 BFED CCCCCCC=NN(C)CCOC 794964008 UIIBCAPOJDEERY-UHFFFAOYSA-N 200.326 2.521 30 20 BFED C=CCNN=C1CCCc2ccc(C)cc21 794998428 KMMKYNPXWZRYDT-UHFFFAOYSA-N 214.312 2.811 30 20 BFED CCCCC[C@H](CC)C(=O)N1CC(C)(C#N)C1 796418049 WZDOYFYOSFRTRE-LBPRGKRZSA-N 236.359 2.965 30 20 BFED C#CCCCCCC(=O)N1CCC[C@@H]2C[C@H]21 804290500 HURWOFUEVDVGLJ-CHWSQXEVSA-N 219.328 2.581 30 20 BFED N#Cc1nc(F)ccc1O[C@@H]1C=CCCC1 808045757 AXHOHPYFKPRFBS-SECBINFHSA-N 218.231 2.580 30 20 BFED CC[C@@H](O)CNN=Cc1csc2ccccc12 811654960 AOLOTWFPHJUKAF-LLVKDONJSA-N 248.351 2.596 30 20 BFED CCOC(=O)c1ccc(NN=C(C)C)cc1C 812229517 KQIBRTIYFQAGDY-UHFFFAOYSA-N 234.299 2.979 30 20 BFED Clc1ccc(C=NOCc2cccnc2)o1 814882889 ZZLSIDGFSNZQFK-UHFFFAOYSA-N 236.658 2.879 30 20 BFED CCCC(=NNC1CC1)c1ccc(OC)cc1 814902459 CVFQFWUMMYOECL-UHFFFAOYSA-N 232.327 2.951 30 20 BFED C=CCC(F)(F)C(=O)N[C@H](C)C1CCC1 815874659 QIKVVGPNESLIQN-MRVPVSSYSA-N 217.259 2.503 30 20 BFED C=C(C)CCNC[C@H](O)c1ccc(C)cc1 819349417 URKZXFZYXLFSDQ-AWEZNQCLSA-N 219.328 2.584 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1cc(CC)n(C)n1 823142617 HJOJHYPOVARZJZ-JTQLQIEISA-N 235.331 2.523 30 20 BFED CC[C@H](C#N)OC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 835212282 OFZUVBPXHPDCNQ-NNYUYHANSA-N 223.316 2.904 30 20 BFED CC(C)(C)C#CC(=O)N1CCC2(CCCC2)C1 837444119 NVSQDKFQZNHKFK-UHFFFAOYSA-N 233.355 2.829 30 20 BFED C[C@@H](C(=O)OCC1(C#N)CCC1)C1CCC1 838387058 RREWREHOKQCOQJ-SNVBAGLBSA-N 221.300 2.660 30 20 BFED C[C@H]1CSC(S[C@@H](C)CCC#N)=N1 840203348 PSFZBIUHOUSIGG-YUMQZZPRSA-N 214.359 2.903 30 20 BFED CCC(=NN[C@@H]1CCOC(C)(C)C1)[C@H]1C[C@@H]1C 841638102 NWWNTACNUHJPBS-TUAOUCFPSA-N 238.375 2.956 30 20 BFED C=CCCCCOC(=O)[C@@H](CC(C)C)OC 842114835 OPFSBASXUAMRQR-GFCCVEGCSA-N 228.332 2.947 30 20 BFED C=CCC(CC=C)c1nc(C2CCNCC2)no1 843137101 QOEPVYMSYWYBOO-UHFFFAOYSA-N 247.342 2.772 30 20 BFED C=C[C@@H](C)ON=C1CCO[C@H](C(F)(F)F)C1 844620075 HHWYPZLQOFZLER-APPZFPTMSA-N 237.221 2.675 30 20 BFED N#CC1(COc2ccc(C=O)c(F)c2)CCC1 844767686 GMBXTNDVJDTMKI-UHFFFAOYSA-N 233.242 2.711 30 20 BFED C=C(C)CONC(=O)NCC1(CC)CCCC1 845600532 BRPIZPNYDFEZEE-UHFFFAOYSA-N 240.347 2.764 30 20 BFED CC(C)c1ccccc1CN1CCO[C@H](C#N)C1 848885307 IOTJBQLEBCMVKM-CQSZACIVSA-N 244.338 2.534 30 20 BFED C=CCCNC(=S)N[C@@H](C)Cc1ccccc1 849278274 VUQCYZHLHIJRIL-LBPRGKRZSA-N 248.395 2.658 30 20 BFED C=CCC[C@@H](C)OC(=O)c1ccnn1C(F)F 849836660 LEHBMLGYUPEMLJ-MRVPVSSYSA-N 244.241 2.790 30 20 BFED CC(CC(C)(C)C#N)=NNc1nc(C)cc(C)n1 853253833 GAJOEWCYTDGBJF-UHFFFAOYSA-N 245.330 2.821 30 20 BFED COc1cncc(C=NN[C@@H]2CCCC2(C)C)c1 853342033 YXPSMGOXWPIZHT-CYBMUJFWSA-N 247.342 2.592 30 20 BFED Cc1ccc(O)c(CN[C@@H]2CCC[C@@H](C#N)C2)c1 862476503 VADYSZNZPMVXRX-TZMCWYRMSA-N 244.338 2.873 30 20 BFED CCC(C[C@H](C)CC)=NNCC(C)(C)O 863140528 LZFGSYWDWXDOKK-SNVBAGLBSA-N 214.353 2.549 30 20 BFED C#CCNC(=O)/C(C)=C\C1CCC(C)CC1 864550987 RUPFFZXJTAQMNK-BENRWUELSA-N 219.328 2.508 30 20 BFED CSCCON=C(C)c1cccc(O)c1F 872369925 OKKFZKMMWMEJHG-UHFFFAOYSA-N 243.303 2.635 30 20 BFED CCC[C@@H](CC)C(=O)OCC(C)(C)C#N 873517414 YYLBOQCRNJTREU-SNVBAGLBSA-N 211.305 2.906 30 20 BFED C=CC(C)(C)CC(=O)N1CCS[C@H](C)[C@@H]1C 878891544 XGNZXGDYIYLLRO-WDEREUQCSA-N 241.400 2.941 30 20 BFED CN(C(=O)CC(C)(C)C#N)c1ccsc1 892557964 GBLVZOVGADCEQL-UHFFFAOYSA-N 222.313 2.651 30 20 BFED N#CCC1(OC(=O)c2cnc(C3CC3)o2)CCC1 892983389 KSGHSCGAJYCSIF-UHFFFAOYSA-N 246.266 2.545 30 20 BFED CCC#CCOC(=O)C[C@H]1CCO[C@@H](CC)C1 893841029 MBUDYLPZUWAHFG-STQMWFEESA-N 238.327 2.538 30 20 BFED C#Cc1ccc(C(=O)N(CC)CC(=C)C)cc1 895523495 AGLKKCFISGGXLO-UHFFFAOYSA-N 227.307 2.706 30 20 BFED N#Cc1cccc(Cl)c1N1CCC[C@H](C#N)C1 895659219 POBUQUJTETXDGO-SNVBAGLBSA-N 245.713 2.952 30 20 BFED C=C1CC(c2noc(CC3CC(OCC)C3)n2)C1 896877381 JULVMWIOKQNYOI-UHFFFAOYSA-N 248.326 2.861 30 20 BFED C=C1CCC(C(=O)NC2(C)CCC2)CC1 897215644 XROKVGGEYMKZLU-UHFFFAOYSA-N 207.317 2.792 30 20 BFED C(=NOCC1CCC1)c1cnn(C2CCC2)c1 901265603 AARDVGCNFBYZQI-UHFFFAOYSA-N 233.315 2.759 30 20 BFED CC(=NNc1cc(F)ccc1F)[C@H]1CCCO1 901319874 HDFBAXHOBJXGJN-GFCCVEGCSA-N 240.253 2.932 30 20 BFED C=C[C@H](C)N[C@@H](C)c1cccc(COC(C)=O)c1 903111542 WCLBRGKEZYETPX-RYUDHWBXSA-N 247.338 2.975 30 20 BFED Cc1oc(-c2cccs2)nc1C=NN1CCC1 905491206 DOFSZDADXFBDCD-UHFFFAOYSA-N 247.323 2.751 30 20 BFED C=CCN(C(=O)[C@@H](C)[C@@H](O)CC)c1ccccc1 908271084 XVOMTKFEDWYVKN-JSGCOSHPSA-N 247.338 2.613 30 20 BFED C[C@@H]1CCCCC1=NNCCN1CCCCC1 915975033 ZGAYYKMWJYYLLR-CYBMUJFWSA-N 237.391 2.628 30 20 BFED CC(=NNCc1ccccc1)c1ccco1 916343800 HWGWAURZZTUMBO-UHFFFAOYSA-N 214.268 2.793 30 20 BFED Cc1c[nH]cc1C(=O)OCc1cccc(C#N)c1 920581553 NPGUPQUSRGMDNO-UHFFFAOYSA-N 240.262 2.552 30 20 BFED C=C[C@H](COC)NC1CC(c2cccc(F)c2)C1 1116619672 UFZPHKUBLSRXNM-HNFVBEJKSA-N 249.329 2.862 30 20 BFED C#CCN(Cc1cc2cnccc2o1)CC1CC1 1118308277 UEQUTYBMYLLZBV-UHFFFAOYSA-N 240.306 2.673 30 20 BFED CC1CC(CN2CCC[C@@](C)(C#N)C2)C1 1119811536 ZOIDHSNSVCHNCB-BPCQOVAHSA-N 206.333 2.658 30 20 BFED C=C[C@@H](CC)CC(=O)N1CC2CCC1CC2 1119967028 YVWODCJKXQCLGT-HIFPTAJRSA-N 221.344 2.990 30 20 BFED CCN(C(=O)c1ccc(C#N)cc1F)C1CCC1 1120609116 XPOIRQUQLRNGBH-UHFFFAOYSA-N 246.285 2.712 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)/C(C)=C/c1ccco1 1121161722 WKTNBFQZFKBBPQ-ZKQHCESOSA-N 246.310 2.834 30 20 BFED N#CC[C@@H](OC(=O)C1=CCCC1)c1ccco1 1123369736 ORHMLCIAKDYMRN-GFCCVEGCSA-N 231.251 2.888 30 20 BFED N#C[C@H]1CC[C@@H](N[C@H]2CC[C@H]2C2CCC2)C1 1182499228 MLTGHXXJIIIRAS-GHYVTOPFSA-N 218.344 2.847 30 20 BFED C=C(CC)C(=O)NCCO[C@@H]1CCCC[C@H]1C 1263708107 DMYRAZRQHHLVEC-CHWSQXEVSA-N 239.359 2.664 30 20 BFED C1CCC2(C1)CCC2=NNCC1CCOCC1 1320676781 WQLJDIZNYITDQM-UHFFFAOYSA-N 236.359 2.713 30 20 BFED Cc1nnn(N=CCc2cccc(Cl)c2)c1C 1330892220 LLXLOLQHVZQLLH-UHFFFAOYSA-N 248.717 2.625 30 20 BFED C#CC[C@H](CO)N[C@H]1CCC[C@H]1CCC(C)C 1331567498 WDEXSQGWHOXFGU-ZNMIVQPWSA-N 237.387 2.565 30 20 BFED COc1cc(C)cc(C=NOCCC2CC2)c1O 1333643351 OXPVYSZSCZBOBN-UHFFFAOYSA-N 249.310 2.860 30 20 BFED C=C[C@@](C)(CC)COC(=O)[C@@H](F)CC 1343443491 WNTJFYXQRUBACF-ONGXEEELSA-N 202.269 2.880 30 20 BFED C#C[C@@H](C)OC(=O)[C@@H](C)c1ccccc1C 1344087911 OWSQSYXUIVYFAM-NEPJUHHUSA-N 216.280 2.663 30 20 BFED C=C(CC(C)C)C(=O)N[C@H](C)c1nccc(C)n1 1349951364 NGARDMCGGFTSJF-GFCCVEGCSA-N 247.342 2.565 30 20 BFED C=C(CC(C)C)C(=O)Nc1ccc(C)cn1 1518873247 HJHQAKDYIYSWPR-UHFFFAOYSA-N 218.300 2.931 30 20 BFED C=C(CC)C(=O)NCc1ccc(SC)cc1 1548631743 PYIDERMLKWDCOX-UHFFFAOYSA-N 235.352 2.991 30 20 BFED C=C(CC(C)C)C(=O)N1CCC(CF)CC1 1548714319 ZINQXUVYRVHEAK-UHFFFAOYSA-N 227.323 2.797 30 20 BFED C=C(C)CCC(=O)Oc1ccccc1CC(=O)O 1588559678 QXAHPLNFNZAGHT-UHFFFAOYSA-N 248.278 2.575 30 20 BFED C=C(C)CN[C@@H]1CCC[C@@H](CCCC(=O)O)C1 1588570244 VENSNUBZWGVDEP-QWHCGFSZSA-N 239.359 2.966 30 20 BFED O=C(O)c1sccc1C=NOC1CCCC1 1602595798 XYSOMLKYOYFXEV-UHFFFAOYSA-N 239.296 2.739 30 20 BFED C=CCNC(=S)Nc1cc(C)ccc1F 7526508 AOYVPMVXJPBHSQ-UHFFFAOYSA-N 224.304 2.607 30 20 BFED CC(C)C(=O)OCc1cn2ccccc2c1C#N 22414580 XTBNGAAWMYKJKB-UHFFFAOYSA-N 242.278 2.510 30 20 BFED CCCN(CC)CCOc1ccccc1C#N 34674533 YYPWNEWIRGHBSH-UHFFFAOYSA-N 232.327 2.669 30 20 BFED CC(C)NCc1cccc(OCCCC#N)c1 37704149 HPIFTKVGYHCKPJ-UHFFFAOYSA-N 232.327 2.867 30 20 BFED CC1(Nc2ncccc2C#N)CCCC1 42187737 NXQITIWJAPGRGA-UHFFFAOYSA-N 201.273 2.698 30 20 BFED CC(C)N(CCC#N)C(=O)Cc1cccc(F)c1 42530396 BPTBIKVURMAMPD-UHFFFAOYSA-N 248.301 2.519 30 20 BFED Cc1ccc(C(=O)N(CCC#N)C(C)C)cc1 42530492 QFFTUKJCZXBZPW-UHFFFAOYSA-N 230.311 2.759 30 20 BFED CCCOC(=O)CSCc1ccc(C#N)cc1 58237201 YIHULPUMBOVKIZ-UHFFFAOYSA-N 249.335 2.745 30 20 BFED C[C@H]1C[C@@H](Nc2ccc(C#N)cc2)CCO1 69858283 WFZAQPNFILAAIZ-GWCFXTLKSA-N 216.284 2.538 30 20 BFED CC(C)[C@@H](C)C(=O)N(C)Cc1cccc(C#N)c1 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C=CCCOCCNCc1cccc(OCC)c1 120818034 FLWLYIGLMUTHML-UHFFFAOYSA-N 249.354 2.768 30 20 BFED CC#CCNC(=O)[C@@H](CCCCC)C(C)C 121113032 BXVBSIKEAVVSOS-ZDUSSCGKSA-N 223.360 2.978 30 20 BFED N#CCCCCSc1ncccc1[N+](=O)[O-] 122478081 MTENIBFHZNDUOJ-UHFFFAOYSA-N 237.284 2.776 30 20 BFED C=C(C)CN(CC)Cc1cnc(C)s1 125692998 LMLZTXCFVVNQQK-UHFFFAOYSA-N 210.346 2.850 30 20 BFED Cc1ccc(SCCC(=O)N[C@@H](C)C#N)cc1 125817869 VWDBWGLQCLHCBS-NSHDSACASA-N 248.351 2.506 30 20 BFED CC#CCN1CCc2c([nH]c3ccccc23)C1 126484210 WWFHRPJBHQJHNN-UHFFFAOYSA-N 224.307 2.549 30 20 BFED C=CCC[C@@H](C)Nc1ccc(CCO)cc1 126897543 ROAARQZXZWYBGV-GFCCVEGCSA-N 219.328 2.988 30 20 BFED C=CCCC(=O)COc1ccc(Cl)nc1 127123215 DTMIXGOMBDMMAB-UHFFFAOYSA-N 225.675 2.649 30 20 BFED CCOCCC1(CNc2ccc(C#N)cn2)CC1 127733252 SDLQVAMWHJJPCE-UHFFFAOYSA-N 245.326 2.572 30 20 BFED C[C@@H]1CC[C@H](NCc2cc(C#N)cs2)C1 128462686 MQCAJYISOCQUCI-KOLCDFICSA-N 220.341 2.898 30 20 BFED C=C[C@H](C)NCc1ccc(Br)cn1 130488726 SDHCJRWGQCVOQR-QMMMGPOBSA-N 241.132 2.508 30 20 BFED C[C@@H](CC#N)N(C)Cc1ccc(N(C)C)c(F)c1 132275214 ZRYMHSBCXRHNMF-NSHDSACASA-N 249.333 2.626 30 20 BFED C=C[C@@H](C)N[C@@H](C)c1ccc(OC)c(OC)c1 132686115 ZLJGQVBOSWGRSM-MNOVXSKESA-N 235.327 2.929 30 20 BFED CC#CCN[C@@H]1C[C@H](OCC)C1(CC)CC 132947550 REFXWBRBZMYRFI-OLZOCXBDSA-N 223.360 2.583 30 20 BFED C[C@H](CC#N)NCc1ccc(F)cc1Cl 134971059 JSJSAYBVUKUKRV-MRVPVSSYSA-N 226.682 2.871 30 20 BFED Cc1cc(F)ccc1CN[C@H](C)CC#N 134971904 DCJKQVNRUOXOLD-SNVBAGLBSA-N 206.264 2.526 30 20 BFED C=CCCOCCN[C@@H]1CCc2ccc(F)cc21 155648317 PDVWVWNYDSXCHI-OAHLLOKOSA-N 249.329 2.995 30 20 BFED CC1=CCN(c2ccc(F)cc2C#N)CC1 159973334 PEHMNZBCQJDIEW-UHFFFAOYSA-N 216.259 2.854 30 20 BFED C=C(C)CNC(=O)[C@@H](C)Sc1ccccc1 161251803 YLKPDGPPNZHDFR-LLVKDONJSA-N 235.352 2.860 30 20 BFED C=CCN(C)C(=O)CSCc1ccc(C)cc1 161347408 NEIPIMBYZQVARE-UHFFFAOYSA-N 249.379 2.873 30 20 BFED C[C@H](C#N)CNCc1ccc(Cl)cc1F 162963556 GROBHOYECXCSJN-MRVPVSSYSA-N 226.682 2.728 30 20 BFED Cc1cc(C#N)ccc1CSC[C@@H](C)C(=O)O 165112450 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O=C1/C(=C\c2csnn2)CCc2ccccc21 209146625 LPKSMIAJCZTTSF-YFHOEESVSA-N 242.303 2.751 30 20 BFED C=CC[C@H](C)NCc1cc(F)ccc1O 226609148 GKISKXUTJHNIKQ-VIFPVBQESA-N 209.264 2.586 30 20 BFED CC(C)C1(CNc2cccc(C#N)n2)CC1 227823753 YSQJKJOXTGKVIA-UHFFFAOYSA-N 215.300 2.801 30 20 BFED CC#CCCNC(=O)c1ccc(Cl)cc1C 230656371 IPXDVNDWZLODDT-UHFFFAOYSA-N 235.714 2.792 30 20 BFED C[C@@H]1C[C@@H]1c1noc(-c2cccc(C#N)c2)n1 230999307 ZLECFZXVTZDWSO-KCJUWKMLSA-N 225.251 2.732 30 20 BFED CC[C@H](C)C(=O)Oc1ccc(C#N)cc1OC 247898314 DRDNVQRSKQPJSD-VIFPVBQESA-N 233.267 2.518 30 20 BFED N#C[C@H](C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccn1 248763457 MVVWBCXYUCVPAN-RVMXOQNASA-N 240.306 2.694 30 20 BFED N#CCCNCc1ccc2c(c1)CCCC2 258871834 GTOBHGMNVRKQJT-UHFFFAOYSA-N 214.312 2.569 30 20 BFED C=CCCC(=O)Nc1ccc(N(C)C)cc1C 263640457 AOOCBHOBGBKUSH-UHFFFAOYSA-N 232.327 2.966 30 20 BFED N#CCCCCNc1nc2ccccc2o1 264207949 LGJJSKAUEJEXPZ-UHFFFAOYSA-N 215.256 2.934 30 20 BFED C=C(Cl)CNC(=O)N[C@H](C)c1cccs1 265484589 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C#CCCCc1nc(-c2ccc(Cl)o2)no1 289157949 UICVMBZNAAEQAU-UHFFFAOYSA-N 236.658 2.939 30 20 BFED CC1(NC(=O)Nc2ccc(C#N)c(F)c2)CCC1 290181684 NPXWQBLOMZBGNR-UHFFFAOYSA-N 247.273 2.761 30 20 BFED C=CCOCCCC(=O)OCc1occc1C 293474320 KYLLNDVOVIVLSM-UHFFFAOYSA-N 238.283 2.614 30 20 BFED N#C[C@]1(C(=O)N[C@H]2CC=CCC2)CC12CCCC2 296026200 ZLZCSUGFECZCLJ-WFASDCNBSA-N 244.338 2.685 30 20 BFED Cc1cccc(Sc2ccc(C#N)nn2)c1 301991612 MQTKUMMNEGVQDP-UHFFFAOYSA-N 227.292 2.808 30 20 BFED CN(CC1CCC1)c1cc(C#N)ccc1[N+](=O)[O-] 302232259 YZZZQHYJJKRLOA-UHFFFAOYSA-N 245.282 2.703 30 20 BFED C=CCC[C@H](O)CN1CCC[C@H]2CCC[C@H]21 305096097 SOOSYVRUMBFRLU-HZSPNIEDSA-N 223.360 2.578 30 20 BFED CCOc1c(Br)cccc1CC#N 307460354 DWXGQMYIVZYCFB-UHFFFAOYSA-N 240.100 2.914 30 20 BFED CCC[C@H](CC(C)C)C(=O)Nc1[nH]ncc1C#N 308083909 CIGSOSXQBNDQDA-SNVBAGLBSA-N 248.330 2.682 30 20 BFED C#Cc1ccc(CN[C@H]2CC[C@@H](C)C2)cc1 309830526 YKNOBRPKHQUAHA-DOMZBBRYSA-N 213.324 2.946 30 20 BFED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)C1CC1 310038923 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231.343 2.517 30 20 BFED CC(=O)Nc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 335880292 VYFCXAMDQFHURT-FZMZJTMJSA-N 243.310 2.749 30 20 BFED Cc1cccc([C@@H]2CCCN2C(=O)[C@@H](C)C#N)c1 335891280 GPMKCEUPFCXPBH-JSGCOSHPSA-N 242.322 2.818 30 20 BFED Cn1ccnc1CSc1ccccc1C#N 336022652 BEPWEYHWQNPDJL-UHFFFAOYSA-N 229.308 2.584 30 20 BFED C=C(C)Cn1ccc(-c2nccs2)n1 336156778 ZZKALGWVTYSZRW-UHFFFAOYSA-N 205.286 2.583 30 20 BFED COC1(CCOc2ccc(C#N)cc2)CCC1 336659025 PGGPSZBHKYKMMG-UHFFFAOYSA-N 231.295 2.896 30 20 BFED C=CC[C@H](C)[C@H](C)NC[C@@H]1CCSC1 336671763 ZECSBYGOKMWITM-SRVKXCTJSA-N 213.390 2.930 30 20 BFED CCc1cnccc1[C@H](C)N[C@H]1CC[C@@H](C#N)C1 339081346 MFQMHLDCHNHYOF-SCRDCRAPSA-N 243.354 2.987 30 20 BFED C=C(CN=c1nc(CC)[nH]s1)c1ccccc1 340979517 TYGOYWVJWYXFAO-UHFFFAOYSA-N 245.351 2.648 30 20 BFED C=CCCN(C)C(=O)CCO[C@@H](C)CC(C)C 342006938 QSFIRFMICXRYMN-ZDUSSCGKSA-N 241.375 2.862 30 20 BFED C=CCCN(C)Cc1cccc(-n2cccn2)c1 342727193 BDEBJGQUXGZPPY-UHFFFAOYSA-N 241.338 2.880 30 20 BFED C=CCOCC(=O)N(CC)c1cccc(C)c1 354573095 UJPWRCZIIXKLTA-UHFFFAOYSA-N 233.311 2.551 30 20 BFED C=CCCC[C@H](C)NC(=O)[C@H](OC)[C@H](C)CC 356635355 RUGFPTNOVACOCT-FRRDWIJNSA-N 241.375 2.909 30 20 BFED C=CCN(C(=O)[C@@H](C)OCCC(C)C)C1CC1 357525349 IXWVPMKTJDMFMR-GFCCVEGCSA-N 239.359 2.615 30 20 BFED C[C@H](CC1CCCCC1)C(=O)N(C)CC#N 358186458 QXFZFKKZJCCANU-LLVKDONJSA-N 222.332 2.575 30 20 BFED CC1(C)CC[C@H](C(=O)N(CCC#N)CC2CC2)C1 358984004 QTLQCWVBUKBHGS-ZDUSSCGKSA-N 248.370 2.965 30 20 BFED C[C@H]1CCCC[C@H]1N(C)C(=O)CCCC#N 360009065 ZEEGGPCSYHKDJE-NWDGAFQWSA-N 222.332 2.717 30 20 BFED C=CCC[C@@H](CC)N[C@@H]1CCc2c[nH]nc2C1 374443779 NEMFWNUSGQJBTK-CHWSQXEVSA-N 233.359 2.601 30 20 BFED C=C[C@H](COC)NCC(C(C)C)C(C)C 379977954 FRYWAUUKPUHOJY-GFCCVEGCSA-N 213.365 2.705 30 20 BFED C=CCCCCC[C@@H](C)N[C@@H](CO)C1CC1 381471364 OQSJACMTHISUOB-OCCSQVGLSA-N 225.376 2.872 30 20 BFED Cc1nnc(N[C@@H]2C[C@H]2CC(C)C)c(C#N)c1C 385258584 XEXHSTBTYFCHJB-DGCLKSJQSA-N 244.342 2.812 30 20 BFED C#C[C@@H](C)NC[C@H](C)CCc1ccccc1 390377920 YKXSNYONHLHMLJ-ZIAGYGMSSA-N 215.340 2.867 30 20 BFED C=CC(C)(C)CNc1ccc([N+](=O)[O-])cn1 395450472 OFFHVULUVMJEQC-UHFFFAOYSA-N 221.260 2.614 30 20 BFED CCCCCCCN1C[C@@H](C)C[C@H](C(=O)O)C1 398755118 YFJJYXNHGWIVJL-STQMWFEESA-N 241.375 2.999 30 20 BFED C#Cc1cccc(NC[C@H](OC)C2CC2)c1 400305555 RGBMZWQTSYRKTC-AWEZNQCLSA-N 215.296 2.505 30 20 BFED N#Cc1cc(Cc2cccs2)nc(C2CC2)n1 409438435 MUARTTVCDSORRQ-UHFFFAOYSA-N 241.319 2.878 30 20 BFED C=CC[C@H](CC)N[C@@H](C)Cc1ccc(OC)nc1 414147105 MYJQVDLLCXBGED-JSGCOSHPSA-N 248.370 2.966 30 20 BFED C=CC[C@H](Cc1ccccc1)N[C@H]1CCO[C@@H]1C 414308887 UGZRJYSHJWITKP-BMFZPTHFSA-N 245.366 2.941 30 20 BFED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccco1 424333487 UJNVNMRXHREKLE-OUAUKWLOSA-N 204.273 2.622 30 20 BFED C[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C#N)C(C)(C)C 424718571 XQVPGAJBRULKNH-GRYCIOLGSA-N 236.359 2.867 30 20 BFED CC1(C)CCCN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)[C@@H]1C#N 434430089 ARHWJQHQUVSVCL-XQHKEYJVSA-N 246.354 2.573 30 20 BFED CCc1ccnc(CNc2cnccc2C#N)c1 435586986 AKTWBYXOSRPTSY-UHFFFAOYSA-N 238.294 2.523 30 20 BFED CC[C@@H](F)COc1ccc(C#N)c(C)c1 440586496 XHQOJZOWSBGOKW-LLVKDONJSA-N 207.248 2.994 30 20 BFED C=CCCCC[C@@H](C)N[C@H](C)c1ncnn1C 449280364 XMFGVPCWGQSHKV-VXGBXAGGSA-N 236.363 2.601 30 20 BFED CC(C)[C@@H]1C[C@H]1CN[C@H]1CC[C@H](C#N)C1 449550232 AOBRVMHUYJGZCE-CYDGBPFRSA-N 206.333 2.560 30 20 BFED C=C(CC)CN[C@H](C)c1cc(OC)ncc1F 453337253 AHGJSRDMMMOTLB-SNVBAGLBSA-N 238.306 2.846 30 20 BFED C=CC[C@H](C)[C@H](C)NCCc1cnc(C)cn1 453408190 SLPQYWVDOVWNTB-AAEUAGOBSA-N 233.359 2.518 30 20 BFED C=C(CC)CNC(=O)Nc1ccccc1F 454173091 UEAMTSCQKFUHNT-UHFFFAOYSA-N 222.263 2.913 30 20 BFED C[C@@H](CC1CC1)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 454502207 SJSONTQSSZWYSS-DRZSPHRISA-N 249.358 2.557 30 20 BFED C=CC(C)(C)CNC(=O)N1CC[C@@H]1C(C)C 458983367 CZXIOZCDDBFFGL-LLVKDONJSA-N 224.348 2.639 30 20 BFED CC(C)C[C@@H]1C[C@H]1N[C@@H]1CC[C@@H](C#N)C1 459658215 OWKUTGDFTUOYKL-FDYHWXHSSA-N 206.333 2.703 30 20 BFED 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30 20 BFED C=C(CC)CNC(=S)N[C@@H]1CCCC[C@H]1C 840826782 VNMLPUIYXXGKBX-VXGBXAGGSA-N 240.416 2.995 30 20 BFED Cc1cc(N(C)C)ccc1C=NNC1CCCC1 841625768 AIEUSWKOAPZVAS-UHFFFAOYSA-N 245.370 2.927 30 20 BFED C#C[C@@H](NC(=O)C1CC(C)(C)C1)c1ccccc1 843641564 KCUAERCXFQFURK-CQSZACIVSA-N 241.334 2.913 30 20 BFED C#C[C@H](NC(=O)C1CC(F)(F)C1)c1ccccc1 843641823 KZCKGEDDSVIBGJ-LBPRGKRZSA-N 249.260 2.522 30 20 BFED C=C[C@H](C)ONC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 844284777 WQCDQRDUPZFUKH-FIQHERPVSA-N 240.347 2.616 30 20 BFED C=C(C)CON=Cc1cc(C)c(O)c(C)c1 844614477 FKVYCJVPDBZTPK-UHFFFAOYSA-N 219.284 2.936 30 20 BFED C=C(C)CON=Cc1cc(C)nc(Cl)c1 844618604 YAJASEWWCWPBHU-UHFFFAOYSA-N 224.691 2.970 30 20 BFED C=C[C@H](C)ONC(=O)C1(CC)CCCCC1 846551329 ZUSJKRQZAWOIQU-NSHDSACASA-N 225.332 2.969 30 20 BFED O=[N+]([O-])c1ccc(O)c(/C=N/CCCC2CC2)c1 846756824 MPFNRYACWVFMMA-NTEUORMPSA-N 248.282 2.910 30 20 BFED CSc1cc(C(=O)OC(C)(C)C#N)c(C)o1 850893128 GKSQOKYUZGBJNW-UHFFFAOYSA-N 239.296 2.769 30 20 BFED 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C[C@H](C#N)OCCN1CCCc2cccc(F)c21 801930871 YMEMZAZOFKKMCL-LLVKDONJSA-N 248.301 2.507 30 20 BFED C=CCCCCCCNC(=O)C1(OC)CCC1 805221550 POSAPQXSGKPKHP-UHFFFAOYSA-N 239.359 2.808 30 20 BFED CC(CCc1ccco1)=NN[C@H]1CCSC1 808003175 KFKPOTFEAFZJCC-NSHDSACASA-N 238.356 2.683 30 20 BFED COc1ccsc1C=NOC1CCC1 812236934 APPBXGPQICGFAR-UHFFFAOYSA-N 211.286 2.660 30 20 BFED Clc1ccc(NN=C[C@H]2CCOC2)cc1 812370904 WVMMMOYJJBDHDU-SECBINFHSA-N 224.691 2.774 30 20 BFED CC1CC(OC(=O)/C=C\c2ccccc2C#N)C1 813231259 YJGZKBFVZARZTP-SREVYHEPSA-N 241.290 2.913 30 20 BFED C[C@H]1CCC(=NN[C@@H]2C[C@H]3CC[C@H]2C3)C1 814893348 NPWIODVRGKYDAO-MRBYEJRBSA-N 206.333 2.941 30 20 BFED C=CCC(F)(F)C(=O)N(CC)c1cccnc1 815321505 HRIJNAXAUMNPIN-UHFFFAOYSA-N 240.253 2.646 30 20 BFED O=C1CCCN1N=Cc1cccc(C2CC2)c1 817326084 MFJFOWXJVFKPOM-UHFFFAOYSA-N 228.295 2.520 30 20 BFED COc1cccc(O)c1/C=N/[C@@H]1CC[C@H](C#N)C1 818992633 RWFBWPXGKJUHNE-LJJSPEIYSA-N 244.294 2.512 30 20 BFED C=CC[C@H](C)NCc1ccnc(Cl)c1F 823871977 UDFBUTNUAYCGST-QMMMGPOBSA-N 228.698 2.928 30 20 BFED C=CCOCCOC(=O)[C@H]1CCC(C)=C(C)C1 829815228 HNRLJBWGVDXMOG-ZDUSSCGKSA-N 238.327 2.869 30 20 BFED C#CC1CCN(Cc2ccc(COC)cc2)CC1 830350670 FWVPVZBZCXYJRV-UHFFFAOYSA-N 243.350 2.678 30 20 BFED CCn1nnc(C)c1/C=C1/CCCC(C)(C)C1=O 834430788 YSHMBACPYSKBBY-LUAWRHEFSA-N 247.342 2.769 30 20 BFED CCC[C@H](C=Nn1cnc2ccccc21)OC 834934910 WJHWLATUVUYLRW-LLVKDONJSA-N 231.299 2.685 30 20 BFED CO[C@H](C=NNC1CCCC1)Cc1ccccc1 834954866 WYTSDXMEFXQFGN-HNNXBMFYSA-N 246.354 2.762 30 20 BFED CC(C)ON=C1C[C@H](OC(C)C)C1(C)C 835002793 OJVZJPPHEDOZNQ-NSHDSACASA-N 213.321 2.991 30 20 BFED CC(=NOC(C)C)c1cc(C)ccc1O 835004122 HMVNPRJERYFFOR-UHFFFAOYSA-N 207.273 2.850 30 20 BFED C#C[C@H](C)OC(=O)[C@H]1CCC[C@H]1CCC 835178103 KWMFVYDMLKTRRI-TUAOUCFPSA-N 208.301 2.768 30 20 BFED C#CCCCNC(=O)N[C@@H](CC)C1CCCC1 836329895 LDYDSNYGGZJVHN-ZDUSSCGKSA-N 236.359 2.668 30 20 BFED C#C[C@@H](CC)NC(=O)N[C@H](C)CC(C)(C)C 836424311 FKGOGOXOQBJRCP-MNOVXSKESA-N 224.348 2.522 30 20 BFED C=CCCC(=O)COC(=O)[C@]1(C)CCC[C@@H]1C 837926797 AZNBNWQPGQUHHA-SMDDNHRTSA-N 238.327 2.891 30 20 BFED Cc1nc(C)c(C(=O)O[C@H]2CCC[C@H](C#N)C2)o1 839055244 XKJASYIOBCJTNG-QWRGUYRKSA-N 248.282 2.531 30 20 BFED C=CCCCCONC(=N)COC(C)(C)C 842040807 MVLQODXPRUIVRO-UHFFFAOYSA-N 228.336 2.656 30 20 BFED C#CCCCC(=O)O[C@H](C#C)c1ccccc1 842391033 FNLYXBSXMXCJBV-CQSZACIVSA-N 226.275 2.708 30 20 BFED C#CC1CCN(C(=O)[C@H](C)c2ccc(C)o2)CC1 843706263 OQHBPFBZEZNCIO-GFCCVEGCSA-N 245.322 2.563 30 20 BFED C=C(Cl)CNC(=O)[C@@]1(C)CCc2ccccc21 843802141 NUNIGPDPAAXFGG-AWEZNQCLSA-N 249.741 2.759 30 20 BFED CC#CC(=O)Nc1ccc2c(c1)CCCCC2 846481752 KQQLVZKTQSCEGC-UHFFFAOYSA-N 227.307 2.917 30 20 BFED C#C[C@@H](OC(=O)CC1(C#N)CCCCC1)C1CC1 850911331 PKDCEKXJPPVUGQ-CYBMUJFWSA-N 245.322 2.806 30 20 BFED C[C@H](CC(C)(C)C#N)OC(=O)C1CC=CC1 851210192 SAJBKSDUATZULO-SNVBAGLBSA-N 221.300 2.824 30 20 BFED CCCCCCCN[C@@H]1CCC[C@@H]1C(=O)OC 852756037 QXYGRIDIISLILA-QWHCGFSZSA-N 241.375 2.888 30 20 BFED C=CCCC(C)(C)NC(=O)c1cccc(CN)c1 852920320 RAGUBWJDSOFRBU-UHFFFAOYSA-N 246.354 2.620 30 20 BFED CC#CCNc1ccc(OC(F)F)c(OC)c1 853064644 NSZOJQDTZQPTPE-UHFFFAOYSA-N 241.237 2.732 30 20 BFED N#CCCSc1nc(C#N)c(Cl)s1 853685382 VCLPZZOKVOHQQB-UHFFFAOYSA-N 229.717 2.674 30 20 BFED CC(C)CCCCOC(=O)c1cccc(C#N)n1 860894583 AHFABKZDVUDLTI-UHFFFAOYSA-N 246.310 2.936 30 20 BFED N#Cc1cccc([N+](=O)[O-])c1N[C@H]1CC12CCC2 872775104 ORTQCHQYNSIART-NSHDSACASA-N 243.266 2.821 30 20 BFED Cc1c(Cl)cccc1CNC[C@@H](C)C#N 877321140 GFNZXYGDDVQHGK-VIFPVBQESA-N 222.719 2.898 30 20 BFED C=CC(C)(C)CC(=O)N[C@H](C)[C@H]1CCCOC1 879425159 RRAQCTATKTXKHZ-NEPJUHHUSA-N 239.359 2.520 30 20 BFED CCC#CCOC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21 893843345 LAHIDZYZCOEOLH-RRFJBIMHSA-N 240.302 2.529 30 20 BFED C=CCCCCC[C@H](C)NCC1(N)CC1 902407841 WHVOJIURNSOOGM-LBPRGKRZSA-N 210.365 2.592 30 20 BFED CC(C)(C#N)CN[C@H](c1cncc(F)c1)C1CC1 903102354 WULYBCZSEIASBA-ZDUSSCGKSA-N 247.317 2.811 30 20 BFED CCCNN=C(C)c1ccc(C(=O)OC)cc1C 905438417 HNBBMDWFVDMOAL-UHFFFAOYSA-N 248.326 2.505 30 20 BFED CNC(=S)NN=C(C)c1ccc(C(C)C)cc1 916265205 NHBJKRPQVCTCJC-UHFFFAOYSA-N 249.383 2.628 30 20 BFED CCCC(=Nn1cnnc1)c1ccc(Cl)cc1 916581080 FCLSZKKDJJGPTD-UHFFFAOYSA-N 248.717 2.984 30 20 BFED C=CCC(CC=C)C(=O)N=S(=O)(CC)CC 925884145 DUWZYUKIPCBQOY-UHFFFAOYSA-N 243.372 2.789 30 20 BFED C#CCN(C(=O)Cc1ccccc1CC)C(C)C 928625717 AQOIRNMATCBRPL-UHFFFAOYSA-N 243.350 2.662 30 20 BFED C=C[C@@H](CC)CC(=O)NOCc1ccccc1 929437971 OXDIPTRWGZTMJX-LBPRGKRZSA-N 233.311 2.837 30 20 BFED C#CCN(CCCOC(C)(C)C)C(C)C 932389826 DBDKZFJJQIAUAF-UHFFFAOYSA-N 211.349 2.535 30 20 BFED C#C[C@@H](NC(=O)C[C@H](C=C)CC)C(C)(C)C 936001478 LPKYBIHBPOSGKG-VXGBXAGGSA-N 221.344 2.753 30 20 BFED Cc1ccc(NN=Cc2cc(C)ncn2)cc1 1117697874 PWKMYCLKOQUHTC-UHFFFAOYSA-N 226.283 2.539 30 20 BFED COc1cc(F)cc(NC(=O)C#CC(C)(C)C)c1 1117856700 BIUXNXBRCZTQGG-UHFFFAOYSA-N 249.285 2.822 30 20 BFED CC[C@H](F)C(=O)Nc1cc(C#N)c(F)cc1F 1121134470 IVBFKNPSGAWNSX-ZETCQYMHSA-N 242.200 2.523 30 20 BFED C#CCC[C@@H](C)OC(=O)c1nccc2occc12 1122881971 HCZRFWYDLOHNNY-SNVBAGLBSA-N 243.262 2.787 30 20 BFED N#Cc1cc(Cl)nc(N2CCC[C@@H]3C[C@H]32)c1 1157133664 WCPOPFDJXMMTAS-NXEZZACHSA-N 233.702 2.595 30 20 BFED CC(C)c1nc(C=NNc2ncccn2)cs1 1317945353 HYFPMCIXJRPLCR-UHFFFAOYSA-N 247.327 2.503 30 20 BFED CC#CCCCC(=O)Nc1cc(F)cc(OC)c1 1321227101 JIEALIVITVLTBL-UHFFFAOYSA-N 249.285 2.966 30 20 BFED C#Cc1ccc(NC[C@H](OC)C(C)(C)C)nc1 1336544624 QWXVOVITXYZDOV-LBPRGKRZSA-N 232.327 2.536 30 20 BFED C#C[C@H](C)N(C)Cc1ccccc1N1CCCC1 1339302148 YNGJKEMVQNDKQT-AWEZNQCLSA-N 242.366 2.740 30 20 BFED C=C[C@H](CC)CC(=O)OCCOCCC 1342592800 RUPHTHGAGUVLCJ-LLVKDONJSA-N 214.305 2.559 30 20 BFED C=CC(C)(C)COC(=O)[C@@H]1CCC[C@H]1OC 1343702884 WMFGTLIKNBWVTM-GHMZBOCLSA-N 226.316 2.557 30 20 BFED CC[C@H](C)[C@@H](C)NC(=O)c1csc(C#N)c1 1347813891 UXUCKGCMKNEPGF-DTWKUNHWSA-N 236.340 2.784 30 20 BFED C=C(CC)C(=O)N(C)c1ccc(OC)cc1 1348759291 ZMFUZAUEHKLVEE-UHFFFAOYSA-N 219.284 2.624 30 20 BFED Cc1sc(C(=O)O)cc1CON=CC1CC1 1600867111 UFTUMOAWCSJTIY-UHFFFAOYSA-N 239.296 2.667 30 20 BFED CC1(C)OB([C@]23CCC(=O)C[C@H]2C3)OC1(C)C 2332240842 FKFIWADWYFGFRV-ZANVPECISA-N 236.120 2.592 30 20 BFED C=C(C)Cn1cnc2sc(C)c(C)c2c1=O 19651599 AKYPTKYAKPTYRD-UHFFFAOYSA-N 234.324 2.651 30 20 BFED CC(C)=CC(=O)Nc1ccc(CC#N)cc1 22897629 ZUVXHGQKBUPXDF-UHFFFAOYSA-N 214.268 2.657 30 20 BFED CCC[C@@H](C)N(C)C(=O)c1cccc(C#N)c1 35239001 XMHDXVGFWQFROS-LLVKDONJSA-N 230.311 2.819 30 20 BFED CC[C@](C)(C#N)NC(=O)c1cccc(C)c1C 40357280 VGKPXXWFWYECJI-CQSZACIVSA-N 230.311 2.726 30 20 BFED C=C(Cl)COc1ccc(C)cc1C(=O)O 42393481 BEGQSNXFIOMFJI-UHFFFAOYSA-N 226.659 2.825 30 20 BFED C=CCNc1ccc2ncccc2c1[N+](=O)[O-] 48331149 DLKBTNHKWVRLDN-UHFFFAOYSA-N 229.239 2.741 30 20 BFED CN(CC#N)c1ccc(C(C)(C)C)cc1 49812502 NWTCAAAVSLJZPS-UHFFFAOYSA-N 202.301 2.944 30 20 BFED C=C(C)CN(CC)C(=O)c1cccc(Cl)n1 51072737 HRGRKCKKEMQVDY-UHFFFAOYSA-N 238.718 2.773 30 20 BFED CCN(Cc1ccnc(Cl)c1)C[C@@H](C)C#N 51606358 ZXVMPKXTDFUDRS-JTQLQIEISA-N 237.734 2.717 30 20 BFED C=C(C)CN[C@@H](C)c1ccc(C#N)cc1 51753336 IXDMXGVRURXWJR-NSHDSACASA-N 200.285 2.785 30 20 BFED CCn1ccnc1CNc1cc(C#N)ccc1C 51924346 BJJDGANWBSMIAH-UHFFFAOYSA-N 240.310 2.695 30 20 BFED C=CCCCN1CCC[C@@](CC)(C(=O)O)C1 70593171 TUPFGCXTVJZLSQ-CYBMUJFWSA-N 225.332 2.529 30 20 BFED C#CCN1C[C@@H](c2ccccc2C)C[C@H]1C 76386399 ZFSYKSQITLVSKP-KGLIPLIRSA-N 213.324 2.806 30 20 BFED CC1(C)CN(C(=O)c2cccc(C#N)c2)C1(C)C 80407778 PGWHEVFZPBQSSB-UHFFFAOYSA-N 242.322 2.819 30 20 BFED N#CC1(C(=O)N2CC[C@H]3CCCC[C@H]3C2)CCC1 83795502 ZAORMDZZEPLQBQ-OLZOCXBDSA-N 246.354 2.719 30 20 BFED CC(C)(C#N)CCCOc1cccc(CO)c1 87599605 CJRPCPSTJNAEMK-UHFFFAOYSA-N 233.311 2.888 30 20 BFED CN(CCc1ccccc1)c1cc(C#N)ccn1 88203057 ZHBWJNXZRCMEIS-UHFFFAOYSA-N 237.306 2.632 30 20 BFED C[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1C 91440004 VYBYLPKCHYHQCV-TXEJJXNPSA-N 214.312 2.646 30 20 BFED CSc1ccccc1C(=O)N(C)[C@@H](C)CC#N 92213097 TZHBFPHIJRLAKC-JTQLQIEISA-N 248.351 2.783 30 20 BFED C=CCOc1ccc(CN[C@@H](C)CCOC)cc1 101597729 IAOLVIYBULBMLE-ZDUSSCGKSA-N 249.354 2.766 30 20 BFED C[C@@H]1CCN(c2ccc(F)cc2C#N)C1 110877865 OTLNVFFTYSNZDL-SECBINFHSA-N 204.248 2.544 30 20 BFED C#CCCCOC(=O)CO[C@H]1CCCC[C@@H]1C 113655002 JDHCLZLGFPQLLK-STQMWFEESA-N 238.327 2.538 30 20 BFED C#CCCCCC(=O)NC(C)(C)CCC 119802592 KTBBGPSORZYLMZ-UHFFFAOYSA-N 209.333 2.875 30 20 BFED CC[C@@H](C#N)Nc1ccc2c(c1)C(=O)CCC2 122256579 QAODZJXLESQOJG-NSHDSACASA-N 228.295 2.920 30 20 BFED Cn1ncc(Cl)c1/C=C/C(=O)c1ccco1 122700063 TVACJQKDGJMTRE-SNAWJCMRSA-N 236.658 2.563 30 20 BFED C=C(C)CNC(=O)c1c(F)ccc(C)c1F 122928610 BIHOTOCTSSJRHU-UHFFFAOYSA-N 225.238 2.579 30 20 BFED C=C(C)CNC(=O)c1coc2ccccc12 123111687 UBRPFWVQBRNMCU-UHFFFAOYSA-N 215.252 2.739 30 20 BFED CC[C@@H](C#N)NC(=O)c1cc(Cl)ccc1C 123548799 NWCWEWYMHKDJLE-JTQLQIEISA-N 236.702 2.680 30 20 BFED CCCN(C)Cc1ccc(N(C)CCC#N)cc1 127558181 JJEWFLUAWBFAEI-UHFFFAOYSA-N 245.370 2.878 30 20 BFED CN(CCC#N)c1ccc(CNCC2CC2)cc1 128481481 HRNAGMKUIQHFKN-UHFFFAOYSA-N 243.354 2.536 30 20 BFED C#CCCOC(=O)c1ccc(F)c(Cl)c1 128919407 PLOSLSBQXRFKNX-UHFFFAOYSA-N 226.634 2.659 30 20 BFED C[C@@]1(CNc2ccc(C#N)nc2)CCCS1 130143299 RYTZAQPWUVFWRU-LBPRGKRZSA-N 233.340 2.651 30 20 BFED C=CCC[C@@H](C)Nc1cccc(NC(N)=O)c1 130637956 HOLDCRSPKIXXSR-SNVBAGLBSA-N 233.315 2.944 30 20 BFED C=CCCOCCN[C@@H]1CC[C@@H](C)C[C@H]1C 134886021 HHLMNOXUIKUNDO-MGPQQGTHSA-N 225.376 2.993 30 20 BFED C=CC[C@@H](Cc1ccccc1)NC(=O)OC 138122975 WFVQZSCHAJNGHN-LBPRGKRZSA-N 219.284 2.530 30 20 BFED C=CCCC(=O)N1C[C@@H](C)CCC[C@H]1C 150831197 KABURUCGUPWJPU-NWDGAFQWSA-N 209.333 2.990 30 20 BFED CC1(C)C[C@@H]1C(=O)Oc1ccc(C#N)cc1F 154833806 JFBPZHZUSSDAEB-SECBINFHSA-N 233.242 2.649 30 20 BFED CN(Cc1ccc(F)c(C#N)c1)Cc1ccco1 160539570 WHQOGLQDMOWHQW-UHFFFAOYSA-N 244.269 2.922 30 20 BFED COCCCCCNCc1cc(C#N)cs1 165160519 XLAYPMZFYJAXOE-UHFFFAOYSA-N 238.356 2.526 30 20 BFED CCC1(NC(=O)c2cccc(CC#N)c2)CCC1 174933622 NTLYSZBQFDZUMC-UHFFFAOYSA-N 242.322 2.815 30 20 BFED C=CCCCC(=O)Nc1ccccc1OC 175195120 KHDXIRYYOHTXBU-UHFFFAOYSA-N 219.284 2.990 30 20 BFED C=CCC(CC=C)C(=O)N1C[C@@H]2[C@@H](C1)C2(C)C 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246.372 2.654 30 20 BFED C#CC[C@H](NC(=O)N1CC[C@H]1C)c1ccccc1 757768884 QDPMENSAFYAQJR-OCCSQVGLSA-N 242.322 2.555 30 20 BFED C#CCCCC(=O)Nc1sc(C)c(C)c1C#N 757799550 GGJVWGNMOQVLSG-UHFFFAOYSA-N 246.335 2.979 30 20 BFED C#CCCCC(=O)N1CC[C@@H](C)C(C)(C)C1 760513138 URRKROMPCCNNOK-GFCCVEGCSA-N 221.344 2.685 30 20 BFED C#CCCOC(=O)c1cc(Cl)cc(Cl)n1 765499991 AGEDNEMGCJTBOR-UHFFFAOYSA-N 244.077 2.569 30 20 BFED C#CCCOC(=O)/C=C\c1ccc2[nH]ccc2c1 765929352 SOGSDTGSOXYOEC-ALCCZGGFSA-N 239.274 2.748 30 20 BFED C=CCCCCNC(=O)Nc1cc(C)ns1 771165988 PUPPKYKWHPLADG-UHFFFAOYSA-N 239.344 2.929 30 20 BFED CCO[C@H]1CC(=NNCC(C)C)C12CCC2 771567906 UXBCYSXBGBOGDV-LBPRGKRZSA-N 224.348 2.567 30 20 BFED C=C(CC)COC(=O)Cc1cccc([N+](=O)[O-])c1 773523999 UALRTCDNNDBSQY-UHFFFAOYSA-N 249.266 2.647 30 20 BFED C=C(CC)COC(=O)C1(CCOC)CCC1 773536308 QUWFMOPXTLKZHE-UHFFFAOYSA-N 226.316 2.703 30 20 BFED CCC(CC)CNN=Cc1ccc(O)cc1 774469099 CAMYRWRMUVSNQC-UHFFFAOYSA-N 220.316 2.752 30 20 BFED C#C[C@H](NCc1ccc(CC)cc1)[C@@H]1CCCO1 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2.950 30 20 BFED C#C[C@H](OC(=O)CCCC#N)c1ccc(F)cc1 842407185 KZODCGQBZLXIBT-ZDUSSCGKSA-N 245.253 2.737 30 20 BFED CC(=NN(C)[C@H](C)CO)c1cccc(C2CC2)c1 842539524 YNSPFLVRTQTIBN-LLVKDONJSA-N 246.354 2.601 30 20 BFED C#C[C@@H](OC(=O)/C=C/C1CCCC1)C1CC1 842747111 RIWBHOQPMBJNQP-UTSBKAFOSA-N 218.296 2.688 30 20 BFED CCC(C)=NNc1ccc(CC(=O)O)cc1 848414896 FPMNZGXOCAFPHN-UHFFFAOYSA-N 220.272 2.512 30 20 BFED C=CCOC(=O)[C@@H]1CCc2cc(F)ccc21 850268682 HDGNEINIUJIKQJ-GFCCVEGCSA-N 220.243 2.585 30 20 BFED C#CCOCCN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 851715107 XACBLNASDHHSHI-HIFRSBDPSA-N 235.371 2.537 30 20 BFED N#CC[C@H]1CCCN(Cc2ccnc(Cl)c2)C1 852320104 WNGATXSDPYXVPP-LLVKDONJSA-N 249.745 2.861 30 20 BFED Cc1ccc(C=NN2CCCC[C@H]2C)nc1 853378748 CDHJELMPHILQIK-GFCCVEGCSA-N 217.316 2.598 30 20 BFED Clc1nc(CON=C2CCC2)cs1 853669689 MQXFILVBKBQNQO-UHFFFAOYSA-N 216.693 2.853 30 20 BFED C#Cc1ccc(CN[C@H](CO)CCC(C)C)cc1 858241349 QBZWKTXYWUMBKJ-INIZCTEOSA-N 245.366 2.555 30 20 BFED C#CCCOC(=O)Oc1ccc(C(=O)CC)cc1 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2.879 30 20 BFED C=C1CCN(C(=O)[C@@H](C)c2cccc(O)c2)CC1 932037762 IBMLPCUTHYQYEK-LBPRGKRZSA-N 245.322 2.674 30 20 BFED CC1(C)CN(c2ncc(C#N)cc2F)C1(C)C 1117942740 DXWYQGDQBYOQIK-UHFFFAOYSA-N 233.290 2.717 30 20 BFED C#Cc1ccc(N2CCC[C@@H](CC)C2)nc1 1120881736 JNTBFKFKPFYIKB-CYBMUJFWSA-N 214.312 2.689 30 20 BFED COc1cccc(OC)c1C=NOC(C)(C)C 1253788568 GDUQKXPVRDCIKO-UHFFFAOYSA-N 237.299 2.853 30 20 BFED C=CCCN[C@H](c1ccccc1)c1cnn(C)c1 1254523177 PAAPBGAPQNJQEI-OAHLLOKOSA-N 241.338 2.675 30 20 BFED CC[C@@H](OC)c1nnc(-c2cccc(C#N)c2)o1 1322412095 SGBMVMYYYCFGTF-LLVKDONJSA-N 243.266 2.706 30 20 BFED CCOc1cc(C=NOC(C)(C)C)ccc1O 1323130628 BXPBYCBMMNRXAW-UHFFFAOYSA-N 237.299 2.940 30 20 BFED C=CCCCCSc1nncn1CC=C 1324489355 VRAJACLYINGSRH-UHFFFAOYSA-N 223.345 2.913 30 20 BFED CCc1ccc(C#Cc2nnc(C3CC3)o2)cc1 1326955253 TTZQRLPYFIIJBS-UHFFFAOYSA-N 238.290 2.909 30 20 BFED CCN(C(=O)/C=C(\C)C(C)(C)C)[C@H](C)C#N 1328827988 OIBMVRZGEZHUQA-RJCSOLBVSA-N 222.332 2.739 30 20 BFED C=CCC(C)(C)CNC(=O)c1cnc(C(C)C)[nH]1 1330550848 FRNVHWITTPAUFO-UHFFFAOYSA-N 249.358 2.865 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)c1ccc[nH]1 1336238627 QKGXPNABJGVHPO-LLVKDONJSA-N 218.300 2.586 30 20 BFED C=C(C)CCC(=O)N1CCC[C@@H](COCC)C1 1336346192 DEFNYVUHCQAQCC-CYBMUJFWSA-N 239.359 2.618 30 20 BFED C=C(C)CCC(=O)N1CCn2cccc2[C@@H]1C 1338673918 ZRJNBSBSIHEATQ-LBPRGKRZSA-N 232.327 2.748 30 20 BFED C=C(C)CN(C)c1nnc(CCCCC)n1C 1339917121 TXPQUKDSMASXIY-UHFFFAOYSA-N 236.363 2.560 30 20 BFED C=CC(C)(C)COC(=O)[C@H]1CCOC(C)(C)C1 1344882776 XTRNXYRMMPWPFC-NSHDSACASA-N 240.343 2.947 30 20 BFED C=CCCC[C@@H](C)OC(=O)/C=C\c1cn(C)cn1 1347273811 MOLYGQUVNDYICQ-JLVNDZCYSA-N 248.326 2.721 30 20 BFED C=C(CC(C)C)C(=O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 1519803547 MRQSLUUUCZTKGE-WUHRBBMRSA-N 233.355 2.749 30 20 BFED C=CC[C@H]1CCN1[C@@H](C(=O)O)c1ccccc1C 1602855242 KUIMPRLDGVSLBB-GXTWGEPZSA-N 245.322 2.771 30 20 BFED C=CC[C@@H](C)N[C@H](C(=O)O)c1ccccc1C 1609290761 WNWBXMIWZSYWRX-YPMHNXCESA-N 233.311 2.675 30 20 BFED CC#CCSCc1ccc(C(=O)O)cc1F 1609495901 VNPMVGKCATVJOD-UHFFFAOYSA-N 238.283 2.780 30 20 BFED Cc1cc(Sc2ccncc2)ncc1C#N 1655305809 NANLGYYCOGDDGJ-UHFFFAOYSA-N 227.292 2.808 30 20 BFED C=CCCCCCNc1ccc(C(=O)O)cn1 1776173514 PIFREJSNUWVDTD-UHFFFAOYSA-N 234.299 2.938 30 20 BFED N#CCOc1cccc(NC2CCCC2)c1 37069497 GHCKOEKOKRMCOE-UHFFFAOYSA-N 216.284 2.943 30 20 BFED CCN1CCC(Nc2ccc(CC#N)cc2)CC1 37071274 HEMQLCITPRYMDP-UHFFFAOYSA-N 243.354 2.649 30 20 BFED CN(CC#N)Cc1ccc(N2CCCCC2)cc1 53420220 BWTQKQSRFSNDAI-UHFFFAOYSA-N 243.354 2.632 30 20 BFED CCCCCCCN1CCC[C@@H](CN)C1 59089457 NKBPZJLGBJQRQB-ZDUSSCGKSA-N 212.381 2.628 30 20 BFED Cc1ccc(CNc2ccnc(C#N)c2)s1 61812172 XUVURQQXGFHDGV-UHFFFAOYSA-N 229.308 2.935 30 20 BFED CCN(Cc1ccc(C#N)cc1)CC1CC1 69238146 VHTZBSDZVCUGOT-UHFFFAOYSA-N 214.312 2.790 30 20 BFED CC[C@H]1C[C@@H](Nc2cccc(C#N)c2)CCO1 70344631 VPLRLQATJMHKCN-KBPBESRZSA-N 230.311 2.928 30 20 BFED N#Cc1ccc(NCc2ccc(Cl)nc2)nc1 76852747 KUVMKVQVJHMFNV-UHFFFAOYSA-N 244.685 2.614 30 20 BFED C[C@@H](CC#N)N(C)C/C(Cl)=C/Cl 86000110 JPLWMBQIQIUGGH-BJMRUTCWSA-N 207.104 2.539 30 20 BFED CCn1cncc1CNc1cc(C#N)ccc1C 90172963 GYGCVAIFJJZWKC-UHFFFAOYSA-N 240.310 2.695 30 20 BFED CCc1ccc(C2=CCN(CC#N)CC2)cc1 93263314 DKUFFXRKFKRJLN-UHFFFAOYSA-N 226.323 2.862 30 20 BFED C=CCOC(=O)c1ccc(OC(F)(F)F)cc1 98069984 JDVIBUGPDKIPBL-UHFFFAOYSA-N 246.184 2.928 30 20 BFED CCCCCCC[C@@H](C)NC[C@H]1COCCO1 103110735 DSIHLAJWGRJXIV-KGLIPLIRSA-N 243.391 2.740 30 20 BFED C=CC/N=C(\N)Nc1cccc(C(C)C)c1 104152873 ZBZGRZIGAWPRMN-UHFFFAOYSA-N 217.316 2.723 30 20 BFED CCC/C(N)=N/OCc1ccccc1C 105605099 OFYJMMCTEXZYQX-UHFFFAOYSA-N 206.289 2.584 30 20 BFED CCCCCCCCC(=O)NC[C@H](O)C1CC1 109383828 GBJHZBCUJULPAG-ZDUSSCGKSA-N 241.375 2.624 30 20 BFED N#CCCN(CC1CC1)C[C@@H]1C[C@H]2C=C[C@H]1C2 119084677 UREXRYOJCHELSM-KKUMJFAQSA-N 230.355 2.824 30 20 BFED N#Cc1ccsc1NC(=O)C1CC=CC1 119396083 RZUFKEIXNAYEHJ-UHFFFAOYSA-N 218.281 2.524 30 20 BFED CC#CCNC(=O)CCCCCC(C)C 121177291 QWOZMPFZGQCMEW-UHFFFAOYSA-N 209.333 2.732 30 20 BFED CCN(C[C@H](C)C#N)C(=O)[C@H](C)c1ccccc1 121986406 KRZMZWMLVCUXOU-CHWSQXEVSA-N 244.338 2.798 30 20 BFED CCc1nnc(NCC(C)C)c(C#N)c1CC 123215937 HDHCEOWCCDFGMI-UHFFFAOYSA-N 232.331 2.541 30 20 BFED Cc1c(C(=O)N[C@@H](C)C#N)oc2c(C)cccc12 125125023 HKVKEOZPRGDDDI-VIFPVBQESA-N 242.278 2.692 30 20 BFED C=CCCOC(=O)c1cccc(C)c1[N+](=O)[O-] 126627306 IOKPSVQUMRCPAS-UHFFFAOYSA-N 235.239 2.636 30 20 BFED Cc1c([C@@H](C)NC(=O)CC#N)oc2ccccc12 131828679 NOXPKJHEGYMOQZ-SNVBAGLBSA-N 242.278 2.832 30 20 BFED Cc1nnc(N[C@H]2CC[C@H](C)C2)c(C#N)c1C 132735683 YMHMRMOEWZUGCB-KWQFWETISA-N 230.315 2.566 30 20 BFED Cc1[nH]ncc1CCCNCC(C)(C)CCC#N 135144819 RCNAGNCRQBNING-UHFFFAOYSA-N 248.374 2.570 30 20 BFED CCC1(CNC(=O)C2(C#N)CCC2)CCCC1 154717018 MXPZHTOPHCUTHT-UHFFFAOYSA-N 234.343 2.767 30 20 BFED C=C[C@H](C)N[C@@H]1CCc2ccc(OC)cc2C1 159568064 QCTIOVHIYPPUHV-SMDDNHRTSA-N 231.339 2.717 30 20 BFED C=CCN(C)c1cc(COC)nc(C(C)(C)C)n1 160572797 IDPNMJLVIHIVKW-UHFFFAOYSA-N 249.358 2.543 30 20 BFED C#CCCCN[C@@H](C)Cc1ccc(F)cc1 160879004 UOTCVMBGWYMPIB-LBPRGKRZSA-N 219.303 2.760 30 20 BFED CC#CCCNC(=O)[C@H](CC)CCCC 163476649 WDOPYGXEYYTTGB-GFCCVEGCSA-N 209.333 2.732 30 20 BFED C[C@@H]1CCCC[C@@H]1C/N=C(\N)Nc1ccccn1 170910490 XQTTVCFFOIVRCB-VXGBXAGGSA-N 246.358 2.635 30 20 BFED C=CCOCCCC(=O)Nc1cccc(C)c1 173015461 VMWRZAUNSYFMJY-UHFFFAOYSA-N 233.311 2.916 30 20 BFED C=CCCCC(=O)Nc1cc(C)ns1 176434150 XRHNCTVMLNCIHU-UHFFFAOYSA-N 210.302 2.746 30 20 BFED C=CCCOC(=O)c1cn(C(C)(C)C)nc1C 181510502 UPVSJKWKMHULII-UHFFFAOYSA-N 236.315 2.679 30 20 BFED Cc1ccc(C(=O)OCC2(C#N)CCCC2)n1C 183849406 CXXFGNVLTWNABV-UHFFFAOYSA-N 246.310 2.574 30 20 BFED CC[C@@H](CN[C@H]1CCC[C@H](C#N)C1)N1CCCC1 185774951 GSRBYFMBYQNLIV-KKUMJFAQSA-N 249.402 2.533 30 20 BFED C/C=C/C[C@@H](CO)N[C@@H](C)c1ccc(C#N)cc1 186514811 FETATNCXWJXNKY-NMALROFRSA-N 244.338 2.536 30 20 BFED C=C(C)CNC(=O)/C=C/Sc1ccccc1 189424964 ARIYLNUZCKWZOJ-CMDGGOBGSA-N 233.336 2.985 30 20 BFED COC(=O)[C@H](C)S[C@@H](C)c1cccc(C#N)c1 189830092 KNYNPCRBNMHMLK-UWVGGRQHSA-N 249.335 2.914 30 20 BFED CC(C)=CCNC(=O)Nc1cccc(C#N)c1 190546895 CDRLZRPDQYTOEA-UHFFFAOYSA-N 229.283 2.646 30 20 BFED C#CCCCC(=O)OCc1nc(C)c(C)s1 190707397 NPRWCXNGCUWACJ-UHFFFAOYSA-N 237.324 2.607 30 20 BFED C=C(C)CSCc1nccc(OC)c1OC 191135531 YQJHEBOJJYYEDV-UHFFFAOYSA-N 239.340 2.908 30 20 BFED C=CCCC[C@H](C)NCc1cc(C#N)n(C)c1 191561966 XGYLEBCUVVPGOS-LBPRGKRZSA-N 231.343 2.731 30 20 BFED C[C@H](OC(=O)CSCC#N)c1ccccc1 192517989 ZFJILVWASIXOGZ-JTQLQIEISA-N 235.308 2.548 30 20 BFED COc1cc(OC(=O)[C@H](C)C2CC2)ccc1C#N 195162390 WYNWBDGIRJAFJH-SECBINFHSA-N 245.278 2.518 30 20 BFED COCc1ccc(NCc2ccc(C#N)o2)cc1 195462656 FRSSHRLSVUYRCA-UHFFFAOYSA-N 242.278 2.910 30 20 BFED N#Cc1cccc(Br)c1-n1ccnc1 217903760 MHCLAJYDUJLGCU-UHFFFAOYSA-N 248.083 2.506 30 20 BFED N#CCCCNC(=O)c1ccc(Cl)c(F)c1 230074646 VLXMKEAFJLIHQX-UHFFFAOYSA-N 240.665 2.513 30 20 BFED C=CCCC(=O)N[C@H]1CCc2ccccc21 238049856 RKXSIEIXKMSVPU-ZDUSSCGKSA-N 215.296 2.756 30 20 BFED C=CCNC(=S)N(Cc1ccccc1)C1CC1 244143578 UQTFSOJTQVNVFE-UHFFFAOYSA-N 246.379 2.712 30 20 BFED C[C@H]1C[C@@H](C)C[C@H](C(=O)NCCCCC#N)C1 248590750 RQUPOJMUOIJTDB-ITGUQSILSA-N 236.359 2.869 30 20 BFED C(/C=C/c1ccco1)=NNc1ccccn1 254290192 JCKFWGUZPODCQJ-CVKONFARSA-N 213.240 2.786 30 20 BFED CCOC(=O)C(C)(C)Cc1ccc(C#N)cc1 260039230 HNFLHLMCYWFGKE-UHFFFAOYSA-N 231.295 2.690 30 20 BFED Cc1ccccc1C(=O)N[C@H](C#N)C1CCCC1 260090210 SLVWIYUUZNLNFS-CQSZACIVSA-N 242.322 2.807 30 20 BFED C#CCN(CC)C(=O)[C@H]1C[C@@H]1c1sccc1C 269667754 YHWBMDALGBOJBR-RYUDHWBXSA-N 247.363 2.642 30 20 BFED CCCCCC(=O)Nc1cc(C)n(CCC#N)n1 271108286 FSDMKEAGPBZSGP-UHFFFAOYSA-N 248.330 2.624 30 20 BFED C=C1CCN(Cc2cccc(OC)c2OC)CC1 271164303 MWBLOOXKKFOISM-UHFFFAOYSA-N 247.338 2.856 30 20 BFED CC(C)(C#N)CC(=O)Nc1cccnc1Cl 278199302 FTUDNCDZQMVYDU-UHFFFAOYSA-N 237.690 2.613 30 20 BFED CC(C)CCCNC(=O)c1ccc(F)c(C#N)c1 278645725 OFPHPELZNDHAPM-UHFFFAOYSA-N 248.301 2.863 30 20 BFED CC(C)(C#N)CCOc1ccc2oc(=O)oc2c1 281762093 CSLSCYIXPKCJDZ-UHFFFAOYSA-N 247.250 2.705 30 20 BFED C=C(C)Cn1c(C2CC2)nnc1N(C)CC(C)C 283618706 NNHMVJDHSAVEQE-UHFFFAOYSA-N 248.374 2.824 30 20 BFED CO[C@H](C)CN(C)c1ccc(Cl)cc1C#N 286633544 VGZFJEKWGQKSSM-SECBINFHSA-N 238.718 2.683 30 20 BFED C=CCCCN1CC[C@@H](OCc2ccncc2)C1 287781929 NKYMPURZNBOIBN-OAHLLOKOSA-N 246.354 2.639 30 20 BFED CCCCCC(=O)Nc1[nH]nc(C2CC2)c1C#N 290688622 VWOPPBOEOUQEJC-UHFFFAOYSA-N 246.314 2.678 30 20 BFED C#CCCCCC(=O)OCc1occc1C 293451392 JEPDQWGRUXZMNH-UHFFFAOYSA-N 220.268 2.825 30 20 BFED C=CCC(C)(C)CN[C@H](C)c1cnccn1 293819882 WIGGLEGKDVGDJE-LLVKDONJSA-N 219.332 2.730 30 20 BFED C#Cc1cccc(N[C@@H]2C[C@@H](C)O[C@H]2C)c1 294923320 BOQYPQIGNPCLEQ-UHIISALHSA-N 215.296 2.646 30 20 BFED C[C@H](CN1CC(C)(C#N)C1)c1ccccc1 297523186 WYRYMVYERWSIBR-GFCCVEGCSA-N 214.312 2.636 30 20 BFED CCN(Cc1ccccn1)[C@@H](C)CCC#N 298022551 AUNHTROZFAKHIZ-LBPRGKRZSA-N 217.316 2.596 30 20 BFED C=CCn1nnnc1S[C@@H](C)c1ccccc1 299017367 DVXVPNCMWHGMRJ-JTQLQIEISA-N 246.339 2.712 30 20 BFED C#CCN(CC)C(=O)c1ccc(CCC)cc1 299219909 YYEBNYFDRUUSGQ-UHFFFAOYSA-N 229.323 2.734 30 20 BFED CCCCCNc1nc2ccccn2c1C#N 302084020 KEXQMFQXIUSZJI-UHFFFAOYSA-N 228.299 2.808 30 20 BFED C=CCCSc1nc(O)cc(CCC)n1 303750554 BPWJDJGWTGBRIO-UHFFFAOYSA-N 224.329 2.803 30 20 BFED Cc1cc(N)cc(C)c1C=NOC/C=C/Cl 309293629 QWMCGMKYIZNUQF-KTAVOSRASA-N 238.718 2.989 30 20 BFED C=CCN[C@H]1CCCC[C@H]1CN(CC)CC 309659065 QURGTGKUKPLXBO-KBPBESRZSA-N 224.392 2.663 30 20 BFED CCC[C@H]1CCCC[C@@H]1NCC#CCOC 309995469 CBGVHFRLZORWIV-KBPBESRZSA-N 223.360 2.585 30 20 BFED C[C@@H](Nc1cccc(OCC#N)c1)[C@H]1CCCO1 311032441 NNJNSNGKDIHMPC-BXUZGUMPSA-N 246.310 2.568 30 20 BFED CO[C@@H](C)CCC(=O)Nc1cccc(CC#N)c1 313511573 GPKGOJJDJNZGCN-NSHDSACASA-N 246.310 2.506 30 20 BFED CC(C)c1cccnc1N=C(O)[C@@H]1CCCO1 328921047 BKNWUSJWTIIQDG-NSHDSACASA-N 234.299 2.972 30 20 BFED N#CCC1CCN(C(=O)[C@@H]2CC23CCCC3)CC1 334218349 DULDACXPSZFGCD-ZDUSSCGKSA-N 246.354 2.719 30 20 BFED CC[C@]1(C)C[C@@H]1C(=O)N(C)c1ccccc1C#N 334244247 ZHSHKYXNPJKXRX-IUODEOHRSA-N 242.322 2.957 30 20 BFED CC[C@]1(C)CCN(c2ncc(C#N)cc2F)C1 334577525 OWURHJUPVMKIDK-CYBMUJFWSA-N 233.290 2.719 30 20 BFED C=C(C)C(C)(C)C(=O)N(C)c1ncccc1F 335109244 MYAFJIYMVGXVST-UHFFFAOYSA-N 236.290 2.786 30 20 BFED C=CC1CCN(Cc2ccncc2C)CC1 336215642 MSELHPSDNUWPGU-UHFFFAOYSA-N 216.328 2.788 30 20 BFED C=CC(C)(C)C(=O)N1CCC[C@@H](CC)C1 336240809 YFCVBMXXMKRPBZ-LLVKDONJSA-N 209.333 2.847 30 20 BFED C=C[C@H]1CCCCN1C(=O)c1cnn(C(C)C)c1 336304435 LCSSXEHHPDMEQY-ZDUSSCGKSA-N 247.342 2.645 30 20 BFED Cc1cccc(COc2cc(F)cc(C#N)c2)n1 336322559 FGEKGTUKBBTSFY-UHFFFAOYSA-N 242.253 2.980 30 20 BFED N#CCC1CCN(c2cccc(F)c2C#N)CC1 336618752 CKRXCZAEOGUAEY-UHFFFAOYSA-N 243.285 2.827 30 20 BFED CC(C)c1ccoc1C(=O)NCC1(CC#N)CC1 341663579 RQHUJMYTQDEBOZ-UHFFFAOYSA-N 246.310 2.827 30 20 BFED CC(C)CCN(CCC#N)C[C@@H]1CCCOC1 342746375 UAFFANDRORSRHX-AWEZNQCLSA-N 238.375 2.675 30 20 BFED C=C[C@@H](C)NC(=O)c1ccc(OC(C)(C)C)cn1 342827261 LKRJNFFHKRLTED-SNVBAGLBSA-N 248.326 2.563 30 20 BFED C=CCCN(C)Cc1cccc(OCCOC)c1 343446042 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C=C(Cl)COC(=O)CCNc1ccccc1 379455682 NCNAHLOHJLDEDX-UHFFFAOYSA-N 239.702 2.784 30 20 BFED C=CC[C@H](CO)CN[C@@H](CC)C[C@H](C)CC 379466783 YBDYNPKKQZNDRH-RDBSUJKOSA-N 227.392 2.975 30 20 BFED C=C[C@H](COC)NCc1ccc(Cl)s1 379517748 BDSQRJCWNKQGKI-MRVPVSSYSA-N 231.748 2.692 30 20 BFED C[C@H]1CN(CC2(CC#N)CC2)C(C)(C)C1 380364521 GYKLAYPIDBSEET-LLVKDONJSA-N 206.333 2.801 30 20 BFED C#CCN(C)CCCN[C@H]1CCCC12CCCC2 385560560 ZLUZMSPYGWQWCO-HNNXBMFYSA-N 248.414 2.644 30 20 BFED C=CCCC[C@H](C)NCCCc1cnn(C)c1 398071876 JJCZBPGHROYPQR-ZDUSSCGKSA-N 235.375 2.687 30 20 BFED C[C@H](C#N)CN(C)[C@H]1C[C@H]1c1cccc(F)c1 411228056 QGCWPQJITMJFPM-SWHYSGLUSA-N 232.302 2.773 30 20 BFED CCCCOC1CCN([C@H](C)CCC#N)CC1 411293796 BGQFRZKPBPWINL-CYBMUJFWSA-N 238.375 2.960 30 20 BFED C=CCCCC(=O)NC(C)(C)COC(C)C 413998070 JIKQZMXYCYYPTR-UHFFFAOYSA-N 227.348 2.663 30 20 BFED C[C@H](NCC(C)(C)CC#N)c1ccncc1F 414168781 RCASFBHALPZVER-JTQLQIEISA-N 235.306 2.811 30 20 BFED CCOc1ccccc1CNCC1(C#N)CCC1 418143382 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2.686 30 20 BFED CC(C)C[C@@H]1C[C@H]1N[C@H]1CC[C@H](C#N)C1 459658232 OWKUTGDFTUOYKL-QNWHQSFQSA-N 206.333 2.703 30 20 BFED C=CCN(CCC#N)c1ccc(F)cc1[N+](=O)[O-] 488519795 QGYGRQFHVSGARH-UHFFFAOYSA-N 249.245 2.640 30 20 BFED C=C[C@@H]1CCCCN1C(=O)CCCC#CC 488812513 DYOFLNJBDCYMOL-CYBMUJFWSA-N 219.328 2.747 30 20 BFED C#C[C@@H](CC)NC(=O)CCc1cccc(Cl)c1 491395515 SXDSUYJXXYNOHL-ZDUSSCGKSA-N 249.741 2.801 30 20 BFED C#C[C@@H](CCC)NC(=O)N1CCC[C@H]1C(C)C 491642645 XWTHSRNYWQFZTG-STQMWFEESA-N 236.359 2.618 30 20 BFED C=C(CC)CNC(=O)/C=C\c1ccsc1 493769927 HYDWQBAFCZSHBQ-PLNGDYQASA-N 221.325 2.844 30 20 BFED C=CCN(CC=C)Cc1c(C)nc2ccccn12 505876180 GHKLTYGSPBWDDE-UHFFFAOYSA-N 241.338 2.817 30 20 BFED C=CC(C)(C)CCN[C@@H]1C[C@@H](C)N(C)C[C@H]1C 527929773 WLGMXILEERPNCO-MGPQQGTHSA-N 238.419 2.907 30 20 BFED C=CCN(c1nc(C(C)C)ns1)C1CC1 540038660 JNQXFPVSIRNFCL-UHFFFAOYSA-N 223.345 2.816 30 20 BFED C[C@H](C#N)CN[C@H]1CCC[C@@H](c2cccnc2)C1 558631497 XANMAYSQMHLWJP-NFAWXSAZSA-N 243.354 2.857 30 20 BFED CC[C@@H](CC#N)NCc1ccc(CC#N)cc1 567624486 QBLSREWQFZRPOE-AWEZNQCLSA-N 227.311 2.535 30 20 BFED C=CCn1c(CC)nnc1N(CCC)CCC 577988613 YSQGOYLPFPTXOS-UHFFFAOYSA-N 236.363 2.653 30 20 BFED N#Cc1cccc(-c2ccc3ncnc(O)c3c2)c1 585818607 PFPSXWQFOWPZND-UHFFFAOYSA-N 247.257 2.874 30 20 BFED Cc1cc(C#N)cnc1C(=O)N(C(C)C)C(C)C 590981754 ULSNFCXBXOEDOE-UHFFFAOYSA-N 245.326 2.521 30 20 BFED C[C@@H]1CCCC[C@H]1C(=O)N1CCC[C@@](C)(C#N)C1 591777863 KIYJPPAHVYUHGD-NFAWXSAZSA-N 248.370 2.965 30 20 BFED CC[C@@H](C#N)C(=O)N(Cc1ccco1)C(C)C 593427620 WGZXDQWHBPSFSQ-NSHDSACASA-N 234.299 2.566 30 20 BFED CC[C@H](C#N)N(C)C(=O)C[C@H]1CC[C@H](C)C1 594096570 DVERTNFWJJZRRV-SDDRHHMPSA-N 222.332 2.573 30 20 BFED CCC[C@H]1[C@H](C)CCCN1c1ccnc(C#N)n1 594556715 IMLCRIDSPCISOX-NEPJUHHUSA-N 244.342 2.753 30 20 BFED CC[C@@H](CN[C@H](CC)CC#N)CC(F)F 595528280 BMJHUTFXLMBIAT-NXEZZACHSA-N 218.291 2.950 30 20 BFED Cc1cc(C#N)ccc1CN(C1CC1)[C@H](C)C#N 595709000 BALNMULWSGFXSH-GFCCVEGCSA-N 239.322 2.743 30 20 BFED 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C#CCCCCCCN[C@@H](C)C[C@@H]1CCOC1 877093159 OXZJUGBBPKUTMJ-GJZGRUSLSA-N 237.387 2.975 30 20 BFED C#CCCCCCCNC1(C)CCOCC1 877113698 ORNAGXLISKUICX-UHFFFAOYSA-N 223.360 2.729 30 20 BFED C=CC(C)(C)CC(=O)OCc1ccncc1F 891349061 GPVXFINENLAKDH-UHFFFAOYSA-N 237.274 2.866 30 20 BFED C=CC1(OC(=O)c2ccnc(OC(C)C)c2)CC1 893362582 HHDSFZGFFKHIHQ-UHFFFAOYSA-N 247.294 2.744 30 20 BFED C=C1CN(C(=O)c2ccc(C)c(Cl)c2F)C1 898700592 CCINTBUDZRONGK-UHFFFAOYSA-N 239.677 2.800 30 20 BFED C=C1CN(C(=O)CCCc2ccc(F)cc2)C1 898705273 CTHMKDNSYOEFND-UHFFFAOYSA-N 233.286 2.547 30 20 BFED Cc1nc(C=NOCC(F)(F)F)sc1C 901207054 IKGSQBQVFGTWMJ-UHFFFAOYSA-N 238.234 2.673 30 20 BFED C=CC[C@H]1CC[C@H](NCCC(C)(C)C(=O)O)C1 901480843 HOYAJXYGKTZGDR-RYUDHWBXSA-N 239.359 2.822 30 20 BFED C=CCC[C@@H](N[C@H](C)CCC1CC1)C(=O)O 901693982 XZIMUJJGHWSGPY-ZYHUDNBSSA-N 225.332 2.574 30 20 BFED C=CCCC[C@H](N)c1nc(-c2ccoc2C)no1 904722159 QHNPYYBHXWGYCT-NSHDSACASA-N 247.298 2.994 30 20 BFED C=C[C@@H](CC)CC(=O)OCCOC(C)(C)C 909526421 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CCCC(C#N)(CCC)NC(=O)C1CC=CC1 121733795 AAENRIJALRTDAR-UHFFFAOYSA-N 234.343 2.931 30 20 BFED CC(C)(C)[C@@H]1CCN(c2cccc(C#N)n2)C1 128438148 FBDVNCZVQMYBMB-LLVKDONJSA-N 229.327 2.826 30 20 BFED C=CC1CCN(C(=O)[C@@H]2C[C@]2(C)CC)CC1 129966786 CGLXXNGKEOHICX-JSGCOSHPSA-N 221.344 2.847 30 20 BFED C=CCC[C@H](C)Nc1cccc(CO)c1 131956656 HGLYFUFGRIGCCF-NSHDSACASA-N 205.301 2.946 30 20 BFED C#CCCCCNC(=O)Nc1ccccc1C 133826213 VCTGTSYJVHIDMY-UHFFFAOYSA-N 230.311 2.920 30 20 BFED C#CCOc1ccc(F)cc1NC(=O)[C@H](C)CC 156619720 WQLAAOAUENQIMP-SNVBAGLBSA-N 249.285 2.822 30 20 BFED CC#CCN(C)[C@@H](C)c1cc(F)ccc1F 159365228 KABUMMBMBGJLPL-JTQLQIEISA-N 223.266 2.981 30 20 BFED C=C(C)CNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 161307959 KMNANXSUIGPHOO-RYUDHWBXSA-N 221.344 2.917 30 20 BFED C=C(C)CN(C)C(=O)c1cc(C)ccc1F 163115348 MXZXAGOZBGGXJS-UHFFFAOYSA-N 221.275 2.782 30 20 BFED C#CCCOC(=O)CCc1ccc(Cl)cc1 170717603 VMZKKMXKAFNLEB-UHFFFAOYSA-N 236.698 2.839 30 20 BFED C[C@@H](CC#N)Nc1nc2ccccc2o1 171366001 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BFED C=CCCOC(=O)c1ccc(C)c(C(C)=O)c1 195049985 FOPPXBZZSIQBJP-UHFFFAOYSA-N 232.279 2.931 30 20 BFED C[C@H]1C[C@H](Nc2cc(F)cc(C#N)c2)CCN1C 227625512 LMGJHTGXZIWVPM-GXFFZTMASA-N 247.317 2.592 30 20 BFED CCC[C@H](CCO)CNc1ccc(C#N)cc1 231147438 SXLKCHCDBAQWQG-CYBMUJFWSA-N 232.327 2.769 30 20 BFED C=CCCNCc1occc1Br 232454112 LJYNIJALXSKGIH-UHFFFAOYSA-N 230.105 2.708 30 20 BFED N#Cc1ccnc(NC[C@H]2C[C@H]3CC[C@H]2C3)c1 250262218 XZROFSRODWMVFZ-WCFLWFBJSA-N 227.311 2.801 30 20 BFED C=CCCC(=O)Nc1ccc(C)c(NC(C)=O)c1 263698785 SWJXOBDMOLFNLP-UHFFFAOYSA-N 246.310 2.858 30 20 BFED C=CCC[C@H](C)N[C@@H](CO)c1ccc(F)cc1 273490360 OCALWUXKSYFZCZ-FZMZJTMJSA-N 237.318 2.803 30 20 BFED C=C(Cl)CNC(=O)C[C@H]1CCC[C@@H]1C 274421067 QGRNZGQWFUEEFZ-WCBMZHEXSA-N 215.724 2.681 30 20 BFED C=CCN(C)C(=O)[C@@H](C)SCCCC 275008187 IJJWGHDNHWSDBY-SNVBAGLBSA-N 215.362 2.553 30 20 BFED C=CCCN(C)Cc1ccc(-n2cccn2)cc1 276395189 JVKNBXYFYLDZMB-UHFFFAOYSA-N 241.338 2.880 30 20 BFED C#CCCCC(=O)Nc1ccc(SC)cn1 277097575 LBQQLUBRFUVHGI-UHFFFAOYSA-N 234.324 2.546 30 20 BFED C=CCCC(=O)N1CCc2cccc(C)c2C1 277342865 WEUWVSXBDGCCPS-UHFFFAOYSA-N 229.323 2.846 30 20 BFED Cc1ccccc1NC(=O)CC(C)(C)C#N 278247870 MIUPJBJFBJQIIE-UHFFFAOYSA-N 216.284 2.873 30 20 BFED CC(C)(C#N)CC(=O)Nc1cccc(Cl)n1 278387811 RNAXCNTYAQYXFT-UHFFFAOYSA-N 237.690 2.613 30 20 BFED C=CCNC(=O)[C@@H](C)S[C@@H](CC)CCC 279956028 NNIZWLGNDHOQHB-MNOVXSKESA-N 229.389 2.989 30 20 BFED CCN(CC)/C(N)=N/[C@H]1C[C@H](c2ccccc2)C1 280627261 SKDVSYJDXPVJDJ-HDJSIYSDSA-N 245.370 2.589 30 20 BFED C#CCCCc1nc([C@@H]2CCC(F)(F)C2)no1 289296449 VQRNXSRBLLQPPB-SECBINFHSA-N 240.253 2.928 30 20 BFED C=C[C@@H](CO)N[C@H](CC)c1ccc(F)cc1F 289917950 USBWMUQQCJXYAG-GXFFZTMASA-N 241.281 2.552 30 20 BFED CC(C)N(C)C(=O)Nc1ccc(C#N)c(F)c1 290268793 VZPZFMOOIRGNDP-UHFFFAOYSA-N 235.262 2.569 30 20 BFED N#Cc1ncccc1NCCC[C@H]1CCCCO1 291017985 WZCPTAXWKOGFGS-GFCCVEGCSA-N 245.326 2.714 30 20 BFED C=CCN(CCC#N)Cc1cccnc1Cl 292052732 BJMUPCAQWGHVGC-UHFFFAOYSA-N 235.718 2.637 30 20 BFED C=CCN(Cc1nc(C)n[nH]1)CC1CCCCC1 292433277 MGYTVQDARCSABT-UHFFFAOYSA-N 248.374 2.681 30 20 BFED COc1cccc(CN(C)[C@H]2CC[C@@H](C#N)C2)c1 293615923 VXWYORWXKYTVCR-OCCSQVGLSA-N 244.338 2.819 30 20 BFED C=CC(C)(C)C(=O)Nc1cccc(F)c1 294303375 XDWHNFGUXYLSGH-UHFFFAOYSA-N 207.248 2.976 30 20 BFED C=CCCCC(=O)NCC(C)(C)c1ccccn1 295380112 GWCRZRKYFAISKW-UHFFFAOYSA-N 246.354 2.832 30 20 BFED C[C@@H]1CC[C@@H](Nc2ccc(C#N)nn2)[C@H](C)C1 301960279 HKSPUVGQDDFDRQ-CKYFFXLPSA-N 230.315 2.585 30 20 BFED C#C[C@@H](NC(=O)c1cc(C)cc(F)c1)C(C)C 304187232 SMJFDDBRRLTDTB-CYBMUJFWSA-N 233.286 2.522 30 20 BFED N#Cc1ccncc1N[C@@H]1CCC(F)(F)C1 309542254 GOVHMQHXUVNRNC-SECBINFHSA-N 223.226 2.553 30 20 BFED CC1(C)C[C@@H]1Nc1c(C#N)cccc1C#N 309804960 RYKKVYXBHZREPC-NSHDSACASA-N 211.268 2.640 30 20 BFED CCCCCCCN[C@@H](C)c1nc(C)no1 310017466 LMDRKEBOJXGWON-JTQLQIEISA-N 225.336 2.999 30 20 BFED CC[C@H](CC#N)NCC1(OC)CCCCC1 310020394 MYWCRLKVLHMZOX-GFCCVEGCSA-N 224.348 2.618 30 20 BFED CC1(C)CN(c2ccc(C#N)cc2)CCCO1 310572225 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30 20 BFED CCC[C@@H](C)CC(=O)N1CCC(F)(C#N)CC1 355977863 DPNNARBWPIBEMC-LLVKDONJSA-N 240.322 2.667 30 20 BFED N#Cc1ncccc1NCC1Cc2ccccc2C1 357540572 TWABHVMUMCJSIF-UHFFFAOYSA-N 249.317 2.780 30 20 BFED C=CCNC(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C 359165972 JBLKRDNIEUMAEI-WOPDTQHZSA-N 224.348 2.544 30 20 BFED C=C(C)CN1CCc2cc(C)ccc2C1 361842802 NATOYVUVIGKNHB-UHFFFAOYSA-N 201.313 2.929 30 20 BFED C#C[C@H](C)NC1CCN([C@@H]2CCCC[C@H]2C)CC1 368041624 UQQAKHHYLIPYBV-IJEWVQPXSA-N 248.414 2.641 30 20 BFED C#CCN1CCCC[C@@H]1c1nc2ccccc2o1 372583376 DWWRKVAPYZHWCR-CYBMUJFWSA-N 240.306 2.988 30 20 BFED C=CCN[C@H](c1ccccc1)C1CCOCC1 378464913 DZVSYCVXFXGQRM-OAHLLOKOSA-N 231.339 2.930 30 20 BFED C=C(C)CCNC(=O)c1ccc(F)cc1 386809750 RNLRFXOWAJCSBI-UHFFFAOYSA-N 207.248 2.522 30 20 BFED C#CCCCN[C@@H](CC)c1c(C)noc1C 390435608 RVOQOPXXBDDPJE-LBPRGKRZSA-N 220.316 2.746 30 20 BFED CCC(CC)C(=O)N1CCC[C@H](CC#N)C1 397641313 RCHLFJDYWZWQLK-LLVKDONJSA-N 222.332 2.575 30 20 BFED C=CCCC[C@H](C)Nc1nccc(C#N)n1 398019655 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CC(C)ON=Cc1cc2cnccc2o1 844600592 MXTABSKXUHLWBO-UHFFFAOYSA-N 204.229 2.587 30 20 BFED C=C(C)CON=C(COC)Cc1ccccc1 844619476 FSGFBCXZLCMJPN-UHFFFAOYSA-N 233.311 2.824 30 20 BFED C=CCC1(CNC(=N)NC(C)C)CCCC1 849038799 VIILZKQMJSPAFE-UHFFFAOYSA-N 223.364 2.645 30 20 BFED CC#CCCOC(=O)CC[C@H]1CC1(Cl)Cl 849876044 NPIZLZYNBCVUAB-VIFPVBQESA-N 249.137 2.917 30 20 BFED Cc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@@H](C)C#N 850043710 FOFBABGKAGSLDQ-WCFLWFBJSA-N 229.279 2.554 30 20 BFED C#CCOCCN[C@@H](c1ccccc1)C1CCC1 851839221 JVBJQYNYHNXVRP-INIZCTEOSA-N 243.350 2.767 30 20 BFED Cc1cccnc1NN=Cc1nccn1C(C)C 853338779 RNTOONRWGQKIGB-UHFFFAOYSA-N 243.314 2.613 30 20 BFED Clc1cc(NN=CC[C@@H]2CCOC2)ccn1 853395001 HMPJAXSSQHVJNC-SECBINFHSA-N 239.706 2.559 30 20 BFED C#CCCCCCC(=O)N[C@]1(C)CC1(C)C 856136411 MDJPCCXRHLQEDJ-CQSZACIVSA-N 221.344 2.875 30 20 BFED C=CCCCCOC(=O)c1cn(CC)nc1C 860207358 LMESWYCRXWZXBO-UHFFFAOYSA-N 236.315 2.725 30 20 BFED CCC[C@H](OCC)C(=O)OCC(C)(C)CC#N 860659219 ZJUDZHKLESVKFQ-NSHDSACASA-N 241.331 2.675 30 20 BFED CC[C@@](C)(C#N)C(=O)OCc1cnc(C2CC2)o1 861377093 OJUWUUVQODIKNP-ZDUSSCGKSA-N 248.282 2.535 30 20 BFED CC(C)CNN=Cc1ccc2cc[nH]c2c1 863104889 RZFCTQVALQNWMV-UHFFFAOYSA-N 215.300 2.747 30 20 BFED C#CCCN(CCOC)Cc1ccc(C)cc1F 877641477 VQKFKVWLQZERPF-UHFFFAOYSA-N 249.329 2.606 30 20 BFED C=CCc1ccc(OCCOC2CC2)c(OC)c1 877874414 KDBQDTSSMDJQLO-UHFFFAOYSA-N 248.322 2.982 30 20 BFED CC[C@H]1CN(c2ccc(C)nc2C#N)CCS1 882034390 SHUFKTMFCJWVHC-NSHDSACASA-N 247.367 2.594 30 20 BFED C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1C=CCC1 883840159 CBTWSVWADUPWSN-CHWSQXEVSA-N 234.343 2.703 30 20 BFED C#Cc1ccc(NC(=O)CCC2CC2)cc1 891314404 QPAZBYIPTBYJIQ-UHFFFAOYSA-N 213.280 2.797 30 20 BFED C[C@H]1CCC[C@@H]1CNc1ccc(C#N)cc1CO 893675838 OGTYJDINEAJBAQ-WCQYABFASA-N 244.338 2.899 30 20 BFED C=CC(C)(C)CNC(=O)N1CCC=C(Cl)C1 895159901 IUBWZTKKEDXRCY-UHFFFAOYSA-N 242.750 2.737 30 20 BFED C=C1CCC(C(=O)NC[C@H]2C[C@H]2C)CC1 895723279 ULLSSPUPFMDWCN-ZYHUDNBSSA-N 207.317 2.505 30 20 BFED C=CC[C@@H]1CCCN(C(=O)NC/C=C/Cl)C1 899034110 HIJYNTNOHDLYQM-TZOMUSMUSA-N 242.750 2.737 30 20 BFED FC(F)CON=C1CC2(CCCC2)C1 901217818 RUPFGQPLFSXUJP-UHFFFAOYSA-N 203.232 2.978 30 20 BFED C=CC[S@@](=O)Cc1ccccc1OC(C)C 905184882 PPPKRSADNAABRX-MRXNPFEDSA-N 238.352 2.909 30 20 BFED C=CCN(C(=O)Cc1cccs1)C(C)C 914683135 HRZRIVXZPJBCLJ-UHFFFAOYSA-N 223.341 2.714 30 20 BFED CCCCCCCCSc1nnc(O)n1C 915794446 JZQDAMLMCFUIBX-UHFFFAOYSA-N 243.376 2.973 30 20 BFED C#CCN(CC)C(=O)NCCC1CCCCC1 919905516 FTXOUWDYUCFCJP-UHFFFAOYSA-N 236.359 2.622 30 20 BFED C[C@@H](NN=Cc1cccnc1)c1ccccc1 920385687 GDLXXXYCRNXNPW-GFCCVEGCSA-N 225.295 2.766 30 20 BFED C=C1CN(C(=O)Nc2cc(F)ccc2C)C1 929182941 LQYCNTXCQRNBFO-UHFFFAOYSA-N 220.247 2.538 30 20 BFED C=C[C@@H](CC)CC(=O)N1CCC(C)CC1 929211394 HFGRYNKKQKOQOQ-LBPRGKRZSA-N 209.333 2.847 30 20 BFED CCOc1ccc(CN2CCC[C@@H](C#N)C2)cc1 932160119 VBFMBHLMMICVQS-AWEZNQCLSA-N 244.338 2.821 30 20 BFED C=C[C@H](COC)NC(=O)Nc1cc(C)cc(C)c1 1116646310 ZYQWGVLDUDLJIJ-GFCCVEGCSA-N 248.326 2.626 30 20 BFED C[C@H]1CC[C@H](C)N1c1cccc(CC#N)n1 1116662088 PCCFNXILIDDOMD-QWRGUYRKSA-N 215.300 2.525 30 20 BFED C=CCCO[C@H](C)c1nnc(C2CC2)o1 1117158205 IYAHPVLSFFODBL-MRVPVSSYSA-N 208.261 2.601 30 20 BFED C=CC1(OC(=O)c2cc(O)nc(CCC)c2)CC1 1123304867 UIZKLLOZVZEOKB-UHFFFAOYSA-N 247.294 2.615 30 20 BFED C=C(C)CCC(=O)Nc1ccccc1CC(=O)O 1123378838 LUHWGZHMQYVBSZ-UHFFFAOYSA-N 247.294 2.609 30 20 BFED N#CCCCCNc1cc(Cl)ccn1 1157637943 LIMJHRCRCHLWNS-UHFFFAOYSA-N 209.680 2.841 30 20 BFED C=CCCCC(=O)NC1(C(F)(F)F)CC1 1252852201 MGBZMAFHFVQOEW-UHFFFAOYSA-N 221.222 2.554 30 20 BFED CC(C)(C)ON=Cc1cccn1C1CC1 1261278105 WTBYEAXNTRCRNM-UHFFFAOYSA-N 206.289 2.972 30 20 BFED C=C(CC)C(=O)N1CCCc2occc2C1 1263826286 DIHOCZHZHMSCQQ-UHFFFAOYSA-N 219.284 2.521 30 20 BFED C=C[C@@H](COC)Nc1nc2cc(C)ccc2o1 1320294462 MWPMVDZNCWSYNC-JTQLQIEISA-N 232.283 2.749 30 20 BFED COc1cc(F)cc(N[C@H]2CC[C@@H](C#N)C2)c1 1321219788 HGQBAADNACCGSK-KOLCDFICSA-N 234.274 2.938 30 20 BFED C=C(C)CCNC(=O)c1occ(C)c1C 1326588522 WJZCVOUTKRDJFL-UHFFFAOYSA-N 207.273 2.592 30 20 BFED Cc1cc(C#N)cc(NC(=O)[C@H]2CC=CCC2)n1 1331340305 XXSQFTCZOUIFSM-LBPRGKRZSA-N 241.294 2.557 30 20 BFED C=C(C)CCC(=O)N1C[C@@H](C)OC2(CCC2)C1 1335966409 JBFJVOKIONQPFH-GFCCVEGCSA-N 237.343 2.513 30 20 BFED C=C(C)CCC(=O)N[C@](C)(C#N)C(C)(C)C 1337332903 PHRRWGDFBFFNHI-CYBMUJFWSA-N 222.332 2.787 30 20 BFED C=C(C)CCC(=O)OC1CCSCC1 1344283948 KVYPQVGBTIXPLB-UHFFFAOYSA-N 214.330 2.782 30 20 BFED C=C(CC)C(=O)NC[C@@H](C)c1ncc(C)s1 1346561889 LCCVQVASOAPXIF-SECBINFHSA-N 238.356 2.637 30 20 BFED C#CCC(C)(C)C(=O)Nc1noc2c1CCCC2 1355091333 UFPYDZRFEYQBEN-UHFFFAOYSA-N 246.310 2.541 30 20 BFED C=C(C)CN(C)Cc1cccc2c1OCC2 1355312305 KMPOFWGSFNINBM-UHFFFAOYSA-N 217.312 2.629 30 20 BFED C=CC(C)(C)CCOC(=O)[C@@H](F)CC 1516080126 XERDVOZCUZXVSV-VIFPVBQESA-N 202.269 2.880 30 20 BFED C=CCCN(C)C(=O)c1ccc(OC)c(C)c1 1527985323 GBEGBIISOPOONQ-UHFFFAOYSA-N 233.311 2.652 30 20 BFED C=CCCCNCc1[nH]cc(C(=O)O)c1C1CC1 1602875028 QVZZQXFMUAXNNI-UHFFFAOYSA-N 248.326 2.646 30 20 BFED C=C(C)CCCN1C[C@H](C)CC[C@@H]1C(=O)O 1776138649 UHHNHVVLIWZINF-VXGBXAGGSA-N 225.332 2.528 30 20 BFED C=C[C@@H]1CCCN([C@@H](C(=O)O)c2ccccc2)C1 1776150280 FDFMBDMPRKKEGB-TZMCWYRMSA-N 245.322 2.710 30 20 BFED C=CC[C@@H](NC[C@H]1CCC[C@@H](CC)C1)C(=O)O 1776185427 IQDZWVODYKZJTJ-FRRDWIJNSA-N 239.359 2.822 30 20 BFED N#CCCN[C@@H]1CC[C@@H]2CCCC[C@H]2C1 35009900 OXRMFKICQIWISE-RWMBFGLXSA-N 206.333 2.849 30 20 BFED Cc1nnc(N2CCCCCCC2)c(C#N)c1C 40217325 AYKDOKKMOYNDID-UHFFFAOYSA-N 244.342 2.736 30 20 BFED C[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 43330065 BTJFEUNTLRHDEO-LLVKDONJSA-N 243.310 2.822 30 20 BFED Cc1cc(C)c(C#N)c(NC2CCC2)n1 52211459 UTMQDMLRCNOXRU-UHFFFAOYSA-N 201.273 2.535 30 20 BFED C=CCN(CC=C)Cc1cccc(OC)c1 52868381 FFJTZFJVCKBNBJ-UHFFFAOYSA-N 217.312 2.869 30 20 BFED Cc1sc(NC(=O)[C@@H]2C[C@@H]2C)c(C#N)c1C 60391185 PMADCYPTLLJVOO-IMTBSYHQSA-N 234.324 2.831 30 20 BFED C[C@H](CC1CC1)NCc1ccc(C#N)cc1 69663879 XXJWCYFJXSEGNF-LLVKDONJSA-N 214.312 2.836 30 20 BFED CCOc1ccc(N(CCC#N)C(=O)CC)cc1 72678927 UVGSRHKBWALSAW-UHFFFAOYSA-N 246.310 2.742 30 20 BFED C#Cc1cccc(NCc2nc(CCC)no2)c1 79156996 UXKAUHZQJBGLCD-UHFFFAOYSA-N 241.294 2.616 30 20 BFED CC1(Nc2cccc(C#N)n2)CCCC1 81595804 NCEKVTAHLOFTNN-UHFFFAOYSA-N 201.273 2.698 30 20 BFED N#C[C@@H](OC(=O)c1ccncc1)C1CCCCC1 84555051 ZLCYDCPUKHZTTK-CYBMUJFWSA-N 244.294 2.711 30 20 BFED C#CCCCCN[C@H](C)c1ccccn1 90398297 VNCSMSYKAHIAIH-GFCCVEGCSA-N 202.301 2.536 30 20 BFED C#Cc1cccc(N(CC)C(=O)[C@@H](C)SC)c1 103027583 WYEZEFVTWBVROK-LLVKDONJSA-N 247.363 2.772 30 20 BFED CC[C@@H](C)N(C)Cc1ccc(F)cc1C#N 104688199 YHHLUBJJUKSSAA-SNVBAGLBSA-N 220.291 2.928 30 20 BFED C[C@@H]1CCCN(c2cccc(F)c2C#N)C1 105736165 HMBHLFLQPYGMHV-SNVBAGLBSA-N 218.275 2.934 30 20 BFED N#CCCN(Cc1cccc(O)c1)CC1CC1 112978479 ISUCZFXQKONPFW-UHFFFAOYSA-N 230.311 2.518 30 20 BFED CCCCCCCN[C@@H](C)CCOC 113182281 OIJKCJWNLVGCAA-LBPRGKRZSA-N 201.354 2.971 30 20 BFED CCCCCCCCNC(C)(C)C(=O)O 114538058 JARQWGFBIRVMLN-UHFFFAOYSA-N 215.337 2.800 30 20 BFED Cc1ccc(CNc2cccc(C#N)c2)nc1 121737153 VSJCWGLDXAPWSU-UHFFFAOYSA-N 223.279 2.874 30 20 BFED C=C[C@@H](C)NC(=O)c1cc(Cl)ncc1Cl 121877727 IUYJBVKURASBQV-ZCFIWIBFSA-N 245.109 2.693 30 20 BFED C=CCN(CC=C)C(=O)Cc1ccc(CC)cc1 133357225 FBFHMABWNLEMEP-UHFFFAOYSA-N 243.350 2.992 30 20 BFED CSC[C@H](C)N[C@@H](C)c1cccc(C#N)c1 135522605 ZSHDYOZSIIDZSN-QWRGUYRKSA-N 234.368 2.960 30 20 BFED C=C(Cl)CN1CC[C@H](C)[C@@H](n2ccnc2)C1 136096492 XWGAGOWSFCDFHJ-JQWIXIFHSA-N 239.750 2.519 30 20 BFED CCCCCCCCOC(=O)[C@@H](C)OC 141790447 ZRLWBAZSUGGXBO-LLVKDONJSA-N 216.321 2.925 30 20 BFED CCN(C(=O)[C@@H](C)C1CC1)c1ccc(C#N)cc1 152097106 OBAIJVHEAAEQRN-NSHDSACASA-N 242.322 2.957 30 20 BFED CC1(NC(=O)Nc2ccc(CC#N)cc2)CCC1 153205502 FDEBTRKNSYPADT-UHFFFAOYSA-N 243.310 2.817 30 20 BFED COc1ccc(C#N)cc1CN(C(C)C)C1CC1 156144268 KBVCSYAHAWCFCH-UHFFFAOYSA-N 244.338 2.940 30 20 BFED O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2C=CCCC2)c1 158176682 SJSDZLPSNGMZMO-ZECSTPGPSA-N 246.266 2.828 30 20 BFED C=C(C)CN[C@@H](C)c1cnn(C(C)C)c1 159847118 MSWGIXKNLUTDRI-NSHDSACASA-N 207.321 2.691 30 20 BFED C=CC[C@@H](C)NCc1ccc(C(=O)OC)cc1 164697899 NVOAHYQTZGUSHC-LLVKDONJSA-N 233.311 2.527 30 20 BFED C=C(C)COC(=O)c1ccc(SCC)nc1 170819834 BGNKGGLKDFFQNL-UHFFFAOYSA-N 237.324 2.927 30 20 BFED C=C(C)COc1cccc(NC(=O)OC)c1 171014585 KHPGUSLLYUFIAQ-UHFFFAOYSA-N 221.256 2.820 30 20 BFED C=CCNC(=O)Nc1cccc(C(F)F)c1 171390306 FHOCZLVDHFQFAP-UHFFFAOYSA-N 226.226 2.932 30 20 BFED COC[C@H](C)SCc1ccccc1C#N 173736992 VZGHXDBMYXWNOV-JTQLQIEISA-N 221.325 2.826 30 20 BFED CC#CCOC(=O)CCC1CCCCC1 174212930 FXJPZWNBKXWKAS-UHFFFAOYSA-N 208.301 2.913 30 20 BFED Cc1ccc(CCNCc2ccc(C#N)o2)cc1 174402443 WRYDSLVJKRTWQH-UHFFFAOYSA-N 240.306 2.792 30 20 BFED C#CCCCCNC(=O)N(C1CC1)[C@@H](C)C1CC1 177235170 QGXWIOXSVDNSIH-LBPRGKRZSA-N 248.370 2.762 30 20 BFED COC(=O)[C@@H](C)S[C@H](C#N)C1CCCCC1 177236765 QTLMWCIGXHVJMC-MWLCHTKSSA-N 241.356 2.754 30 20 BFED CCC1(C(=O)OCCCC#N)CCCC1 177336248 ZOGUBJRZFZSWPQ-UHFFFAOYSA-N 209.289 2.804 30 20 BFED Cc1cc(C(=O)O[C@@H]2CC[C@H](C#N)C2)c(C)o1 178785906 ADUQESHZMFIGJY-WDEREUQCSA-N 233.267 2.746 30 20 BFED C[C@@H]1c2cccn2CCN1Cc1ccc(C#N)o1 179565566 FYLSEFMKYZUPOL-LLVKDONJSA-N 241.294 2.530 30 20 BFED CCCc1nnc(NCc2ccc(C#N)cc2)o1 181948790 JOFTWJIZSXZWRO-UHFFFAOYSA-N 242.282 2.506 30 20 BFED C=CCCCN[C@H](C(=O)OCC)[C@H](C)CC 183602741 DCPYIRBJXQVRIL-NEPJUHHUSA-N 227.348 2.520 30 20 BFED CCCC[C@@H](/N=C/c1ccccc1O)C(=O)OC 184306002 XKEHSRXUTPMHME-JXCQQFQQSA-N 249.310 2.543 30 20 BFED COc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 185754877 QDDJBQMUKZMTMW-KGLIPLIRSA-N 244.338 2.867 30 20 BFED C=CC[C@H](C)NCc1nccn1-c1ccccc1 191104759 OVZATPFRANCOBP-ZDUSSCGKSA-N 241.338 2.927 30 20 BFED C[C@@H](C#N)CNC(=O)c1ccc(C2CCC2)cc1 191550124 WTVOARLFLKQCPF-NSHDSACASA-N 242.322 2.844 30 20 BFED C/C(=C\C(=O)OCc1ccc(C#N)cc1)C1CC1 193953020 BXAAILIWRPGZRL-DHZHZOJOSA-N 241.290 2.958 30 20 BFED C=CCSCCNC(=O)c1cc(C)cc(C)c1 194503253 MWJQQMGAZSVVSC-UHFFFAOYSA-N 249.379 2.952 30 20 BFED C#C[C@H](CC)N[C@H](C)CCc1ccco1 229521922 GVYDTFRFEROOMM-VXGBXAGGSA-N 205.301 2.602 30 20 BFED C[C@H](NCC[C@H]1CCOC1)c1cccc(C#N)c1 230410633 CPRDCWHDKJOECA-STQMWFEESA-N 244.338 2.635 30 20 BFED Cc1nnc(SCc2cccc(C#N)c2F)o1 231029295 WXRSFHNOEDVTTH-UHFFFAOYSA-N 249.270 2.681 30 20 BFED N#Cc1ccnc(N[C@H]2CCSC2)c1Cl 236059207 ZXZHWKNUGRNFDK-QMMMGPOBSA-N 239.731 2.524 30 20 BFED C[C@@H]1[C@@H](Nc2nccnc2C#N)CCC[C@H]1C 252218029 YGAGSEGJMNIULS-VWYCJHECSA-N 230.315 2.585 30 20 BFED C=CCCN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 252956616 JWUHJKYFZRBNDX-XGFWRYKXSA-N 205.345 2.977 30 20 BFED CN(CC1(C#N)CC1)c1ccc(F)cc1 259001245 WJTPQCNZCPPAOV-UHFFFAOYSA-N 204.248 2.566 30 20 BFED Cc1cc(CSCCCCC#N)on1 268755039 XDZFWGUTZRVBGE-UHFFFAOYSA-N 210.302 2.910 30 20 BFED C=C(CNC1CCN(CC)CC1)c1ccccc1 268813257 JQJNBMXTSWHCDV-UHFFFAOYSA-N 244.382 2.774 30 20 BFED CCCN(CC#N)Cc1ccc(OC)c(C)c1 271143356 QHTWNZDUNIAASY-UHFFFAOYSA-N 232.327 2.739 30 20 BFED C=C1CCN(Cc2cnn(C(C)C)c2)CC1 271160830 KKTPHRTZQCGKKJ-UHFFFAOYSA-N 219.332 2.616 30 20 BFED CCCN(CC#N)C(=O)c1csc(C)c1C 271389658 UVXPOOJYXSVBLO-UHFFFAOYSA-N 236.340 2.741 30 20 BFED C[C@@H](CCCc1ccccc1)C(=O)N(C)CC#N 271710709 GYLDQTCLNGCNST-ZDUSSCGKSA-N 244.338 2.627 30 20 BFED C[C@H](O)C[C@@H](C)CN[C@@H](C)c1cccc(C#N)c1 271882259 PTTKMXBRTZKAQW-AGIUHOORSA-N 246.354 2.616 30 20 BFED C=CCN(CC=C)C(=O)[C@@H](C)[C@H](C)CC 272485976 RLWXVRHHBSEGSZ-NEPJUHHUSA-N 209.333 2.869 30 20 BFED C#CCN(C(=O)c1cccc(C)c1C)C1CC1 274058302 OMDXNPPHIQFCDL-UHFFFAOYSA-N 227.307 2.541 30 20 BFED C=CCCCc1nc(C2(OC)CCC2)no1 274190607 ZZZKCRGLWQACRQ-UHFFFAOYSA-N 222.288 2.604 30 20 BFED C=CCCN(C)C(=O)CCNc1ccccc1C 276322895 ZCBZKKQWKMGQLZ-UHFFFAOYSA-N 246.354 2.832 30 20 BFED C=CC[C@@H](CC)NC(=O)c1cc(C#N)oc1C 281103724 QJUXHNNOAQXURI-SNVBAGLBSA-N 232.283 2.544 30 20 BFED C=CC[C@@H](CC)NC(=O)c1scnc1CC 281281536 HUWKNJQUJJZVBW-SECBINFHSA-N 238.356 2.790 30 20 BFED C=CC[C@@H](CC)NCc1c(CC)nn(C)c1CC 281424459 ZDRXOSRIKPYUOU-GFCCVEGCSA-N 249.402 2.989 30 20 BFED C=CCn1c([C@@H](C)CC)nnc1N1CCCCC1 282756234 ZDXKBWDKAXEYRX-LBPRGKRZSA-N 248.374 2.968 30 20 BFED CC#CCCOc1cccc2c1CCCC(=O)N2 285317421 XLKOEVHWBHUABF-UHFFFAOYSA-N 243.306 2.754 30 20 BFED C=C(CNC(=O)N(C)CC(C)C)c1ccccc1 286756900 PJBFKGOLRIYVPE-UHFFFAOYSA-N 246.354 2.997 30 20 BFED CO[C@@]1(C)C[C@@H](Nc2cccnc2C#N)C1(C)C 290522371 COAHINRKQPMBQF-OCCSQVGLSA-N 245.326 2.569 30 20 BFED C=CCCCS(=O)(=O)Oc1cccc(F)c1 292913611 HNJGVDGVOHJVPZ-UHFFFAOYSA-N 244.287 2.501 30 20 BFED CCC[C@@H](CNc1cccc(F)c1C#N)OC 293556723 CHDUYBXOXKCPPS-JTQLQIEISA-N 236.290 2.924 30 20 BFED C=CCC(C)(C)C(=O)NCc1ccc(O)cc1 293571001 BOSGXMNRRPIILQ-UHFFFAOYSA-N 233.311 2.611 30 20 BFED C=CC(C)(C)C(=O)OCc1ccc([N+](=O)[O-])cc1 295895241 BRACZHWYKFRSHC-UHFFFAOYSA-N 249.266 2.850 30 20 BFED C=CCCc1noc([C@@H]2O[C@@H](C)C[C@H]2C)n1 297264020 KEWDBFNZXLFIIS-WCABBAIRSA-N 222.288 2.674 30 20 BFED C=CCOc1ccccc1CNc1ncccn1 301259577 OHAAXSQAACJPAM-UHFFFAOYSA-N 241.294 2.654 30 20 BFED C[C@H]1[C@H](C)CCN1c1c(C#N)cccc1C#N 302888401 OKHGGDQISISUKG-MNOVXSKESA-N 225.295 2.665 30 20 BFED C[C@]1(c2ccc(F)cc2Cl)O[C@@H]1C#N 306521024 KLOFTXCGNJWSAX-NXEZZACHSA-N 211.623 2.617 30 20 BFED C#C[C@H](CCC)NC(=O)[C@H](CC)CC(C)C 308020309 NEJUACLOFXEKTG-CHWSQXEVSA-N 223.360 2.977 30 20 BFED C=C[C@H](COC)N[C@@H](C)c1ccc(Cl)nc1 309442575 IXKZDIAHRYIKRO-GXSJLCMTSA-N 240.734 2.587 30 20 BFED C=CCC[C@@H](CC)NCCN1CC[C@H](C)C1 309629565 GQQPSXVYGXPCJG-UONOGXRCSA-N 224.392 2.663 30 20 BFED C#CCCCNCc1ncc(C(C)(C)C)s1 309682203 NMEWNFAIBLDCIP-UHFFFAOYSA-N 236.384 2.944 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@H](CCC)C(=O)OC 309696769 LHLQSALNGRHVPH-SDDRHHMPSA-N 227.348 2.518 30 20 BFED C=C[C@H](CO)N[C@H](C)c1ccccc1SC 309895545 FTRHESKXZMYDMM-GHMZBOCLSA-N 237.368 2.606 30 20 BFED C[C@H](C(=O)N(CC#N)C1CCCC1)C(C)(F)F 328230805 DJFHXUNVMIBCCG-SECBINFHSA-N 244.285 2.572 30 20 BFED C=C(CC)CN1CCN(C)CC12CCCCC2 334434059 NIOAJKUYOYVYOF-UHFFFAOYSA-N 236.403 2.903 30 20 BFED CC1(C)CC[C@H](Oc2ccc(C#N)cc2F)C1=O 334812940 QXTCFYVLPTZGIK-LBPRGKRZSA-N 247.269 2.834 30 20 BFED 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229.279 2.802 30 20 BFED CCON=Cc1cc(F)cc2cccnc12 760241062 ZQCYTPDCMVBMLJ-UHFFFAOYSA-N 218.231 2.744 30 20 BFED CCc1ccccc1NN=C1CCN2CCC[C@H]12 765573194 IJRZOTFNFZAFNN-OAHLLOKOSA-N 243.354 2.885 30 20 BFED Fc1ccc(/C=C/C=NNCC(F)(F)F)cc1 769814999 OQULCMXVXLXEMT-XLLLHDSKSA-N 246.207 2.977 30 20 BFED C[C@@H](C=NNCC(F)(F)F)c1ccccc1 769816435 ZYKJHAJFXDVKDV-VIFPVBQESA-N 230.233 2.928 30 20 BFED C[C@H]1CC(=NNCC(F)(F)F)C[C@H](C)C1 769823938 CLCLMASKCVTWAA-HTQZYQBOSA-N 222.254 2.950 30 20 BFED C(=NNc1ccccc1)c1cccc2nccn12 771098606 OADUSSMAFORVBH-UHFFFAOYSA-N 236.278 2.780 30 20 BFED CSCC(=NNC[C@H](C)C#N)c1ccccc1 771103529 NGKQEQQJZJSVMZ-LLVKDONJSA-N 247.367 2.503 30 20 BFED C#C[C@H](C)N(C)C/C=C\c1ccc(F)cc1F 775183977 QGSPUVDHERWBPB-GZTOBOFZSA-N 235.277 2.932 30 20 BFED C#CCCCOC(=O)[C@@H](F)Cc1ccccc1 778202300 RKAGQXUWJXRGTR-ZDUSSCGKSA-N 234.270 2.524 30 20 BFED Cc1cccc(C)c1C=NNCCOC(C)C 778554433 QRADZPWAISHVDL-UHFFFAOYSA-N 234.343 2.652 30 20 BFED COc1cccc(NN=C2CCCCC2)n1 779817675 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20 BFED CSCCON=Cc1scnc1C1CC1 794574358 DEDCISAIPOLTRB-UHFFFAOYSA-N 242.369 2.734 30 20 BFED C(=NNc1ncccn1)c1ccc2occc2c1 794891900 XELZEBKSXMYGFP-UHFFFAOYSA-N 238.250 2.669 30 20 BFED C=CCCCOC(=O)C[C@H]1CCC(=O)[C@H]1C 796234475 NPUBQHWGMOPHMN-WDEREUQCSA-N 224.300 2.501 30 20 BFED C[C@H](C#N)CNN=C1CCC(C(F)F)CC1 799483807 UYWOKQOSOCTSQR-VEDVMXKPSA-N 229.274 2.547 30 20 BFED C=C(C)CCOC(=O)c1ccc(F)cc1O 803403357 IEFSAHLLJNNZBN-UHFFFAOYSA-N 224.231 2.654 30 20 BFED CC[C@](C)(C#N)C(=O)OCCCOC(C)(C)C 803787365 WCRYYLILCFCEBG-CYBMUJFWSA-N 241.331 2.675 30 20 BFED Cc1nc2c(C(=O)O[C@@H](C)CC#N)cccc2o1 805881461 AVSKFCFYQZFJQE-QMMMGPOBSA-N 244.250 2.595 30 20 BFED CC(C)=CCC[C@H](C)CC=NNc1nc[nH]n1 807996167 MNHBYBMXLRBVLN-NSHDSACASA-N 235.335 2.975 30 20 BFED C=CCCCCOC(=O)COC1CCCC1 811010577 UOKBNGDIQIVBKG-UHFFFAOYSA-N 226.316 2.845 30 20 BFED C#CCON=C1CC(c2cccc(F)c2)C1 812236733 WRJXPNKTKCGHNF-UHFFFAOYSA-N 217.243 2.709 30 20 BFED CC(=NOCC1CC1)c1scnc1C 814243919 TWWPJLRLTCRUDC-UHFFFAOYSA-N 210.302 2.602 30 20 BFED COc1cc(C(C)=NOCCC2CC2)ccc1O 814245058 IYAKAVAIOWXKEE-UHFFFAOYSA-N 249.310 2.942 30 20 BFED Fc1ccc(F)c(C=NOCC2CC2)c1 814245311 WWYNPLMJNNWNGB-UHFFFAOYSA-N 211.211 2.725 30 20 BFED C#Cc1cccc(NC(=O)NOCCC2CC2)c1 814535076 FCHYDJHGFLXARE-UHFFFAOYSA-N 244.294 2.521 30 20 BFED CC[C@@H](C=NNC(=S)N(C)C)c1ccccc1 814843936 WEJPLEUPMIONNO-NSHDSACASA-N 249.383 2.602 30 20 BFED N#Cc1ccc(CNN=C2CC[C@@H]2C2CC2)cc1 814882567 LGBNOUFLQLEEBW-CQSZACIVSA-N 239.322 2.824 30 20 BFED CCC(CC)CNN=C1CCS[C@@H]1C 814906231 LHPXDIXUGJFRAR-SECBINFHSA-N 214.378 2.894 30 20 BFED CC(=NN[C@@H]1CCC[C@H]1O)[C@@H](C)c1ccccc1 817334060 BGPHWCTZPCPDBF-KCPJHIHWSA-N 246.354 2.669 30 20 BFED CC(CCCC(C)C)=NN[C@@H]1CCC[C@H]1O 817336805 HBRUCQRWZQZZNB-CHWSQXEVSA-N 226.364 2.692 30 20 BFED C[C@@H]1CCCN1CCNC1CCC(C)(C#N)CC1 824099635 VMSGNRGJKYHCAO-WLYUNCDWSA-N 249.402 2.533 30 20 BFED C#Cc1cccc(N(C)C[C@H]2C[C@H]3CC[C@H]2O3)c1 827674721 KKEZJRAMVPKNBN-FVQBIDKESA-N 241.334 2.672 30 20 BFED CCCCCCCCCN1C[C@H]2C[C@H]1C(=O)O2 830688192 KYBNTOCJSOMQNM-OLZOCXBDSA-N 239.359 2.737 30 20 BFED C=CCCC(=O)N1CCC(CSC)CC1 834369899 VEPFVPREYUBGHA-UHFFFAOYSA-N 227.373 2.554 30 20 BFED C[C@@H]1O[C@H](C)CC1=NOC1CCCCC1 834971887 ILFIICMBIPQKRX-ZJUUUORDSA-N 211.305 2.889 30 20 BFED CC[C@H](C)NN=Cc1c(C)cccc1OC 834974157 YWUORAOFDSSNQA-NSHDSACASA-N 220.316 2.726 30 20 BFED CC[C@H](C)CON=C1C[C@@H](C)n2ccnc21 834981421 OQPMVUWKMRNCNT-VHSXEESVSA-N 221.304 2.615 30 20 BFED C=CC(C)(C)C(=O)OCc1cccnc1C 835446433 XCMGTFTWHAHXAG-UHFFFAOYSA-N 219.284 2.645 30 20 BFED C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCC[C@H]1C 837308056 FAPPOUIMHITXOA-AGIUHOORSA-N 235.371 2.977 30 20 BFED O=C(C#CC1CC1)OCc1cc2ccccc2o1 838367926 WFZLUVOSQFMEEJ-UHFFFAOYSA-N 240.258 2.889 30 20 BFED CCC(C)(C)OCC(=O)O[C@H](C#N)C(C)(C)C 838852739 CWCSHDANBCFNBS-SNVBAGLBSA-N 241.331 2.673 30 20 BFED C#CCC[C@@H](C)OC(=O)Cc1ccccc1OC 839032991 XGSBLDJLVJVNAW-GFCCVEGCSA-N 246.306 2.583 30 20 BFED C/C=C(\CC)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839049827 BLNRCOPZPIHJFM-GGVMJJRJSA-N 221.300 2.968 30 20 BFED Fc1cc(NN=C2CCC[C@@H]3C[C@H]23)ccn1 841634783 YCHFNLMBIIJZDL-SCZZXKLOSA-N 219.263 2.809 30 20 BFED CC1=C(C)C[C@H](C(=O)O[C@H](C#N)C2CC2)CC1 842727967 YEAVMZKEKOXCJI-CHWSQXEVSA-N 233.311 2.968 30 20 BFED C#CC1CCN(Cc2ccsc2C)CC1 843426883 MSROELMTPFDQOX-UHFFFAOYSA-N 219.353 2.902 30 20 BFED Cc1ccc(C=NNC[C@H](C)C#N)c(Cl)c1 844590376 UUFLNDRZACJZEJ-SNVBAGLBSA-N 235.718 2.732 30 20 BFED C#CCCCSCc1cc2n(n1)CCCC2 844647877 SICCUQXFALSCFM-UHFFFAOYSA-N 234.368 2.866 30 20 BFED C#CCCCC(=O)N[C@@H]1CCCC[C@H]1SC 844721123 XCIQNVSWZDUBJI-VXGBXAGGSA-N 239.384 2.580 30 20 BFED C=C(C)CONC(=O)CCc1cc(C)cc(C)c1 846536593 RLZADPYSHDCYOT-UHFFFAOYSA-N 247.338 2.860 30 20 BFED CSC(C)(C)C(=O)OCc1ccc(C#N)cc1 849985137 CZUQXGINOQRMRO-UHFFFAOYSA-N 249.335 2.743 30 20 BFED C=CCCN[C@@H](C)c1cccnc1Cl 850501476 DFACLRGKEGRVDF-VIFPVBQESA-N 210.708 2.962 30 20 BFED C#C[C@](C)(CC)NCc1cn2c(C)cccc2n1 852099372 KTEBVQUXZUVSKU-OAHLLOKOSA-N 241.338 2.534 30 20 BFED C=C(Cl)CNC(=O)NCCCC1CCC1 852124104 ZDRAPTHXSQOCFB-UHFFFAOYSA-N 230.739 2.618 30 20 BFED C[C@H]1CCCCN1N=Cc1cccc2c1OCO2 853379820 KOYUBDNCRFXNSH-NSHDSACASA-N 246.310 2.624 30 20 BFED COC(=O)C1CCC(=NOCC2CCC2)CC1 853441558 WKVHXQCFOPZFNB-UHFFFAOYSA-N 239.315 2.522 30 20 BFED C#CCOCCOc1cc(C)nc2ccccc12 853694383 ZFYXHMQIBRYUTD-UHFFFAOYSA-N 241.290 2.572 30 20 BFED C#C[C@@](C)(CC)NC(=O)c1cccc(C(C)C)n1 854698852 IFWFGMGKEMVLTE-HNNXBMFYSA-N 244.338 2.737 30 20 BFED C=CCN(C(=O)/C(C)=C(\C)CC)[C@H](C)COC 855371476 BXWRFETWZOCHBT-RVROTUBLSA-N 239.359 2.782 30 20 BFED C#CCCOC(=O)NCC(C)(C)C1=CCCC1 859184445 BTCNODZFUFJCSK-UHFFFAOYSA-N 235.327 2.872 30 20 BFED C#CCCOC(=O)N(C)CCC(C)(C)C 859202893 GUOBQUWCBLQECJ-UHFFFAOYSA-N 211.305 2.514 30 20 BFED CCC(C#N)(CC)C(=O)OCc1ncccc1C 860197691 FDRFSXJENNRMME-UHFFFAOYSA-N 246.310 2.763 30 20 BFED CC(CCCC(C)C)=NNCC(C)(C)O 863137586 DKFOKDKHNWOCOP-UHFFFAOYSA-N 214.353 2.549 30 20 BFED C#CCOC(=O)CC(C)(C)c1ccc(F)cc1 869860404 CNNHZSFPOBJLTD-UHFFFAOYSA-N 234.270 2.670 30 20 BFED C[C@@H](CCC#N)CNCc1ccc(N(C)C)cc1 876906413 YYNRCMHNAVTIPM-ZDUSSCGKSA-N 245.370 2.782 30 20 BFED C=CCCN(C)Cc1c(C)cccc1O 877464194 HWZPEUMQHNIEMH-UHFFFAOYSA-N 205.301 2.709 30 20 BFED C=C[C@H]1CCCCN1C(=O)Nc1conc1C 888732474 XIFHXPBYENCYSQ-JTQLQIEISA-N 235.287 2.555 30 20 BFED Cc1cc(C#N)nc(N[C@H](C)C2CCC2)c1 892983588 MBGBPGMHBBNODR-SNVBAGLBSA-N 215.300 2.862 30 20 BFED C=C1CCN(C(=O)NCC(C2CC2)C2CC2)CC1 893312909 AIGVYGHOUQHTCV-UHFFFAOYSA-N 248.370 2.784 30 20 BFED C=CC1(OC(=O)[C@@H](Cc2ccccc2)OC)CC1 893358008 AEPWTHLISQNDAN-CYBMUJFWSA-N 246.306 2.506 30 20 BFED CC1(C)CCN(CC/N=C\c2ccccc2O)C1 899232505 PCOMGKAKRAOJSE-WJDWOHSUSA-N 246.354 2.543 30 20 BFED CC1(C)OCCC1=NNc1ccc(F)c(F)c1 901317616 LABYNUOUQGRXDZ-UHFFFAOYSA-N 240.253 2.932 30 20 BFED C=CCCN[C@@H]1CCC[C@@H](CCCC(=O)O)C1 902239338 RTBJGIRSTYOAEQ-QWHCGFSZSA-N 239.359 2.966 30 20 BFED C=CCCCNCc1ccccc1NC 902532686 MERYAVGNBFUQKZ-UHFFFAOYSA-N 204.317 2.784 30 20 BFED CC1CC(CON=Cc2ccc([N+](=O)[O-])o2)C1 902689747 PZMSWJGYEFMBDB-UHFFFAOYSA-N 238.243 2.584 30 20 BFED CC[C@H](NC[C@](C)(O)CC)c1cccc(C#N)c1 902796021 KZYVIAAUOCZBIK-LSDHHAIUSA-N 246.354 2.760 30 20 BFED CC1(C)CC[C@H]1NC(=O)c1ccsc1C#N 908193442 UZTVTBCLYWTWMY-SNVBAGLBSA-N 234.324 2.538 30 20 BFED C#C[C@@](C)(CC)NC(=O)C1CCC(=C)CC1 908529201 KHWCOVBTSSYJJW-AWEZNQCLSA-N 219.328 2.651 30 20 BFED C=CCOc1cccc(NC(=O)/C=C\C)c1 919926696 AAYWHVOFDGJEIG-UTCJRWHESA-N 217.268 2.766 30 20 BFED CCC/C=C\C(=O)NCc1ccc(C#N)cc1 920449449 UJLWXGQCFMYCHK-PLNGDYQASA-N 228.295 2.531 30 20 BFED C[C@@H](Cc1ccncc1)N[C@H](C)CC(C)(C)C#N 925224139 GYYWRKBQFSCQFA-QWHCGFSZSA-N 245.370 2.931 30 20 BFED C=CCCC(=O)N[C@@H](c1ccccn1)C1CC1 928612854 HEKXUADBBLMHHN-CQSZACIVSA-N 230.311 2.615 30 20 BFED Cc1ccccc1C1(NC(=O)C#CC(C)C)CC1 1118774434 YKTZDKVWCOODDI-UHFFFAOYSA-N 241.334 2.760 30 20 BFED C#Cc1ccc(N[C@@H]2CC[C@H](SC)C2)nc1 1120818769 XXDLRJUSAWVBMT-NEPJUHHUSA-N 232.352 2.759 30 20 BFED CCCCCCCNCCNC(=O)CC(C)C 1122802886 XIHFGKBASPZJDE-UHFFFAOYSA-N 242.407 2.709 30 20 BFED C=C[C@H](COC)NC(=O)[C@H](C)CC1CCCC1 1255026269 SBKNPNSTVCAHHP-DGCLKSJQSA-N 239.359 2.520 30 20 BFED C=C[C@@H](COC)NCc1cccc2ccoc12 1261258418 ABPDJCOBDDLHPF-ZDUSSCGKSA-N 231.295 2.723 30 20 BFED CCC(CC)CC(=O)OCC#Cc1ccccn1 1263505206 QXLJKIONRKVLPC-UHFFFAOYSA-N 245.322 2.803 30 20 BFED C=CCNC(=S)N1CC[C@@H]2CCCC[C@@H]2C1 1317667270 HMJZAFYHCNBUKQ-NWDGAFQWSA-N 238.400 2.559 30 20 BFED Cc1cc(C)c2c(c1)C(=NOC(C)(C)C)C(=O)N2 1319684566 HIQUADHJEQTBLW-UHFFFAOYSA-N 246.310 2.775 30 20 BFED CC(C)[C@H](C#N)C=NOCc1ccccc1 1322872472 QXVGRHQGBRMDQW-CYBMUJFWSA-N 216.284 2.985 30 20 BFED COc1ccncc1CSCCCC#N 1325309499 NTLWSMULDDHTOX-UHFFFAOYSA-N 222.313 2.627 30 20 BFED C#Cc1ccc(NC(=O)N[C@H]2C=CCCC2)cc1 1334698213 AXKOTHFNRZPGQK-ZDUSSCGKSA-N 240.306 2.898 30 20 BFED C=C(C)CCC(=O)Nc1c(C)noc1CC 1335839183 TVDIWCYGIVRVRR-UHFFFAOYSA-N 222.288 2.840 30 20 BFED C=C[C@@](C)(CC)C(=O)Nc1nc(C)ccc1OC 1338385380 ZZRDRWJPBHMLBD-AWEZNQCLSA-N 248.326 2.939 30 20 BFED C=CCn1c(C)nnc1N1CCC[C@H]1CCC 1339400654 KTMYKNCSTDSBEA-GFCCVEGCSA-N 234.347 2.541 30 20 BFED C=C[C@H](CC)CC(=O)OCC[C@H](C)OC 1347323176 HIDHNQJVJNYYJA-WDEREUQCSA-N 214.305 2.557 30 20 BFED C=C(C)CON=Cc1cc(C)cc(OC)c1O 1353066940 ALIOEONVMMEBHF-UHFFFAOYSA-N 235.283 2.636 30 20 BFED N#Cc1ccc(C(=O)OC2(C3CC3)CC2)c(F)c1 1517005187 ITZZNEJZGJTBLZ-UHFFFAOYSA-N 245.253 2.797 30 20 BFED C=C1CCC(C(=O)OCC2CSC2)CC1 1519537872 CSORZDXNUDOJOT-UHFFFAOYSA-N 226.341 2.639 30 20 BFED C=CC[C@@H](NCC(C)(C)C1=CCCC1)C(=O)O 1588746923 WXYRWTLEOUIUGR-GFCCVEGCSA-N 237.343 2.742 30 20 BFED CN(Cc1ccncc1)Cc1ccc(C#N)cc1 36776161 AKLRUCNKKZKBIN-UHFFFAOYSA-N 237.306 2.585 30 20 BFED C[C@H](C1CC1)N(C)CCOc1cccc(C#N)c1 36785325 CWJXQSOZYYULJT-GFCCVEGCSA-N 244.338 2.667 30 20 BFED C=C(C)CSc1nnc(C)n1CCC 41360981 DKIXPWKZNRBBJX-UHFFFAOYSA-N 211.334 2.665 30 20 BFED C#CCNc1ccc(C)cc1Br 41579857 ZWZQHSXSBVCRDT-UHFFFAOYSA-N 224.101 2.803 30 20 BFED CCCN(CC#N)C(=O)c1cccc(Cl)c1 44372900 QBFIHBXAQKVDPH-UHFFFAOYSA-N 236.702 2.716 30 20 BFED CCC(C#N)(CC)C(=O)N1CCCC[C@H]1C 44764526 HHVJZQDFEADIAO-LLVKDONJSA-N 222.332 2.717 30 20 BFED N#Cc1ccsc1C(=O)NC[C@H]1CC=CCC1 52033138 ZPTNKRRPUYAHTB-JTQLQIEISA-N 246.335 2.706 30 20 BFED N#Cc1ccc(NC2CCOCC2)c(Cl)c1 62790923 YQZSNZJIJJIYNL-UHFFFAOYSA-N 236.702 2.803 30 20 BFED Cc1cccc(C(=O)N(C)[C@@H](C)CC#N)c1C 63094184 NTWKZEMJKHFSPG-NSHDSACASA-N 230.311 2.678 30 20 BFED C=CCCOc1ccc(NC(=O)OC)cc1 77238958 KIIJPNMPPMASJC-UHFFFAOYSA-N 221.256 2.820 30 20 BFED CCCCCSc1nc(N)c(C#N)cc1C#N 77896746 PTXPKDFFAKYZOH-UHFFFAOYSA-N 246.339 2.689 30 20 BFED C=CCNC(=O)c1nc(-c2ccccc2)cs1 82274392 CSXVQXXJXUVEFY-UHFFFAOYSA-N 244.319 2.726 30 20 BFED COC(=O)[C@]1(C)O[C@]12CCCC(C)(C)CC2 85657792 RCBSMLRWAGUZNG-STQMWFEESA-N 226.316 2.677 30 20 BFED CN(CCOCC1CC1)c1ccc(C#N)cc1F 88558550 ILTSRLTWHKQLLU-UHFFFAOYSA-N 248.301 2.560 30 20 BFED CCOCCC1(CNc2cnccc2C#N)CC1 91671249 FHVAOICUGIAMRC-UHFFFAOYSA-N 245.326 2.572 30 20 BFED C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1CCC#N 111278693 SQWRXNQXDKEBRR-VNHYZAJKSA-N 244.338 2.751 30 20 BFED C=C(Br)CNc1nc(C(C)C)no1 119868964 JDBCFZOGYLALNP-UHFFFAOYSA-N 246.108 2.514 30 20 BFED CC(C)[C@@H](CCO)N[C@H](C)c1ccc(C#N)cc1 125659522 PGRGWJTYDKASCY-IUODEOHRSA-N 246.354 2.616 30 20 BFED Cc1ccoc1C(=O)N(C)c1ccccc1C#N 127465540 JKOACZQXPOMATB-UHFFFAOYSA-N 240.262 2.736 30 20 BFED C=CCCCCCN(C)c1nccc(C)n1 131735469 HDBRLVBMXXRGNS-UHFFFAOYSA-N 219.332 2.968 30 20 BFED CC[C@](C)(C#N)C(=O)N(C)Cc1cccc(C)c1 136201155 TYYCYUXYJPJQQE-OAHLLOKOSA-N 244.338 2.893 30 20 BFED CCCN(CC1CC1)C(=O)[C@@](C)(C#N)CC 136204516 AYNUTINJPNBEMR-CYBMUJFWSA-N 222.332 2.575 30 20 BFED C=CCN(C)C(=O)[C@H](C)OC1CCCCCC1 161794512 DFCBVXLFANVSIK-LBPRGKRZSA-N 239.359 2.759 30 20 BFED C=C[C@H](C)N[C@@H](C)Cc1ccccc1F 162567088 VKEAJPSHNDOUDQ-QWRGUYRKSA-N 207.292 2.921 30 20 BFED C#C[C@@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] 166918129 ULVCUMBRDWAYPB-SSDOTTSWSA-N 224.647 2.682 30 20 BFED CCN(C(=O)Nc1ccc(F)c(C#N)c1)C1CC1 171085264 CDRDWQUHCKGMDD-UHFFFAOYSA-N 247.273 2.714 30 20 BFED 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C=CCCOC(=O)c1ccc(C(C)=O)c(C)c1 923382857 SKEQWNONNNSIPN-UHFFFAOYSA-N 232.279 2.931 30 20 BFED N#Cc1sccc1C(=O)OCCC1CCC1 923568306 XMJZRRREOWLKTG-UHFFFAOYSA-N 235.308 2.967 30 20 BFED C=C[C@H](CC)CC(=O)N1CCC[C@@H](C)C1 929139667 UUFAKCGCQFCDBZ-VXGBXAGGSA-N 209.333 2.847 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1ncc(C)s1 930249223 FGHCXZWRCBHFQI-VIFPVBQESA-N 224.329 2.992 30 20 BFED CC#CCNC(=O)Nc1ccc(C(F)F)cc1 933103179 COZHIYFLTPTUOH-UHFFFAOYSA-N 238.237 2.769 30 20 BFED C=CCCCN[C@H](CC(=O)OC)C(C)(C)C 934031257 JVMZCXAXYOBBBU-LLVKDONJSA-N 227.348 2.520 30 20 BFED C=C[C@H](CC)CC(=O)N(CC)CC(F)F 935369047 VMZAQWASSQVEDN-SECBINFHSA-N 219.275 2.702 30 20 BFED CC#CCN(C)C(=O)c1ccc(CC)c(CC)c1 1117761571 AFGRFVJGOXIOPP-UHFFFAOYSA-N 243.350 2.907 30 20 BFED C=C[C@@H](C(=O)N1CC2CC1(C)C2)c1ccccc1 1123836890 FGPLKSXZFDMWGI-CXOJTPOUSA-N 241.334 2.967 30 20 BFED C=CCNC(=S)N1CC[C@H]2CCCC[C@H]2C1 1200289173 HMJZAFYHCNBUKQ-NEPJUHHUSA-N 238.400 2.559 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)c1ccc(C#N)o1 1262655397 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2.760 30 20 BFED C#CCOc1ccccc1CNc1cccnc1 20086068 TUSIHWPKIQYJKF-UHFFFAOYSA-N 238.290 2.706 30 20 BFED C[C@H](C#N)CN(C)C(=O)c1cccc(Cl)c1 42460433 UQSHUNCTOMIBGI-SECBINFHSA-N 236.702 2.572 30 20 BFED Cc1ccccc1/C(N)=N/OCc1ccccc1 47823523 WWBPKJURGBFAGO-UHFFFAOYSA-N 240.306 2.832 30 20 BFED Cc1ccc(C[C@@H]2CCCN(CC#N)C2)cc1 51063896 QODHYESKRMSORE-HNNXBMFYSA-N 228.339 2.773 30 20 BFED N#CCCN1CCC[C@H]1c1ccc(F)cc1 55472033 UEVAMVNLQFXBHA-ZDUSSCGKSA-N 218.275 2.876 30 20 BFED CCCC/C(N)=N/OCc1csc(CC)n1 63460042 HEFXMSXVMBYHJX-UHFFFAOYSA-N 241.360 2.685 30 20 BFED N#CCC1(CNc2cccc(F)c2)CC1 83853608 PHJWRIJUKHTMIN-UHFFFAOYSA-N 204.248 2.931 30 20 BFED N#Cc1nc(Oc2cccnc2F)ccc1Cl 84927863 XCWPVMBEYABMKA-UHFFFAOYSA-N 249.632 2.933 30 20 BFED C=C(CC)CNCc1cccc(OC)c1 85057580 KGEYJNVFFIEGCA-UHFFFAOYSA-N 205.301 2.751 30 20 BFED C=C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 90734468 JGXQGAWNRWEFMP-UHFFFAOYSA-N 218.256 2.751 30 20 BFED CC#CCN[C@@H](C)c1cc(C)cc(C)c1 90919459 PHFMKRCWBIVOTE-ZDUSSCGKSA-N 201.313 2.977 30 20 BFED Cc1ccc(O)c(CN(CC#N)C2CCCC2)c1 93563370 IGGLIROKOUFUKC-UHFFFAOYSA-N 244.338 2.969 30 20 BFED CC#CCSc1nc2ccccc2[nH]1 97599284 UNSYDBXKZLVBAJ-UHFFFAOYSA-N 202.282 2.678 30 20 BFED C=CCCOC(=O)c1cc(C)ccc1F 103646090 ACKYCIUDZDIFGO-UHFFFAOYSA-N 208.232 2.867 30 20 BFED N#CCN[C@@H](c1ccccc1)C1CCC1 104699081 FZEBGPUPADTXOX-ZDUSSCGKSA-N 200.285 2.641 30 20 BFED N#CCCNC(=O)CC12CC3CC(CC(C3)C1)C2 105730582 KQRGUMFCKWVYEQ-UHFFFAOYSA-N 246.354 2.623 30 20 BFED Cc1occc1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 116814206 CXXLFLMPXRGPKM-YGRLFVJLSA-N 246.310 2.790 30 20 BFED C=C[C@@H](C)N[C@H](C)c1cnn(C(C)C)c1 122988466 MQIYJDURMQWGGT-GHMZBOCLSA-N 207.321 2.689 30 20 BFED C=C(Br)CNCC(C)(C)CCC#N 126774589 PWIYFNMZGXJKGZ-UHFFFAOYSA-N 245.164 2.815 30 20 BFED CCC[C@@H](C)C(=O)N(C)c1ccccc1C#N 127469445 IUQIWJMKXMEKBS-LLVKDONJSA-N 230.311 2.957 30 20 BFED Cc1ccc(C#N)c(N[C@H]2CC[C@H](C)C2)n1 129203328 AEIFDFNALBGTCY-CABZTGNLSA-N 215.300 2.862 30 20 BFED C#CCN(C)C(=O)c1ccc(Cl)cc1Cl 130686445 GWJXVWSWSWGLEO-UHFFFAOYSA-N 242.105 2.699 30 20 BFED C[C@@H]1CCC[C@@H](Nc2ccc(C#N)nc2)C1 131889903 ADCZQONMTZLINC-GHMZBOCLSA-N 215.300 2.944 30 20 BFED CC[C@H](C)Oc1ccc(NC(=O)CC#N)cc1 133078263 UAABZCPYGWHPCS-JTQLQIEISA-N 232.283 2.716 30 20 BFED CCC[C@@H](C#N)NC(=O)c1cc(C)cc(F)c1 134787712 HBIDPSJSIAQUKU-LBPRGKRZSA-N 234.274 2.556 30 20 BFED CCCC1(CNC(=O)C(C)(C)C#N)CCC1 157541555 XNTTYIYZQXCBCD-UHFFFAOYSA-N 222.332 2.623 30 20 BFED CC1(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC1 159296296 OAYKQNKUNCBNPM-NSHDSACASA-N 248.713 2.821 30 20 BFED C=CCOc1cccc(CNC(C)(C)CCO)c1 174577481 JJHXEUBUHZONKO-UHFFFAOYSA-N 249.354 2.502 30 20 BFED C=CCC(CC=C)C(=O)N1CCSC[C@H]1C 177166533 JTASPMYOCSAQEP-LLVKDONJSA-N 239.384 2.719 30 20 BFED C=C(C)CN(C)CCCOc1ccc(OC)cc1 181295783 KIHNCUPMQCGLQB-UHFFFAOYSA-N 249.354 2.972 30 20 BFED N#CC1CCN(CCCc2cccc(F)c2)CC1 182715932 CNSDGWXEUTZOMM-UHFFFAOYSA-N 246.329 2.994 30 20 BFED CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NCCCC#N 184087340 CEGCTNCEDSHUTQ-UPJWGTAASA-N 238.375 2.719 30 20 BFED C#CCCCN[C@@H](C)c1cc(C)ccc1O 185581108 NWJJCLXCPVHMQO-LBPRGKRZSA-N 217.312 2.765 30 20 BFED N#C[C@@H]1CCC[C@@H](NCCOC2CCCC2)C1 185800635 XZSXOJMVDIPTNI-CHWSQXEVSA-N 236.359 2.618 30 20 BFED C=CCc1ccccc1OCCOCC 192781492 RYVFKFGPDWHSIN-UHFFFAOYSA-N 206.285 2.830 30 20 BFED C#CCCCN[C@H]1CCCc2occc21 192910193 HCAXTGBWLNYDHH-LBPRGKRZSA-N 203.285 2.660 30 20 BFED C=CCCCCCN1CCCC[C@@H]1[C@@H](C)O 193340463 NITBUDXBMMZOAR-ZIAGYGMSSA-N 225.376 2.968 30 20 BFED N#CCCCOC(=O)CCC1CCCC1 194206479 MFBPSQOQSQWZIT-UHFFFAOYSA-N 209.289 2.804 30 20 BFED C=CCCOc1ccc(C#N)c(OC)c1 194490320 ZLSSZXUZMMTLIT-UHFFFAOYSA-N 203.241 2.522 30 20 BFED N#Cc1ccc(NC[C@@H]2CCSC2)cc1 224287532 KDRJYPIGUGHUOZ-NSHDSACASA-N 218.325 2.723 30 20 BFED CC(C)CCc1noc(-c2cc(C#N)c[nH]2)n1 225299497 XVJRUYZVGSPFQT-UHFFFAOYSA-N 230.271 2.525 30 20 BFED C#C[C@H](CC)NC1CC(C#N)(c2ccccc2)C1 229896547 PJYXHKTWQSGHNU-QQFBHYJXSA-N 238.334 2.612 30 20 BFED CCN(Cc1ccc(C#N)c(OC)c1)CC1CC1 233459912 XYPSBZGWADRNMV-UHFFFAOYSA-N 244.338 2.799 30 20 BFED CC#CC(=O)Nc1ccccc1C(C)(C)C 238023416 SOCLNAINDSOQRC-UHFFFAOYSA-N 215.296 2.946 30 20 BFED C#CCCCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 248658855 GJMXXUHXYIGYCD-FRRDWIJNSA-N 221.344 2.731 30 20 BFED N#CCC1CCN(CC2CCCC2)CC1 260318928 ZXNNXYNCHNPANR-UHFFFAOYSA-N 206.333 2.802 30 20 BFED N#Cc1nc(-c2cccc(F)c2)ccc1F 261508829 XLGBPBRXQMAOBX-UHFFFAOYSA-N 216.190 2.898 30 20 BFED C=CCNC(=O)N[C@@H](c1ccccc1C)C1CC1 264868106 QTLJKHSBFLNVEX-CQSZACIVSA-N 244.338 2.931 30 20 BFED CN(CCC#N)C(=O)C(C)(C)Cc1ccccc1 265586162 QSTUIZAIJJEWDE-UHFFFAOYSA-N 244.338 2.627 30 20 BFED N#Cc1ccc(NCC2(CCO)CCCC2)cc1 266753501 TYQCSKAZKMUCAR-UHFFFAOYSA-N 244.338 2.913 30 20 BFED C[C@H](N(C)c1ncccc1C#N)C1(C)CC1 267822398 XYPZXWQCYFUZDF-JTQLQIEISA-N 215.300 2.578 30 20 BFED C=CCCCCNC(=O)Nc1ccncc1 274590187 NEKUPXFGHMJKPI-UHFFFAOYSA-N 219.288 2.559 30 20 BFED C=C(C)CCN1CCc2ccccc2[C@H]1CO 274818469 XPIIETOSYGDSTL-OAHLLOKOSA-N 231.339 2.544 30 20 BFED C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](C)C#N 274993410 FBJDYCAMCLKNPE-RYUDHWBXSA-N 227.311 2.711 30 20 BFED C=CCCN(C)C(=O)c1ccnc(Cl)c1F 276282828 RZMUVSXJBHMNGM-UHFFFAOYSA-N 242.681 2.522 30 20 BFED C#C[C@@H](C)NC(=O)Nc1ccc(C)cc1Cl 276572523 RZDFMSOOOZYMGV-SECBINFHSA-N 236.702 2.792 30 20 BFED C#CCN(C)C(=O)Nc1ccccc1OC(C)C 278524247 CZHYDZZCUNNYES-UHFFFAOYSA-N 246.310 2.571 30 20 BFED Cc1oc(C#N)cc1C(=O)N[C@@H]1CCCC1(C)C 280689063 RHXBGLFHZCSYDL-GFCCVEGCSA-N 246.310 2.768 30 20 BFED CC#CC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 283178296 LCKYPFWCDUOBRQ-FZMZJTMJSA-N 245.297 2.759 30 20 BFED C=CCNC(=O)[C@@H](C)SCCCCCF 285339685 VBZGWOSUQXMBAQ-SNVBAGLBSA-N 233.352 2.550 30 20 BFED N#Cc1ccc(NC[C@@H]2CCCSC2)cn1 288535185 OPBZYUGFZDNHAW-JTQLQIEISA-N 233.340 2.508 30 20 BFED Cc1cccc(-c2noc(CC(C)(C)C#N)n2)n1 288815776 AGNRTYZLZARKRZ-UHFFFAOYSA-N 242.282 2.532 30 20 BFED C=C[C@H](CO)N[C@@H](C)c1ccc(OC(C)C)cc1 289864180 REAGOSIUWZKKMM-GXTWGEPZSA-N 249.354 2.671 30 20 BFED CC1(C)CCC[C@@H]1CNc1nccnc1C#N 294123673 PSNOSMKITUAPLE-SNVBAGLBSA-N 230.315 2.586 30 20 BFED C#CCO[C@H](C)C(=O)Nc1ccccc1C(C)C 294370135 JBZSBFFVHOIYKL-GFCCVEGCSA-N 245.322 2.787 30 20 BFED C=CCC(C)(C)C(=O)NCCC(C)(F)F 295383470 MOCWZFCBYNLGSG-UHFFFAOYSA-N 219.275 2.750 30 20 BFED CON(Cc1ccccc1)[C@H](C)CCC#N 299181877 ZGFIHIKRBRCULP-GFCCVEGCSA-N 218.300 2.742 30 20 BFED Cc1cc(C(=O)NC2(C#N)CCC2)sc1C 299546837 YAXNYEKWXJSENS-UHFFFAOYSA-N 234.324 2.541 30 20 BFED CN(CC1CCC1)c1ccc(C#N)cc1[N+](=O)[O-] 301292428 XDAUGOCQIKZIER-UHFFFAOYSA-N 245.282 2.703 30 20 BFED CCCCN/C(N)=N/C[C@H](CC)CCCC 303701736 IIKVOQNUIRZMJA-GFCCVEGCSA-N 227.396 2.907 30 20 BFED C#CCN(CC)Cc1cc(Cl)cs1 308432391 UKIULAZEVPFQJX-UHFFFAOYSA-N 213.733 2.857 30 20 BFED C[C@H](CCc1ccsc1)NCCC#N 308651491 KTAUUGNMIPAKOB-SNVBAGLBSA-N 208.330 2.572 30 20 BFED CC(=NOC1CCCC1)c1ccc(N)cc1 309269132 KMTNCCDTGRADOF-UHFFFAOYSA-N 218.300 2.952 30 20 BFED C=CCC[C@@H](N[C@H]1CCOC1)c1ccco1 309417583 ZBJRTSBJCYQDDJ-NWDGAFQWSA-N 221.300 2.665 30 20 BFED C=CCC[C@@H](CCC)NC[C@@H](O)C(F)(F)F 310029355 QPVDRDBUVYWSFC-NXEZZACHSA-N 239.281 2.634 30 20 BFED C=CCCCCCCNc1cc(C#N)ncn1 310240334 SRLCGNUISRNCRY-UHFFFAOYSA-N 230.315 2.897 30 20 BFED CCC[C@H]1CCC[C@@H]1C(=O)NC1(C#N)CCC1 331837831 ZAOWRZNVMOLVLY-RYUDHWBXSA-N 234.343 2.765 30 20 BFED N#CCCCNC(=O)N1CC[C@H](C2CCCC2)C1 332444674 XRJPAGNXJOROKD-ZDUSSCGKSA-N 249.358 2.512 30 20 BFED CC(C)[C@@H]1C[C@H]1NC(=O)[C@]1(C#N)CC12CCCC2 333797763 ZEWNLYAAZBRYNG-YWPYICTPSA-N 246.354 2.621 30 20 BFED Cc1cccc(OCC2(C#N)CC2)c1F 334242456 QLUDFDOFRYGNSH-UHFFFAOYSA-N 205.232 2.817 30 20 BFED CC1(C(=O)N2CCc3c(C#N)cccc32)CCC1 335482151 ZSLCCXNDJJCSJL-UHFFFAOYSA-N 240.306 2.638 30 20 BFED C=C[C@H]1CCCCN1Cc1cnoc1C 335877890 IAVDVPYKLGRJLN-LBPRGKRZSA-N 206.289 2.524 30 20 BFED C[C@H](CN[C@H]1CC[C@H](C#N)C1)c1nccs1 336748626 SVIRXLWXGQFJQQ-VWYCJHECSA-N 235.356 2.528 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@H](C)OCCCC 337094575 PBGXWLXZZZVDKB-NWDGAFQWSA-N 227.348 2.663 30 20 BFED CSc1ccccc1[C@H](C)NC(=O)[C@H](C)C#N 337564261 VFLOONJBRVYZJW-ZJUUUORDSA-N 248.351 2.745 30 20 BFED C=CCn1c([C@@H](C)CC)nnc1N(C)CC(=C)C 337858812 MMWJOXQDOKVWBQ-LBPRGKRZSA-N 248.374 2.990 30 20 BFED C=C(C)[C@@H](CC(=O)N(C)[C@@H](C)CC)OCC 339192998 NFSONGOWHZITKO-NWDGAFQWSA-N 227.348 2.615 30 20 BFED C=CCC(C)(C)CN[C@@H]1CN(C2CC2)C[C@H]1C 340429689 MDZCVHYMLIVXKI-TZMCWYRMSA-N 236.403 2.661 30 20 BFED C=CCCN(C)C(=O)c1cccc(C(C)C)n1 342481827 ALPMXMYALZDNFB-UHFFFAOYSA-N 232.327 2.853 30 20 BFED N#CCNC1(c2cccc(C(F)(F)F)c2)CC1 343045275 BTPFCBGQTKLABY-UHFFFAOYSA-N 240.228 2.808 30 20 BFED Cc1cccnc1[C@H]1CCC[C@@H](NCCC#N)C1 343595529 BOZPYJBRSMQOPE-UONOGXRCSA-N 243.354 2.920 30 20 BFED CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](C)C#N 345595143 XXWAVKZOJHDGIM-GRYCIOLGSA-N 222.332 2.573 30 20 BFED C=CCN(CC=C)C(=O)c1ccc(F)c(C#N)c1 345647023 RSQOFDDQYBGVJI-UHFFFAOYSA-N 244.269 2.512 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1c1nc(CC(C)C)no1 345653715 AILJBHYXJQLBHH-JQWIXIFHSA-N 236.315 2.717 30 20 BFED N#CC1(F)CCN(Cc2ccccc2F)CC1 352489602 BWTVSEPOOIQQEC-UHFFFAOYSA-N 236.265 2.653 30 20 BFED COc1ccc(C#N)cc1NCc1ccccn1 354856623 UPIKFQPJASKJDR-UHFFFAOYSA-N 239.278 2.574 30 20 BFED C=CCCC(=O)NC1(c2ccc(F)cc2)CC1 354982056 YWHHFDSONDTDRD-UHFFFAOYSA-N 233.286 2.897 30 20 BFED CC[C@H](C#N)NC(=O)C[C@H]1CCC[C@@H](C)C1 355675833 FQPJUBQSSBMCDM-GRYCIOLGSA-N 222.332 2.621 30 20 BFED CCN(CCC#N)C(=O)C1C[C@H](C)C[C@@H](C)C1 356808320 YGWWUTVXWZDXEM-VXGBXAGGSA-N 236.359 2.821 30 20 BFED C=CCCO[C@@H](C)C(=O)N(CC(C)C)C1CC1 356933543 HHTXBAKUBYDFHX-LBPRGKRZSA-N 239.359 2.615 30 20 BFED CCCN(CC(C)C)C(=O)CCCC#N 360002168 AAOJEWSUFQBYDP-UHFFFAOYSA-N 210.321 2.575 30 20 BFED C=CCOc1cccc(CN[C@H](C)C[C@H](C)O)c1 361027903 DMQDJGAUIIRMNL-OLZOCXBDSA-N 249.354 2.500 30 20 BFED C=C(C)CN(CC)CCCO[C@@H]1CCCCO1 361268776 XDBWEJUDLRHJOZ-CQSZACIVSA-N 241.375 2.818 30 20 BFED C=CCNC(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 361436568 YFEQYOAUDWDORN-XQQFMLRXSA-N 239.359 2.663 30 20 BFED C#CCCN1CCC[C@H]1[C@H](C#N)c1ccccc1 371205426 RTHBJONQDXYFLH-CVEARBPZSA-N 238.334 2.781 30 20 BFED C=CCCN[C@@H]1CN(Cc2ccccc2)C[C@H]1C 389864317 JWZVFJIOVZLLKJ-GDBMZVCRSA-N 244.382 2.673 30 20 BFED Cc1cc2ncn(CCO[C@H](C)C#N)c2cc1C 394147906 IJRYUWLLPMLIKB-GFCCVEGCSA-N 243.310 2.582 30 20 BFED CCCCCCC[C@@H](C)NCc1cnnn1C 395007543 UHURIKPEFLUWIO-GFCCVEGCSA-N 238.379 2.654 30 20 BFED N#CCCCC(=O)N1CC[C@H](C2CCCC2)C1 421648015 YOWJVQJWILSHNB-ZDUSSCGKSA-N 234.343 2.719 30 20 BFED C=C(C)C(C)(C)C(=O)NC[C@@H]1CC1(C)C 424660879 VCFMETJAXLNXNW-JTQLQIEISA-N 209.333 2.751 30 20 BFED C=C(C)C(C)(C)C(=O)N(CC)CC1CC1 424670765 WKZIHESBUONBNT-UHFFFAOYSA-N 209.333 2.847 30 20 BFED C[C@@H]1CCC[C@@]1(C)C(=O)N[C@@H]1CC[C@H](C#N)C1 424969164 ZPVOWZWBMOBYQK-GFQSEFKGSA-N 234.343 2.621 30 20 BFED C[C@@H]1CCCN(c2ncc3c(c2C#N)CCC3)C1 425197414 BWUAQNYFQJUDKP-LLVKDONJSA-N 241.338 2.678 30 20 BFED CC[C@H](F)COc1cc(C#N)cc(OC)c1 440600744 JIZSDDIOJMVZBA-JTQLQIEISA-N 223.247 2.694 30 20 BFED Cc1cccc(CCN[C@@H]2CC[C@@H](C#N)C2)c1 442774847 BBDVYLSYEKEHLA-HUUCEWRRSA-N 228.339 2.819 30 20 BFED CC#CCCNC(=O)Nc1ccc2ccoc2c1 443359455 JQKVBAOKJQNFJU-UHFFFAOYSA-N 242.278 2.968 30 20 BFED C=CCC[C@H](C)N[C@H](C(=O)OC(C)C)C(C)C 453322174 RWGUUEMAXWVNFM-STQMWFEESA-N 241.375 2.907 30 20 BFED C=C[C@H](C)NC(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 454663928 IJTWXNBJNRXVBT-SDDRHHMPSA-N 236.359 2.781 30 20 BFED C=C(C)CNC(=O)N(C)Cc1ccc(CC)cc1 488547805 SZVXTWOFTBKCAW-UHFFFAOYSA-N 246.354 2.967 30 20 BFED C=CCn1cccc1C(=O)N1CC[C@H](C(C)C)C1 489035939 HSAFRVMGKYICAE-ZDUSSCGKSA-N 246.354 2.792 30 20 BFED C#CCCCCCC(=O)N[C@H](C#C)C(C)(C)C 491351210 SLYBPOCTENVGCC-CYBMUJFWSA-N 233.355 2.734 30 20 BFED C#C[C@H](C)N(C)C(=O)C[C@H](C)c1cccc(F)c1 491486985 ZQOWLOXJBHUBTQ-RYUDHWBXSA-N 247.313 2.799 30 20 BFED CCO[C@@H]1C[C@@H]1N[C@H](C)c1ccc(C#N)cc1F 515506698 AULXBMKAEVXRLN-BIGNPOOSSA-N 248.301 2.525 30 20 BFED CC[C@H]1CCC[C@@H]1N[C@@H]1CC[C@H](C#N)C1 519765401 VTPNKGZWMURWRR-RVMXOQNASA-N 206.333 2.847 30 20 BFED C[C@H]1CCN(C(=O)[C@H](C)C#N)[C@H]2CCCC[C@@H]12 524391519 NSEFTCKVJZGJKU-RNJOBUHISA-N 234.343 2.573 30 20 BFED Cc1cn(Cc2cccc(F)c2)cc1C#N 532767150 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CCC[C@@H](O)CNc1ccc(C#N)cc1Cl 218001766 GZJHWWZPXMZGQQ-SNVBAGLBSA-N 238.718 2.785 30 20 BFED CC(C)(CCC#N)CNC[C@@H]1CCSC1 228556688 LEXPBTOZCLQFSS-NSHDSACASA-N 226.389 2.659 30 20 BFED C#CCCCCNc1ncc(C)cc1[N+](=O)[O-] 229739245 CJKWKQIHCZQCGP-UHFFFAOYSA-N 233.271 2.514 30 20 BFED C#C[C@@H](CC)NCc1cc(C)ccc1OC 229894007 VWUOIIBOPMPLPS-ZDUSSCGKSA-N 217.312 2.505 30 20 BFED CC1(C)C[C@H]1CNc1cccc(C#N)c1[N+](=O)[O-] 232934699 BHQUJFZWOBLDBK-JTQLQIEISA-N 245.282 2.924 30 20 BFED C#C[C@H](CCC)NC(=O)[C@@H](C)c1ccccc1 233356744 LSKNPEGZWXHCSI-GXTWGEPZSA-N 229.323 2.708 30 20 BFED Cc1csc(C(=O)N[C@@H](C)CC#N)c1Cl 235073596 FIYYECXQWUNNPK-ZETCQYMHSA-N 242.731 2.742 30 20 BFED CC#CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 245691386 LTTCVOQCBXYILC-HZSPNIEDSA-N 233.355 2.732 30 20 BFED C=C(C)CS[C@H](CC)C(=O)OCC 267393174 NVLBKOHACCCOKK-SECBINFHSA-N 202.319 2.637 30 20 BFED C=CCN1CCC[C@H]1Cn1cnc2ccccc21 270440818 JSSFKHLGULUDIT-ZDUSSCGKSA-N 241.338 2.687 30 20 BFED C=CCCCCNC(=O)[C@H](C)Oc1ccccc1 274430840 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247.342 2.735 30 20 BFED C=CC[C@@H](CC)NCc1ncc(C)s1 296685527 HDRGXJAXJOQDBW-SNVBAGLBSA-N 210.346 2.896 30 20 BFED C=CCN(CC=C)C(=O)NCC(C)(C)CC=C 297316524 LMTSSUCNEMPSTM-UHFFFAOYSA-N 236.359 2.972 30 20 BFED CC1CC(C#N)(C(=O)N2C[C@H]3CCC[C@@H](C3)C2)C1 302368366 OHQJTRNKFSSLDJ-FMPXUHTOSA-N 246.354 2.575 30 20 BFED CCc1nc(C#N)cc(N[C@@H]2CCCC[C@@H]2C)n1 308173825 YWZGAPXKWCTTIG-CMPLNLGQSA-N 244.342 2.901 30 20 BFED C=CCOCCNCc1ccc(SC)s1 309081793 QRWDFNBOVSGNRN-UHFFFAOYSA-N 243.397 2.762 30 20 BFED C=C[C@H](COC)N[C@H](C)c1cccc(C)c1 309442088 IUCINFXPKROUQW-TZMCWYRMSA-N 219.328 2.847 30 20 BFED C=C[C@H](CO)N[C@H](C)CCC1CCCCC1 309733828 FVOPXORPXQKDCG-TZMCWYRMSA-N 225.376 2.872 30 20 BFED Cc1nnc(N=C(O)C2[C@H]3CCC[C@H]23)n1C1CC1 329156647 VXJLEGRPUFASCV-UWVGGRQHSA-N 246.314 2.556 30 20 BFED CC1(C)CN(C(=O)CCCC#N)[C@@H]2CCC[C@H]21 334265951 NBRRAOVTDHTIBV-VXGBXAGGSA-N 234.343 2.717 30 20 BFED C=C[C@](C)(CC)C(=O)N1CC2(CCCC2)C1 334403084 ZXEBMIACBWVGLE-CYBMUJFWSA-N 221.344 2.991 30 20 BFED C=C1CCN(Cc2cccc(C)n2)CC1 334588905 IUAKSJHNTSMXSX-UHFFFAOYSA-N 202.301 2.542 30 20 BFED CC1(C)C[C@@H]1C(=O)N1CCC(CCC#N)CC1 335501982 UPEMSNCWPJVUCT-GFCCVEGCSA-N 234.343 2.575 30 20 BFED CC1(C#N)CCC(N[C@H]2CC[C@@H](F)C2)CC1 335579926 LYSBAAABLWGCHE-IGJPJIBNSA-N 224.323 2.939 30 20 BFED CN(Cc1cccc(C#N)c1)[C@@H]1CC[C@@H](C#N)C1 335737023 TXLANTDHUOGDCM-UKRRQHHQSA-N 239.322 2.682 30 20 BFED Cc1cc2sc(NC(=O)CC#N)nc2cc1F 335760411 HVPKIHWGLCSRFD-UHFFFAOYSA-N 249.270 2.596 30 20 BFED N#Cc1ccsc1NC(=O)Cc1ccsc1 335930831 BACYERYWDMYETG-UHFFFAOYSA-N 248.332 2.862 30 20 BFED C=CCCNc1cc(F)cc(F)c1OC 336728496 IEPBLKCFAWIBKT-UHFFFAOYSA-N 213.227 2.961 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CC[C@H]1CC 336743030 SRHMWFAGLFILFV-MQYQWHSLSA-N 223.360 2.746 30 20 BFED C=C[C@H](C)Nc1ncc(Cl)c(C)c1C#N 336766019 RTRDLOYBOBPCMZ-ZETCQYMHSA-N 221.691 2.902 30 20 BFED C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccncc1F 338012987 PSKHGAQBZDSMOA-TUAOUCFPSA-N 247.317 2.954 30 20 BFED C=CCNC(=O)c1ccc(-c2ccco2)nc1C 338340557 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2.654 30 20 BFED CC[C@@H]1C[C@@H](C)CN1c1ncccc1C#N 335739788 PKAHWVRIAWVMIJ-ZYHUDNBSSA-N 215.300 2.578 30 20 BFED C=CCCC(=O)N1CC[C@H](C)C2(CCC2)C1 335765024 LNGRMGAPQIIRKQ-LBPRGKRZSA-N 221.344 2.991 30 20 BFED CC1CCC(CC(=O)N2CCC(C#N)CC2)CC1 335856424 VXLQMCHXBHIRDL-UHFFFAOYSA-N 248.370 2.965 30 20 BFED N#C[C@H]1CC[C@H](Nc2cccc3c2CCO3)C1 336171602 LIVOQSZIPOIEGA-QWRGUYRKSA-N 228.295 2.726 30 20 BFED Cc1cscc1C(=O)N(C)C1(C#N)CCC1 336237446 MMHSCPRMGGGOHK-UHFFFAOYSA-N 234.324 2.575 30 20 BFED CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCC(C)(C)C1 336624868 CVSSWFGKBQVVLX-NSHDSACASA-N 245.326 2.537 30 20 BFED C=CCNc1cc(C(N)=O)c(Cl)cc1Cl 336648931 BFWNXQBHDDXRAM-UHFFFAOYSA-N 245.109 2.690 30 20 BFED C=CCn1c(CCCC)nnc1N1CC[C@H](C)C1 337819577 QVOHJUJTEYJEQR-LBPRGKRZSA-N 248.374 2.653 30 20 BFED CCCc1nc(CN(C)C[C@@H](C)C#N)cs1 338266588 PDAPLICQPIJCRB-JTQLQIEISA-N 237.372 2.687 30 20 BFED C=C(C)Cn1c(C(C)C)nnc1N1CCCCC1 338804717 WWOFVCPSJLOZKN-UHFFFAOYSA-N 248.374 2.968 30 20 BFED 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CCC[C@H](C#N)NC(=O)[C@H]1CC12CCCCC2 531654961 GSQVTRXWOYZROB-VXGBXAGGSA-N 234.343 2.765 30 20 BFED C[C@@H](CC#N)NC(=O)Nc1cccc2cc[nH]c12 547851670 BHZVVUXLYNPVMT-VIFPVBQESA-N 242.282 2.592 30 20 BFED CC(C)Oc1cncc(NCC(C)(C)CC#N)n1 580294598 KXTWAXCICZDSTK-UHFFFAOYSA-N 248.330 2.616 30 20 BFED CC(C)(C)C(=O)CSCc1ccc(C#N)cn1 581168339 XKEHCZYKUMRHPX-UHFFFAOYSA-N 248.351 2.802 30 20 BFED C[C@H](c1ccccc1[N+](=O)[O-])N1CC(C)(C#N)C1 582464711 HKGNEDABCOSYIE-SNVBAGLBSA-N 245.282 2.501 30 20 BFED CC[C@H](CSC)NC(=O)CCCCCC#N 588667808 NWCRDNCTOIOBIF-LLVKDONJSA-N 242.388 2.718 30 20 BFED CCOc1ccc(CNCCCC#N)c(C)c1 594943753 PLIBVTSEVLGJEY-UHFFFAOYSA-N 232.327 2.787 30 20 BFED N#CCCCN1CC[C@H]1c1ccc(F)cc1 595705568 VKQQQYCUKHKFPT-ZDUSSCGKSA-N 218.275 2.876 30 20 BFED Cc1ccc2c(c1)CN(C(=O)CCCC#N)CC2 597965628 MBDYHJMUFJEUEH-UHFFFAOYSA-N 242.322 2.574 30 20 BFED Cc1cc(O)cc(NC(=O)CC(C)(C)C#N)c1 600765527 DKNRJHOPTMTAGA-UHFFFAOYSA-N 232.283 2.579 30 20 BFED C[C@H](CCC#N)CN[C@H]1CCC(F)(F)C1 602576058 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236.359 2.973 30 20 BFED C=CC[C@H](C)[C@H](C)NC[C@H](C(=O)O)C(C)C 656099438 RIRDVRYZABEEQQ-SRVKXCTJSA-N 227.348 2.534 30 20 BFED C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)C1(CO)CC1 658154053 GMVOPQXFYCCDCX-MJBXVCDLSA-N 237.387 2.872 30 20 BFED C=CCCCCCNC1(COC)CCOCC1 660635552 YXQOZLVLXNHRCS-UHFFFAOYSA-N 241.375 2.518 30 20 BFED C=C1C[C@@H]2CC[C@H](C1)N2[C@@H]1COC(C)(C)C1 662088208 ABGBACOZDANYDN-XQQFMLRXSA-N 221.344 2.737 30 20 BFED C=CC[C@@H](C)[C@H](C)NCc1ccnn1CC 663468647 WQOSISRQYLKZRA-NEPJUHHUSA-N 221.348 2.593 30 20 BFED C=C[C@H]1CCCCN1c1cc(C(C)=O)ccn1 663851758 HKFGIYIFALHRPY-ZDUSSCGKSA-N 230.311 2.829 30 20 BFED C=C[C@H](C)NC(=O)C[C@H]1CCc2ccccc21 674951931 FQZVIEKBKOSGEB-WCQYABFASA-N 229.323 2.797 30 20 BFED N#Cc1cccc(N[C@H]2C=CCC2)c1[N+](=O)[O-] 698279328 VKCDYRABOIIOOZ-JTQLQIEISA-N 229.239 2.597 30 20 BFED C#C[C@H](NC(=O)[C@@H]1CC2CCC1CC2)C(C)(C)C 702237308 YYLPPAGETBXHQB-PQAZSJQKSA-N 247.382 2.977 30 20 BFED CCCNN=C1CCCOc2ccccc21 728425756 MPEVSTAOFZJDBN-UHFFFAOYSA-N 218.300 2.563 30 20 BFED CCCNN=Cc1cc(Cl)ccc1[N+](=O)[O-] 739411553 LVBULOSKXUQKCL-UHFFFAOYSA-N 241.678 2.582 30 20 BFED CCN(C[C@H](C)C#N)C(=O)[C@H](C)c1ccc(C)o1 742549223 ZBQCDJSIYONIBC-ZYHUDNBSSA-N 248.326 2.700 30 20 BFED Fc1cc(NN=Cc2ncc[nH]2)ccc1Cl 747636163 FQAQDFLBHXSQNO-UHFFFAOYSA-N 238.653 2.648 30 20 BFED CCC(=NOCCOC)c1cc(F)ccc1F 748792280 WVPHADNQODUPDV-UHFFFAOYSA-N 243.253 2.742 30 20 BFED CC1(C)C[C@@H]1C(=O)OCc1ccc(F)c(C#N)c1 751800420 GZDKEQGFAYTTLZ-LLVKDONJSA-N 247.269 2.787 30 20 BFED CC[C@](C)(C#N)NC(=O)C(C)=C1CCCC1 753601171 FTRNVDSNZUNDJW-CYBMUJFWSA-N 220.316 2.685 30 20 BFED C#CC(=O)NCc1ccc(-c2cccc(C)c2)cc1 754034635 LVFMCWFAAMKWQT-UHFFFAOYSA-N 249.313 2.911 30 20 BFED C#CCNC(=O)c1ccc([C@H](C)CC)cc1 755061511 GWYPFARHHDYODO-LLVKDONJSA-N 215.296 2.563 30 20 BFED C=CCOC(=O)c1ccc(Cl)c(C)c1 759400319 VUUYQEIPNDHDIC-UHFFFAOYSA-N 210.660 2.991 30 20 BFED CC(C)(C)c1ccc(C(=O)OCC#N)s1 764106204 CGZQCEDOBOIRAG-UHFFFAOYSA-N 223.297 2.726 30 20 BFED CC(C)CNN=C1C[C@@H](OC(C)C)C1(C)C 764907401 KVANBSHNNDPURJ-GFCCVEGCSA-N 226.364 2.812 30 20 BFED C#CCCCN[C@@H](C)c1ccc2c(c1)COC2 766232941 JSCUVROXDQOZLW-LBPRGKRZSA-N 229.323 2.781 30 20 BFED CC(=NNC1CC1)c1ccc(O)c(Cl)c1 768782074 UFYQUKGENDVVMD-UHFFFAOYSA-N 224.691 2.522 30 20 BFED C#C[C@@H](C)N(C)Cc1cc(F)ccc1Cl 769962130 BLGRQTGGJKYXJC-SECBINFHSA-N 225.694 2.933 30 20 BFED Cc1cc(C)c(C=NNC[C@H](C)C#N)cc1C 771105032 XOFDTFVWCSCDIQ-SNVBAGLBSA-N 229.327 2.695 30 20 BFED C=C(CC)COC(=O)CC[C@@H]1CCCCO1 773519158 SFTNAFYWUSLEQY-LBPRGKRZSA-N 226.316 2.845 30 20 BFED C=CCCC(CC)=NOC[C@H]1CCOC1 788031183 UAPYOESAYGMILV-NSHDSACASA-N 211.305 2.772 30 20 BFED Cc1cccc(/C=C\C(=O)c2cc(C)nn2C)c1 789157356 ZGZIZJGUCUQVDY-FPLPWBNLSA-N 240.306 2.933 30 20 BFED CCCCCCCC[S@@](=O)[C@H]1CCOC1 792566202 BXPPQVLCWPZPEJ-SWLSCSKDSA-N 232.389 2.885 30 20 BFED CO[C@H](C)C(C)=NNc1cccc(Cl)n1 793161010 GZXLEMMSKKSFFY-MRVPVSSYSA-N 227.695 2.558 30 20 BFED C#CCCCSC[C@@H]1CCC[C@@H](O)C1 793949671 DYOOJAQAXHOBTQ-VXGBXAGGSA-N 212.358 2.684 30 20 BFED COCCN(C)N=C(C)c1csc(Cl)c1 794966050 IVHWRZWQXKQEMG-UHFFFAOYSA-N 246.763 2.704 30 20 BFED C(/C=C/c1ccccc1)=NNc1cncnc1 794976676 QCRZEHQOKKOICA-FOGPZANYSA-N 224.267 2.588 30 20 BFED CCc1ccnc(C/N=C/c2ccccc2O)c1 797784800 JBMIHUHJBHVRPH-MHWRWJLKSA-N 240.306 2.969 30 20 BFED CC#CC(=O)N1CCCC[C@@H]1CCC(C)C 801169381 WBMABPAIZLDYID-CYBMUJFWSA-N 221.344 2.827 30 20 BFED CC#CC(=O)Nc1cnn([C@H](C)CC)c1C1CC1 801181057 ZQFLOUKHDWLJRE-SNVBAGLBSA-N 245.326 2.693 30 20 BFED CC[C@](C)(NCCO[C@@H](C)C#N)c1ccccc1 801937581 QCAYQJAEEZCOEA-ZFWWWQNUSA-N 246.354 2.830 30 20 BFED C#CC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 804287976 VEPVMVRCIZRXRR-MRXNPFEDSA-N 241.334 2.590 30 20 BFED N#CCSCCCOC(=O)[C@@H]1CC=CCC1 805356305 CPOIKTWMHSTQPF-LLVKDONJSA-N 239.340 2.533 30 20 BFED C#CCN(C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 805791816 QTDIAEOCGMELNM-CABCVRRESA-N 243.350 2.798 30 20 BFED COc1ccc(C(C)=NOCC(C)C)cc1O 811645893 ZAXGEGVSFBTNTE-UHFFFAOYSA-N 237.299 2.797 30 20 BFED Cc1cccnc1NN=C1CC[C@@H](C)C1 814911424 HBZZEHDGTMGTKT-SECBINFHSA-N 203.289 2.978 30 20 BFED CC(=NNC[C@H](C)O)c1ccc2ccccc2c1 814959955 FIIWAHLUXPFGMQ-NSHDSACASA-N 242.322 2.534 30 20 BFED CC(CCC1CCCC1)=NNc1cnnn1C 814979764 QSWVVDBGIOSESD-UHFFFAOYSA-N 235.335 2.573 30 20 BFED C=CCCN(C)C(=O)C#Cc1ccc(CC)cc1 816386183 DFBUDOLROFRFQC-UHFFFAOYSA-N 241.334 2.635 30 20 BFED CC(C)C[C@@H](C)NC(=O)C#Cc1cccs1 827573656 MZKCBEWRQJVUOO-LLVKDONJSA-N 235.352 2.650 30 20 BFED C=C[C@@H](CC)CC(=O)N=[S@](C)(=O)C(C)C 829876623 QRGXREUUURSDJM-ZUZCIYMTSA-N 231.361 2.622 30 20 BFED C#CCCCCc1nc(-c2ccsn2)no1 834823546 ODBLCKIRHXDKCA-UHFFFAOYSA-N 233.296 2.539 30 20 BFED CC(C)CNN=C1CCCc2cc(N)ccc21 834968021 DIZXDIKLTXBTQA-UHFFFAOYSA-N 231.343 2.555 30 20 BFED CCOCCON=C1CCc2ccccc2CC1 834968490 DSPJAVRFWJIWSB-UHFFFAOYSA-N 247.338 2.975 30 20 BFED Cc1cccnc1NN=C1CCOC2(CCC2)C1 834975011 VDEIZPGZZHVSFH-UHFFFAOYSA-N 245.326 2.891 30 20 BFED C=C(C)CCNC(=O)N1CCC2(CCCC2)C1 836579036 CHMAUGQNOHGEJE-UHFFFAOYSA-N 236.359 2.928 30 20 BFED C#CCN(C(=O)NCC(=C)CC)C1CCCCC1 838719207 GNBNPBZLQZGHRC-UHFFFAOYSA-N 248.370 2.930 30 20 BFED CCCNN=C(C)[C@H]1C[C@H]2C=C[C@H]1CC2 842523915 CTTPPGXZOJASDH-RWMBFGLXSA-N 206.333 2.964 30 20 BFED CCN(CCO)N=C1CCC(C(C)C)CC1 842534584 APXYJUOPJQRZOG-UHFFFAOYSA-N 226.364 2.503 30 20 BFED C=C(C)c1cc2c(c([C@H](C)O)c1)OCC2 844234245 DFORAQPBTUDFGR-VIFPVBQESA-N 204.269 2.708 30 20 BFED CCC(CC)CNN=Cc1ccc(O)cc1F 844591280 FOQDOTWMISADNZ-UHFFFAOYSA-N 238.306 2.891 30 20 BFED C#CC[C@H](OC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1CC1 845485787 WMIVYOCCSINCEI-OSRDXIQISA-N 244.334 2.934 30 20 BFED C=C[C@@H](C)OC(=O)[C@H](C)Cc1ccc(C#N)cc1 847687974 YICVVVQWADEZFR-VXGBXAGGSA-N 243.306 2.855 30 20 BFED Cc1ccc(C(=O)OCC2(CC#N)CC2)cc1O 849668835 WHOZCVNVTHEYRO-UHFFFAOYSA-N 245.278 2.551 30 20 BFED C=CCCC(=O)O[C@@H](C)CC(C)(C)C#N 851209153 CDAIKLWAMSKSRO-JTQLQIEISA-N 209.289 2.824 30 20 BFED C#C[C@@](C)(CC)N[C@H](C)c1nc(CCCC)no1 852099294 JHJSLZAOFGFPNJ-RISCZKNCSA-N 249.358 2.865 30 20 BFED C[C@@H](C#N)N(Cc1ccc(F)cc1C#N)C1CC1 852480278 OQJUELKVKQAYEA-JTQLQIEISA-N 243.285 2.574 30 20 BFED CC(C)n1ccnc1C=NN[C@H]1CCCC1(C)C 853340692 FTUXJZRRCPVNTO-LBPRGKRZSA-N 248.374 2.966 30 20 BFED Cc1nc2ccccn2c1C=NOCC1CCC1 853439928 PUDZAJNKUSYDGR-UHFFFAOYSA-N 243.310 2.793 30 20 BFED C#C[C@@](C)(CC)NC(=O)/C(C)=C/C(C)(C)C 854701327 BHSYCKIIWKDLEO-VNDWYCCKSA-N 221.344 2.897 30 20 BFED CC[C@@H](C)CCNC(=O)c1cc(C#N)ccc1F 855389987 JFXMDIDBODLOOG-SNVBAGLBSA-N 248.301 2.863 30 20 BFED C=CCC(CC=C)C(=O)N[C@H]1C=CCC1 855426648 HAGHSAXHDHDRQW-LBPRGKRZSA-N 205.301 2.590 30 20 BFED CCCCCCCNc1cnc(F)cn1 858650697 ZERSECDGGHEFGR-UHFFFAOYSA-N 211.284 2.998 30 20 BFED C#CCCOC(=O)NC(C)(C)c1ccccc1F 859168812 VNHDDSIHDRRADJ-UHFFFAOYSA-N 249.285 2.810 30 20 BFED CC(C)c1nocc1C(=O)OCC(C)(C)C#N 860644417 AYYLSJLERQECES-UHFFFAOYSA-N 236.271 2.505 30 20 BFED C#CCN(CC#CC)Cc1ccc2[nH]ccc2c1 862246177 BLIZTTMAHYRXOL-UHFFFAOYSA-N 236.318 2.626 30 20 BFED CCNc1ccccc1C=NN[C@@H]1CCSC1 872373871 MPHBUTHBHXILTF-GFCCVEGCSA-N 249.383 2.547 30 20 BFED C=CC[C@H](C)[C@H](C)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2 873259491 FXTYAQKTBHYHTE-LXFSFDBISA-N 236.403 2.707 30 20 BFED C#CCCCCCCNCc1ccn(C)c1 877079634 HZBNEODXXSVUOC-UHFFFAOYSA-N 218.344 2.698 30 20 BFED C=CC(C)(C)CC(=O)N1CCC[C@H]1CSC 879200303 IXGUCMPOBRKTSF-NSHDSACASA-N 241.400 2.943 30 20 BFED Cc1ccc(N[C@@H]2CCCC[C@H]2F)c(C#N)n1 882460967 SNZJFIFXKPEDDP-GHMZBOCLSA-N 233.290 2.954 30 20 BFED CCCC(C)(C)NC(=O)Nc1ccc(C#N)cn1 889225009 DCIUFMGJUUKBTF-UHFFFAOYSA-N 246.314 2.653 30 20 BFED C=C1CCC(C(=O)NCC2(SC)CC2)CC1 890294040 OJIUCKIQQKEYLZ-UHFFFAOYSA-N 239.384 2.745 30 20 BFED C=CC(C)(C)CNC(=O)NC(C)(C)CSC 895161089 PGWFMKCJTQOFMP-UHFFFAOYSA-N 244.404 2.639 30 20 BFED C#CCN(CCCc1ccc(C)nc1)C(C)C 897170912 KVDNTJVIEDMLCV-UHFFFAOYSA-N 230.355 2.666 30 20 BFED C#CCCCNc1ccc2c(c1)C[C@@H](C)O2 901447729 PLQTUVAFUWDLDF-LLVKDONJSA-N 215.296 2.835 30 20 BFED Cc1cc(C(=O)/C=C/c2cncn2C(C)C)no1 901503740 VHRLZGLRZCPLPU-SNAWJCMRSA-N 245.282 2.657 30 20 BFED C#CCCCCCCN[C@H](C(=O)O)C(C)(C)C 901568661 BZDFPLPRLKJEHP-GFCCVEGCSA-N 239.359 2.659 30 20 BFED C=CCC[C@H](C)N[C@@H]1Cc2ccccc2[C@H]1N 902435822 VLQHVGWBZFOIOL-NILFDRSVSA-N 230.355 2.555 30 20 BFED CC[C@@H](CCO)N[C@H](CC)c1cccc(C#N)c1 902813399 AVRDRMBNENQEJR-LSDHHAIUSA-N 246.354 2.760 30 20 BFED C=C(C)CCN(C)[C@H](C(=O)O)c1ccccc1 905370565 VDEQSVCHDZGORR-ZDUSSCGKSA-N 233.311 2.710 30 20 BFED C=CCCN[C@@H](C(=O)O)c1ccc(C)c(C)c1 905378447 CVVURGUWBIMOCD-CYBMUJFWSA-N 233.311 2.595 30 20 BFED C=C[C@@H](CC)CC(=O)OCc1ccc(F)cn1 906075460 RPBGNRUCCZWAEZ-JTQLQIEISA-N 237.274 2.866 30 20 BFED C=CCC(C)(C)C(=O)N[C@@H](C)c1c(C)n[nH]c1C 910076247 PUVXVEBODIPFMS-VIFPVBQESA-N 249.358 2.806 30 20 BFED C=CCN(Cc1cccc(C(=O)OC)c1)C(C)C 917071562 WCQFAEXMSHLMAU-UHFFFAOYSA-N 247.338 2.870 30 20 BFED C=CCN(C(=S)NCc1ccccc1)C(C)C 917589224 LMVPWCOLQFTTOW-UHFFFAOYSA-N 248.395 2.958 30 20 BFED C=CCC[C@@H](CCC)NCCO[C@@H]1CCOC1 927085342 QJQRFOKGNVQMJP-ZIAGYGMSSA-N 241.375 2.516 30 20 BFED CCC(CC)[C@H](C)C(=O)N1CCC[C@H](C#N)C1 928218457 AEQBWIUMBOWPPA-NWDGAFQWSA-N 236.359 2.821 30 20 BFED C#CCN(C(=O)c1cccc(OCC)c1)C(C)C 928628031 XMHQFYNLEYQHQF-UHFFFAOYSA-N 245.322 2.569 30 20 BFED C=C[C@H](C)NC(=O)Nc1cc(C)nc(Cl)c1 934213457 DUFPGOARVYCGKG-ZETCQYMHSA-N 239.706 2.739 30 20 BFED CCON=Cc1ccccc1N1CCCC1 1115818929 PXPWLVPUJNRFEA-UHFFFAOYSA-N 218.300 2.657 30 20 BFED Oc1ccccc1/C=N/CCC1CCOCC1 1116067050 FPQAXTNZKXHDQC-RVDMUPIBSA-N 233.311 2.628 30 20 BFED N#C[C@@H]1CC[C@H](OC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)C1 1122734727 DCEXFVUJTPOMFD-HTOHHLTDSA-N 245.322 2.514 30 20 BFED C#CCCCCc1nnc(CC(F)(F)F)o1 1322561619 VXRIQTGQHSDILU-UHFFFAOYSA-N 232.205 2.520 30 20 BFED CCN(C(=O)/C=C/c1cccs1)[C@H](C)C#N 1330965134 AZPSTGQGXRWOJW-VQCYPWCPSA-N 234.324 2.522 30 20 BFED C#CCN(CC#N)Cc1ccc2nc(C)ccc2c1 1333874612 XEWVTFAHRQBLMB-UHFFFAOYSA-N 249.317 2.502 30 20 BFED CCN(C(=O)c1ccc(C#N)cc1F)C(C)C 1337025264 FLMPOEHBXUIPCZ-UHFFFAOYSA-N 234.274 2.568 30 20 BFED N#Cc1ccc(C(=O)N[C@@H]2CC=CCC2)c(F)c1 1338853348 VXIUSNTVVAAGGR-LLVKDONJSA-N 244.269 2.536 30 20 BFED C=C(CC)C(=O)Nc1cc(CC(C)(C)C)nn1C 1351179123 JQZOGZPOIJIDSI-UHFFFAOYSA-N 249.358 2.913 30 20 BFED Cc1cc(SCc2cnn(C)c2)ccc1C#N 1559429114 HGOGXJRBLDIVEI-UHFFFAOYSA-N 243.335 2.893 30 20 BFED C=CC(C)(C)CN[C@@H](C)c1cncc(C(=O)O)c1 1602807508 NQMTVSKWKYXYRJ-JTQLQIEISA-N 248.326 2.643 30 20 BFED C=CCCNc1ccc(C[C@H](C)C(=O)O)cc1 1602881005 GRSPTYOYEDGVSH-NSHDSACASA-N 233.311 2.938 30 20 BFED C=C[C@@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)O 1609267137 LFMIBRVUUAXBGH-KGLIPLIRSA-N 245.322 2.757 30 20 BFED CC[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H]1C 1683336807 LUACNOMMWNJDAU-YVECIDJPSA-N 249.358 2.509 30 20 BFED C=C(C)CN1C[C@H](C(=O)O)C2(CCCCC2)C1 1776139820 JOICIARFVWWRNL-GFCCVEGCSA-N 237.343 2.529 30 20 BFED C#CCN[C@H](C)c1ccc(SC)cc1 19875711 PSEYBZUFHINCTR-SNVBAGLBSA-N 205.326 2.692 30 20 BFED Cc1nnc(N[C@H]2CCCC[C@@H]2C)c(C#N)c1C 24052951 CPNCAEBXHCWKIE-ZANVPECISA-N 244.342 2.956 30 20 BFED 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233.340 2.649 30 20 BFED C[C@@H]1CCC[C@H]1Nc1cccc(C#N)n1 80119260 ITKDZPZFCQRGEC-MWLCHTKSSA-N 201.273 2.554 30 20 BFED Cc1ccsc1CNc1cccc(C#N)n1 82730625 WPAHVYFRFHKWPA-UHFFFAOYSA-N 229.308 2.935 30 20 BFED C=C(CC)CNCc1cccc(COC)c1 85057640 YJPNRVYBRCFRIR-UHFFFAOYSA-N 219.328 2.889 30 20 BFED C=C[C@@H](C)NC(=O)c1c(C)cc(C)cc1C 90654156 ICZCUUJUVXATCS-GFCCVEGCSA-N 217.312 2.916 30 20 BFED COCCN(CCC#N)CC1CCC(C)CC1 93100274 PGFCCJACBIXNAZ-UHFFFAOYSA-N 238.375 2.675 30 20 BFED C[C@H](NCc1cc(C#N)cs1)c1cccnc1 93492152 SXWSIZWWLRCVNK-JTQLQIEISA-N 243.335 2.866 30 20 BFED C=CCCOC(=O)[C@@H]1CCOc2ccccc21 103646204 ZHSOAVXBLIBQFB-GFCCVEGCSA-N 232.279 2.672 30 20 BFED C#C[C@H](C)NCc1ccc(F)cc1C(F)(F)F 123153502 PPZNVEFOBLKAOV-QMMMGPOBSA-N 245.219 2.956 30 20 BFED CC[C@@H](C#N)NC(=O)c1sccc1C(C)C 123931613 JRBTZQUQYBHVQP-VIFPVBQESA-N 236.340 2.903 30 20 BFED N#Cc1cccnc1Sc1ccc(CO)cc1 126902970 TXKPZMDVNFOAOV-UHFFFAOYSA-N 242.303 2.597 30 20 BFED CC[C@@H](C)C(=O)N(C)c1ccccc1C#N 127480404 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CC(C)OCCN[C@H](C)c1cccc(C#N)c1 163950948 JSDMGBHEIHEICT-GFCCVEGCSA-N 232.327 2.634 30 20 BFED C#CCSCCN[C@@H](C)C1CCCCC1 165358582 PCMOCGQRFPIJOL-LBPRGKRZSA-N 225.401 2.911 30 20 BFED CC#CCCNC(=O)c1ccc(C(C)C)cc1 166241759 JHKZORCVBIRMPL-UHFFFAOYSA-N 229.323 2.953 30 20 BFED CC[C@@H](CC1CCCC1)C(=O)NC[C@@H](C)C#N 172174618 VMDHOYLCQXAQGI-AAEUAGOBSA-N 236.359 2.869 30 20 BFED CN1CCCN(CCCC#N)c2ccccc21 172545880 ICNZKJVOVDUWHB-UHFFFAOYSA-N 229.327 2.637 30 20 BFED C#CCCCNC(=O)N1C[C@H](C)c2ccccc21 173328040 MXGKLZOEMWNOHH-LBPRGKRZSA-N 242.322 2.733 30 20 BFED C=CCCO[C@H](C)C(=O)N[C@H](C)C[C@@H](C)CC 174098018 JWULKLDDOVPHTK-YNEHKIRRSA-N 241.375 2.909 30 20 BFED CC#CCOC(=O)CCC(=O)c1ccc(C)cc1 174189954 WTZVVOYWPPBMGT-UHFFFAOYSA-N 244.290 2.524 30 20 BFED C=CCCCC(=O)Nc1cccc(C)c1O 174955739 LXVKFJWHQGOFAG-UHFFFAOYSA-N 219.284 2.995 30 20 BFED CCCc1ccc(NC(=O)NC[C@H](C)C#N)cc1 176292307 CXOGNELPWCGIBM-LLVKDONJSA-N 245.326 2.920 30 20 BFED C=CCC[C@@H](O)CN(CC)CCc1ccccc1 178065839 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BFED CCN(C[C@H](C)C#N)C(=O)C[C@H]1CCC[C@H]1C 249043957 VOSMMISFGRZMRL-JHJVBQTASA-N 236.359 2.821 30 20 BFED CCN(CCCCO)[C@@H](C)c1ccc(C#N)cc1 264064461 YCQZWVNVUHHVMD-ZDUSSCGKSA-N 246.354 2.714 30 20 BFED C=C(C)CN(CC)C(=O)c1ccccc1C(C)=O 266147815 NCDCEFQDEQOKNG-UHFFFAOYSA-N 245.322 2.927 30 20 BFED COc1ccc(C#N)cc1NCC1CCC1 269987170 QTMMNLRIYKSDBG-UHFFFAOYSA-N 216.284 2.779 30 20 BFED C#CC[C@@H](NC(=O)CC1CC1)c1ccccc1 270544464 XWNFFIVFPBJTFE-CQSZACIVSA-N 227.307 2.667 30 20 BFED C=CCN(Cc1cccc(COC)c1)C1CC1 271543894 ZHQKSELPHUJHOJ-UHFFFAOYSA-N 231.339 2.983 30 20 BFED C=CCC[C@H](O)CN[C@@H](C)c1ccc(C)cc1 271603401 AHEITRNGZDXHMQ-ZFWWWQNUSA-N 233.355 2.973 30 20 BFED C[C@@H]1COc2ccccc2CN1CCCCC#N 272951594 MMKWWNFRIMXNOI-CYBMUJFWSA-N 244.338 2.963 30 20 BFED C[C@@H](NCCCC#N)c1cccnc1Cl 273186227 FXMPCXQWCCFMGV-SECBINFHSA-N 223.707 2.689 30 20 BFED C#CCCCCc1nc(-c2ccc(F)cn2)no1 274018343 OKXQENDLLJOUFH-UHFFFAOYSA-N 245.257 2.617 30 20 BFED CC#CCCN1CC[C@H](c2ccccc2OC)C1 274083728 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20 BFED CCc1ccc(C(C)(C)NCCC#N)cc1 298844819 IGDVHIBYUZWRIL-UHFFFAOYSA-N 216.328 2.987 30 20 BFED CCCC[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1C#N 304221479 VMBXBDLJPXCLLG-QJPTWQEYSA-N 222.332 2.621 30 20 BFED N#Cc1ccnc(NC[C@@H]2CC2(Cl)Cl)c1 308884279 RTRJMULGFYSLOA-QMMMGPOBSA-N 242.109 2.559 30 20 BFED C#CCSCCNCC(C(C)C)C(C)C 308946267 UVMXHBQIWGLXTH-UHFFFAOYSA-N 227.417 2.871 30 20 BFED Cc1ccoc1CNCc1ccc(C#N)s1 309461019 QUMPMRNKOGLSST-UHFFFAOYSA-N 232.308 2.811 30 20 BFED N#Cc1cccnc1N[C@@H](C1CCC1)C1CC1 324733520 KIFHRTGTBNEPNZ-ZDUSSCGKSA-N 227.311 2.944 30 20 BFED CC1(C)C[C@@H]1/N=C(/O)c1cc(O)nc(C2CC2)c1 329957218 LTAQUEKCWYJXKH-NSHDSACASA-N 246.310 2.768 30 20 BFED C=C(C)CN(C)C(=O)c1nc2ccccc2s1 334244046 ZDEKKHMNIYIMOA-UHFFFAOYSA-N 246.335 2.944 30 20 BFED N#Cc1ccc(CN[C@H]2CCC[C@H](F)C2)s1 335373717 VLIKMXFVWHOJML-UWVGGRQHSA-N 238.331 2.990 30 20 BFED CC(C)C[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 335692287 RFDBFDWDMSPUBG-LBPRGKRZSA-N 245.326 2.537 30 20 BFED C[C@H]1CC2(CCC2)CN1c1ncccc1C#N 336137737 JBFPRANLNLQTGM-NSHDSACASA-N 227.311 2.722 30 20 BFED Cc1cnn(C)c1CNc1cccc(C#N)c1C 336328861 VQSOBEUWFCTQMS-UHFFFAOYSA-N 240.310 2.521 30 20 BFED CN(C(=O)[C@H]1C[C@H]1C1CC1)c1ccccc1C#N 336560114 BPLIZDWWWLLWAV-STQMWFEESA-N 240.306 2.567 30 20 BFED C=C[C@H]1CCCCN1c1ncnc2[nH]ccc12 336584348 VNCORLPRCGGCEG-JTQLQIEISA-N 228.299 2.503 30 20 BFED N#Cc1ccc(N[C@H]2CCC[C@@H]2F)c(F)c1 338844243 QBZWMADKWIDJHO-ONGXEEELSA-N 222.238 3.000 30 20 BFED CC(C)(C#N)Cc1nc(CC2CCCC2)no1 340893271 SUSMOKSIKFAIDJ-UHFFFAOYSA-N 233.315 2.895 30 20 BFED CCC[C@H](C)C(=O)NCCc1cccc(C#N)c1 341746983 BITVEPYYAMEIPQ-LBPRGKRZSA-N 244.338 2.653 30 20 BFED CC[C@@H](F)CNC1(c2cccc(C#N)c2)CC1 341953434 PVOLEEVCKBMJCV-CYBMUJFWSA-N 232.302 2.885 30 20 BFED CCN(CC#N)[C@@H](C)c1cc(F)ccc1F 343015761 PULDSAPCJWNCDF-VIFPVBQESA-N 224.254 2.871 30 20 BFED Cc1csc(CSCC2(C#N)CC2)n1 344460087 LFAFOAJMRMNFLN-UHFFFAOYSA-N 224.354 2.989 30 20 BFED C[C@@H]1C[C@@H]1CC(=O)N1CCCC(C)(C)[C@@H]1C#N 356180672 YNUABHKYSHYYOM-UTUOFQBUSA-N 234.343 2.573 30 20 BFED CCN(CCC1CC1)c1ccc(C#N)nc1 357464539 FORYKIVWXCZRSW-UHFFFAOYSA-N 215.300 2.580 30 20 BFED CO[C@H](C)CSc1ccc(C#N)cc1 359745163 IEIBLZZBDBJCEE-SECBINFHSA-N 207.298 2.685 30 20 BFED C=CCOc1cccc(NC(=O)N[C@@H](C)C=C)c1 362626269 BOLNFFQATACQOQ-NSHDSACASA-N 246.310 2.947 30 20 BFED N#CCC(=O)N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 376912234 WDVQMSPUBMLUCH-FQUUOJAGSA-N 246.354 2.717 30 20 BFED CC(=NOC(C)(C)C)c1csc(C(=O)O)c1 382224273 NXJMSXBFOPWFKC-UHFFFAOYSA-N 241.312 2.985 30 20 BFED C#C[C@H](Nc1nc(C)c(C#N)cc1Cl)C(C)C 383563926 AOJSDPRDINZXSB-LBPRGKRZSA-N 247.729 2.985 30 20 BFED C=CCCNc1cc(C#N)ccc1NCC 390416239 HJQGUFGURNKJPH-UHFFFAOYSA-N 215.300 2.978 30 20 BFED C=CC[C@@H](CC)NC(=O)c1cc(C)ccc1O 393818947 PPJSAZVIXDNRFE-LLVKDONJSA-N 233.311 2.785 30 20 BFED C=CCCC[C@H](C)NC(=O)C1(C#N)CC(C)C1 398285717 UEPSRRZMKUUOMO-LXVYMNJGSA-N 234.343 2.787 30 20 BFED N#CCOc1ccc(NC(=O)CCC2CC2)cc1 400793223 MRNZNFDEEQVRHG-UHFFFAOYSA-N 244.294 2.718 30 20 BFED Cc1cccc(NCC(C)(C)CC#N)n1 413416489 XPRJQNKXGKTJAK-UHFFFAOYSA-N 203.289 2.742 30 20 BFED Cc1ccc([N+](=O)[O-])c(NCC(C)(C)CC#N)n1 413416549 XVUAEJOEKQYFSA-UHFFFAOYSA-N 248.286 2.650 30 20 BFED C[C@@H](NCC(C)(C)CC#N)c1ccco1 414172995 WMJPDIVELKCTSV-SNVBAGLBSA-N 206.289 2.870 30 20 BFED C=CCCS[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O 419433555 ZLGVVNCILFVDRN-SDDRHHMPSA-N 239.384 2.743 30 20 BFED C=CCN(CCC#N)C(=O)c1cc[nH]c1CCC 421902746 DCFNBADYIWAKNA-UHFFFAOYSA-N 245.326 2.509 30 20 BFED CC[C@H](CC(C)C)C(=O)N[C@@H]1CC[C@H](C#N)C1 424965564 JQLSXVPQUPCUCR-YNEHKIRRSA-N 236.359 2.867 30 20 BFED CCN(C[C@H](C)C#N)C(=O)[C@]1(C)CC=CCC1 448723824 JGPXCHOCAJJGDN-TZMCWYRMSA-N 234.343 2.741 30 20 BFED C=CC(C)(C)CNCc1cnc(N(C)C)s1 449487302 XSBCORWIUCXETN-UHFFFAOYSA-N 239.388 2.511 30 20 BFED N#Cc1ccc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)o1 449544363 WCLQLZRNFUTBFC-LSDHHAIUSA-N 242.322 2.772 30 20 BFED C=C[C@@H]1OCCC[C@H]1NCc1cccc(C)c1 449548058 LCKZTXYTNYYQOM-CABCVRRESA-N 231.339 2.818 30 20 BFED C[C@H]1C[C@@H]1CNc1cccc(CC#N)c1 449702985 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30 20 BFED C=CCN(CC#CC)Cc1ccccc1F 357630053 PNVFQJPXLUHWTN-UHFFFAOYSA-N 217.287 2.837 30 20 BFED C=CCN(CC=C)c1cc(C)nc(C2CC2)n1 359016448 QPGKEODIKZQCAD-UHFFFAOYSA-N 229.327 2.841 30 20 BFED C[C@@H]1CCCC[C@@H]1N(C)C(=O)CCCC#N 360009064 ZEEGGPCSYHKDJE-NEPJUHHUSA-N 222.332 2.717 30 20 BFED CN(Cc1ccc(Cl)cc1C#N)CC(F)F 360061398 AWSBSMWNMCEKJZ-UHFFFAOYSA-N 244.672 2.909 30 20 BFED CC[C@@H]1C[C@@H]1NC(=O)[C@@H](C)c1cccc(C#N)c1 360534554 HENUBOZMCHYSSE-SUHUHFCYSA-N 242.322 2.576 30 20 BFED C=C[C@@H](C)N=c1cc(C)c2ccccc2[nH]1 380587753 RJWGWMMKMYJEPB-LLVKDONJSA-N 212.296 2.952 30 20 BFED C=CC(C)(C)CN[C@H]1CCOC2(CCC2)C1 385170932 MFKGPIBJWDEFMC-LBPRGKRZSA-N 223.360 2.890 30 20 BFED C=CCOCCOc1cc(F)c(F)cc1C 385404530 DZPIBIHIOUECOT-UHFFFAOYSA-N 228.238 2.855 30 20 BFED C=CC(C)(C)CN[C@@H](C)[C@H]1C[C@H]2CC[C@H]1O2 386578845 SWWCDKNVIYTWIF-UMSGYPCISA-N 223.360 2.744 30 20 BFED CC[C@H](C)NN=C(C)c1ccc(N)cc1C 390294355 AAPUHQPQQFFTTR-JTQLQIEISA-N 219.332 2.689 30 20 BFED 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C#CCCCNCc1ccc(OC)cc1Cl 309862873 NHJXZLMQAUEKLM-UHFFFAOYSA-N 237.730 2.852 30 20 BFED C[C@H](Nc1cnccc1C#N)c1cncs1 309862916 NKGPOXRNKMRHLZ-QMMMGPOBSA-N 230.296 2.583 30 20 BFED C=CCC[C@@H](CCC)NC[C@H](CO)C1CC1 310005312 GKEZQEGMXLVNLC-ZIAGYGMSSA-N 225.376 2.729 30 20 BFED CC1(C)CCCC[C@@H]1Nc1cc(C#N)ncn1 310342003 DCHHXRMNZIHQGW-NSHDSACASA-N 230.315 2.729 30 20 BFED C=CCC(C)(C)CN[C@H]1C[C@@H](C)N(C2CC2)C1 310583244 SJEIDAFUKWMZHV-OLZOCXBDSA-N 236.403 2.804 30 20 BFED C=C(CC)CNC[C@H](O)c1c(F)cccc1F 313499141 OQFPDFYXZYAQCE-LBPRGKRZSA-N 241.281 2.554 30 20 BFED CC(C)(C)CCC(=O)NCC(C)(C)CC#N 315790153 NXZOQLDPQFSOOG-UHFFFAOYSA-N 224.348 2.869 30 20 BFED C=CCC[C@H](CO)N[C@H](C)c1cccs1 320291528 QCOFXQVSNOGDQN-GHMZBOCLSA-N 225.357 2.726 30 20 BFED C=CCC[C@H](CO)NCc1cccc(C)c1C 320701362 YGBFNLZEIIYOOG-OAHLLOKOSA-N 233.355 2.720 30 20 BFED C=CCC[C@@H](CO)NCc1cccc(C)c1F 321431505 LUHDTKDQICBKMA-ZDUSSCGKSA-N 237.318 2.551 30 20 BFED C[C@@H]1CCCC[C@H]1/N=C(/O)c1csc(O)n1 329907810 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CRMIMBUVCXSWFU-RNCFNFMXSA-N 245.326 2.503 30 20 BFED CCC[C@H](C#N)N(C)C(=O)c1cc(C)oc1C 339175239 WBLFPANJDKMVTK-LLVKDONJSA-N 234.299 2.661 30 20 BFED CC(C)n1cc(CNCC(C)(C)CCC#N)cn1 342274977 IPTQYWQPACYMSM-UHFFFAOYSA-N 248.374 2.884 30 20 BFED C=CCCC1(C(=O)N[C@@H]2CC[C@@H]2C)CC1 343997751 YPWWAHFHFAPLAC-WDEREUQCSA-N 207.317 2.648 30 20 BFED C[C@@H](CCC1CC1)NC(=O)NCCCCC#N 346002643 LGYJGFKYSOZODJ-NSHDSACASA-N 237.347 2.558 30 20 BFED CCc1ccc(CN(CCC#N)CC2CC2)cn1 347823578 UYORNNNTPXBZCA-UHFFFAOYSA-N 243.354 2.770 30 20 BFED CC[C@@H]1CC[C@@H]1NCCc1cccc(C#N)c1 348255833 KKWSFOSAULEWGH-CABCVRRESA-N 228.339 2.879 30 20 BFED C=CCCCCNCc1cnc2n[nH]c(C)c2c1 349595341 CKMFCAVGTCRGAG-UHFFFAOYSA-N 244.342 2.712 30 20 BFED C=CCOCC(=O)N[C@H](C)CCCC(C)C 354546410 UTFCYOCIDULOHG-GFCCVEGCSA-N 227.348 2.520 30 20 BFED C[C@H](CCN(C)CCC#N)OCc1ccccc1 354864853 VAOUWAWYRQHASG-CQSZACIVSA-N 246.354 2.827 30 20 BFED C=C(CC)CN(C)CC[C@H]1CCCCN1C 358515235 XLZGOUUIGNZJSR-CQSZACIVSA-N 224.392 2.759 30 20 BFED CCc1cnccc1[C@@H](C)NC(=O)CCCC#N 360762775 LOEMNTLAUQIOEC-LLVKDONJSA-N 245.326 2.515 30 20 BFED N#Cc1cnccc1N1CCC[C@H](C2CC2)C1 367283688 YKSUZRNWNLYFDI-LBPRGKRZSA-N 227.311 2.580 30 20 BFED C#C[C@@H](CC)NCCc1ccc(F)cc1F 381534794 DXNNMKBGVZKZMN-LBPRGKRZSA-N 223.266 2.509 30 20 BFED CCCCOCCN1CCC(CCC#N)CC1 399271837 BMAQKSPUFSBRBF-UHFFFAOYSA-N 238.375 2.819 30 20 BFED CCC(C#N)(CC)C(=O)N1CC[C@](C)(CC)C1 399273859 FHDLFAKLDYGZEI-ZDUSSCGKSA-N 236.359 2.965 30 20 BFED CC[C@H](C)[C@H](C)N=c1cc(C)[nH]cc1C#N 399617883 YBMMJYODGKNRTH-ONGXEEELSA-N 217.316 2.530 30 20 BFED CN(CC(C)(C)C)c1ncc(C#N)cc1F 413118465 UKAUBBQXYZPUNY-UHFFFAOYSA-N 221.279 2.575 30 20 BFED C=CC[C@H](CC)NC(=O)N[C@@H]1CS[C@H](C)C1 413522602 XNZDHGPMMBTJPN-VWYCJHECSA-N 242.388 2.534 30 20 BFED C=C(C)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C 421871914 UNTQMBADYHSUOV-UHFFFAOYSA-N 248.282 2.518 30 20 BFED C=CCOCC(=O)N(C)C1CCC(C)(C)CC1 446449687 NPKBPZCRMJTROI-UHFFFAOYSA-N 239.359 2.616 30 20 BFED C=CCCCNC(=O)N(C)[C@H](C)C1CCC1 448383904 IXTFUQCZRZVBFK-LLVKDONJSA-N 224.348 2.783 30 20 BFED C=C(C)CCNC(=O)c1ccc(OC)c(F)c1 448550733 IZYFGYHLCVMBEI-UHFFFAOYSA-N 237.274 2.530 30 20 BFED CCC[C@@H]1CCC[C@H]1C(=O)N[C@H](C#N)CC 448848503 YWIWQFPVXAQRKS-GRYCIOLGSA-N 222.332 2.621 30 20 BFED CCN(CCC#N)Cc1ccc(C)cc1OC 449010950 NQSIIUTUKDGNOC-UHFFFAOYSA-N 232.327 2.739 30 20 BFED C[C@@H]1[C@H](NC2CCC(C)(C#N)CC2)CCCN1C 449233747 MVIZUFGWKRBFHC-FEWQNLEASA-N 249.402 2.531 30 20 BFED C[C@@H]1C[C@]1(C#N)C(=O)N1CCC[C@@H](C(C)(C)C)C1 451378731 PFSGLQDRUSIDHR-LALPHHSUSA-N 248.370 2.821 30 20 BFED C=CCCCCNC(=O)N1C[C@@H](C)C[C@@H]1C 472867280 FDGSETIUNVYNID-RYUDHWBXSA-N 224.348 2.783 30 20 BFED C=CCC(C)(C)CNC(=O)[C@@H]1[C@H]2CCC[C@H]21 489730661 CCKPKGBRWFRRPO-GDNZZTSVSA-N 221.344 2.751 30 20 BFED C#C[C@H](NC(=O)C(C)C)c1ccc(Cl)cc1 491651734 IQJCNQOSHUBVLX-LBPRGKRZSA-N 235.714 2.787 30 20 BFED CC(C)(C)CN(CCC#N)C(=O)OCCCF 496676213 BPYNYVKMQWIEQO-UHFFFAOYSA-N 244.310 2.744 30 20 BFED C[C@H](NC(=O)OC1CCC1)c1ccc(C#N)cc1 497180311 RNALHGWIZXAHRQ-JTQLQIEISA-N 244.294 2.898 30 20 BFED N#CCC[C@H](C#N)CN[C@H]1CCCc2occc21 516921956 ZDOKZIQDXSRFIC-YPMHNXCESA-N 243.310 2.690 30 20 BFED C=CCCCCN(CCO)[C@H]1CC[C@H](C)C1 562700198 JDSHIOTYLVRCHQ-KBPBESRZSA-N 225.376 2.826 30 20 BFED CCCN(C(=O)c1cc(C#N)oc1C)C(C)C 565161163 GPRICYJRANEURF-UHFFFAOYSA-N 234.299 2.720 30 20 BFED C[C@H]1CN(Cc2ccc(C#N)cn2)C(C)(C)C1 566413992 KPRJGVKBZDXFMO-LLVKDONJSA-N 229.327 2.574 30 20 BFED CC[C@@H](F)CN1CCC(CCC#N)CC1 567790354 XXMXEVYMNRNPGS-GFCCVEGCSA-N 212.312 2.750 30 20 BFED CC[C@@]1(C)CCCN(Cc2ccc(C#N)cn2)C1 569255712 DPYHCVSRMQIGHY-HNNXBMFYSA-N 243.354 2.965 30 20 BFED C=CCCCCN1CCC[C@H](N(C)C)CC1 581707428 AVLCWOMVOXLKHT-AWEZNQCLSA-N 224.392 2.759 30 20 BFED Cc1noc(C)c1CSc1cccnc1C#N 582796771 ZAOPGOXICIIJQB-UHFFFAOYSA-N 245.307 2.850 30 20 BFED CC[C@@H](CNCCC#N)Oc1ccccc1C 583989990 YOXOBGXGXOAISD-ZDUSSCGKSA-N 232.327 2.656 30 20 BFED C[C@H](CCC#N)N(C)Cc1cccc(O)c1 591015738 MHXHWFFQFMIWOD-LLVKDONJSA-N 218.300 2.516 30 20 BFED CC1(NCc2ccc(C#N)c(F)c2)CC=CC1 594512663 VNDFGRXMFIAMJM-UHFFFAOYSA-N 230.286 2.896 30 20 BFED C[C@@H](CCO)SCCc1ccc(C#N)cc1 594889210 FCBJJCMGOPWMSJ-NSHDSACASA-N 235.352 2.605 30 20 BFED C=CCCN[C@@H]1CCc2ccc(C#N)cc21 595060130 RZZCBCNQCHKSDF-CQSZACIVSA-N 212.296 2.711 30 20 BFED C=CCC[C@H](C)N[C@@H]1CCC[C@@H]([S@](C)=O)C1 595062516 UOVKSZWYSKWREF-VLXAULBPSA-N 243.416 2.620 30 20 BFED CC1(C#N)CCN([C@@H](C#N)c2ccccc2)CC1 595428156 MRTJEZCSPYCWJQ-AWEZNQCLSA-N 239.322 2.877 30 20 BFED C=CCCN(C)[C@@H](C#N)c1ccccc1 595454238 FLHKSGDMHQMGKN-ZDUSSCGKSA-N 200.285 2.759 30 20 BFED C=CCN(CCCC(C)(C)C#N)[C@@H](C)COC 595648915 WPJOJBPSWKHROD-ZDUSSCGKSA-N 238.375 2.839 30 20 BFED CC1(C)C[C@H]1CN=c1[nH]c(C#N)c(Cl)s1 596120763 AHUQNXGQYMHZIW-LURJTMIESA-N 241.747 2.548 30 20 BFED C[C@H](O)CCSCCc1ccc(C#N)cc1 596383695 FIQBBOIKZZFDLL-NSHDSACASA-N 235.352 2.605 30 20 BFED N#Cc1ccc(NC(=O)N[C@]23CCC[C@@H]2C3)cc1 596440151 AESWJCAGBKWVEF-RISCZKNCSA-N 241.294 2.622 30 20 BFED N#Cc1c(F)cccc1N1CC[C@H]2C[C@H]2C1 596510589 MVTBCZVHKCEHGG-UWVGGRQHSA-N 216.259 2.544 30 20 BFED CC(C)CC1(NC(=O)c2ccc(C#N)cc2)CC1 598401802 CTKBQRAAHDOQDE-UHFFFAOYSA-N 242.322 2.867 30 20 BFED CC[C@@H](C)C(=O)Nc1cc(F)cc(C#N)c1 601714414 HNDMXVPNPMBLSQ-MRVPVSSYSA-N 220.247 2.682 30 20 BFED C[C@H](CCC#N)CN[C@@H]1COc2ccccc2C1 602535270 LQDOEKGVFJHSSZ-OCCSQVGLSA-N 244.338 2.520 30 20 BFED N#CCC1(CN2CCCC3(CCOCC3)C2)CC1 602778979 DPUAXWPCWQDXER-UHFFFAOYSA-N 248.370 2.573 30 20 BFED Cc1sccc1NC(=O)N(C)[C@@H](C)CC#N 603093107 ULWJVLLWMXEPTM-QMMMGPOBSA-N 237.328 2.822 30 20 BFED CCN(CC)C(=O)N[C@@H](C)c1cccc(C#N)c1 610339444 VHDWEZVKMBTFQS-NSHDSACASA-N 245.326 2.671 30 20 BFED C=C[C@H](C)NC(=O)c1ccc(Cl)c(C#N)c1 612478737 LRVJTQZLOUVIMJ-QMMMGPOBSA-N 234.686 2.516 30 20 BFED C=C[C@H]1CCCCN1C(=O)Cc1occc1C 614131160 AUHIEYLVSFPKPN-LBPRGKRZSA-N 233.311 2.698 30 20 BFED C=CCCNC(=O)Cc1cccc(C)c1Cl 617617509 JHRLCWMEZYQNOD-UHFFFAOYSA-N 237.730 2.883 30 20 BFED C=CC[C@H]1CCCN(C(=O)CCCOCC)C1 617785972 QTAABDZQTRQQQW-ZDUSSCGKSA-N 239.359 2.618 30 20 BFED C=CCC1(NC(=O)[C@@H]2CCO[C@H]2C=C)CCCC1 619110746 OUFBHXXRRYFJNC-OLZOCXBDSA-N 249.354 2.583 30 20 BFED C=CC[C@H](CC)NC(=O)N[C@@H]1CCC[C@@H](F)C1 645365027 IZEOSEUHNULNNM-GRYCIOLGSA-N 242.338 2.921 30 20 BFED C=CC[C@@H]1CCCN(C[C@@H]2C[C@H]3CC[C@H]2O3)C1 661386915 WNRWKIPJEGBWMV-LXTVHRRPSA-N 235.371 2.842 30 20 BFED CCC#C[C@@H](C)n1ccc(C(F)(F)F)cc1=O 673447494 KVKSKVYGPUABIA-SECBINFHSA-N 243.228 2.842 30 20 BFED C=CCCN(C)CC1Cc2ccccc2C1 685844425 OCFKAFVMYVCDCU-UHFFFAOYSA-N 215.340 2.909 30 20 BFED C=CCC1(NC(=O)c2cccc(F)n2)CCCC1 690813699 ABFIVJFDUHCCMU-UHFFFAOYSA-N 248.301 2.839 30 20 BFED COCC(C)(C)CNc1ccc(OCC#N)cc1 700613923 GAUZZIBPLJFCIB-UHFFFAOYSA-N 248.326 2.673 30 20 BFED CCCCCCCNC(=O)[C@@](C)(N)CCC 703755494 DBFSKOAJTGPDTO-ZDUSSCGKSA-N 228.380 2.591 30 20 BFED C#C[C@](C)(CC)NCc1ccc(Cl)cn1 703924842 PPAUAUONIBIHNM-GFCCVEGCSA-N 222.719 2.627 30 20 BFED CCC(C#N)(CC)C(=O)N1C[C@H]2CCCC[C@H]21 706869585 SLNBWZHAFCMNAT-VXGBXAGGSA-N 234.343 2.717 30 20 BFED C#Cc1cccc(N(CC)C[C@@H]2CCOC2)c1 728572972 GXARFZNGGASYOU-AWEZNQCLSA-N 229.323 2.531 30 20 BFED C=CCOC(=O)/C=C(\C)Cc1ccccc1OC 730345888 SFLKTBJFQBUODU-VAWYXSNFSA-N 246.306 2.913 30 20 BFED CC(=NNc1cc(C)ncn1)c1cccs1 731934503 BEHYBWFURILMRP-UHFFFAOYSA-N 232.312 2.683 30 20 BFED C=CCN(Cc1nonc1C)CC1CCCCC1 734149375 JMTOYWWKDMSQRO-UHFFFAOYSA-N 249.358 2.946 30 20 BFED C=CCCC(=O)Oc1ccc(NC(=O)O)cc1 736097395 KFVLXOAWKSPYPF-UHFFFAOYSA-N 235.239 2.648 30 20 BFED C=C(C)CNC(=S)N[C@H]1CCCC1(C)C 749896859 FYUOKSQDDXTAJR-JTQLQIEISA-N 226.389 2.605 30 20 BFED C[C@@]1(C#N)CCCN(Cc2ccccc2O)C1 753586061 DTCVITCUVOUXBM-AWEZNQCLSA-N 230.311 2.518 30 20 BFED CCN(Cc1ccc(OC)cc1C)C[C@H](C)C#N 757651644 XSODVQOYPIJUNG-GFCCVEGCSA-N 246.354 2.985 30 20 BFED CC(=NNc1ncccc1[N+](=O)[O-])C1CCC1 759200447 BTDCLTLSZMHAEN-UHFFFAOYSA-N 234.259 2.578 30 20 BFED C#CCCCC(=O)Nc1cc(C)c2c[nH]nc2c1 760487908 WEWZZKFUMFYCFD-UHFFFAOYSA-N 241.294 2.613 30 20 BFED CC#CC(=O)N(C)C1CCCCCCC1 764476772 SLTIXOKRSKDAGB-UHFFFAOYSA-N 207.317 2.581 30 20 BFED CC[C@H](C)CON=C(N)c1ccc(F)cc1 764547654 OSKJHQBAGSYVCR-VIFPVBQESA-N 224.279 2.509 30 20 BFED CCCCCCCOC(=O)[C@@H]1C[C@]12CCOC2 764644562 DPEWTCIUXNGQAK-JSGCOSHPSA-N 240.343 2.927 30 20 BFED Fc1ccc(/C=C\C=NNCC(F)(F)F)cc1 769814998 OQULCMXVXLXEMT-RTDHGNNNSA-N 246.207 2.977 30 20 BFED CCCCCCCC(=O)N1CCCOC[C@H]1C 773138091 FUYHWMQOZYRZMF-CYBMUJFWSA-N 241.375 2.984 30 20 BFED C#C[C@@H](NCCC1CCCCC1)[C@@H]1CCCO1 775789892 FVDUYMXHXVETGO-CABCVRRESA-N 235.371 2.727 30 20 BFED C[C@H](NN=Cc1ccc(F)nc1)c1ccccc1 777432543 DVFIQDFNLSDSSN-NSHDSACASA-N 243.285 2.905 30 20 BFED N#Cc1ccc(CNc2ccc(F)nc2)c(F)c1 777511628 GIQMOHUOARZDPP-UHFFFAOYSA-N 245.232 2.844 30 20 BFED COc1cccc(C=NNc2ccnc(F)c2)c1 781133451 WBJYEFVKQABYEB-UHFFFAOYSA-N 245.257 2.675 30 20 BFED C[C@H]1C[C@H]1C(=O)OCCCC(C)(C)C#N 782030688 HLUSWKQTUAYTRJ-VHSXEESVSA-N 209.289 2.516 30 20 BFED C/C(=C/C(=O)NCC(C)(C)C#N)c1ccccc1 782100454 SOYQDMVKKXERKL-XFXZXTDPSA-N 242.322 2.756 30 20 BFED C=CCCOCC(=O)OCc1ccccc1CC 782260603 AHUGUMMTQUMJFE-UHFFFAOYSA-N 248.322 2.885 30 20 BFED CCCCCC[C@H](C)C(=O)O[C@H](C#N)COC 785344989 VKNPNHZECLKBNO-NWDGAFQWSA-N 241.331 2.675 30 20 BFED C1CC(=NOC[C@H]2CCOC2)C[C@H](C2CC2)C1 788030273 MKSXLVHCKFVADK-WCQYABFASA-N 237.343 2.996 30 20 BFED C[C@H]1CCCC(=NNCCc2ccncc2)C1 789097874 MHPGDVVGGWKWNI-LBPRGKRZSA-N 231.343 2.780 30 20 BFED Fc1cccc(NN=Cc2ccccc2)n1 795009251 YJIMVLHAVRQDNN-UHFFFAOYSA-N 215.231 2.667 30 20 BFED C=C(C)CCOC(=O)c1c(C)nsc1C 795929145 HXVKTUUZBJIUMP-UHFFFAOYSA-N 225.313 2.883 30 20 BFED CC[C@](C)(C#N)C(=O)OCCOc1ccccc1 796829066 YUWLBGWDWLGAMG-CQSZACIVSA-N 247.294 2.548 30 20 BFED C#C[C@H](NC(=O)C1CCC(C)(C)CC1)C(C)C 799044389 CYQYDRJASGWCOB-ZDUSSCGKSA-N 235.371 2.977 30 20 BFED C#CCN(CC#N)Cc1csc2ccccc12 799201614 KLPUMVZAUXEQNT-UHFFFAOYSA-N 240.331 2.860 30 20 BFED C=C(Cl)COC(=O)[C@H]1C[C@H]2CC[C@H]1C2 805717936 CJRHOEZABTXYFM-GUBZILKMSA-N 214.692 2.718 30 20 BFED C#C[C@H](NC(=O)N[C@H](C)C1CCC1)C(C)(C)C 808286142 AYRHYZFEMRWROX-PWSUYJOCSA-N 236.359 2.522 30 20 BFED Cl/C=C/CON=Cc1c[nH]c2ncccc12 811668370 NDMMEMIKUBYBAI-PLAOTSBASA-N 235.674 2.666 30 20 BFED CC(=NOCCOC(C)C)c1sccc1O 812239184 OVJRPYBYASTOMB-UHFFFAOYSA-N 243.328 2.619 30 20 BFED CCc1ccc(C#CC(=O)N(CC)C(C)C)cc1 814586848 FSIOAIJUJFTDAJ-UHFFFAOYSA-N 243.350 2.857 30 20 BFED C#CCN1CC[C@H](c2ccc(CC)cc2)C1 814642095 NFGYKUPENJSPRX-HNNXBMFYSA-N 213.324 2.672 30 20 BFED OCCC[C@H]1CCCCC1=NNc1ccccn1 814731536 CTIXRBYMYTYZKQ-GFCCVEGCSA-N 247.342 2.812 30 20 BFED CSCCCC=NN=c1cc[nH]cc1Cl 814868742 HFKDNVRJBPILHY-UHFFFAOYSA-N 243.763 2.698 30 20 BFED CSCCCC=NNCc1ccc(C#N)cc1 814883030 XHJQIZAGIWECBI-UHFFFAOYSA-N 247.367 2.777 30 20 BFED Cc1cc(C#N)cnc1C(=O)O[C@@H]1C=CCCC1 815341061 YSRIELCNKYGOJI-GFCCVEGCSA-N 242.278 2.527 30 20 BFED C[C@@]1(COC(=O)c2ccc(C#N)o2)C[C@@H]2C[C@@H]2C1 816135645 CKEAQSZLWSQCCH-MSRIBSCDSA-N 245.278 2.744 30 20 BFED CC(C)C#CC(=O)N(C)[C@@H]1CCC[C@H](C)C1 821293851 MMJMFJZYQVZMHK-QWHCGFSZSA-N 221.344 2.683 30 20 BFED CCOc1ccc(NC(=O)C#CC(C)C)cc1F 822936406 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C=C[C@H](C)ON=CCc1ccc([N+](=O)[O-])cc1 844626575 XOHWDHHBVORZEN-JTQLQIEISA-N 234.255 2.714 30 20 BFED C=C[C@H](C)ONC(=O)N(C)[C@H]1CCC[C@H](C)C1 845633976 QHWFHQPYTWHWIN-SRVKXCTJSA-N 240.347 2.713 30 20 BFED C=CC[C@@H]1CCCN(C(=S)NC2(C)CC2)C1 849279924 LVZFPKVXLRCETI-LLVKDONJSA-N 238.400 2.702 30 20 BFED Cc1cc(SC[C@@H]2CCC(=O)O2)ccc1C#N 849925460 CWBVTMLSHWZGIN-NSHDSACASA-N 247.319 2.664 30 20 BFED C=CC(C)(C)CCOC(=O)[C@@H]1CC1(F)F 851300063 JLOYWRRQEQYEQY-QMMMGPOBSA-N 218.243 2.787 30 20 BFED CC[C@@H](C)CON=Cc1c(C2CC2)cnn1C 853349626 CSXRPEHRTQVGTQ-SNVBAGLBSA-N 235.331 2.694 30 20 BFED Cc1nn(C(C)C)cc1C=NN1CCCC[C@H]1C 853381885 NRYNNPLADLASPX-GFCCVEGCSA-N 248.374 2.981 30 20 BFED C#CCOc1cccc(OCC2(CC#N)CC2)c1 853665667 AZOBXKYRCLOPQY-UHFFFAOYSA-N 241.290 2.771 30 20 BFED C#C[C@](C)(CC)NC(=O)c1ccc(OC)cc1C 854698173 SUFQLTWACKBRSV-OAHLLOKOSA-N 245.322 2.535 30 20 BFED C=CC[C@H]1CCCN(C(=O)[C@@H](F)C(C)C)C1 855437436 WWLKQTSXJJIOTO-RYUDHWBXSA-N 227.323 2.795 30 20 BFED 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C=C(C)CN(CC)c1ccc(C(=O)OCC)cn1 97220615 SNOQTTQANMUJTE-UHFFFAOYSA-N 248.326 2.661 30 20 BFED CCCN(C)C(=O)Nc1ccc(F)cc1C#N 97472858 AERGPKRGYCGVPS-UHFFFAOYSA-N 235.262 2.571 30 20 BFED CCCCCCC(=O)N(CC)C[C@H](C)C#N 97727958 XRVFCHMVTVBJBI-GFCCVEGCSA-N 224.348 2.965 30 20 BFED CCN(CC)/C(N)=N/CCCCC(C)(C)C 104193987 RATNIEJZYRLGRY-UHFFFAOYSA-N 227.396 2.859 30 20 BFED C=CC1CCN(C(=O)/C=C/C=C/C)CC1 110361553 BVZRCAJYJLATRD-TWTPFVCWSA-N 205.301 2.543 30 20 BFED CCCCCCCCN(C)C[C@@H](C)N 111221311 ODNCFUYHPQFDPL-GFCCVEGCSA-N 200.370 2.626 30 20 BFED C=CCCCOC(=O)c1ccc(OC)cc1F 117993072 DKTGMJUNEHPWCW-UHFFFAOYSA-N 238.258 2.957 30 20 BFED C=C(C)COCCN[C@@H](C)CCC(C)C 119157495 OQBZDASXIQFMIP-ZDUSSCGKSA-N 213.365 2.993 30 20 BFED Oc1ccc(/C=N/C[C@H]2CC=CCC2)c(O)c1O 121236199 JFZIGLYXKCWUCU-CNOAHFENSA-N 247.294 2.579 30 20 BFED C=CCN(C)Cc1cccc([N+](=O)[O-])c1C 121351127 PFOPCIJBPKPGMZ-UHFFFAOYSA-N 220.272 2.521 30 20 BFED C=CCC(CC=C)C(=O)N(C)Cc1ccncc1 121813700 VPWQROQNNDKFEO-UHFFFAOYSA-N 244.338 2.808 30 20 BFED C=CCN1CCC[C@@H]1CC(=O)c1cccs1 121823202 PRQIVLMYCRGLDC-LLVKDONJSA-N 235.352 2.971 30 20 BFED C=CCN(CC=C)C(=O)CC1CCSCC1 123047305 IVLATYOPPOMZMC-UHFFFAOYSA-N 239.384 2.720 30 20 BFED CC[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 125865640 ZPKHKZSNBXTONR-NSHDSACASA-N 232.302 2.929 30 20 BFED C#Cc1cccc(NC(=O)N2CC[C@@H](CC)C2)c1 130553021 RAYSXVWZVQDRFX-CYBMUJFWSA-N 242.322 2.932 30 20 BFED CC1(CNc2ccc(C#N)nc2)CCCC1 131906993 QSMLGLNUTNFVEI-UHFFFAOYSA-N 215.300 2.945 30 20 BFED CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)cc1 156462640 CGOWULYMCDWNTR-OCCSQVGLSA-N 242.322 2.867 30 20 BFED CC#CCCNC(=O)C1CCCCCCC1 164597614 OURYGWCMECFWCJ-UHFFFAOYSA-N 221.344 2.877 30 20 BFED Cc1cc(C#N)ccc1CN(C)CC(C)C 165438686 FLVNVCVCCACBGE-UHFFFAOYSA-N 216.328 2.955 30 20 BFED CCCCCCCC(=O)N[C@@H](C)C[C@H](C)N 165673785 CRKKOYYMJZFGIS-RYUDHWBXSA-N 228.380 2.589 30 20 BFED C=C(C)CNC1(c2noc(CC)n2)CCCC1 174237964 RVHLCDBLJCRVLU-UHFFFAOYSA-N 235.331 2.567 30 20 BFED CC(C)N(C(=O)Nc1ccc(C#N)cc1)C1CC1 175138137 JYDVSVHJHARNLH-UHFFFAOYSA-N 243.310 2.963 30 20 BFED C=CCCCC(=O)N1CCOc2cccc(F)c21 177762420 KJGFHWVEJZQVKB-UHFFFAOYSA-N 249.285 2.907 30 20 BFED CC(C)(C)c1ccc2c(c1)CCN2C(=O)CC#N 184590529 VWAMDHWISNKPGG-UHFFFAOYSA-N 242.322 2.787 30 20 BFED N#C[C@@H]1CCC[C@H](NCc2ccccc2F)C1 185757206 KCAJUDASDXBAAN-YPMHNXCESA-N 232.302 2.998 30 20 BFED C=CC[C@@H](C)[C@@H](C)NCC(C)(C)OCC 188692461 NYKXKLFHMXXHAK-VXGBXAGGSA-N 213.365 2.992 30 20 BFED CCC(C)(C)CNC(=O)C1(C#N)CCCC1 189996029 BMYHNFHDPJTPKV-UHFFFAOYSA-N 222.332 2.623 30 20 BFED C=CCCN(CCC)[C@@H](CC)C(=O)OCC 190359505 OIRUIMKKEJKUAB-LBPRGKRZSA-N 227.348 2.616 30 20 BFED C#CCSCCNCc1sccc1Cl 193120283 CQILYQCWJFPEJK-UHFFFAOYSA-N 245.800 2.858 30 20 BFED CSC1(C/N=C(\N)Nc2ccccc2)CCC1 193260397 BSGRNJGVDGUCLF-UHFFFAOYSA-N 249.383 2.699 30 20 BFED C=CCN(C(=O)C[C@H](C)OC)c1ccccc1 195359879 RADGFTFPQBSTHH-LBPRGKRZSA-N 233.311 2.631 30 20 BFED CCC[C@H](O)CNc1ccc(C#N)cc1Cl 218001848 GZJHWWZPXMZGQQ-JTQLQIEISA-N 238.718 2.785 30 20 BFED COC(=O)[C@]1(C(C)C)O[C@]12CCC[C@@H](C)C2 220852832 IPVRIONGKHXBJM-WXHSDQCUSA-N 226.316 2.533 30 20 BFED C=C(CC)Cn1cnc2c(C)csc2c1=O 222231066 AYAVEWZNIZIREZ-UHFFFAOYSA-N 234.324 2.733 30 20 BFED C#C[C@@H](CC)NCc1ccc(CC)s1 225263935 FUOVTNIEEXFANP-JTQLQIEISA-N 207.342 2.812 30 20 BFED C#C[C@@H](CC)NCc1ccc(Cl)s1 229533420 ABMNRSYQRHDKDP-QMMMGPOBSA-N 213.733 2.903 30 20 BFED CC[C@@](C)(C#N)C(=O)Nc1ncccc1Cl 231770291 CIGREUAXUSZLMK-NSHDSACASA-N 237.690 2.613 30 20 BFED C[C@H]1CN(CCCCC(C)(C)C#N)[C@@H](C)CO1 235586955 FKBZIQZAFALCDZ-STQMWFEESA-N 238.375 2.816 30 20 BFED C=CCCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 245392394 TWROAOHYDOJHBQ-SDDRHHMPSA-N 209.333 2.894 30 20 BFED CC(C)[C@@H](C)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 247584667 ZGLDPHHBLDTEPQ-YRGRVCCFSA-N 236.359 2.867 30 20 BFED CN(Cc1cccc(F)c1)CC(C)(C)C#N 258855690 DYXFFLWYEZHZFI-UHFFFAOYSA-N 220.291 2.807 30 20 BFED C[C@H]1[C@H](C)CCN1c1snc(Cl)c1C#N 267572052 AISWRVVXHUUZQA-RQJHMYQMSA-N 241.747 2.903 30 20 BFED C[C@@H]1CCN(c2ncccc2C#N)C[C@@H](C)C1 269758693 DCWCZWQALPYESW-NEPJUHHUSA-N 229.327 2.826 30 20 BFED CC#CC/N=C(\N)Nc1c(CC)cccc1CC 270566602 LYBSQAKENGIHHV-UHFFFAOYSA-N 243.354 2.561 30 20 BFED N#CCC(=O)N1CCCCC[C@H]1c1ccco1 274181110 KINJBQGSOOMUEC-NSHDSACASA-N 232.283 2.637 30 20 BFED C=C(C)CCOc1ccc(Cl)cc1C(N)=O 274719291 DMPXZSHDSFTTRR-UHFFFAOYSA-N 239.702 2.784 30 20 BFED C=C(C)CCN(CCC(N)=O)c1cccc(C)c1 274758228 CUKGPNGZSFGEQI-UHFFFAOYSA-N 246.354 2.643 30 20 BFED CCc1cccc(CN(CC)CC#N)c1 276139420 CHWSFQNGMGVJBU-UHFFFAOYSA-N 202.301 2.594 30 20 BFED C#CCCCC(=O)NC1(c2ccccc2)CC1 277023793 NCKKZVRNQUOECO-UHFFFAOYSA-N 227.307 2.595 30 20 BFED C[C@@H](CNc1c(Cl)cccc1C#N)N(C)C 277029076 DNHJPYZDFBIKJX-VIFPVBQESA-N 237.734 2.574 30 20 BFED C=CCCC(=O)NCc1ccc2c(n1)CCCC2 278421269 NDIGDLYUSYBMKV-UHFFFAOYSA-N 244.338 2.543 30 20 BFED C[C@@H](CC(=O)N1CC(C)(C#N)C1)c1ccccc1 280609515 ZIGMAQKXMYUEMK-LBPRGKRZSA-N 242.322 2.552 30 20 BFED CC[C@](C)(C#N)c1nc(C(C)(C)C)no1 285641054 WPWXLOARPVOSFX-LLVKDONJSA-N 207.277 2.558 30 20 BFED CC[C@](C)(C#N)c1nc(-c2ccoc2)no1 289017285 IGGGUVSRKJHALI-LLVKDONJSA-N 217.228 2.521 30 20 BFED C=CCC(C)(C)CNCc1ccc(C#N)o1 293077650 WAQBWDKXHIFNSH-UHFFFAOYSA-N 218.300 2.843 30 20 BFED C=CCC(C)(C)CNC(=O)Cc1cccnc1C 293742320 JGAHAVKSKKPAMN-UHFFFAOYSA-N 246.354 2.651 30 20 BFED CCC1(CC)CN(C(=O)c2ccc(C#N)cc2)C1 294579147 YBZQJHXRIUUIQA-UHFFFAOYSA-N 242.322 2.820 30 20 BFED CC(C)[C@H]1CCC[C@H](NC[C@H](C)C#N)C1 300236376 MOIUNZLECUHJQU-AGIUHOORSA-N 208.349 2.950 30 20 BFED C#C[C@H](NC(=O)C1(CC)CCCC1)C(C)C 301017477 ZZEDNQBRBUZLRX-LBPRGKRZSA-N 221.344 2.731 30 20 BFED N#Cc1ccc(Sc2cccc(F)c2)nn1 301975137 VSJAYORWGDLLSS-UHFFFAOYSA-N 231.255 2.639 30 20 BFED Cc1nc(NCC(C)(C)C#N)sc1C 306537598 LOEIEKYPFWTLMT-UHFFFAOYSA-N 209.318 2.722 30 20 BFED C[C@@H](C#N)CNc1ncc(Cl)cc1Cl 307753745 WYGBPYSSKFCUSV-LURJTMIESA-N 230.098 2.960 30 20 BFED C=CCCCCCCNC(=O)NCCC 308793110 HZGLQEVYNGKRNG-UHFFFAOYSA-N 212.337 2.832 30 20 BFED CC(=NOCC(F)(F)F)c1ccc(N)cc1 309269723 KPRDWTRAOIHRPH-UHFFFAOYSA-N 232.205 2.572 30 20 BFED C=C(C)CCNc1cccc(C(=O)OC)c1 309455237 MDGSQUPLPVJBML-UHFFFAOYSA-N 219.284 2.851 30 20 BFED Cc1ccoc1C(=O)Nc1cccc(CC#N)c1 313407617 HNJQXWABFWDPJT-UHFFFAOYSA-N 240.262 2.906 30 20 BFED O/C(=N/[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CC=CCC1 329611905 OHQKZAXNXWHZTN-GHMZBOCLSA-N 245.326 2.580 30 20 BFED CC[C@H](CCO)/N=C(/O)c1cc[nH]c1C(C)C 330609047 LRRPAFVIJQKQMO-SNVBAGLBSA-N 238.331 2.604 30 20 BFED CN(CC#N)C(=O)CC1CCC(C)(C)CC1 334182006 FAJBFQOUGLAZSF-UHFFFAOYSA-N 222.332 2.575 30 20 BFED CC1(NC(=O)N[C@@H]2CCC[C@H]2C#N)CCCCC1 335155268 MLUCHTASROJSOT-NWDGAFQWSA-N 249.358 2.701 30 20 BFED CC[C@@H]1CCCN1C(=O)c1cc(C#N)cs1 335541291 XWPGVLVPVNWIFV-SNVBAGLBSA-N 234.324 2.634 30 20 BFED C=CC(C)(C)C(=O)N[C@H]1COCc2ccccc21 335653401 BIJXKAMSMNAANA-ZDUSSCGKSA-N 245.322 2.586 30 20 BFED N#CCC1CCN(c2ccc(Cl)cn2)CC1 335699242 HJJMMRHTINXXJE-UHFFFAOYSA-N 235.718 2.865 30 20 BFED N#C[C@H]1N(CC2CCC2)CCC[C@]12CCCCO2 335748468 SXKPNLBCKUOJBS-HUUCEWRRSA-N 248.370 2.714 30 20 BFED CC1(C)CCCN(C[C@@H]2CCSC2)[C@@H]1C#N 336107241 FNYXREYLUHHHMB-NWDGAFQWSA-N 238.400 2.754 30 20 BFED N#C[C@@H]1CC[C@H](NC[C@@H]2CCCCS2)C1 336744645 ZRCBUHHHRWAYGA-WOPDTQHZSA-N 224.373 2.554 30 20 BFED CCSCCN1CCc2ccc(C#N)cc21 339829593 FOIXEDKLNWIKEP-UHFFFAOYSA-N 232.352 2.674 30 20 BFED C=CCC(C)(C)c1noc([C@H]2CO[C@H](C)C2)n1 340765285 BCASBXUXIVYYMT-NXEZZACHSA-N 236.315 2.816 30 20 BFED N#Cc1cccc(CCN[C@@H]2CCCSC2)c1 341485038 LXDBKROGEAHPTD-CQSZACIVSA-N 246.379 2.586 30 20 BFED N#CCCCNC(=O)C/C=C/c1ccccc1F 342626795 DVHCKGUYSYYESC-FNORWQNLSA-N 246.285 2.649 30 20 BFED C=CCCCN1CCC(CC(=O)OCC)CC1 344594082 FMTJLZCDOYPAIU-UHFFFAOYSA-N 239.359 2.618 30 20 BFED C=CCCC[C@H](C)NC(=O)N[C@H]1CC[C@H](F)C1 345590706 JJLITCZRRVTPGT-SRVKXCTJSA-N 242.338 2.921 30 20 BFED Cc1nc(CCNCC(C)(C)CCC#N)c(C)o1 346822915 JRFDBTYCLILMRZ-UHFFFAOYSA-N 249.358 2.754 30 20 BFED N#C[C@@H]1CC[C@H](N[C@H]2CCc3ccccc32)C1 348183496 CKLQMEVMWVJRDS-ZLDLUXBVSA-N 226.323 2.956 30 20 BFED C=CCOCCCN1CCCC(C)(C)[C@H]1C#N 348185503 ZARBDUHXGZYTDA-CYBMUJFWSA-N 236.359 2.593 30 20 BFED Cc1cc(-c2noc(CCCC#N)n2)ccc1O 350580944 LOSQXECFOVVREY-UHFFFAOYSA-N 243.266 2.597 30 20 BFED C=CCN(C(=O)Cc1ccc(CC)cc1)C1CC1 357499562 ZTCMWUPWHGPOGP-UHFFFAOYSA-N 243.350 2.969 30 20 BFED C=CCN(C(=O)[C@@H]1CC12CCCC2)C1CC1 357516216 YNYIICRBUKWFTF-LBPRGKRZSA-N 219.328 2.744 30 20 BFED C=CCS[C@H]1CCCN(CC(C)(C)C)C1=O 359108832 ZTXXNAUQXHPKGW-NSHDSACASA-N 241.400 2.943 30 20 BFED C=C[C@@H](C)NC(=O)[C@@H](C)Cc1ccccc1F 362586401 HGIQNLGKXLKTID-WDEREUQCSA-N 235.302 2.695 30 20 BFED C=C[C@@H](C)NC(=O)c1sc(CCC)nc1C 362587273 KRIIFBNDBSSECS-MRVPVSSYSA-N 238.356 2.708 30 20 BFED C=CCCCN1[C@H]2CC[C@H]1CN(CC)CC2 365919106 AVPRYLYDNNBUEI-KBPBESRZSA-N 222.376 2.511 30 20 BFED C=CC[C@H](CO)CN[C@@H](CC)C[C@@H](C)CC 379466780 YBDYNPKKQZNDRH-IHRRRGAJSA-N 227.392 2.975 30 20 BFED C[C@@H]1CC[C@@H]1Nc1ccc(CC#N)cc1 380041178 UKSCGFJBPDDEEC-MFKMUULPSA-N 200.285 2.963 30 20 BFED C[C@@H](C#N)N(C)C(=O)c1ccc2sccc2c1 386658401 SCIHODQBVMEQRQ-VIFPVBQESA-N 244.319 2.885 30 20 BFED C[C@@H](C#N)CNCc1ccc2occc2c1 390223588 AFTBVHYWOQKZCR-JTQLQIEISA-N 214.268 2.682 30 20 BFED C[C@H](CC#N)NCC1CCC(F)(F)CC1 393761905 NRCTXYDDDHZYFB-SECBINFHSA-N 216.275 2.704 30 20 BFED C=CCCOCCN[C@H](CC)[C@H]1CC1(C)C 397664013 XOHMEYRJQUSLNZ-CHWSQXEVSA-N 225.376 2.993 30 20 BFED C=C(Cl)CNC(=O)CC(C1CC1)C1CC1 400885449 ZFERQSMZONEIQA-UHFFFAOYSA-N 227.735 2.681 30 20 BFED N#CCN(CC1=CCCC1)C1CCCC1 401039929 QBOATBASAQOXOW-UHFFFAOYSA-N 204.317 2.865 30 20 BFED C=CCC(C)(C)C(=O)N[C@H]1CS[C@H](C)C1 412596441 NSTRVURJMWLWKQ-NXEZZACHSA-N 227.373 2.599 30 20 BFED CC[C@H](NCC1(CC#N)CC1)[C@H]1C[C@H]1C 414157193 VVVKFSGXPHKFBU-WOPDTQHZSA-N 206.333 2.704 30 20 BFED Cc1ncc([C@H](C)NCC(C)(C)CC#N)c(C)n1 414167478 PHDPYLFDMAMTFZ-JTQLQIEISA-N 246.358 2.684 30 20 BFED C=C[C@@H]1CCCCN1Cc1cnc(CC)nc1 414446132 OABZAQHSCLAYCE-CYBMUJFWSA-N 231.343 2.580 30 20 BFED C=C[C@@H]1CCCCN1C(=O)[C@@H](CC(C)C)OC 415539808 MVZRQYCTZJCENG-CHWSQXEVSA-N 239.359 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BFED C=C(C)CCC(=O)Nc1cnn(CCC)c1 1337162397 HHMLJDVUNDJTSW-UHFFFAOYSA-N 221.304 2.588 30 20 BFED C=C(C)CCC(=O)N(OC)C1CCCC1 1337171333 OOVQIXDLAKXQEE-UHFFFAOYSA-N 211.305 2.675 30 20 BFED CC(C)(C)[C@@H]1CCN1C(=O)c1sccc1C#N 1337659706 YROFYGFIIPLCGZ-JTQLQIEISA-N 248.351 2.880 30 20 BFED C=CCN(Cc1cccs1)C(=O)[C@@H]1C[C@@H]1F 1337800363 YFSFMMBMXRPUME-MNOVXSKESA-N 239.315 2.621 30 20 BFED CC[C@H](C#N)N(CC)C(=O)Cc1ccc(C)cc1 1339198334 WHJRQMFSVCOTSG-CQSZACIVSA-N 244.338 2.688 30 20 BFED C=CC(C)(C)CCOC(=O)Cc1cc(C)on1 1345325675 RXTMDHDYHJYVHR-UHFFFAOYSA-N 237.299 2.671 30 20 BFED C=C(CC)C(=O)Nc1ccc2c(c1)C[C@H](OC)C2 1348223066 NMSLCZOTOLSUTL-CQSZACIVSA-N 245.322 2.705 30 20 BFED C=C=CCNc1nc(C)c(C#N)cc1Cl 1458404536 WQTNWMFNCDNSKU-UHFFFAOYSA-N 219.675 2.668 30 20 BFED C=C(CC)C(=O)Nc1ccccc1O[C@@H](C)C#N 1528094647 MCBNQUGKFCOCDP-NSHDSACASA-N 244.294 2.882 30 20 BFED O=C(O)c1cc(NN=C2C[C@@H]3C[C@H]3C2)ccc1F 1776064589 VUVKDMXQOSRQPG-YUMQZZPRSA-N 248.257 2.722 30 20 BFED 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C#CCN(C(=O)NC1CCCC1)C1CCCCC1 65984938 YDNZDRDEKRWIIN-UHFFFAOYSA-N 248.370 2.907 30 20 BFED C=CCCCOc1cc(C=O)ccc1[N+](=O)[O-] 71275616 KLHOYZXGKWHNDZ-UHFFFAOYSA-N 235.239 2.752 30 20 BFED N#CCCN(Cc1ccco1)CC(F)(F)F 78492411 DLSYFUPWPOROGZ-UHFFFAOYSA-N 232.205 2.558 30 20 BFED C=C(C)CN(CC)C(=O)NCCc1ccccc1 79032279 LHJVJBNOJQIZFN-UHFFFAOYSA-N 246.354 2.837 30 20 BFED C=CCNC(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 80599549 MUCGVKMAOMLRFN-ZDUSSCGKSA-N 246.354 2.720 30 20 BFED CC(C)(C#N)CC[S@](=O)c1cccs1 83643486 YPRRAZDMMHFPEG-CQSZACIVSA-N 227.354 2.796 30 20 BFED C[C@@H](NCc1cc(C#N)cs1)c1ccccn1 93492053 OUBGZCNQQLKSSY-SNVBAGLBSA-N 243.335 2.866 30 20 BFED CCCCCCCCOC(=O)/C=C\C(=O)O 100012824 VTWGIDKXXZRLGH-HJWRWDBZSA-N 228.288 2.531 30 20 BFED in-vitro C#CCOc1cccc(NC(=O)N(C)CCC)c1 108519933 LCLUXVBVCQBLQG-UHFFFAOYSA-N 246.310 2.572 30 20 BFED CCCCCCCCC(=O)NCC[C@H](C)N 114576666 KTLCODCPLDYGDU-LBPRGKRZSA-N 228.380 2.591 30 20 BFED N#CC1(NC(=O)CCCC2CCCCC2)CC1 115151600 AYQLKAVGGXYQSM-UHFFFAOYSA-N 234.343 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CC[C@H](C#N)C(=O)NC[C@H](CC)c1ccccc1 593393291 UJYZBCOXDUTZDQ-OLZOCXBDSA-N 244.338 2.846 30 20 BFED CC(C)(C)OCCCNCc1cccc(C#N)c1 594974015 JAGTWYMQCHKWBZ-UHFFFAOYSA-N 246.354 2.853 30 20 BFED N#CCCCNC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 597490935 AQHKOUCQBWOAEL-ITGUQSILSA-N 234.343 2.623 30 20 BFED N#Cc1cc([N+](=O)[O-])ccc1NCC1CC=CC1 599125712 ALYWIGCWXGWDLP-UHFFFAOYSA-N 243.266 2.845 30 20 BFED C=CCC1(NCCOCCC#N)CCCCC1 599609481 IPGXGRRRJFMBIS-UHFFFAOYSA-N 236.359 2.785 30 20 BFED C[C@H](CCC#N)CNCc1ccc([N+](=O)[O-])cc1 602585914 KWRYAEWYYQCPPK-LLVKDONJSA-N 247.298 2.624 30 20 BFED CC1(C)CN(Cc2cccc(C#N)n2)[C@H]1C1CC1 602668285 UHYWAOLPPXECAB-AWEZNQCLSA-N 241.338 2.574 30 20 BFED C[C@H]1CN(CC2(CC#N)CC2)CCC1(F)F 602833367 PGTYANSRTFBHRH-JTQLQIEISA-N 228.286 2.657 30 20 BFED C[C@@]1(C#N)CCCN(Cc2cccc(O)c2)C1 612405988 FZBXTTVCKTXWMM-AWEZNQCLSA-N 230.311 2.518 30 20 BFED Cc1ccccc1[C@@H](C)N1CC[C@](F)(C#N)C1 615638098 FOZSWSDCJHWPCB-OCCSQVGLSA-N 232.302 2.994 30 20 BFED C=CCCNC(=O)Cc1cc(C)cc(C)c1 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C=C(CC)COC(=O)[C@@H](C)OCCC(C)C 773500878 MVEIYIPMWGBJMK-GFCCVEGCSA-N 228.332 2.947 30 20 BFED C=C(CC)COC(=O)c1cc(C(C)C)no1 773517334 YSHBCOWFAJFZSU-UHFFFAOYSA-N 223.272 2.921 30 20 BFED Cc1ccc(F)c(C=NOC2CCOCC2)c1 774435271 URWSGRUCWNZDJB-UHFFFAOYSA-N 237.274 2.664 30 20 BFED Cc1cccc([C@@H](C)C(=O)OCC2(C#N)CC2)c1 775858012 HOHQQGDBGTVIFK-GFCCVEGCSA-N 243.306 2.946 30 20 BFED c1cc2n(c1)CCC2=NOC1CCCCC1 777458935 LOUUGQXVXNTNAR-UHFFFAOYSA-N 218.300 2.945 30 20 BFED C=C(C)CN(C)Cn1sc2ccccc2c1=O 777965485 WVGIQAVFUBQKMR-UHFFFAOYSA-N 248.351 2.528 30 20 BFED C=CCOCC(=O)O[C@@H]1CCC[C@@H](C)[C@@H]1C 779275273 OGXAUQDGYRCKJD-GRYCIOLGSA-N 226.316 2.557 30 20 BFED C#CCCCCCC(=O)OC/C=C/Cl 780258211 IOTDZBRTWQSIDA-VQHVLOKHSA-N 214.692 2.866 30 20 BFED C[C@H]1CC[C@@H]1Nc1ccc(F)cc1OCC#N 783659151 FJSJBCADGLBKBG-ONGXEEELSA-N 234.274 2.938 30 20 BFED C=CCCCCCOC(=O)[C@H](OC)C(C)C 784782551 KSBYROQLKUKGBU-GFCCVEGCSA-N 228.332 2.947 30 20 BFED CC(C)(C#N)CCCOC(=O)CC(C)(C)C#N 785086572 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30 20 BFED Clc1ccc(NN=C2CC[C@@H]2C2CC2)nn1 814697894 HPTNFXJYPDCITL-MRVPVSSYSA-N 236.706 2.718 30 20 BFED C#CCOCSc1ccnc2ccccc12 814748969 UOJRSLRRPPOPKY-UHFFFAOYSA-N 229.304 2.934 30 20 BFED COc1ccnc(NN=CCC2CCCCC2)n1 814799093 UOPSKMQMLOBFTC-UHFFFAOYSA-N 248.330 2.853 30 20 BFED C[C@H]1CCC(=NNC[C@H]2CCSC2)C1 814935986 UQUCXNRGCOFOSX-VHSXEESVSA-N 212.362 2.505 30 20 BFED CCCCc1ccc(C(C)=NNC[C@H](C)O)cc1 814963404 KBDBQAVYQHWCBY-LBPRGKRZSA-N 248.370 2.724 30 20 BFED CC(C)CON=C1CCc2cccnc2CC1 817325411 BHUHJJIUJIKVRJ-UHFFFAOYSA-N 232.327 2.989 30 20 BFED C#CCCCC(=O)OC[C@@H](C)C1CCC1 817755959 SZMJPDFQJHSOEH-LLVKDONJSA-N 208.301 2.769 30 20 BFED CCC[C@@H](CC)C(=O)N[C@@]1(C#N)CC1(C)C 823040812 SEEXBHPWIQQGFL-ZWNOBZJWSA-N 222.332 2.621 30 20 BFED C[C@@H]1CCCC[C@@H]1NC(=O)C#Cc1cccs1 823608194 DWIPQJMTRKSIBQ-YPMHNXCESA-N 247.363 2.795 30 20 BFED C#Cc1ccc(CNC[C@H](OC)[C@H](C)CC)cc1 824597008 NMRFNACENYZFMY-CJNGLKHVSA-N 245.366 2.819 30 20 BFED CCCC(CC)=NN[C@@H]1CCOC1(C)C 835017546 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2.501 30 20 BFED C#CC1CCN(C(=O)C[C@H](CC)C(C)C)CC1 843706783 GHNAAFODQVATFE-AWEZNQCLSA-N 235.371 2.931 30 20 BFED C#CCN(CC#N)C(=O)CCC1CCCCCC1 847019685 WHIBIAPWENEXIS-UHFFFAOYSA-N 246.354 2.722 30 20 BFED C#Cc1cncc(C(=O)N(CC)[C@@H](C)C(C)C)c1 848100936 UZOITTHDHAAZAE-LBPRGKRZSA-N 244.338 2.570 30 20 BFED C=C[C@](C)(CC)C(=O)N1Cc2ccncc2C1 848381505 JRBIREAYGXFUHS-CQSZACIVSA-N 230.311 2.526 30 20 BFED CC1=CC(=NNc2ccc(CC(=O)O)cc2)CC1 848415607 OTUTYVAAPIMQPZ-UHFFFAOYSA-N 244.294 2.822 30 20 BFED C=CC[C@@H]1CCCN(C(=O)N[C@@H]2C=CCC2)C1 852505229 SHJGVOXWSCDYNI-CHWSQXEVSA-N 234.343 2.703 30 20 BFED C#C[C@@](C)(CC)NC(=O)c1cnc(C2CC2)s1 854696704 KPSUJWMITXABAO-ZDUSSCGKSA-N 248.351 2.552 30 20 BFED CC/C(C)=C(/C)C(=O)N1CCC[C@H](CC#N)C1 855257279 YZNBGCRNGYKEEL-YLGBQOPLSA-N 234.343 2.885 30 20 BFED CCCc1ccc(C=NNc2cccnn2)s1 857208396 YGQCHISSGPTIPA-UHFFFAOYSA-N 246.339 2.937 30 20 BFED C#CCCOC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C 858982853 QFINSTGXLCSXHQ-QJPTWQEYSA-N 223.316 2.561 30 20 BFED C#CCC1(OC(=O)[C@H](CCC)OCC)CCC1 860715813 DODUCWBTPHVQMO-LBPRGKRZSA-N 238.327 2.681 30 20 BFED CCC[C@@H](OCC)C(=O)OC1(CC#N)CCC1 860744324 BYXZHXZNPBNSCY-LLVKDONJSA-N 239.315 2.571 30 20 BFED CCCCCCCNC(=O)c1cc(C#N)c[nH]1 862358934 ZPVUCAIAVJXFNI-UHFFFAOYSA-N 233.315 2.587 30 20 BFED C=CC[C@H](CO)CN[C@@H](c1ccccn1)C(C)C 866314729 OGFMLCXTBBFDER-DZGCQCFKSA-N 248.370 2.553 30 20 BFED C=C[C@@H]1CCCCN1C(=O)c1ccc(C=O)s1 867880788 ZCJFIBYQLPIFQT-SNVBAGLBSA-N 249.335 2.741 30 20 BFED C#CCc1c(C)nn(-c2ccc(OC)cc2)c1C 871946438 CRPZSWLXPGUPCC-UHFFFAOYSA-N 240.306 2.673 30 20 BFED CCO[C@H]1CCC[C@H](OC(=O)CCCC#N)C1 873598041 ZYMDTXBPOVUKCG-RYUDHWBXSA-N 239.315 2.571 30 20 BFED CSC(C)(C)CCNCC1(C#N)CCC1 877593495 BBTRUZMGFUCXFQ-UHFFFAOYSA-N 226.389 2.802 30 20 BFED C[C@@H]1COCC1=NNc1c(F)cccc1Cl 884450859 VMGWYFGVAZUVTR-SSDOTTSWSA-N 242.681 2.913 30 20 BFED CCCCCC(=O)N(CC#N)c1ccccn1 892467783 JQUPUBATRJMYOG-UHFFFAOYSA-N 231.299 2.518 30 20 BFED CCC#CCOC(=O)c1ccc(CF)cc1 893844059 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225.242 2.719 30 20 BFED CC[C@H](C#N)N(CC)C(=O)CC(C)(C)C 1337581893 ZPQIRIXNEWASJH-SNVBAGLBSA-N 210.321 2.573 30 20 BFED COCC#CC(=O)Nc1ccccc1C(C)(C)C 1350836901 AEYCRRFFYUHOOA-UHFFFAOYSA-N 245.322 2.572 30 20 BFED CC[C@@H]1CCC[C@@H](CNc2n[nH]cc2C#N)C1 1461491211 HJKDBPCUMVMKKJ-GHMZBOCLSA-N 232.331 2.910 30 20 BFED C=C(C)CN(C)C(=O)c1nc(C2CC2)cs1 1521722021 NLOACYLYJXHBBR-UHFFFAOYSA-N 236.340 2.669 30 20 BFED C#CCC[C@@H](C)OC(=O)c1cc(C)nc(C)c1 1525859068 NKTYDPRJUFBVEF-GFCCVEGCSA-N 231.295 2.657 30 20 BFED C=C(C)CCOc1ccc(C(=O)O)cc1C=O 1588561478 DZLMSJVJVXTNSW-UHFFFAOYSA-N 234.251 2.542 30 20 BFED C=CC[C@H](Nc1ccc(OCC)cc1)C(=O)O 1602845584 RGTNOPVBHUCILT-LBPRGKRZSA-N 235.283 2.527 30 20 BFED N#CCCSC[C@H]1CCCC[C@@H]1C(=O)O 1608184735 VIBZGIPMNIYOTB-ZJUUUORDSA-N 227.329 2.524 30 20 BFED C=C(C)COc1cccc(N[C@@H](CC)C(=O)O)c1 1609257957 UTNFYUPOQFYWLK-ZDUSSCGKSA-N 249.310 2.917 30 20 BFED CCCCCCCNC(=O)C(F)(F)C(F)F 3163022 QYMNLYQNYKOQSI-UHFFFAOYSA-N 243.244 2.973 30 20 BFED CC[C@H](CC#N)NCc1cccc(COC)c1 38010824 JBUKREKKGVQHEC-CQSZACIVSA-N 232.327 2.615 30 20 BFED C[C@@H]1CCC[C@H](N(C)c2ncccc2C#N)C1 42240362 JLMQMEMTPFNFCB-YPMHNXCESA-N 229.327 2.968 30 20 BFED CCO[C@@H]1CCCN(c2ccc(C#N)cc2C)C1 42425040 AFNAJWYAWCSELJ-CQSZACIVSA-N 244.338 2.872 30 20 BFED CN(Cc1ccc(C#N)cc1)C(=O)CC(C)(C)C 45250352 NPVQBUHMUUCNTF-UHFFFAOYSA-N 244.338 2.953 30 20 BFED C=CCNC(=O)Nc1ccc(C)cc1OCC 47763880 HLOIUZGSIOWHHV-UHFFFAOYSA-N 234.299 2.701 30 20 BFED C[C@@H](c1ccccc1F)N(C)CCC#N 51407426 ZZFRYTFTTFKWNN-JTQLQIEISA-N 206.264 2.732 30 20 BFED CC[C@@H](CC#N)NCCc1cccc(C)c1 51669919 SKIPWEUCZPNEOU-AWEZNQCLSA-N 216.328 2.819 30 20 BFED Cc1ccc(/C=C/C(=O)NC2(C#N)CCCC2)o1 60852586 WYEYDEIKJLBBTR-VOTSOKGWSA-N 244.294 2.554 30 20 BFED C#CCN(CCOC(C)C)Cc1ccc(F)cc1 65958339 KPYYJDCLGPHBLN-UHFFFAOYSA-N 249.329 2.686 30 20 BFED N#Cc1ccc(OC(=O)C2(C#N)CCCC2)cc1 66696411 KUGYIFXSDFYQBH-UHFFFAOYSA-N 240.262 2.548 30 20 BFED CCCCCCNC(=O)Cc1ccc(C#N)cc1 70199134 MMUJMJBMZWGKLX-UHFFFAOYSA-N 244.338 2.797 30 20 BFED Cn1ccnc1CNc1ccc(Cl)cc1C#N 71274321 NTTQYBPQEFMUFH-UHFFFAOYSA-N 246.701 2.557 30 20 BFED C=CCCCOc1ccc([N+](=O)[O-])cc1C=O 71275595 QCYSXHICOFTXEV-UHFFFAOYSA-N 235.239 2.752 30 20 BFED CCCCCCCCN(CCO)C1CC1 88204633 LPABILYLMQTRIP-UHFFFAOYSA-N 213.365 2.804 30 20 BFED CN(Cc1cccc(F)c1)CC1(CC#N)CC1 88259264 DVPULHMBKVDTHY-UHFFFAOYSA-N 232.302 2.951 30 20 BFED C[C@@H]1CC[C@@H](C)N1Cc1cc(C#N)cs1 91937910 AXRCEUDRFPGNGD-NXEZZACHSA-N 220.341 2.993 30 20 BFED Cc1ccccc1C(C)(C)C/N=C(\N)NC(C)C 104182064 CLSKEMLLPFQTMB-UHFFFAOYSA-N 247.386 2.585 30 20 BFED Cc1ccccc1C[S@@](=O)CCCCC#N 107999445 LKHVLRBZCLTKBT-MRXNPFEDSA-N 235.352 2.938 30 20 BFED C=CCN(Cc1ccccc1)Cc1ncc[nH]1 109829324 XDFKHJNXSIBKOJ-UHFFFAOYSA-N 227.311 2.598 30 20 BFED C=CCS[C@H]1CCN(c2ccccc2)C1=O 114756925 JSOQEOGNSVHJHP-LBPRGKRZSA-N 233.336 2.711 30 20 BFED C[C@H]1CC[C@H](CC(=O)Nc2ccc(C#N)cn2)C1 119877005 KSPUKJYQUXMCPR-QWRGUYRKSA-N 243.310 2.718 30 20 BFED C=CCN(C)[C@H](C)C(=O)Nc1ccc(CC)cc1 121307427 KTLDQEYIFLKEFA-GFCCVEGCSA-N 246.354 2.694 30 20 BFED CC[C@@H](C#N)OC(=O)CCO[C@@H](C)CC(C)C 122160255 AFQMVFRBIBPBOB-RYUDHWBXSA-N 241.331 2.673 30 20 BFED C=CCOCCCC(=O)N[C@@H](C)CC(C)C 122247343 SZAPBSOUFZFKOB-LBPRGKRZSA-N 227.348 2.520 30 20 BFED CC[C@H](C)CS[C@H](C)C(=O)N(C)CCC#N 123869412 XIRQCVSCUQJVTJ-WDEREUQCSA-N 242.388 2.526 30 20 BFED CC[C@H](CSC)N(C)CCC(C)(C)C#N 124877499 ITYHBLDYRRVHFY-LLVKDONJSA-N 228.405 3.000 30 20 BFED Cc1ccc(C(C)(C)CC(=O)N[C@H](C)C#N)cc1 125835892 WIUTXSWAYCQIJD-GFCCVEGCSA-N 244.338 2.691 30 20 BFED C=CCC[C@H](O)CN(CCC#N)CC(C)(C)C 128615022 TZBPUZWWRZJNSV-ZDUSSCGKSA-N 238.375 2.575 30 20 BFED CC1(C)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 132101733 ZUIQYFXVAPYWPD-NSHDSACASA-N 231.255 2.677 30 20 BFED C=CCC[C@@H](NC(C)=O)c1ccccc1 134041644 VEGOCOBFGRSYOJ-CYBMUJFWSA-N 203.285 2.830 30 20 BFED C=C(Cl)CN1CCc2ccc(F)cc2C1 134046105 FNGNKKULUFGNFY-UHFFFAOYSA-N 225.694 2.936 30 20 BFED CCCCNc1ccc([N+](=O)[O-])c(C#N)c1 147665089 MYPMFYUROYVHJK-UHFFFAOYSA-N 219.244 2.678 30 20 BFED Cc1ccccc1CCNc1ccc(C#N)nc1 149333154 MMKWKVPYVYTAJS-UHFFFAOYSA-N 237.306 2.916 30 20 BFED C=C(Cl)CN1CCC[C@H](N2CCCC2)CC1 151147009 MMOPNBIVDHUFAK-ZDUSSCGKSA-N 242.794 2.689 30 20 BFED C=C[C@@H](C)NC(=O)c1cccc(-n2cccc2)c1 153943172 WDJPSGBALDVOHH-GFCCVEGCSA-N 240.306 2.782 30 20 BFED C=CCN(C)C(=O)c1cc2c(F)cccc2[nH]1 154170580 ALANWUWDGRUHEA-UHFFFAOYSA-N 232.258 2.565 30 20 BFED CC#CCCN1CCc2sccc2C1 155060674 HTRQFTUPLPINBL-UHFFFAOYSA-N 205.326 2.520 30 20 BFED C=C(C)CNC(=O)NC[C@@H]1CCC[C@H](C)C1 156660047 RJPAVZCBAFDDBT-NWDGAFQWSA-N 224.348 2.688 30 20 BFED C=CCN(C)C(=O)c1ccc(C(F)(F)F)cc1 161334707 DSPWTANNSNMVQI-UHFFFAOYSA-N 243.228 2.963 30 20 BFED C=C[C@@H](C)NCc1cncc(Br)c1 166505293 SOPSZYWOVJMWLQ-MRVPVSSYSA-N 241.132 2.508 30 20 BFED C#CCCOC(=O)CCC(=O)c1ccc(C)cc1 170719179 OIDISTDUCJCOGE-UHFFFAOYSA-N 244.290 2.524 30 20 BFED C=CCCC(=O)N(C)Cc1ccc(C)cc1 171421496 LIBZHWMHZYUMCV-UHFFFAOYSA-N 217.312 2.920 30 20 BFED CCC(CC)[C@H](O)CNCC(C)(C)CCC#N 174380359 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CO[C@H](C)[C@H](C)N[C@H](C)c1cccc(C#N)c1 191708265 YEIRTMGIXODUIA-QJPTWQEYSA-N 232.327 2.632 30 20 BFED C=C(C)CN(CC)C(=O)c1coc(C2CCC2)n1 193940207 BRBANAKXAWUVEX-UHFFFAOYSA-N 248.326 2.980 30 20 BFED C#C[C@H](CC)Nc1nc2ccccc2o1 219107863 XDLCCHICLJMYBS-SECBINFHSA-N 200.241 2.652 30 20 BFED Cn1cncc1COc1ccc(C#N)c(Cl)c1 220995350 OAAQZXCCDULKFX-UHFFFAOYSA-N 247.685 2.524 30 20 BFED Cc1cnc(CN[C@H](C)c2cccc(C#N)c2)o1 223731769 BEINOAUKPGUFRD-LLVKDONJSA-N 241.294 2.706 30 20 BFED C[C@H]1CCC[C@H]1CNc1cccc(C#N)n1 230683519 XGLYHTKNURVMQT-QWRGUYRKSA-N 215.300 2.801 30 20 BFED CC(C)C1CCN(c2ncccc2C#N)CC1 230914595 PGSSPJYBORCLLR-UHFFFAOYSA-N 229.327 2.826 30 20 BFED C#CCOc1ccc(F)cc1NCC(C)C 236585254 VAFVPIYAVVSPNA-UHFFFAOYSA-N 221.275 2.906 30 20 BFED CCC(C=NNc1ccc([N+](=O)[O-])cn1)CC 263592454 ADDXFCCKFSVDLB-UHFFFAOYSA-N 236.275 2.824 30 20 BFED Cc1ccccc1[C@@H]1CCN(CCC#N)C1 263652184 BXGMGIFGPMIOLO-CYBMUJFWSA-N 214.312 2.698 30 20 BFED C=CCCSCC(=O)N(C)Cc1ccccc1 265750398 HMDUNWBNLPZLHI-UHFFFAOYSA-N 249.379 2.954 30 20 BFED CC#CCN(C)Cc1cccc(OC(F)F)c1 265977572 CKSHWJJJKCWHLZ-UHFFFAOYSA-N 239.265 2.743 30 20 BFED C=CCNc1cccc([C@@H](C)N2CCOCC2)c1 268076472 MVJBYRHEUPGLFX-CYBMUJFWSA-N 246.354 2.678 30 20 BFED C#CCCCN(C)[C@@H](CC)c1ccncc1 271344294 GQIGJGXPIYTDKJ-AWEZNQCLSA-N 216.328 2.878 30 20 BFED N#Cc1cc(C(=O)NCCC2CCCCC2)c[nH]1 271994729 MOTOAXUFTZPDRR-UHFFFAOYSA-N 245.326 2.587 30 20 BFED CSc1ccccc1CN(C)CCC#N 272615866 APOKVCHTBZXCRP-UHFFFAOYSA-N 220.341 2.754 30 20 BFED CC[C@H](CC#N)Nc1cc(Cl)nc(C)n1 273838894 HKJNVNVFWZMFKE-MRVPVSSYSA-N 224.695 2.543 30 20 BFED CC(C)(C)[C@@](C)(C#N)NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 274364843 VAMGNHBJBHQXKD-UUIJZJDISA-N 246.354 2.643 30 20 BFED C=CCCCCNC(=O)/C=C(\C)C1CC1 274479556 OIJWKGBOBFVIHB-ZHACJKMWSA-N 207.317 2.815 30 20 BFED C=CCCN(C)C(=O)CC1=CCCCC1 276335289 FHJTUDZRAFLFNH-UHFFFAOYSA-N 207.317 2.911 30 20 BFED N#CCCCN[C@@H](c1cccnc1)C1CCC1 280897577 PMPPEJMJXQHAFF-CQSZACIVSA-N 229.327 2.816 30 20 BFED C=CCN(CC=C)C(=O)NCCCSCC 282100375 CBSISPLYOPDUIN-UHFFFAOYSA-N 242.388 2.513 30 20 BFED COc1cc(CN2CC[C@@H](C)[C@@H]2C)ccc1C#N 282187854 GBNMYXSHSZQIEQ-NEPJUHHUSA-N 244.338 2.797 30 20 BFED C=CCSCCNC(=O)[C@H](C)CCCC 283615631 UUGYOSDEMACFAL-LLVKDONJSA-N 229.389 2.848 30 20 BFED CC#CC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 283790618 OZXKGJAUOLOSLQ-GXTWGEPZSA-N 245.297 2.601 30 20 BFED CCc1ccc2occ(C(=O)N(C)CC#N)c2c1 285980008 MAVUKVQFWIMJFC-UHFFFAOYSA-N 242.278 2.591 30 20 BFED N#Cc1ccncc1NC[C@H]1CCCSC1 288641397 XLSMMVILFRUEAC-SNVBAGLBSA-N 233.340 2.508 30 20 BFED C#CCCCc1nc(-c2ccncc2CC)no1 289132856 RSEFPXJAZQPJFI-UHFFFAOYSA-N 241.294 2.650 30 20 BFED C=CCn1c(C2CC2)nnc1N(C)[C@@H](C)CCC 289734214 QCPORDSHPOPTNX-NSHDSACASA-N 248.374 2.966 30 20 BFED C=CCCc1nc(CC2CCCC2)no1 293447383 XJZFTOIRQIKHCQ-UHFFFAOYSA-N 206.289 2.921 30 20 BFED C#CCCCCNC[C@H]1C[C@H]2CC[C@H]1C2 300395692 FFLYNCSBBRDRAQ-MELADBBJSA-N 205.345 2.816 30 20 BFED C#C[C@H](Nc1ncnc2ccccc12)C(C)C 302310922 IJOICFVOPBRVCI-LBPRGKRZSA-N 225.295 2.700 30 20 BFED C=C(Br)CNC(=O)C=C1CCCC1 306514068 TZRCEJNAJNGKBX-UHFFFAOYSA-N 244.132 2.512 30 20 BFED C=CCSCC(=O)c1cc(C)n(C)c1C 308828102 RYAMEGCIUABGCI-UHFFFAOYSA-N 223.341 2.744 30 20 BFED N#CCCCCNc1nccc(C#N)c1Cl 309645864 QIUSSXSKHHFMSV-UHFFFAOYSA-N 234.690 2.712 30 20 BFED CC[C@H](CC#N)NCc1cnc(Cl)c(C)c1 309859950 MBECWRYIZMYDAA-LLVKDONJSA-N 237.734 2.825 30 20 BFED C=CCC[C@H](CO)N[C@@H]1CC[C@@H](C)C[C@H]1C 320713701 HKSLJRMWIZASSY-AAVRWANBSA-N 225.376 2.728 30 20 BFED Cc1ccncc1N=C(O)[C@@H]1CCC(=O)[C@H](C)C1 329044089 UHQSCJDUDUKSFC-GHMZBOCLSA-N 246.310 2.983 30 20 BFED C[C@H](C#N)CN(C)[C@H](C)c1ccc(C#N)cc1 330805278 HEKQAAZHTJFYLY-VXGBXAGGSA-N 227.311 2.711 30 20 BFED CCC[C@H]1CCC[C@H]1C(=O)NC1(C#N)CCC1 331837828 ZAOWRZNVMOLVLY-NWDGAFQWSA-N 234.343 2.765 30 20 BFED CC[C@@H](CC(F)(F)F)NC(=O)C1(C#N)CCC1 332003566 GDMTVVUVAWCMOP-QMMMGPOBSA-N 248.248 2.527 30 20 BFED Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCC[C@H](C)C1 334705779 KEXLLRHIAXSEPC-ONGXEEELSA-N 245.326 2.503 30 20 BFED C[C@H](C(=O)N1CCC(CC#N)CC1)C1CCC1 334768418 KHIGWOUEPJNTER-NSHDSACASA-N 234.343 2.575 30 20 BFED C=C[C@@H]1CCCCN1C(=O)NC[C@H]1CC12CC2 335160919 XEYHRGWHVDHJAE-VXGBXAGGSA-N 234.343 2.537 30 20 BFED N#Cc1ncccc1OC[C@@H]1CCCC1(F)F 336265799 VAGJEOVRXNRTSD-VIFPVBQESA-N 238.237 2.767 30 20 BFED C=C[C@@H](C)NC(=O)[C@H]1SCCc2ccccc21 336409510 ADNXIHPFOZROSI-MFKMUULPSA-N 247.363 2.708 30 20 BFED N#CCCNC(=O)Nc1ccc(Cl)cc1F 336622360 YDCJRCUEGJTUQQ-UHFFFAOYSA-N 241.653 2.514 30 20 BFED C=CCCN[C@H](CC)c1c(C)noc1C 336656888 AOJVITTYHXXUBW-LLVKDONJSA-N 208.305 2.908 30 20 BFED CC[C@@H]1CCCN1CCCSCC#N 336671433 KCVGXTWFILPLMJ-LLVKDONJSA-N 212.362 2.508 30 20 BFED Cc1nsc(NCc2ccc(O)cc2)c1C#N 341423330 VJNWDITZHZZPPT-UHFFFAOYSA-N 245.307 2.641 30 20 BFED C=CC[C@@H](CC)NC(=O)N[C@@H]1CCC1(C)C 346169414 UWUVDKMGHDPZKF-GHMZBOCLSA-N 224.348 2.829 30 20 BFED C=C(C)CCN[C@H]1CCC[C@H]1OC(F)F 348103013 BWEVHBJSJTVJBK-VHSXEESVSA-N 219.275 2.703 30 20 BFED N#Cc1cccnc1/C=C\c1ccn(C(F)F)n1 352020440 HHSUQTXQNBZVFX-ARJAWSKDSA-N 246.220 2.715 30 20 BFED N#Cc1cccc(CNCC2(C(F)F)CC2)c1 355143928 CCNLIDHRBLUMRE-UHFFFAOYSA-N 236.265 2.693 30 20 BFED C=CCOCCCSc1ncc(CC)[nH]1 355936267 HPFLMODBFWSNLQ-UHFFFAOYSA-N 226.345 2.657 30 20 BFED C=CCCC1(C(=O)N[C@H](C)CC=C)CC1 356115522 JYZDDZXXHSFVJB-LLVKDONJSA-N 207.317 2.814 30 20 BFED C=CCCC[C@H](C)NC(=O)c1ccc(OC)cn1 360781434 MYEHVPOZKHGTOG-NSHDSACASA-N 248.326 2.565 30 20 BFED C=CCN(C(=O)C1(OC)CCCCC1)C1CC1 361890317 TUCQYRNMRYCXGZ-UHFFFAOYSA-N 237.343 2.513 30 20 BFED CC[C@@H](CC#N)Nc1sccc1[N+](=O)[O-] 380357254 XDRHNGRZQYHQMY-ZETCQYMHSA-N 225.273 2.760 30 20 BFED CC[C@@H](F)CNc1ccc(C#N)cc1OC 381570891 XCBOCXZEKCVDKI-SNVBAGLBSA-N 222.263 2.727 30 20 BFED C=CCSCc1ccccc1C(=O)OC 389403028 JCRCAPVSKOTFAM-UHFFFAOYSA-N 222.309 2.892 30 20 BFED CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cccc(C#N)c1 397138079 ZKTPBNGAMGUHOE-ZFWWWQNUSA-N 242.322 2.723 30 20 BFED C=CCCC[C@H](C)N[C@@H]1C[C@@H](C)O[C@@H]1C 398201701 WLOUSXVUBRCVCE-UMSGYPCISA-N 211.349 2.887 30 20 BFED C=CCC(C)(C)CNC[C@@H](OC)C1CC1 400262593 UJKQOMZCAYBVQN-GFCCVEGCSA-N 211.349 2.603 30 20 BFED N#Cc1cc(F)ccc1N1CCCC(F)(F)C1 404739645 OCXNCHSJCACMLX-UHFFFAOYSA-N 240.228 2.933 30 20 BFED N#CCCCC(=O)NC12CC3CC(CC(C3)C1)C2 408232017 LFEHUHRYQXVHLF-UHFFFAOYSA-N 246.354 2.765 30 20 BFED CCC[C@@H](C#N)N(C)C(=O)c1cc(C(C)C)no1 410831279 YFOPWPZCOPLHJX-JTQLQIEISA-N 249.314 2.562 30 20 BFED Cc1cc(SCCC#N)nc(C2CC2)n1 413475008 SNODPGCLVVMAMG-UHFFFAOYSA-N 219.313 2.668 30 20 BFED CC[C@@H](C)CNc1c(C#N)cccc1C#N 420658387 YPUMNRPMDHJXPI-SNVBAGLBSA-N 213.284 2.888 30 20 BFED CC[C@H]1C[C@H](C)CN1C(=O)NCC1(CC#N)CC1 431052526 XUIGJCICGMRHOF-RYUDHWBXSA-N 249.358 2.510 30 20 BFED COc1cc(CN[C@H]2CC[C@@H](C#N)C2)ccc1C 442788185 ZQEMQNSGTDJMJU-OCCSQVGLSA-N 244.338 2.786 30 20 BFED C=CC[C@H]1N(CCOC)CCCC1(C)C 444776681 QFLLCKSTXWDGCF-GFCCVEGCSA-N 211.349 2.700 30 20 BFED C=CCSCCNC1CCC(C)(C#N)CC1 449130480 GTEJJHMLFSATFD-UHFFFAOYSA-N 238.400 2.968 30 20 BFED C=CCOc1cccc(CN[C@H](CC)[C@H](C)O)c1 449539085 HTRJVVRNLNENPR-SWLSCSKDSA-N 249.354 2.500 30 20 BFED C=CCC1(C(=O)N(C)C[C@H](C)C#N)CCCC1 449798878 WFHQFJJYJCYPRC-GFCCVEGCSA-N 234.343 2.741 30 20 BFED C=CCN(C)CCCC(=O)c1ccc(F)cc1 450761012 MMNMKLLKCOZNHY-UHFFFAOYSA-N 235.302 2.906 30 20 BFED C=CC(C)(C)CNC(=O)Cc1cccc(F)c1 452777460 NJTRUWDRVAVTTA-UHFFFAOYSA-N 235.302 2.697 30 20 BFED C=CC(C)(C)CNC(=O)C12CCC(CC1)C2 452778499 XYLYSHBHJOOJBE-UHFFFAOYSA-N 221.344 2.895 30 20 BFED CC#CCCCC(=O)N[C@@H]1CCC[C@@H]1CC 466438345 LLTXAMMMUDNDQQ-QWHCGFSZSA-N 221.344 2.875 30 20 BFED CC#CCCNCc1ccc(OCC2CC2)cc1 483310873 XDEZUFSGFCVHDX-UHFFFAOYSA-N 243.350 2.978 30 20 BFED C=C(C)CN(CC)C(=O)NC[C@@H]1CC1(C)C 491230927 ZHKSTUMEPRWRQU-NSHDSACASA-N 224.348 2.640 30 20 BFED C#C[C@H](C)N(C)Cc1ccc2ncccc2c1 491254086 QTWWILDGPYCKSB-LBPRGKRZSA-N 224.307 2.688 30 20 BFED C#C[C@@H](CCC)NC(=O)[C@H](C)c1ccsc1 491523816 HKSGYRRIRLWGRS-PWSUYJOCSA-N 235.352 2.770 30 20 BFED C=C(CC)CNC(=O)/C=C/c1scnc1C 493693196 UVWXKHFUAAKGGG-AATRIKPKSA-N 236.340 2.547 30 20 BFED C=CCCCCN1CCC[C@](C)(C(=O)O)C1 517750318 CJOHAZJQISMISL-ZDUSSCGKSA-N 225.332 2.529 30 20 BFED C=C(CC)CNC1(C(=O)OC)CCCCCC1 537999245 ZCIQNBAAMGJFDL-UHFFFAOYSA-N 239.359 2.808 30 20 BFED C=CCCC[C@H](C)NC(=O)N1CCC[C@H](F)C1 563236609 SQDULGBNXMAAHN-RYUDHWBXSA-N 242.338 2.875 30 20 BFED CC/C=C\CNC(=O)CCCCCC#N 590772839 DAPJTADIPSOTRN-BAQGIRSFSA-N 208.305 2.543 30 20 BFED CC(C)C[C@@H](C#N)NC(=O)[C@H]1CC[C@H](C)CC1 593110543 AJIBWAWJGSVBBU-AVGNSLFASA-N 236.359 2.867 30 20 BFED CC[C@@H](C#N)C(=O)N1CC(C)(C)CC(C)(C)C1 593612798 MNDVTIZOHLFJKB-NSHDSACASA-N 236.359 2.821 30 20 BFED Cc1ccc(C#N)nc1NCC(C)(C)C 596086404 YSMSYMFXFYQMHD-UHFFFAOYSA-N 203.289 2.720 30 20 BFED Cc1ccc(C#N)nc1NC[C@@H]1CC1(C)C 596122353 HSJUMGYXGOPUAR-JTQLQIEISA-N 215.300 2.720 30 20 BFED CC(C)CC1(CNc2c(C#N)cnn2C)CC1 596157552 YBCHMZKOHOLOBG-UHFFFAOYSA-N 232.331 2.530 30 20 BFED Cn1ncc(C#N)c1NC[C@@H]1CCCC(C)(C)C1 596262668 ZTFMFDACAAWPLR-LLVKDONJSA-N 246.358 2.920 30 20 BFED CC[C@H](C)CCN=c1[nH]c(C#N)c(Cl)s1 596414658 CGGVCEZEIDSHOW-ZETCQYMHSA-N 243.763 2.938 30 20 BFED C=CCCC(C)(C)NC(=O)NCC(C)(C)C#N 596549995 KVHVZJHWFAYAJG-UHFFFAOYSA-N 237.347 2.580 30 20 BFED CC(C)(F)CCNC(=O)C1(C#N)CCCCC1 598198872 MWHKGTLTZWAPCK-UHFFFAOYSA-N 240.322 2.715 30 20 BFED CC(C)Nc1ccccc1NC(=O)[C@@H](C)C#N 598233835 AVBLXJSFHCXMFD-JTQLQIEISA-N 231.299 2.605 30 20 BFED CC[C@@H](C#N)N(C)C(=O)c1ccc(C2CC2)cc1 598850137 TVBYMWNPQVUFAZ-AWEZNQCLSA-N 242.322 2.938 30 20 BFED Cc1cocc1C(=O)N(C1CC1)C1(C#N)CCC1 602316021 NYRLMWNXHYOKRS-UHFFFAOYSA-N 244.294 2.639 30 20 BFED CC(C)(C)[C@@H](C#N)NC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 602340161 KKBUBIWLVJFJAT-UUIJZJDISA-N 248.370 2.867 30 20 BFED C=C(C)CNC(=O)c1ccc(C2CC2)cc1 613664201 GDTMXBLFWBRSHK-UHFFFAOYSA-N 215.296 2.870 30 20 BFED N#CCC(=O)N1CCC[C@H]1/C=C\c1ccccc1 614016836 VYRWDBSJLBLYPU-CKXPSTMWSA-N 240.306 2.604 30 20 BFED C=CCC(C)(C)C(=O)N[C@H](CC)C1CC1 618874343 PWPHIMACPULJLY-LLVKDONJSA-N 209.333 2.894 30 20 BFED C=CCCN1C[C@H](C)C(F)(F)[C@H](C)C1 625647070 DIVPNTKAKKRLBZ-AOOOYVTPSA-N 203.276 2.786 30 20 BFED C=CCOCCN1CCCc2c(C)cccc21 645087618 IIHDNDZWJAHOQJ-UHFFFAOYSA-N 231.339 2.950 30 20 BFED C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 645790418 RMWIGZLFXQSMHM-JZRPKSSGSA-N 233.355 2.749 30 20 BFED C=CCCCC[C@H](C)N[C@@H](C)C(C)(C)O 648439916 ONCXUTKNFDJTMF-RYUDHWBXSA-N 213.365 2.870 30 20 BFED C=CCCNC(=O)N1CCC[C@H]1c1ccncc1 661572179 HTEUUHDQUAETNM-ZDUSSCGKSA-N 245.326 2.504 30 20 BFED CCCN(CC#CCOC)Cc1ccc(F)cc1 677818655 SXNWAVGJNLAWQP-UHFFFAOYSA-N 249.329 2.688 30 20 BFED N#Cc1ccc(N[C@@H]2C=CCC2)c(F)c1 698230306 JAYXJQGOELBUFZ-SNVBAGLBSA-N 202.232 2.828 30 20 BFED CCC[C@H]1CN(c2ccc(C#N)cc2C)CCO1 708910928 QNDJDJKDBSGZGF-AWEZNQCLSA-N 244.338 2.872 30 20 BFED CCC(CC)[C@@H](O)CN[C@@H](C)CC(C)(C)C#N 709975000 GYXCFSZSHGNIIW-AAEUAGOBSA-N 240.391 2.701 30 20 BFED C=C/C=C/CCN1CCC(O)(CC=C)CC1 717450505 XHZOXUHYQBYKPJ-AATRIKPKSA-N 221.344 2.522 30 20 BFED Cc1ccc(C(=O)O[C@H](C)C#N)cc1Cl 728670885 DIHSGZPVSDWBQD-MRVPVSSYSA-N 223.659 2.717 30 20 BFED COc1ccc(NC[C@H](C#N)CCC#N)cc1F 732916679 ZIPDADSSQBGADY-JTQLQIEISA-N 247.273 2.690 30 20 BFED Cc1ccc(C=NNc2nccnc2Cl)cc1 733079251 BKFRQSOSRJUAGW-UHFFFAOYSA-N 246.701 2.884 30 20 BFED Cc1ccc2[nH]c(C(=O)O[C@@H](C)C#N)cc2c1C 735160099 WQFFBLCTYREZCM-VIFPVBQESA-N 242.278 2.854 30 20 BFED CCCCC[C@@H](C)CC(=O)N(C)CC#N 742602227 VUGJRVGYEQCTEI-LLVKDONJSA-N 210.321 2.575 30 20 BFED CC(=NNc1ccc(C(=O)O)cc1)C1CCC1 747623441 CNZNVDMHBGAZQT-UHFFFAOYSA-N 232.283 2.973 30 20 BFED COCCON=C(C)CCc1ccccc1 748791551 JOLGALXMBWTDAX-UHFFFAOYSA-N 221.300 2.658 30 20 BFED COC(=O)c1ccc(C(C)=NOCC(C)C)cc1 749625578 FLXPQOMRINUIFF-UHFFFAOYSA-N 249.310 2.870 30 20 BFED CC(C[C@@H]1CCOC1)=NNCc1ccccc1 751521472 ORKOVIBNBIUGBC-AWEZNQCLSA-N 232.327 2.579 30 20 BFED C=C(C)CNC(=S)N(C)[C@H](C)C1(C)CC1 752249099 XAPWVKPOJFGMCV-SNVBAGLBSA-N 226.389 2.557 30 20 BFED CCON=C1CCc2c(F)cc(F)cc21 752723722 MXBFUJKFOVUJPJ-UHFFFAOYSA-N 211.211 2.652 30 20 BFED CC[C@H](C#N)OC(=O)[C@@H](C)Cc1ccc(F)cc1 753422854 WETPZLISFBAHCR-GXFFZTMASA-N 249.285 2.850 30 20 BFED Oc1c(F)cccc1C=NNCc1ccccc1 755566174 ZLUKTXBVZMKYNZ-UHFFFAOYSA-N 244.269 2.655 30 20 BFED CCOCC(C)=NNCc1cccc(Cl)c1 756831377 IXYJGFKLZAVKHB-UHFFFAOYSA-N 240.734 2.842 30 20 BFED C=C[C@@H](CC(=O)OCCCCO)c1ccccc1 758908305 QAUGHPGSYHNRMJ-ZDUSSCGKSA-N 248.322 2.662 30 20 BFED CCCCCCCCNC(=O)c1cn(C)cn1 759678190 DTPMVRJEDJRKQQ-UHFFFAOYSA-N 237.347 2.510 30 20 BFED C#CCCN(CCOC)Cc1ccc(C)cc1C 760822402 YQKVXWSGCVRHEF-UHFFFAOYSA-N 245.366 2.775 30 20 BFED N#Cc1csc(C=NOCC(F)(F)F)c1 764835537 KQUXABYCUKKIEV-UHFFFAOYSA-N 234.202 2.533 30 20 BFED CC#CCCCC(=O)OCCCOC(C)(C)C 767675845 OSNJISDOQLEOMM-UHFFFAOYSA-N 240.343 2.928 30 20 BFED C=C(Cl)COC(=O)[C@@H](F)c1ccccc1 769165285 RFIBCEJISFLKTH-JTQLQIEISA-N 228.650 2.993 30 20 BFED CN(C(=O)[C@H](F)c1ccccc1)C1(C#N)CCC1 769473230 UFTCROXBHJTHSF-GFCCVEGCSA-N 246.285 2.602 30 20 BFED CC1(C)CCCC[C@H]1NN=Cc1cccnc1 773126570 UVPCJXJBHHJQJG-CYBMUJFWSA-N 231.343 2.974 30 20 BFED CON=Cc1cc(-c2ccncc2)ccc1OC 774362818 MCBILWQOVLWZEX-UHFFFAOYSA-N 242.278 2.738 30 20 BFED COc1cccc(C=NOC2CCCC2)c1O 774602459 KDGUMLAGSCFJEN-UHFFFAOYSA-N 235.283 2.694 30 20 BFED CCC1(C)CCC(=NN[C@H](C)COC)CC1 777902231 PJFNNZVEGGTJTE-JTDNENJMSA-N 226.364 2.957 30 20 BFED C=CC[C@@H](C(=O)OCC#CC)c1ccccc1 778418490 MYHZHDNSLYNUSU-CQSZACIVSA-N 228.291 2.913 30 20 BFED Clc1csc(C=NN[C@@H]2CCCOC2)c1 782283083 KVBOCIPEDNSFHO-SECBINFHSA-N 244.747 2.504 30 20 BFED CC(=NNc1cccc(C)c1)c1cc(C)nn1C 788940219 ORVYFZACSBUIPK-UHFFFAOYSA-N 242.326 2.873 30 20 BFED CC[C@H](C)NN=C1CCCc2cc(O)ccc21 790186054 ALJHXJNPJVKBGQ-JTQLQIEISA-N 232.327 2.821 30 20 BFED C[C@@H]1CCCC(=NNc2nccn2C)[C@@H]1C 790305807 OMLWKOLFQZNYGF-NXEZZACHSA-N 220.320 2.644 30 20 BFED CC[C@@H]1CCC[C@@H](C=NN[C@H](CC)C(=O)O)C1 793077290 CXPJPCGWLVWBTH-IJLUTSLNSA-N 240.347 2.641 30 20 BFED COCCN(C)N=C1CCCCc2ccccc21 794968387 OMZCJZVQGRVMJI-UHFFFAOYSA-N 246.354 2.695 30 20 BFED C=C(C)CN(Cc1ccccc1)C(=S)NCC 794995667 QQCJWQGUCVRVLN-UHFFFAOYSA-N 248.395 2.959 30 20 BFED C=CCNN=C1CCOc2ccc(C)c(C)c21 795003564 KUWJQYXCTXXSCU-UHFFFAOYSA-N 230.311 2.566 30 20 BFED N#CCCCOC(=O)c1sccc1Cl 797210158 YNCGFXANMBEAPV-UHFFFAOYSA-N 229.688 2.862 30 20 BFED C=CCCCOC(=O)c1cc(C#N)oc1C 797888942 VIBGSCPSSPSQTJ-UHFFFAOYSA-N 219.240 2.583 30 20 BFED N#CCCCOC(=O)c1cc(S)ccc1F 798724577 ONSMRDVDHZNSJM-UHFFFAOYSA-N 239.271 2.575 30 20 BFED CC#CC(=O)N1CCC[C@H]1c1ccc(C)cc1 801117509 ZWTHECFFMYNHKC-AWEZNQCLSA-N 227.307 2.682 30 20 BFED C=CCCCCCCNC(=O)[C@@H](CC)OC 805217985 OQSHEJNNPQMRKK-GFCCVEGCSA-N 227.348 2.664 30 20 BFED C=C[C@@](C)(CC)C(=O)OCCCSCC#N 805535058 LLLHZVGRLZMWJD-LBPRGKRZSA-N 241.356 2.779 30 20 BFED C=CCCC[C@H](C)NC(=O)N1CCC[C@H]2C[C@H]21 807075984 ONHBXGMBEAGIRH-RWMBFGLXSA-N 236.359 2.925 30 20 BFED CO[C@H]1CCCCC1=NOC/C=C\Cl 811669566 GJSARTIBFJXBMC-NWDHXRRDSA-N 217.696 2.701 30 20 BFED Oc1c(F)cc(C=NOC2CCC2)cc1F 812235124 MHFCGZTWCGQHGS-UHFFFAOYSA-N 227.210 2.573 30 20 BFED CC1(C)C[C@]1(C#N)NC(=O)[C@@H](F)c1ccccc1 813302831 FOJWIXJCWQTDBA-SMDDNHRTSA-N 246.285 2.506 30 20 BFED C(=NOCC1CC1)c1c[nH]c2ccccc12 814245181 ULTNTQUWKWHARV-UHFFFAOYSA-N 214.268 2.928 30 20 BFED CC(C)CON=Cc1ccc(C#N)c(F)c1 817325853 IFQZMKXRELUDQK-UHFFFAOYSA-N 220.247 2.704 30 20 BFED C=C(C)C(C)(C)C(=O)N1CCC(F)(F)CC1 819519719 NUSXKQOCFKNOHD-UHFFFAOYSA-N 231.286 2.846 30 20 BFED CC(C)C#CC(=O)N1C[C@@H](C)c2ccccc21 822183166 OLSNOQKMELCDOJ-GFCCVEGCSA-N 227.307 2.796 30 20 BFED C=C[C@H](CC)CC(=O)N1CCC(C)(F)CC1 828264726 JVPKZBAMMGFFJX-LLVKDONJSA-N 227.323 2.939 30 20 BFED C[C@H]1CCCCN(C(=O)C#Cc2cccs2)C1 829724590 QYAKLQMVZIFSSK-LBPRGKRZSA-N 247.363 2.748 30 20 BFED COc1cccc(C=NN[C@@H](C)C(F)(F)F)c1 834996456 KYXJYWBOKYOBHN-QMMMGPOBSA-N 246.232 2.570 30 20 BFED C=CCCO[C@H](C)C(=O)O[C@@H](C)CCSC 835815781 OVAZJJGNBFJHMN-WDEREUQCSA-N 246.372 2.652 30 20 BFED C[C@H]1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 837334076 HRULDGUVSGAARU-NWDGAFQWSA-N 221.344 2.731 30 20 BFED C=CCONC(=O)NC[C@H](C)c1ccc(C)cc1 838708549 YZJFYTGOSLRDAU-LBPRGKRZSA-N 248.326 2.515 30 20 BFED C[C@@H](C(=O)O[C@@H](C#N)C(C)(C)C)C1CCC1 838854064 NWYJYSLLWUBGAE-KOLCDFICSA-N 223.316 2.904 30 20 BFED CC(=O)Oc1ccc(CSCCC#N)cc1 840215173 VTPHAFRRKRRDLY-UHFFFAOYSA-N 235.308 2.759 30 20 BFED CC#CCOC(=O)Cc1cccc(C2CC2)c1 840613223 XEIXLTKNFBRJDW-UHFFFAOYSA-N 228.291 2.673 30 20 BFED C#CCCc1noc(C2SCCCS2)n1 842491207 HYOAZQDUKMHEPU-UHFFFAOYSA-N 240.353 2.504 30 20 BFED C=C(Cl)CN1C[C@H](CC)OC[C@H]1CC 844388226 QFJFJQVVZYTXND-MNOVXSKESA-N 217.740 2.628 30 20 BFED C=C[C@@H](C)ON=C(CC)c1cccc(N)c1 844620905 RRTVLLPDUFXFQS-SNVBAGLBSA-N 218.300 2.974 30 20 BFED C=C[C@H](C)ONC(=O)Cc1ccc(Cl)s1 846552270 DIUPCTFZQOMLCM-ZETCQYMHSA-N 245.731 2.566 30 20 BFED CC[C@H](CC#N)NC[C@@H]1CCc2ccccc21 846984601 CFLXKYGEGCMGBM-UONOGXRCSA-N 228.339 2.998 30 20 BFED CCN(C[C@H](C)C#N)C(=O)/C(C)=C\c1ccco1 847352707 IBJFTTWPVRXQJQ-HQQGHWSLSA-N 246.310 2.691 30 20 BFED CC[C@@H](C#N)OC(=O)c1c(C)cc(F)cc1C 849984100 UDBIOSBGOBPMQR-NSHDSACASA-N 235.258 2.902 30 20 BFED C=CCOC(=O)c1cc(SC)oc1C 850230557 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BFED C=CCCCOC(=O)[C@@H](CCC)OCC 859839295 CNRMZQRTZDDLDX-LLVKDONJSA-N 214.305 2.701 30 20 BFED C#C[C@@H](C)N(C)Cc1ccc2[nH]ccc2c1 862349144 QNQXREPTIVMXEI-LLVKDONJSA-N 212.296 2.621 30 20 BFED CCCCCCCNC(=O)[C@@](C)(OC)C1CC1 862356282 VOZYRZFHWGZPPP-AWEZNQCLSA-N 241.375 2.888 30 20 BFED COc1ccnc(C(C)=NNCC2CCCC2)c1 863113789 SMPUDTPKEVUVBH-UHFFFAOYSA-N 247.342 2.594 30 20 BFED CC1(C)CCC[C@H](C=NN2CCOC2=O)C1 863162945 HPNNDPGHCZIRCT-JTQLQIEISA-N 224.304 2.641 30 20 BFED CCCCCCCN[C@@H](C)C[C@H](C)N 863539464 CNHKCWCEWXGZIS-RYUDHWBXSA-N 200.370 2.672 30 20 BFED Cc1ccc(C=NOC[C@@H]2CCO[C@@H]2C)cc1 871722348 BGYOGRXOHAAZGO-OCCSQVGLSA-N 233.311 2.771 30 20 BFED Fc1c(Cl)cccc1C=NN1CCC1 872396718 GDLXZPUPGUDCDK-UHFFFAOYSA-N 212.655 2.519 30 20 BFED C#CCCCCCCN[C@H]1C[C@@H](C)N(C2CC2)C1 877095417 YBRLGYBZFPVDMS-CABCVRRESA-N 248.414 2.785 30 20 BFED C#CCN(C(=O)Nc1csc(C)c1)C1CC1 880639479 JJGNBYQMINAGKM-UHFFFAOYSA-N 234.324 2.686 30 20 BFED C=C(C)C(C)(C)C(=O)NC[C@H]1C=CCC1 881500748 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2.539 30 20 BFED N#Cc1cccc(Br)c1NCCF 1559180235 ZBKWFWJHSPBNRJ-UHFFFAOYSA-N 243.079 2.702 30 20 BFED C=C[C@@H](CC)CC(=O)Oc1cccc(C(=O)O)c1 1588692555 DNXZPXCYOWPHNO-JTQLQIEISA-N 248.278 2.893 30 20 BFED CCCN(C(=O)c1ccc(C#N)cc1)C1CC1 37097490 DRANECWBJXDEEM-UHFFFAOYSA-N 228.295 2.573 30 20 BFED COc1cccc(CN(C)CCCCC#N)c1 42223680 CUINCFYYMKRKBV-UHFFFAOYSA-N 232.327 2.821 30 20 BFED C=CCN(CC=C)C(=O)COC1CCCCC1 44469938 AXZOEZMZGJAFPJ-UHFFFAOYSA-N 237.343 2.536 30 20 BFED C[C@H](C#N)CNC(=O)Nc1ccccc1Cl 54157598 ISZOBWICEQPEFU-MRVPVSSYSA-N 237.690 2.621 30 20 BFED Cc1ccc(C#N)cc1NC(=O)NCC1CCC1 69606129 MCLDZXAAQGGBFD-UHFFFAOYSA-N 243.310 2.788 30 20 BFED CCCc1nccn1Cc1cc(C#N)ccc1F 70424245 ITQFGXOXQNRGMG-UHFFFAOYSA-N 243.285 2.895 30 20 BFED C=CCCN1CCc2ccc([N+](=O)[O-])cc2C1 88605772 FDOZFRNKARUOAH-UHFFFAOYSA-N 232.283 2.529 30 20 BFED N#CCN(C(=O)CCC(F)(F)F)C1CCCC1 88833756 GPXGGRNFRURCRP-UHFFFAOYSA-N 248.248 2.624 30 20 BFED C=CCCC(=O)N(C)Cc1cccc(F)c1 102218153 CDGMERPPUDEJRG-UHFFFAOYSA-N 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232.165 2.858 30 20 BFED CCN(Cc1coc(C(C)(C)C)n1)C[C@H](C)C#N 929429544 MXZJCGGYNWDMCO-LLVKDONJSA-N 249.358 2.954 30 20 BFED CCc1ncc(CN(CC#N)C2CCCC2)o1 929686047 SVZVRRYDWDNPCN-UHFFFAOYSA-N 233.315 2.505 30 20 BFED C=C[C@H](CC)CC(=O)Nc1ncc(OC)s1 935826404 VAMDIMFPDUWPMF-MRVPVSSYSA-N 240.328 2.693 30 20 BFED C=C[C@H](COC)NC1C2CC3CC(C2)CC1C3 1116621326 SVCQJIGJZPPTAH-DUTNFGBUSA-N 235.371 2.602 30 20 BFED C#C[C@H](OC(=O)c1cc(C)cc(Cl)n1)C1CC1 1122838501 CUBXUDRCEFNDJQ-NSHDSACASA-N 249.697 2.612 30 20 BFED C=C(CC(C)C)C(=O)N[C@@H]1C[C@H]1C1CC1 1123770733 KCANQRKECYWIGW-NWDGAFQWSA-N 207.317 2.503 30 20 BFED C[C@H]1CC[C@H](NC(=O)c2csc(C#N)c2)CC1 1261253806 PNXGLXBRJSULHA-HOMQSWHASA-N 248.351 2.928 30 20 BFED C=C(C)C(C)(C)c1nnc([C@H]2CCO[C@@H]2C)o1 1327061164 ZZPMSIWOVAECLK-ZJUUUORDSA-N 236.315 2.816 30 20 BFED CC(F)(F)CC(=O)OCc1ccc(C#N)s1 1329977848 MCGYBDOAJIASCT-UHFFFAOYSA-N 245.250 2.708 30 20 BFED Cn1ccc(NN=C2CCC(C)(C)CC2)n1 1338903730 TXXMYEMDANSWDZ-UHFFFAOYSA-N 220.320 2.788 30 20 BFED C#CCCCNC(=O)N1CCC[C@H]1CCC=C 1343278401 NPBKKIZMJFPYOM-CYBMUJFWSA-N 234.343 2.540 30 20 BFED C=C[C@H](CC)CC(=O)OC[C@]1(C)C[C@@H]1F 1345071361 OXIRAMPRJFTXRC-SCVCMEIPSA-N 214.280 2.880 30 20 BFED C=CCC(C)(C)CNC(=O)c1cnoc1C1CC1 1347734913 UVLUSSYOMHQGMK-UHFFFAOYSA-N 248.326 2.884 30 20 BFED C#CCCCCCCN[C@@H](C)c1noc(C)n1 1349626762 UQCMQMLVWGOFDP-NSHDSACASA-N 235.331 2.612 30 20 BFED CC1(C)CCC(=NNc2ccc(C#N)cn2)C1 1349841380 VXOVVSZEMFIDST-UHFFFAOYSA-N 228.299 2.931 30 20 BFED C=CCS[C@@H](C)c1cccc(-c2nn[nH]n2)c1 1588688699 OBVVDYNVHLEXJF-VIFPVBQESA-N 246.339 2.847 30 20 BFED C=CCCCCNC1(CC(=O)O)CCCC1 1588802185 FQTHPNHETRSGRO-UHFFFAOYSA-N 225.332 2.720 30 20 BFED C=C[C@@H](SCCSC(C)(C)C)C(=O)O 1602826590 DQOCCHOEHGGAIV-MRVPVSSYSA-N 234.386 2.891 30 20 BFED C=CCC[C@@H](C)N1CCC[C@H](CCC(=O)O)C1 1776166055 NGHONHFNVZNXJH-CHWSQXEVSA-N 239.359 2.918 30 20 BFED Cc1ccc(C=NNc2ccccn2)cc1 15015513 XWLQKHPZFLSJLT-UHFFFAOYSA-N 211.268 2.836 30 20 BFED CCc1n[nH]c(SCc2cccc(C#N)c2)n1 22542973 BOJBODUGWQPPKH-UHFFFAOYSA-N 244.323 2.531 30 20 BFED N#Cc1ccccc1NC(=O)/C=C\c1ccco1 33328780 VBWGOZLVSDRYTG-FPLPWBNLSA-N 238.246 2.803 30 20 BFED C=C(C)CN(CC)C(=O)c1ccc2[nH]cnc2c1 35137991 QFIAONTUTHICTN-UHFFFAOYSA-N 243.310 2.601 30 20 BFED CCCN(c1ccc(C#N)cn1)C(C)C 37096309 GCBHENNIDMSQPX-UHFFFAOYSA-N 203.289 2.578 30 20 BFED CC[C@@H](NC(=O)C1(C#N)CCCC1)C(C)C 44386136 FQJQNOSJFFUESR-LLVKDONJSA-N 222.332 2.621 30 20 BFED C=C(C)CN1CCCN(Cc2ccccc2)CC1 54992931 XNEAMWWPFYUBDL-UHFFFAOYSA-N 244.382 2.770 30 20 BFED C#CCSc1nnc(-c2cccc(C)c2)o1 59133629 PSQXDEAMIQYBNG-UHFFFAOYSA-N 230.292 2.770 30 20 BFED Cc1ccc(C(=O)N[C@@](C)(C#N)C(C)C)cc1 60054165 PTHJZODQYSQXFA-AWEZNQCLSA-N 230.311 2.663 30 20 BFED C#Cc1cccc(N(C)Cc2ncc(C)o2)c1 75713806 CNGYGKAZLNWVDA-UHFFFAOYSA-N 226.279 2.601 30 20 BFED CCC[C@H](C#N)NC(=O)c1c(C)oc(C)c1C 87198948 HAVIMWPSWCAAPR-LLVKDONJSA-N 234.299 2.627 30 20 BFED CO[C@@]1(C)C[C@@H](Nc2cnccc2C#N)C1(C)C 91730049 UFPXUJQGCBGFAK-OCCSQVGLSA-N 245.326 2.569 30 20 BFED C=C[C@H](C)N[C@@H](C)c1ccccc1N(C)C 93947005 YFSBSSOQEODBSE-RYUDHWBXSA-N 218.344 2.978 30 20 BFED C=CCCS(=O)(=O)Nc1ccc(Cl)cc1 96659453 IKXJIZRIWWJBMQ-UHFFFAOYSA-N 245.731 2.658 30 20 BFED CC[C@H](C#N)NC(=O)c1ccc2c(c1)CCCC2 102350760 PKKRFUCHPBNBMZ-CQSZACIVSA-N 242.322 2.597 30 20 BFED CO[C@@H]1CCC[C@H]1Nc1ccc(F)cc1C#N 107037893 PWJGLSYPCQIGEU-CHWSQXEVSA-N 234.274 2.677 30 20 BFED N#C[C@H]1CCC[C@@H](NC2CCCCC2)C1 114999392 YXESMIARGIBJJI-WCQYABFASA-N 206.333 2.991 30 20 BFED C=C[C@H](C)NC1CCN(Cc2ccccc2)CC1 119322341 VSNXFKNQGKFCGE-AWEZNQCLSA-N 244.382 2.815 30 20 BFED CC[C@@H](C#N)Nc1ccccc1O[C@@H]1CCOC1 122259725 XUURDBZHPYLYEL-NWDGAFQWSA-N 246.310 2.568 30 20 BFED CCN(CC#N)C(=O)c1ccc(CC(C)C)cc1 124190656 KCGVXDLGPMDAQQ-UHFFFAOYSA-N 244.338 2.871 30 20 BFED C=CCC(CC=C)C(=O)Nc1cnccc1OC 128690117 KNJCLDIYSLWRLL-UHFFFAOYSA-N 246.310 2.797 30 20 BFED C=CCC(CC=C)C(=O)N[C@@](C)(C#N)C(C)C 128943547 OINWMZJLIKIZQK-AWEZNQCLSA-N 234.343 2.809 30 20 BFED CCC1(C)CCN(C(=O)[C@](C)(C#N)CC)CC1 136246547 JBISZZUGGORTJI-AWEZNQCLSA-N 236.359 2.965 30 20 BFED CCC1(CC)CCN(C(=O)[C@@](C)(C#N)CC)C1 136275960 MCSAWFSSFHFTDU-CYBMUJFWSA-N 236.359 2.965 30 20 BFED CCN(C(=O)c1ccc(C#N)[nH]1)C1CCCCC1 155896027 ASIPATLLNVJYAU-UHFFFAOYSA-N 245.326 2.681 30 20 BFED C=CCN(C)C(=O)Nc1nc(CCC)cs1 157738519 ZILSLOBTEFZKJK-UHFFFAOYSA-N 239.344 2.745 30 20 BFED CC#CCN(C)[C@H](C)c1ccc(OC)cc1 158891721 HTXOJVYKZGDCMK-GFCCVEGCSA-N 217.312 2.711 30 20 BFED CCCC1(CNC(=O)C2(C#N)CCCC2)CC1 160786835 CJZGNLUVBJQRLT-UHFFFAOYSA-N 234.343 2.767 30 20 BFED C=CCCN[C@@H]1CCc2ccc(OC)cc2C1 161713499 LKCGOJDXQLFDFO-CQSZACIVSA-N 231.339 2.718 30 20 BFED C#C[C@@H](C)NC(=O)Cc1ccc2ccccc2c1 163416840 VRDWOFHDJOEACB-GFCCVEGCSA-N 237.302 2.520 30 20 BFED C=CCOCCCC(=O)N[C@H](C)c1ccccc1 173008492 ICNTYJYZHMYDTQ-CYBMUJFWSA-N 247.338 2.847 30 20 BFED C#CCCCNC(=O)N1C[C@@H](C)c2ccccc21 173328028 MXGKLZOEMWNOHH-GFCCVEGCSA-N 242.322 2.733 30 20 BFED Cn1nccc1/C=C1\CCCC(C)(C)C1=O 177022112 WLGZCSQARVOKSU-MDZDMXLPSA-N 218.300 2.583 30 20 BFED C#CCOc1ccc(CN(CC)C2CC2)cc1 180102198 LXQWFGPOWHVKHR-UHFFFAOYSA-N 229.323 2.683 30 20 BFED C#CCCCCNC(=O)N[C@H]1CC12CCCCC2 180409669 ISBGMNYXOXDYGE-ZDUSSCGKSA-N 248.370 2.812 30 20 BFED C=C(C)CN(C)C(=O)CCc1ccccc1C 180416024 ZVEMREZBLDAPSS-UHFFFAOYSA-N 231.339 2.962 30 20 BFED C#CCCCNC(=O)C1(C)CCCCCC1 180877761 NQCPMQSBYVDRRQ-UHFFFAOYSA-N 221.344 2.877 30 20 BFED COCCC[C@H](C)C(=O)Nc1cccc(C#N)c1 182169781 OJYPVOZTBQALML-NSHDSACASA-N 246.310 2.559 30 20 BFED C=CCCC[C@@H](C)Nc1ncnc2c1cnn2C 183445101 LQOZSRJUVKRBIO-SNVBAGLBSA-N 245.330 2.520 30 20 BFED C#CCCCCNC(=O)C[C@@H]1CCC[C@H]1C 184763473 QRHHPXRJTOFWFH-OLZOCXBDSA-N 221.344 2.732 30 20 BFED CC#CCCCC(=O)NCc1cccc(OC)c1 184914870 CUWDOSHMZHNUNG-UHFFFAOYSA-N 245.322 2.505 30 20 BFED C#CCCCC(=O)NCCSc1ccccc1 192055353 TYNGIJLQZQYBSV-UHFFFAOYSA-N 247.363 2.698 30 20 BFED CC(C)C1(CNc2ccc(C#N)nc2)CC1 227823700 FCPRAYQYGYEAHS-UHFFFAOYSA-N 215.300 2.801 30 20 BFED C[C@H](NCCOCC1CC1)c1ccc(C#N)cc1 231666126 LIXUZVBYVSSPDK-LBPRGKRZSA-N 244.338 2.635 30 20 BFED C[C@H]1[C@H](C)CCN1Cc1cccc(C#N)c1 248325192 BCJMFYQAZNRYJK-NEPJUHHUSA-N 214.312 2.789 30 20 BFED CC[C@](C)(C#N)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 252505266 TXEAQZGAFSJPBR-NLRWUALESA-N 248.370 2.867 30 20 BFED Cc1cc(C)cc(Nc2cncc(C#N)n2)c1 259769376 RFKWEQVBBLMKQY-UHFFFAOYSA-N 224.267 2.709 30 20 BFED CC(C)C[C@H](C#N)NC(=O)c1ccc(Cl)o1 259860912 GLZSPMWITHFVNG-MRVPVSSYSA-N 240.690 2.601 30 20 BFED COc1cccc(CN2CCC[C@@H](CC#N)C2)c1 260221789 WAFNUSOMEKXVDB-ZDUSSCGKSA-N 244.338 2.821 30 20 BFED CCC1(CNc2ccc(C#N)nc2)CCOCC1 267399446 PBNISASODIRPPH-UHFFFAOYSA-N 245.326 2.572 30 20 BFED C[C@H]1CCN(c2snc(Cl)c2C#N)[C@@H]1C 267572049 AISWRVVXHUUZQA-NKWVEPMBSA-N 241.747 2.903 30 20 BFED C=CCCN(C)c1cccc(F)c1C#N 276269921 GYYIQJWKDVZQBO-UHFFFAOYSA-N 204.248 2.710 30 20 BFED C/C=C(/CC)C(=O)N(CCC#N)Cc1ccco1 276567029 HBHANYCQPAVRGJ-BASWHVEKSA-N 246.310 2.878 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cccnc1 280670831 PUHGCRNZLZJCED-YUELXQCFSA-N 246.354 2.713 30 20 BFED C[C@@H]1C[C@@H](c2ccccc2)N(CCC#N)C1 285772751 SFPILHGSYMZUMK-OCCSQVGLSA-N 214.312 2.983 30 20 BFED C[C@H]1COCC[C@H]1CNc1cccc(F)c1C#N 286250799 DVYBNQINJMOLHT-QWRGUYRKSA-N 248.301 2.782 30 20 BFED C=CCOc1cccc(CN[C@@H](C)CF)c1 288324069 ACBBNBKNUSHDRE-NSHDSACASA-N 223.291 2.699 30 20 BFED C#Cc1ccc(CN(C)C[C@H]2CCCOC2)cc1 289442984 WQAOCYTUNRXCQT-MRXNPFEDSA-N 243.350 2.526 30 20 BFED C=CCCN(C)C(=O)NCC(C)(C)CC=C 292706669 GWCZKNJGOQNDFC-UHFFFAOYSA-N 224.348 2.806 30 20 BFED CC/C=C/CNc1ccc(C#N)c(C)n1 294992501 NEQYQTGPDWBLJU-SNAWJCMRSA-N 201.273 2.640 30 20 BFED CC[C@H]1CCC[C@H](Nc2ncncc2C#N)C1 302547979 RTDQSSBEGQFUAR-JQWIXIFHSA-N 230.315 2.729 30 20 BFED Cc1ccc([C@@H](C)NCCO[C@H](C)C#N)s1 304209388 DQZDAFVUBBQPMT-MWLCHTKSSA-N 238.356 2.636 30 20 BFED CCCC[C@H](CCC)C/N=C(\N)NC(C)C 304839745 PKXYYHQIJRPYNP-LBPRGKRZSA-N 227.396 2.906 30 20 BFED C=C(Cl)COC(=O)c1cscc1C 308380427 QBLOSGYEQRVPDE-UHFFFAOYSA-N 216.689 2.966 30 20 BFED CSC1CCN(CCC(C)(C)C#N)CC1 308783253 VKBCQXCNTYBKLX-UHFFFAOYSA-N 226.389 2.754 30 20 BFED CCCCCNc1nc(C#N)ccc1C 308968518 XNFGFQFQSCJKBP-UHFFFAOYSA-N 203.289 2.864 30 20 BFED C=C(CC)CNCc1cnc(CC)s1 313507339 UXUCPPFYGUCTQL-UHFFFAOYSA-N 210.346 2.761 30 20 BFED C#C[C@H](NC(=O)[C@@H]1CCCCC1(F)F)C(C)C 327950950 YYVKVRSLXUVAHR-QWRGUYRKSA-N 243.297 2.586 30 20 BFED OC(=Nc1cccc2c1OCO2)[C@H]1CCCCO1 329317874 SOJXACZMQNSURZ-LLVKDONJSA-N 249.266 2.572 30 20 BFED C[C@H]1C[C@H](C(O)=Nc2cccc(C3CC3)n2)CO1 329586719 YNIHRPJAQQTSNS-ONGXEEELSA-N 246.310 2.972 30 20 BFED C[C@@H](Nc1cccc(F)c1C#N)[C@H]1CCCOC1 334322459 IWHLSTVPGUDJGY-MNOVXSKESA-N 248.301 2.924 30 20 BFED C[C@H]1CCC[C@@H](CC(=O)NC2(C#N)CCC2)C1 334425831 XVIIHXWJUDAFPG-NWDGAFQWSA-N 234.343 2.765 30 20 BFED C[C@@H]1CN(c2ncc(C#N)cc2F)CC[C@H]1C 334602948 MZLZPGBCMGWTRX-NXEZZACHSA-N 233.290 2.575 30 20 BFED Cc1cc(Cl)cc(C#N)c1OCC(C)(C)O 334779498 WXDSEOXQDRESAJ-UHFFFAOYSA-N 239.702 2.670 30 20 BFED Cc1noc(CSc2ccccc2C#N)n1 334895296 HXTTWSUOHZSALA-UHFFFAOYSA-N 231.280 2.542 30 20 BFED CN(CC1(C#N)CC1)[C@@H]1CCc2ccccc2C1 335339584 BEBHMIPIRYMGMU-OAHLLOKOSA-N 240.350 2.779 30 20 BFED N#CC1(C(=O)N2CCC23CCC3)CCCCC1 335718289 DYLDXPXQMDKVCE-UHFFFAOYSA-N 232.327 2.615 30 20 BFED CC1(C)CCCN(C(=O)c2ccc(C#N)s2)C1 336035262 GCHFFWVNIOZMKK-UHFFFAOYSA-N 248.351 2.882 30 20 BFED C=CC[C@H](CC)NC1CC(OC(C)C)C1 336657787 AVQYNQLQXGVYFO-HIFPTAJRSA-N 211.349 2.887 30 20 BFED C=C(C)[C@@H](CC(=O)N1CCC[C@@H]1CC)OCC 339201187 PVBDLYKDPMOUNW-QWHCGFSZSA-N 239.359 2.759 30 20 BFED C=C(C)[C@H](CC(=O)N[C@H](C)[C@H](C)CC)OCC 339201418 HGLMHLHIHWVPAS-UPJWGTAASA-N 241.375 2.909 30 20 BFED C=CCCN=c1cc(C)n(-c2ccc(C)cc2)[nH]1 340051956 CGCOZEOQQWPIOE-UHFFFAOYSA-N 241.338 2.899 30 20 BFED CC#CCN(C)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 341085073 OKBBZCMCPRTRFP-ITGUQSILSA-N 221.344 2.540 30 20 BFED C[C@@H]1CC=CC[C@@H]1C(=O)N[C@H](C#N)C(C)(C)C 341363577 LKCDZZXCCWWVPS-GRYCIOLGSA-N 234.343 2.643 30 20 BFED C=CCC(C)(C)C(=O)N1CCS[C@H](CC)C1 341374018 MNUCDSUCGAOUPH-LLVKDONJSA-N 241.400 2.943 30 20 BFED CC#CCCCC(=O)N[C@H](C)c1cncc(F)c1 341380398 SHYCWLTUWOVAFM-LLVKDONJSA-N 248.301 2.592 30 20 BFED Cc1cccc(F)c1NC(=O)NCC(C)(C)C#N 350813704 RECRBDMRJXGWIQ-UHFFFAOYSA-N 249.289 2.805 30 20 BFED C=C[C@@H]1CCCCN1CC1CC(OCC)C1 352420957 ITUSQIAEHODQIO-ROKHWSDSSA-N 223.360 2.842 30 20 BFED C=CC[C@@H](CC)NC(=O)NCC1(SC)CC1 354958549 JFXXEYBGAGGRCN-SNVBAGLBSA-N 242.388 2.536 30 20 BFED N#CCCNc1ccc(C(F)(F)F)c(C#N)c1 362676585 VNHGOLLIWLGXOM-UHFFFAOYSA-N 239.200 2.903 30 20 BFED N#CCCCCN1CCC2(CCOCC2)CC1 375290390 AWAPNKROZGIJJH-UHFFFAOYSA-N 236.359 2.573 30 20 BFED C=C[C@@H](COC)N[C@H](C)c1cccs1 379583651 NJKQPTNAXPMQLC-ZJUUUORDSA-N 211.330 2.600 30 20 BFED C=CCCCCNC(=O)c1cc(O)ccc1C 393864966 NDPFNZDCCIJJHU-UHFFFAOYSA-N 233.311 2.787 30 20 BFED CC(C)[C@]1(C)C[C@H]1Nc1cnccc1C#N 397163506 XWCPXCXWJYPLTJ-OLZOCXBDSA-N 215.300 2.800 30 20 BFED C=CCCC[C@@H](C)Nc1cc(C(=O)O)ccn1 398173354 PLGCZRNKYSBOES-SNVBAGLBSA-N 234.299 2.937 30 20 BFED C=C(CN[C@H](C)CCCCO)c1ccccc1 398533942 SBLZGZHRVAOXKW-CQSZACIVSA-N 233.355 2.841 30 20 BFED C=CCCC[C@H](C)NC[C@H](OC)C1CC1 400190535 UOFRPGZJFDVGOM-AAEUAGOBSA-N 211.349 2.746 30 20 BFED CC[C@H]1CN(Cc2ccc(C#N)cc2)[C@@H](C)CO1 403906437 BBJRAWYNEMPEAD-WFASDCNBSA-N 244.338 2.558 30 20 BFED Cc1cc(CNc2cccc(C#N)c2)sn1 404465121 RXGNTLCKRDHRAO-UHFFFAOYSA-N 229.308 2.935 30 20 BFED CC(C)C[C@H]1CCCCN1C(=O)NCCC#N 408366438 OBJTYZNWWZMQLC-GFCCVEGCSA-N 237.347 2.510 30 20 BFED C=CCCCCNC(=O)[C@H](CC(C)C)OC 415442204 BTNDYKGIHWQKKJ-LBPRGKRZSA-N 227.348 2.520 30 20 BFED C=CCC[C@H](CC)N[C@H]1CCC[C@H](N)C1 423376933 JKOFELMWHDDURV-AVGNSLFASA-N 210.365 2.591 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 449520494 PXQBLHJDUHPDCW-PTPFZMSRSA-N 247.382 2.744 30 20 BFED C=C(CC)CN[C@@H](C(C)C)[C@@H](CO)C(C)C 451600087 QYLXINFWVCNQIS-KBPBESRZSA-N 227.392 2.831 30 20 BFED C=C(C)CCNC(=O)C[C@H](OCC)C(C)C 452715871 FNBMBBCGHXJYHI-LBPRGKRZSA-N 227.348 2.520 30 20 BFED C=C(CC)CNC(=O)[C@@H]1C[C@H]1CC(C)C 453031116 ZRXIWNGNHDCYAY-VXGBXAGGSA-N 209.333 2.751 30 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C=C(C)CCNC(=O)C1(C(F)F)CCCC1 575223598 WBWQVPVARYGQHR-UHFFFAOYSA-N 231.286 2.894 30 20 BFED CC1(C)CC(CN=c2[nH]ccc(C#N)c2Cl)C1 576370500 SMKCDOLQBDSMAE-UHFFFAOYSA-N 249.745 2.877 30 20 BFED C=CCCCCN(C)[C@@H]1CCN(C(C)C)C1 581351820 PAALNDUAPQCWQX-CQSZACIVSA-N 224.392 2.757 30 20 BFED C=CCn1c(CC)nnc1N1CCCC[C@H]1CC 583350073 JBOKENVFJKOEOP-GFCCVEGCSA-N 248.374 2.795 30 20 BFED C=CCNC(=O)N[C@H]1CCCC[C@H]1CCC 590630074 MGYWCZXMEOZKCG-NEPJUHHUSA-N 224.348 2.831 30 20 BFED CC[C@H](CC#N)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C 592789425 CWKXIKJNLXDKTO-QJPTWQEYSA-N 236.359 2.867 30 20 BFED CC[C@@H](C#N)C(=O)Nc1ccc2[nH]c(C)cc2c1 593403536 VZBCVVFDSVRSKS-JTQLQIEISA-N 241.294 2.965 30 20 BFED CC[C@H](CC#N)N[C@H](COC)CC(C)(C)C 593615670 RMKXBCINJMYWKP-NEPJUHHUSA-N 226.364 2.719 30 20 BFED CC[C@H](C#N)N(C)C(=O)C[C@@H]1CCCC[C@@H]1C 594090039 XVMJLBMMVJBFSR-RWMBFGLXSA-N 236.359 2.963 30 20 BFED N#C[C@@H]1CCC[C@H](NCC2=CCCC2)C1 595096337 JNAMFJWBMDKSNG-OLZOCXBDSA-N 204.317 2.769 30 20 BFED 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248.326 2.614 30 20 BFED CC[C@H](C)C(C)=NNc1nccnc1Cl 733078632 HISLOJSOSFRFDX-ZETCQYMHSA-N 226.711 2.964 30 20 BFED C=CCCCOC(=O)c1scnc1Cl 735530183 GGBTXYMNQPRJQA-UHFFFAOYSA-N 231.704 2.920 30 20 BFED CC(Cc1cccs1)=NNCC(F)F 740618663 VRMDJMDYLKHCQC-UHFFFAOYSA-N 218.272 2.521 30 20 BFED N#Cc1cc(F)ccc1COC(=O)C1CC=CC1 741043224 VBZKEETXICXJOQ-UHFFFAOYSA-N 245.253 2.707 30 20 BFED Cc1cnc(CON=Cc2ccccc2C)o1 742352004 LTTAYLYXBDDNKE-UHFFFAOYSA-N 230.267 2.842 30 20 BFED CCC(=NNCc1ccccc1)C1CCOCC1 745196323 HNMDRBOKNJYKHI-UHFFFAOYSA-N 246.354 2.969 30 20 BFED CCCNN=Cc1cccc(OC(F)F)c1 747047647 DFGJMODDIVMSKT-UHFFFAOYSA-N 228.242 2.622 30 20 BFED COc1ccc(NN=C(C)c2cncs2)cc1 750920914 DPRLNWKORIWSRI-UHFFFAOYSA-N 247.323 2.988 30 20 BFED C=CCN(CC(=O)c1cc(C)n(C)c1C)C(C)C 754639416 IDFCXFBAIAPBHH-UHFFFAOYSA-N 248.370 2.721 30 20 BFED C(=NNc1cnccn1)[C@H]1C[C@H]1c1ccccc1 755635284 VBCNVFVFPDBJEZ-OLZOCXBDSA-N 238.294 2.678 30 20 BFED COCCC(C)(C)C(=O)OCCC(C)(C)C#N 759669626 IVVRLASGASNJPE-UHFFFAOYSA-N 241.331 2.532 30 20 BFED C#CCCc1noc(-c2cc(C)sc2C)n1 762009009 LUHKXRBOJGMJIZ-UHFFFAOYSA-N 232.308 2.981 30 20 BFED Oc1cccc(/C=N/[C@@H]2CCC(F)(F)C2)c1O 763095370 CUNXABHPSCUIGK-NEFPKRPYSA-N 241.237 2.705 30 20 BFED C/C=C(/C=C/C(=O)N[C@H](C#N)CC(C)C)CC 765380748 LMTHMWBNOPOJDS-XYVCKLHESA-N 234.343 2.953 30 20 BFED CC#CCCOC(=O)C[C@H]1CCC[C@@H]1C 769178550 SICPXPGALQVMMH-NWDGAFQWSA-N 208.301 2.769 30 20 BFED CC(C)Oc1ccc(C(=O)O[C@H](C)C#N)cc1 773476217 HHKBWPQPKYLHPR-SNVBAGLBSA-N 233.267 2.543 30 20 BFED C[C@H](CC#N)NC(=O)/C(F)=C\C1CCCCC1 773952009 HKMOMAAAMLSUOF-QSARLWQPSA-N 238.306 2.838 30 20 BFED C#C[C@@H](C)N(C)Cc1cccc(OCC=C)c1 775182515 AZQHMEVFGYKBSZ-CYBMUJFWSA-N 229.323 2.705 30 20 BFED C=CC[C@@H](C)NC(=O)c1cccc(Cl)c1O 775747999 UBGSJBPGGNJVPT-MRVPVSSYSA-N 239.702 2.740 30 20 BFED CCC[C@@H](C)C(CC)=NN[C@@H](C)COC 777893073 KDHQIMJKZLHFOS-MNOVXSKESA-N 214.353 2.813 30 20 BFED C=C(C)CN(C)C(=S)N[C@@H]1CCCC[C@@H]1C 777917708 AXHOGCQVJHAIFA-NWDGAFQWSA-N 240.416 2.948 30 20 BFED CCCCC=NNc1cccc(OC)n1 779817483 PFIWLZKTNFWLDK-UHFFFAOYSA-N 207.277 2.678 30 20 BFED Fc1ccc2c(c1)CCC2=NOC[C@@H]1CCOC1 788037016 PWDNPRAIVJHPEL-SNVBAGLBSA-N 249.285 2.529 30 20 BFED C[C@@H]1CCCCC1=NNCCc1ccncc1 789093202 HXBVAFKKGDJSKH-GFCCVEGCSA-N 231.343 2.780 30 20 BFED C#CCCN(CC(F)(F)F)C(=O)C(CC)CC 791138905 JGYCJWSTWIWZGR-UHFFFAOYSA-N 249.276 2.837 30 20 BFED CC[C@@H](C#N)OC(=O)c1occc1C(C)C 792616526 LQASPAGOCYCZKU-VIFPVBQESA-N 221.256 2.862 30 20 BFED C[C@@H](C#N)CNC(=O)[C@@H](F)CC1CCCCC1 793479461 PCQYEWIYHZVJPA-JQWIXIFHSA-N 240.322 2.571 30 20 BFED Cc1cc(C)cc(NN=Cc2c(C)cnn2C)c1 794878762 SPCSMMBMMLHZKX-UHFFFAOYSA-N 242.326 2.791 30 20 BFED C=CCNN=C(C)C1CCC(F)(F)CC1 794993353 AARDTQFCRAJAAR-UHFFFAOYSA-N 216.275 2.963 30 20 BFED C=CCOC(=O)c1cc2c(OC)ccc(F)c2[nH]1 796200610 GCDCJDUDSNZMAI-UHFFFAOYSA-N 249.241 2.658 30 20 BFED CCCCCOC(=O)c1cc(C#N)oc1C 797884920 BNXGTVJKBKUHLF-UHFFFAOYSA-N 221.256 2.807 30 20 BFED Cc1ccc(NN=C2CCC23CCC3)nn1 799880036 ZXARREDODVSZGK-UHFFFAOYSA-N 216.288 2.517 30 20 BFED C#C[C@H](NC(=O)C(C)(CC)CC)C(C)(C)C 807882910 BAZKFSXEJHONJL-NSHDSACASA-N 223.360 2.977 30 20 BFED C#Cc1ccccc1CC(=O)OCCCCCF 811257009 GTNDUWCHWOHBJS-UHFFFAOYSA-N 248.297 2.893 30 20 BFED CC(=NNc1cccc(C)c1)c1csnn1 814687573 LRQWSILHQLXPMF-UHFFFAOYSA-N 232.312 2.683 30 20 BFED C=CCCCCC[C@@H](C)NC[C@H](C)CN 817962462 MRXGQULHCOZDPR-CHWSQXEVSA-N 212.381 2.696 30 20 BFED C=CCCCCC[C@H](C)NC[C@H](C)CN 817962463 MRXGQULHCOZDPR-OLZOCXBDSA-N 212.381 2.696 30 20 BFED C=CCCCCC[C@H](C)NC[C@@H](N)CC 817980309 UBHFJQZRYOAQKO-STQMWFEESA-N 212.381 2.838 30 20 BFED C=CCCCCNC[C@@H](O)c1ccc(C)cc1 819237523 HTCKWMFKOVBEIK-OAHLLOKOSA-N 233.355 2.974 30 20 BFED C#CCC(C)(C)C(=O)OC[C@@H](C)c1ccccn1 821514145 OCDHIVKKYCEZBN-GFCCVEGCSA-N 245.322 2.778 30 20 BFED C#C[C@H](C)NC(=O)[C@@H](CC)Cc1cccc(C)c1 822081895 IDUBFGIFQZPRKC-ZFWWWQNUSA-N 243.350 2.702 30 20 BFED C#CCCCN(C)[C@@H](C)c1cccc(C#N)c1 823617539 KAANDTOUAFCWDX-ZDUSSCGKSA-N 226.323 2.964 30 20 BFED C=C(C)CCOC(=O)c1ccc(C(=O)O)cc1 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SCFPTLSRPNWWBO-UPJWGTAASA-N 238.375 2.719 30 20 BFED CSCC1CCN(c2ccc(C#N)cn2)CC1 719273609 SZYUTTGFTSKEOV-UHFFFAOYSA-N 247.367 2.533 30 20 BFED C[C@H]1Cc2cc(CN(C)[C@@H](C)CC#N)ccc2O1 720818610 BWOUGSDXHLRPIJ-RYUDHWBXSA-N 244.338 2.744 30 20 BFED Cc1ccc(F)c(C=NNc2cc(C)ncn2)c1 734979024 IDZDSYXKVDHTEA-UHFFFAOYSA-N 244.273 2.679 30 20 BFED Cc1noc([C@H](C)ON=Cc2ccccc2F)n1 736296647 LMNFPQQTELKUJE-QMMMGPOBSA-N 249.245 2.629 30 20 BFED C=CCCOC(=O)c1cc(CCC)ccc1N 740217920 MCORYVAKOQYHAV-UHFFFAOYSA-N 233.311 2.954 30 20 BFED Cc1cccc([C@@H](C)C(=O)O[C@H](C)C#N)c1 740354395 SSDHBXQYSCRUPN-GHMZBOCLSA-N 217.268 2.554 30 20 BFED CC(C)CON=C1[C@H]2CCCO[C@@H]2C1(C)C 749625891 JYQJTUVPNUUEHM-PWSUYJOCSA-N 225.332 2.850 30 20 BFED CCC[C@H](C#N)NC(=O)/C=C1\CC[C@H](C)C1 753603728 YUCKDTJXPYVTAI-MLHLWSAZSA-N 220.316 2.541 30 20 BFED COCC[C@H](C)ON=Cc1cccc(F)c1 755940497 QYESKHVTPYRQOQ-JTQLQIEISA-N 225.263 2.601 30 20 BFED Cc1cc(C)c(C=NNC2CC2)cc1C 758130491 WYQRKQDSTYOACB-UHFFFAOYSA-N 202.301 2.698 30 20 BFED C[C@@H](C#N)CNN=C/C=C/c1ccc(F)cc1F 758130733 ZEFIOKCDNMBYBK-MQFQHQEXSA-N 249.264 2.713 30 20 BFED Fc1cc(F)cc(C=NOCC(F)F)c1 758907598 YWPRLQZXOIYNRW-UHFFFAOYSA-N 221.153 2.580 30 20 BFED N#CCOC(=O)c1c(Cl)cc(F)cc1Cl 763563038 MLSYMAWXUIYQIT-UHFFFAOYSA-N 248.040 2.813 30 20 BFED C#CCN(Cc1ccccc1OCC)C1CC1 763959810 JMFCYHVHDLZGNH-UHFFFAOYSA-N 229.323 2.683 30 20 BFED CC#CC(=O)NCCc1csc2ccccc12 764352464 NATVEQCYOKGGSJ-UHFFFAOYSA-N 243.331 2.583 30 20 BFED C#CCC(C)(C)C(=O)OCc1cccc(C#N)c1 767651975 ZWPYVOMJHDKDDV-UHFFFAOYSA-N 241.290 2.651 30 20 BFED COC1CC(Nc2ccccc2O[C@H](C)C#N)C1 769550212 CFLROCKLVJHXDG-VOMCLLRMSA-N 246.310 2.567 30 20 BFED Fc1cccc(C=NOC[C@H]2CCCOC2)c1 769876260 DGKKFWNXNYXALK-LBPRGKRZSA-N 237.274 2.603 30 20 BFED C#C[C@H](C)NC(=O)/C=C\c1cc(C)c(C)cc1C 775387999 MJYPTXBRGRPASS-DANTVBBOSA-N 241.334 2.763 30 20 BFED C=C(Cl)COC(=O)Cc1ccccc1CC#N 777167668 QSKYGYIUOORCTR-UHFFFAOYSA-N 249.697 2.591 30 20 BFED Oc1cccc(C=NOCCC(F)(F)F)c1 777455892 NXMDGYOIGQHULD-UHFFFAOYSA-N 233.189 2.695 30 20 BFED C(=NOC1CCCCC1)c1cncs1 777457634 ZMTYNGBPOUXWTO-UHFFFAOYSA-N 210.302 2.826 30 20 BFED Clc1cncnc1NN=C/C=C\c1ccco1 780276146 ZQAXKARYQCUJKL-YPYHXCMGSA-N 248.673 2.834 30 20 BFED Fc1cc(NN=C[C@H]2CC=CCC2)ccn1 781133432 VJXVCJPEJSSOPC-JTQLQIEISA-N 219.263 2.975 30 20 BFED C=C[C@](C)(CC)C(=O)OCCCOCC 785757475 KGOHMSPAYVWBTQ-GFCCVEGCSA-N 214.305 2.559 30 20 BFED CC(=NNc1ccc(C#N)cc1)c1coc(C)n1 788991725 PDYSTSALFRHGAJ-UHFFFAOYSA-N 240.266 2.691 30 20 BFED CC[C@H](C)NN=Cc1ccc(N2CCCCC2)o1 790183934 PNMJREMVHDBIGX-LBPRGKRZSA-N 249.358 2.992 30 20 BFED CC[C@H](NN=C/C(C)=C/c1ccccc1)C(=O)O 793071951 JAJRQQFUXFTJOJ-ZJQWOEHUSA-N 246.310 2.529 30 20 BFED C#CCN(CC#CC)C(=O)[C@@H]1CCCC[C@@H]1CC 793574727 DOTXWOVZQGDNFD-LSDHHAIUSA-N 245.366 2.688 30 20 BFED CC(C)n1nccc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 794526125 HQCVSSPNPSUEGN-OBJOEFQTSA-N 246.358 2.576 30 20 BFED CC#CCOC(=O)c1cnc2c(F)cccc2c1 795841754 XXPPCGSHUJRMHW-UHFFFAOYSA-N 243.237 2.554 30 20 BFED N#Cc1ccc(C(=O)OCc2ccsc2)o1 796922966 PWYDZGJHEGDKLK-UHFFFAOYSA-N 233.248 2.570 30 20 BFED CC(C)=NNc1ccc([N+](=O)[O-])cc1C 807991503 YHFCNZJWUWUYNY-UHFFFAOYSA-N 207.233 2.711 30 20 BFED C#CCSc1nc(NCC)c2ccccc2n1 809314641 PKIUTWQYZJUKHL-UHFFFAOYSA-N 243.335 2.787 30 20 BFED C#CCON=Cc1ccc(C(C)C)c([N+](=O)[O-])c1 812236554 RRZDVZZSUXZCDF-UHFFFAOYSA-N 246.266 2.702 30 20 BFED C#CCCCNC(=O)N1CC2(CCC2)[C@@H]1C(C)C 813663380 SXIUYTSPSBNOAE-ZDUSSCGKSA-N 248.370 2.620 30 20 BFED C1CCN(CCNN=C2CC[C@H]2C2CCC2)CC1 814808122 CVCTXKJHVADIID-AWEZNQCLSA-N 249.402 2.628 30 20 BFED c1cc2c(o1)CCCC2=NNC1CCCC1 814832520 HFAWPELKONTMQU-UHFFFAOYSA-N 218.300 2.852 30 20 BFED C#CCOC(=O)c1ccc(C(C)C)nc1CC 815354663 YQHFZPTVYJSHBT-UHFFFAOYSA-N 231.295 2.557 30 20 BFED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1O 818355341 CZRMPBUAEQVHAA-JBLDHEPKSA-N 248.301 2.874 30 20 BFED C=C(CC)CNC[C@H](O)c1cccc(Cl)c1 819356607 HJBAWWGYESLIOD-ZDUSSCGKSA-N 239.746 2.929 30 20 BFED N#CCCNc1ccc(N2CCCC2)c(F)c1 819415492 DQCRDLITBJSMEM-UHFFFAOYSA-N 233.290 2.751 30 20 BFED C=CCCCCNC(=O)C1(C)CC(F)(F)C1 822026052 QTBJKSORNWERJG-UHFFFAOYSA-N 231.286 2.894 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1F 822700844 SDVUCDHPNYPIEB-QJPTWQEYSA-N 227.323 2.986 30 20 BFED C#Cc1cccc(CN[C@H]2CCO[C@@H](CC)C2)c1 825227012 PARGAXRGLLQNOQ-HOTGVXAUSA-N 243.350 2.715 30 20 BFED CCC[C@H](NC(=O)C#CC(C)C)c1ccccn1 826136081 ZTSWZLBNDICZDX-AWEZNQCLSA-N 244.338 2.698 30 20 BFED C#C[C@H](CC)NC(=O)c1c(C)cc(F)cc1C 834381501 OJKSRMINNBFPEN-GFCCVEGCSA-N 233.286 2.584 30 20 BFED C[C@H]1CCCC1=NN[C@@H](C)C(F)(F)F 834999011 ASIAUPGWCVZEJQ-BQBZGAKWSA-N 208.227 2.703 30 20 BFED C#CCCOc1ccc(C(=O)O[C@@H](C)C=C)cc1 835329183 ZOWWVXNZTMCZAN-LBPRGKRZSA-N 244.290 2.820 30 20 BFED C=C[C@H](OC(=O)c1cc2n(n1)CCC2)C(C)(C)C 835390155 BERMCSCCIVHBTR-LBPRGKRZSA-N 248.326 2.587 30 20 BFED CC/C(C)=C\C(=O)OC1(CC#N)CCC1 835400220 RGUIRCFBRLGSKI-KTKRTIGZSA-N 207.273 2.722 30 20 BFED C=CCONC(=O)c1ccc(C)c(C)c1Cl 837047633 CKUIUXFDLORAIK-UHFFFAOYSA-N 239.702 2.804 30 20 BFED CCON(Cc1ccccc1)C(=O)C(C)(C)C#N 837205855 KNMQHIOONFGVFZ-UHFFFAOYSA-N 246.310 2.516 30 20 BFED C=CCC(F)(F)C(=O)N[C@@H](C1CCC1)C1CC1 837240782 JMTLYCSCZGFBCU-NSHDSACASA-N 243.297 2.893 30 20 BFED CC(C)CC[C@H](C)NC(=O)C#CC(C)(C)C 837324671 JJXIEAGOQQLYKA-LBPRGKRZSA-N 223.360 2.977 30 20 BFED Cc1ccc(O)c(NC(=O)C#CC(C)(C)C)c1 837497631 CGFSFVZTDGOZTH-UHFFFAOYSA-N 231.295 2.689 30 20 BFED CN(C(=O)C#CC1CC1)C(C)(C)c1ccccc1 837608259 KXCQUKKAMDJCRF-UHFFFAOYSA-N 241.334 2.794 30 20 BFED C=CCCCCOC(=O)[C@]1(C)CCCCO1 838435768 UKMVTSVRCQOMAX-ZDUSSCGKSA-N 226.316 2.845 30 20 BFED C#CCC[C@@H](C)OC(=O)c1cccc(F)c1F 839035980 OTFMZQRRFZMLTI-SECBINFHSA-N 238.233 2.924 30 20 BFED Cc1cc(C)nc(NN=C2CCC[C@@H]3C[C@H]23)n1 841603899 UTICDQJLQNPTKJ-MNOVXSKESA-N 230.315 2.681 30 20 BFED C#CC1CCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 843701333 IAEJOZVUOHKZCZ-UONOGXRCSA-N 247.382 2.931 30 20 BFED C=C[C@H](C)ONC(=O)NC[C@@H](C)c1ccccc1 844284466 UDHBQFTWFQQHGL-NEPJUHHUSA-N 248.326 2.595 30 20 BFED Fc1ccc(CON=Cc2ccco2)cc1 849613694 JBKBPUHPWNRBEA-UHFFFAOYSA-N 219.215 2.969 30 20 BFED C=C(C)[C@H](C)OC(=O)Cc1occc1C 850946214 OTURHLCYNNNLCD-JTQLQIEISA-N 208.257 2.638 30 20 BFED C#CCN(CC#N)Cc1ccc(C2CC2)cc1 852008283 BHIZLNZFVBYTCW-UHFFFAOYSA-N 224.307 2.523 30 20 BFED C[C@H]1CCCCN1N=Cc1ccccc1O 853378342 CNOUHQJYRAPWEB-NSHDSACASA-N 218.300 2.601 30 20 BFED C=CCCONC(=O)c1c(C)cc(C)cc1C 856034122 HLXVBABIEQROCJ-UHFFFAOYSA-N 233.311 2.849 30 20 BFED C=CCC(C)(C)C(=O)NCc1cc(C)ccc1O 862756174 RZXYLRAQIBBUHX-UHFFFAOYSA-N 247.338 2.919 30 20 BFED C[C@@H](CC#N)Nc1cccc(Br)n1 865497788 RLGLXPJTYKPXGD-ZETCQYMHSA-N 240.104 2.558 30 20 BFED C=C[C@@H](C)NC(=O)/C=C/CCc1ccccc1 866502443 FXADYLSCEVZMPF-YQCJOKCJSA-N 229.323 2.866 30 20 BFED C#C[C@H](CC)NC(=O)/C=C\CCc1ccccc1 867770802 DNNOTWZSSYESAW-UZGISAJGSA-N 241.334 2.703 30 20 BFED COc1cccc(/C=N/[C@H]2CC23CCC3)c1O 871598535 SONABXQWWYBMMJ-DGGAMASNSA-N 231.295 2.762 30 20 BFED C#CCCCCCCN[C@@H](C)[C@H](OC)C1CC1 877572008 CPTNWCZQRPDYQV-ZFWWWQNUSA-N 237.387 2.973 30 20 BFED C=CC(C)(C)CC(=O)N[C@@H](CCCC)COC 878896219 VKCBQZSEGCAPJS-LBPRGKRZSA-N 241.375 2.910 30 20 BFED C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](SC)C1 878992556 PBUSLDSWKVTUCH-WDEREUQCSA-N 241.400 2.989 30 20 BFED C=CC(C)(C)CC(=O)NOC1CCCCC1 879567240 AGNZGXWJARJRHK-UHFFFAOYSA-N 225.332 2.969 30 20 BFED C=CC[C@H](CC)Nc1cc(C)nc2nc(C)nn12 882312016 HIHDYLUMFHBKIG-NSHDSACASA-N 245.330 2.508 30 20 BFED Cc1cc(F)ccc1NN=C1COC[C@H]1C 884441788 PJYLCFCACNUGKE-SECBINFHSA-N 222.263 2.568 30 20 BFED N#C[C@@H](NC(=O)CC1CCCC1)C1CCCC1 893702829 ARXNDJRACDPZSI-CYBMUJFWSA-N 234.343 2.765 30 20 BFED C=C1CC(c2noc(CN3[C@@H](C)CC[C@H]3C)n2)C1 896884424 QOXFAVANLHHQQD-PHIMTYICSA-N 247.342 2.876 30 20 BFED C=C1CN(C(=O)c2ccc(C(C)C)nc2C)C1 898703484 HYCHKTGQFIPLKX-UHFFFAOYSA-N 230.311 2.525 30 20 BFED Cc1cc(C)c(O)c(CN2CCC[C@@H](C#N)C2)c1 905719347 HICKPDCSADGJRP-ZDUSSCGKSA-N 244.338 2.745 30 20 BFED C=C[C@@H]1CCCCN1C(=O)/C=C(/C)Cl 907806771 HSRVLVWPIUANHZ-HSTULFTRSA-N 213.708 2.696 30 20 BFED Oc1cccc(/C=N/Cc2ccsc2)c1O 915980378 PSERDQNAUYKJSV-NTUHNPAUSA-N 233.292 2.778 30 20 BFED Cc1nc(C#N)c(NN=C[C@H]2CC=CCC2)o1 917555626 TUZXDBDUIOSHLH-JTQLQIEISA-N 230.271 2.609 30 20 BFED O=C(NO)c1ccc(OCC2CCCCC2)cc1 919682162 GCXCNHVUQKELET-UHFFFAOYSA-N 249.310 2.765 30 20 BFED Clc1cncc(NN=C/C=C\c2ccco2)n1 920375559 MINXGEVOUPQZHL-SROKDWKNSA-N 248.673 2.834 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCCC1CCC1 923158170 UQSCRSJRZNFTEG-STQMWFEESA-N 238.327 2.701 30 20 BFED C#CCN(Cc1cccc(C#N)c1F)C(C)C 932388545 NNTHSHGAUMCKCY-UHFFFAOYSA-N 230.286 2.541 30 20 BFED C=CCCCCCN1CC[C@H](OCC)C1 932972772 IJUSWVKDRLIUOG-ZDUSSCGKSA-N 211.349 2.844 30 20 BFED C=CCN(CCc1ccccc1)C(=O)[C@@H](F)CC 1120683010 AWRXBQYRPVTMBD-AWEZNQCLSA-N 249.329 2.992 30 20 BFED C=C[C@H](CC)OC(=O)[C@@H]1CCOC(C)(C)C1 1122783053 VHLVYTPUKOJAJS-GHMZBOCLSA-N 226.316 2.699 30 20 BFED C=C(CC)C(=O)N[C@@H](C)COc1ccc(C)cc1 1263721229 MCFRZMMIIFIXLW-ZDUSSCGKSA-N 247.338 2.845 30 20 BFED CCC(=NNCC1CCOCC1)c1ccccc1 1322944047 KYSPZELIZIFWKC-UHFFFAOYSA-N 246.354 2.817 30 20 BFED CCN(C(=O)c1csc(C#N)c1)C1CCC1 1324692565 JFTOGRPEOYENAR-UHFFFAOYSA-N 234.324 2.634 30 20 BFED C=CCCC(=O)N1CC(c2ccc(F)cc2)C1 1324744794 ANLMCRQWGCHSMH-UHFFFAOYSA-N 233.286 2.718 30 20 BFED N#Cc1cccc(C#N)c1N1CCCC(F)(F)C1 1326764269 HRSRJXQMRBDQIV-UHFFFAOYSA-N 247.248 2.665 30 20 BFED C=CCCC(=O)N1CCC[C@@H]1CCC=C 1336758958 IZKVQGQGIQGJGC-LBPRGKRZSA-N 207.317 2.910 30 20 BFED CC(C)NC(=S)NN=C1CC2(CCCC2)C1 1337761828 HDAIZZSTOOTBGA-UHFFFAOYSA-N 239.388 2.569 30 20 BFED C#Cc1ccc(NCCC2CCC2)nc1 1337889311 YXEPGAXYPCJQJT-UHFFFAOYSA-N 200.285 2.665 30 20 BFED C#CCCCCNC(=O)N1CCC[C@H]1CCC=C 1348415552 LXQVSCVAZIFUDY-CQSZACIVSA-N 248.370 2.930 30 20 BFED C=C(C)CCC(=O)Nc1cccc2nonc12 1353680411 VSUJTTUJOOAPQU-UHFFFAOYSA-N 231.255 2.518 30 20 BFED CC[C@H](C#N)N(CC)C(=O)CCC(C)(F)F 1355089183 RLJLUIQBMSVISR-SECBINFHSA-N 232.274 2.572 30 20 BFED C=C(C)[C@@H](C)OC(=O)c1cccc(C(=O)O)c1 1588530385 ZWTKUKTXIQZQAX-SECBINFHSA-N 234.251 2.506 30 20 BFED C=C[C@@H](Nc1ccc(O[C@@H](C)CC)cc1)C(=O)O 1602821319 ZNMRDEBDGXQXKJ-GXFFZTMASA-N 249.310 2.915 30 20 BFED C=CC[C@H](N[C@@H]1CC[C@H]2CCC[C@H]2C1)C(=O)O 1602842714 RHTDZGSAQMLXNJ-XQHKEYJVSA-N 237.343 2.574 30 20 BFED C=CCC1(NC/C=C(/C)C(=O)O)CCCCC1 1602851219 DZXZMBPFWFOIER-GHXNOFRVSA-N 237.343 2.886 30 20 BFED C=CCC[C@H](C)N[C@H]1CCCC[C@H]1C(=O)O 1602856626 DOINBGAXHDCRPA-TUAOUCFPSA-N 225.332 2.574 30 20 BFED N#CCCS[C@H](C(=O)O)c1ccc(F)cc1 1608184632 QTXJHBVDRHUYCP-JTQLQIEISA-N 239.271 2.598 30 20 BFED Cc1ccc(-c2ncnc(C#N)c2F)cc1F 1898217322 VHTMSHSOAHWCTL-UHFFFAOYSA-N 231.205 2.602 30 20 BFED C=CCOC(=O)[C@H](CC)c1ccccc1 1676338 VFIPULGQSAEZRG-GFCCVEGCSA-N 204.269 2.909 30 20 BFED CC(=O)Nc1cccc([C@H](C)NCCCC#N)c1 37900911 BIWKLJNHCILLSY-NSHDSACASA-N 245.326 2.599 30 20 BFED CC(C)CCN(C)CCOc1ccc(C#N)cc1 42338326 WTOCKLDHARVYHD-UHFFFAOYSA-N 246.354 2.915 30 20 BFED Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)no1 44693174 RCIROSHYAKWKJW-NSHDSACASA-N 241.294 2.706 30 20 BFED CC(C)/C(O)=N/S(=O)(=O)CC1CCCCC1 49514243 GMSCKUSITBNCBF-UHFFFAOYSA-N 247.360 2.509 30 20 BFED N#CCC[C@H](C#N)CN1CCCCCCC1 72589580 HISFFCLUMHIVNK-CYBMUJFWSA-N 219.332 2.696 30 20 BFED C[C@H]1CCC[C@@H]1Nc1cccc(C#N)n1 80119259 ITKDZPZFCQRGEC-ONGXEEELSA-N 201.273 2.554 30 20 BFED N#CC1(C(=O)NC2CCCCCCC2)CCC1 83794886 KYKIBMVNPOGTAH-UHFFFAOYSA-N 234.343 2.909 30 20 BFED Cc1cscc1CNc1ncccc1C#N 87309579 SYBQJHGLIIQKIV-UHFFFAOYSA-N 229.308 2.935 30 20 BFED C=CCCOC(=O)c1ccc(-n2cccn2)cc1 103650494 MVKYDSKUWAPQMX-UHFFFAOYSA-N 242.278 2.605 30 20 BFED COCCCSCc1ccc(C#N)cc1 111659142 KUKCXQDDZXYXMS-UHFFFAOYSA-N 221.325 2.828 30 20 BFED COCCCCCOc1ccc(C#N)cc1 116610046 AXMBTDLQLGNDLH-UHFFFAOYSA-N 219.284 2.754 30 20 BFED CC/C=C(/C)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 116808776 JXARXQYHGSDVSO-FSLDZVGBSA-N 234.343 2.931 30 20 BFED C#CCCCCC(=O)N[C@H](C)CC(C)C 120043769 ZVYMYMXNVNJESP-GFCCVEGCSA-N 209.333 2.731 30 20 BFED C=CCN(C)Cc1cc(=O)oc2cc(C)ccc12 121260428 CNEVEWFTMFSYDQ-UHFFFAOYSA-N 243.306 2.719 30 20 BFED C=CCN(C)[C@@H](C)C(=O)Nc1ccc(C)cc1C 121452480 UVMPDDVHEDRUDS-ZDUSSCGKSA-N 246.354 2.748 30 20 BFED C=C(C)CNCc1cnn(-c2ccccc2)c1 122545473 KQNZIDPLJDVKOT-UHFFFAOYSA-N 227.311 2.538 30 20 BFED C=CCOC(=O)c1ccnc2ccccc12 123975187 RKYSHGAYEWAUFS-UHFFFAOYSA-N 213.236 2.578 30 20 BFED N#Cc1ncccc1NCCc1cccs1 129840476 MGPZDIINNVMRHF-UHFFFAOYSA-N 229.308 2.669 30 20 BFED COc1ccc(C#N)cc1CN1CCCCCC1 130385065 LEZWAZWBSLYACT-UHFFFAOYSA-N 244.338 2.943 30 20 BFED C=CCN1CCC[C@H]1c1ccc(COC)o1 130756579 OJXFBHNPYMBOGE-LBPRGKRZSA-N 221.300 2.749 30 20 BFED C=C(C)COCCNc1ccc(C#N)cc1 131351908 DULHHQQWUYNTJG-UHFFFAOYSA-N 216.284 2.563 30 20 BFED C=C(Cl)CNCC(C)(C)CCC#N 131656100 XXEZCFJUJSAACS-UHFFFAOYSA-N 200.713 2.658 30 20 BFED Cc1ccc(OCCCC#N)cc1[N+](=O)[O-] 131737041 IBBDZSOHDRTEIX-UHFFFAOYSA-N 220.228 2.586 30 20 BFED C=C[C@H](C)N[C@H]1C[C@@H](OC)C1(CC)CC 132834056 ITYCJAHDZLCFMB-SDDRHHMPSA-N 211.349 2.744 30 20 BFED CC[C@@H]1CC[C@H](C)N1c1cc(C#N)ccn1 136152823 SSIHGNAKJXPOHT-CMPLNLGQSA-N 215.300 2.721 30 20 BFED CC[C@](C)(C#N)C(=O)Nc1ccc(CC#N)cc1 136236533 KABAIXMGBGPAST-CQSZACIVSA-N 241.294 2.631 30 20 BFED N#Cc1cccc(NC(=O)N[C@@H]2C=CCCC2)c1 152521723 GUPKSNAZYGXXMQ-GFCCVEGCSA-N 241.294 2.788 30 20 BFED C=C(C)CNC(=O)NCc1ccc(CC)s1 156579155 DOSPHMPRZOEAMP-UHFFFAOYSA-N 238.356 2.686 30 20 BFED CC#CCN(C)Cc1cccc(Cl)c1 157383837 AUVOFOMYHSVUES-UHFFFAOYSA-N 207.704 2.795 30 20 BFED C=CCCCOc1ccc2c(c1)NC(=O)CC2 159076611 WRUVHENLEINHCX-UHFFFAOYSA-N 231.295 2.916 30 20 BFED Cc1ccc2oc(C(=O)NC3(C#N)CC3)cc2c1 160755149 IZBRSKWEIHHNOF-UHFFFAOYSA-N 240.262 2.527 30 20 BFED C=CCN(C)C(=O)c1ccccc1C(F)(F)F 161806513 VMLLUACUMZDSAW-UHFFFAOYSA-N 243.228 2.963 30 20 BFED CC[C@@H](CSC)Nc1ncccc1C#N 162141781 IUKUVPZQZANSMD-JTQLQIEISA-N 221.329 2.507 30 20 BFED Cc1ccc(C(C)(C)C(=O)N[C@H](C)CC#N)cc1 171293863 WXDHUPJRJLVENT-GFCCVEGCSA-N 244.338 2.691 30 20 BFED C=C(C)COC(=O)[C@H](C)c1cccs1 172425420 CZUQKFISKZUXIP-SECBINFHSA-N 210.298 2.971 30 20 BFED C#CCCCNC(=O)[C@H](CC)c1ccccc1 172938378 WWWXDUVJYGFBMC-CQSZACIVSA-N 229.323 2.710 30 20 BFED C#CCCCNC(=O)NCC(C)(C)CC(C)C 175454840 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C#CCCCN[C@@H](CC)c1ccc(F)cn1 226606351 XPBAENSIARDTNU-LBPRGKRZSA-N 220.291 2.675 30 20 BFED C#CCCCNC(=O)[C@H]1CCCc2ccccc21 231575500 FIQAQJUGOGBWPY-HNNXBMFYSA-N 241.334 2.636 30 20 BFED C[C@@H]1C[C@@H]2CCCC[C@H]2N1CCCC#N 247518972 NESOQWSTYBQBOG-FRRDWIJNSA-N 206.333 2.943 30 20 BFED C[C@H](CC#N)N(C)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 251472686 DTLJXENGSWMAFR-MROQNXINSA-N 234.343 2.573 30 20 BFED Oc1cccc(C=Nc2ccccc2)c1O 252460818 IKCNVDHSEBASIB-UHFFFAOYSA-N 213.236 2.848 30 20 BFED Cc1cc(F)ccc1NC(=O)N(C)C[C@H](C)C#N 263686605 QATMCCZBQWHRFT-SECBINFHSA-N 249.289 2.758 30 20 BFED C=C1CCN(C(=O)c2sccc2C)CC1 264153513 JAVCKNOMXUYYLK-UHFFFAOYSA-N 221.325 2.849 30 20 BFED C=C1CCN(C[C@H](O)c2ccccc2F)CC1 264430931 CJYRWZODYLSEJV-AWEZNQCLSA-N 235.302 2.511 30 20 BFED C=C(Cl)CN(C[C@@H](C)O)c1ccccc1 266047846 YBSQQVNGZJQCLF-LLVKDONJSA-N 225.719 2.626 30 20 BFED C[C@@H](NC(=O)[C@H](C)C1CC1)c1ccc(C#N)cc1 267038916 HMEYWYVQJNKGDQ-GHMZBOCLSA-N 242.322 2.782 30 20 BFED CC[C@H]1CCN(Cc2ccc(OCC#N)cc2)C1 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245.326 2.631 30 20 BFED Cc1sccc1C(=O)N[C@@](C)(C#N)C(C)C 294423801 FJOLATMVVNEPNC-LBPRGKRZSA-N 236.340 2.725 30 20 BFED C#Cc1cccc(NC2CCN(C3CC3)CC2)c1 297659256 NUYAEVKXSKCWHD-UHFFFAOYSA-N 240.350 2.707 30 20 BFED C=CCN(C(=O)NCC1=CCCCC1)C1CC1 297819444 ZGAQDXOXWWCPKG-UHFFFAOYSA-N 234.343 2.847 30 20 BFED CC(C)(CCC#N)CNC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 300580714 HMTQRWGXCIUEEW-WUHRBBMRSA-N 232.371 2.950 30 20 BFED C#C[C@@H](Nc1ncnc2ccsc12)C(C)C 300949879 POSNOQADQSSTBC-SECBINFHSA-N 231.324 2.761 30 20 BFED C[C@]1(CO)CCC[C@H]1Nc1cccc(F)c1C#N 301350046 JOOWCXSGSSEZRK-ZIAGYGMSSA-N 248.301 2.660 30 20 BFED C=C(C)CN(CC)c1cc(NCC2CC2)ncn1 301842373 ZUMGSQQECYXSAH-UHFFFAOYSA-N 246.358 2.701 30 20 BFED C=CCN(CCCO)[C@@H]1CCc2ccccc21 303396733 IEGPRTQQXKBAPA-OAHLLOKOSA-N 231.339 2.544 30 20 BFED C#CCCCCN[C@@H]1CCC[C@@H]1CCOC 309403777 ALWYQZZUKPPQAX-ZIAGYGMSSA-N 223.360 2.585 30 20 BFED C#C[C@H](N[C@H]1CCC[C@H](OC)C1)C(C)(C)C 309558461 KGFDRMMGSOXNPI-AVGNSLFASA-N 223.360 2.582 30 20 BFED 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AXHFZVFEBDJTDG-MELADBBJSA-N 241.338 2.756 30 20 BFED C=CCCCN1CCC(C(F)F)CC1 361698469 IEKTVOSSKUALBV-UHFFFAOYSA-N 203.276 2.930 30 20 BFED C=C[C@@H]1CCCCN1c1ncc(C)s1 362840614 SXRYTQWZLJHISI-SNVBAGLBSA-N 208.330 2.996 30 20 BFED C[C@@H]1CCC[C@H](Nc2cc(C#N)ncn2)[C@@H]1C 379739324 FTSVMOMMAXRMLQ-FOGDFJRCSA-N 230.315 2.585 30 20 BFED CCC[C@@H](CNc1ccc(CC#N)cc1)OC 386511738 XGVPGMBTIIVIQH-AWEZNQCLSA-N 232.327 2.980 30 20 BFED C=CC[C@@H](CC)NC(=O)c1ccc(C)cc1O 393818142 MSXPLNDYSOALDR-LLVKDONJSA-N 233.311 2.785 30 20 BFED Cc1cc(C#N)cc(NCCC2(O)CCC2)c1 396762306 LTYDNFIOHHILDM-UHFFFAOYSA-N 230.311 2.584 30 20 BFED CC[C@]1(C)CCN(C(=O)C2(C#N)CC(C)C2)C1 399269982 CMTJTJKKQLWBCH-HRDQMINSSA-N 234.343 2.575 30 20 BFED CC(C)O[C@H]1CCCN(CC2(CC#N)CC2)C1 404706136 PNZNKQMJXAXIIN-ZDUSSCGKSA-N 236.359 2.570 30 20 BFED FC(F)(F)c1ccc(C#C[C@@H]2CCNC2)cc1 404869739 XPBXTGFEQAUGOO-LLVKDONJSA-N 239.240 2.666 30 20 BFED C[C@H](CCC#N)N1CCC2(CCOCC2)CC1 411767251 NKSIGOUQLXGEKS-CYBMUJFWSA-N 236.359 2.571 30 20 BFED CC(C)N1CCCC[C@@H]1CSCCC#N 413016586 WLIMSUPMRJSMHK-GFCCVEGCSA-N 226.389 2.896 30 20 BFED COC(=O)c1cc(CSCCC#N)cs1 413020984 YAAZNGAXBAPRCU-UHFFFAOYSA-N 241.337 2.682 30 20 BFED CCO[C@H]1C[C@@H](NCC(C)(C)CC#N)C1(C)C 414168773 RBZCFWHGXUBNKS-NEPJUHHUSA-N 238.375 2.719 30 20 BFED C[C@H](NCC(C)(C)CC#N)c1cccnc1 414174923 YNWBCPONLJXVMA-NSHDSACASA-N 217.316 2.672 30 20 BFED C=CCCCC[C@@H](C)NCC1(N(C)C)CC1 417350674 AXORRASHDNPVOV-CYBMUJFWSA-N 224.392 2.805 30 20 BFED CC[C@@H]1CC[C@H]1NCc1ccc(C#N)s1 421349644 IYZBDGYWQZNKCJ-BXKDBHETSA-N 220.341 2.898 30 20 BFED C[C@H](N)C[C@H](C)N[C@@H](CCC#N)c1ccccc1 422996540 MLBUWKDJFWHGAX-YDHLFZDLSA-N 245.370 2.747 30 20 BFED C=CCC[C@H](CC)NCC1(C)CCNCC1 423325972 KGSWAQHSHFNTQX-ZDUSSCGKSA-N 224.392 2.711 30 20 BFED COCC(C)(C)CN(C)Cc1cccc(C#N)c1 426032833 CKKQTSANQTWJSS-UHFFFAOYSA-N 246.354 2.663 30 20 BFED C=CC(C)(C)CN[C@H]1CCN(CC)C[C@H]1C 449484584 IBTPWVDUCUMHQD-OLZOCXBDSA-N 224.392 2.519 30 20 BFED N#CCCN(CC1CC1)CC1CC(F)(F)C1 450462964 KYYDHAHUZCLPKJ-UHFFFAOYSA-N 228.286 2.657 30 20 BFED C[C@@H]1C[C@@]1(C#N)C(=O)N1CCC[C@H](C(C)(C)C)C1 451378733 PFSGLQDRUSIDHR-XUJVJEKNSA-N 248.370 2.821 30 20 BFED C=C(C)[C@H](CC(=O)N[C@H](C)C(C)(F)F)OCC 452457587 NEOPMTJBRVAPCY-ZJUUUORDSA-N 249.301 2.518 30 20 BFED C=CCC1(CNC(=O)[C@@]2(C#N)C[C@@H]2C)CCCC1 456483436 HFQYLJRVGPQINX-SWLSCSKDSA-N 246.354 2.789 30 20 BFED CC[C@@H](C#N)NC(=O)[C@H]1CCCC[C@@H]1CC 476765074 LXTJTVTYQQWNMK-SRVKXCTJSA-N 222.332 2.621 30 20 BFED CCc1cccc(NC(=O)[C@H](C)C#N)c1CC 489490809 OGHPSYQSADLLDA-SNVBAGLBSA-N 230.311 2.910 30 20 BFED C=C1CCN(c2nc(C(C)(C)C)ns2)CC1 489541628 BGBBQEPFKVQUCG-UHFFFAOYSA-N 237.372 2.992 30 20 BFED C=CCn1cccc1C(=O)Nc1ccc(C)nc1 489963923 LTEYUIILQHVLFQ-UHFFFAOYSA-N 241.294 2.630 30 20 BFED C#CCN(C(=O)NC[C@@H]1C[C@@H]1C)C1CCCCC1 490575085 KAVUAOKEPWQZLQ-STQMWFEESA-N 248.370 2.620 30 20 BFED C#CCN(C)C(=O)N[C@H]1CCC[C@@H]1CCCC 491621537 IADQYNAPKBJKHL-STQMWFEESA-N 236.359 2.620 30 20 BFED C#C[C@@H](CC)/N=C\c1cc(Cl)ccc1O 491696289 IYXVJAYPUNDIHQ-KSSSLANASA-N 221.687 2.876 30 20 BFED C#C[C@H](CCC)NC(=O)N1CC(C)(C)C[C@@H]1C 491701366 HEUYGWQVBVYUNQ-NWDGAFQWSA-N 236.359 2.618 30 20 BFED CC[C@@H](CC#N)NC(=O)C1(C(F)F)CCCC1 521312345 VZTWBZUFJUQPQX-VIFPVBQESA-N 244.285 2.620 30 20 BFED N#C[C@H]1CC[C@@H](NCc2ccncc2Cl)C1 527721451 OFUADNNTPPZTAY-GXSJLCMTSA-N 235.718 2.517 30 20 BFED C[C@H](N(C)CCCSCC#N)C(C)(C)C 533249051 ITPSQMJRLQTFTC-NSHDSACASA-N 228.405 3.000 30 20 BFED CC[C@@H](CC(=O)NC(C)(C)C#N)c1ccccc1 543758791 TUWYECAPMLORAX-LBPRGKRZSA-N 244.338 2.989 30 20 BFED CC1=C(C)C[C@H](C(=O)NCCCC#N)CC1 567737813 ZDEZLOGJBSZBRR-GFCCVEGCSA-N 220.316 2.543 30 20 BFED CC[C@@H]1C[C@H](C)CN1Cc1ccc(C#N)cn1 579370001 URVINCVIELCWGG-SMDDNHRTSA-N 229.327 2.574 30 20 BFED CC[C@H](C#N)C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C 593741577 RKKZRAVECMVBKJ-WOPDTQHZSA-N 236.359 2.867 30 20 BFED N#C[C@H]1CCC[C@@H](NCCCc2ccco2)C1 595093879 PCOUEXGDKHDGGT-QWHCGFSZSA-N 232.327 2.884 30 20 BFED N#Cc1ccc(CCN[C@H]2CCC[C@@H]3C[C@H]23)cc1 595537654 FABNISCHQGUYHW-PMPSAXMXSA-N 240.350 2.879 30 20 BFED CCCC[C@H](C)N(C)C[C@H](O)CC(C)(C)C#N 598616974 ONLWFVWWVDOGEZ-QWHCGFSZSA-N 240.391 2.798 30 20 BFED C[C@H](c1noc(CC(C)(C)C#N)n1)c1ccco1 598681230 JMIJFBVWEKNNTQ-VIFPVBQESA-N 245.282 2.907 30 20 BFED C=CCCC[C@@H](C)NC[C@H](O)CC(C)(C)C#N 598724676 QLOLIPBLOXZCPG-CHWSQXEVSA-N 238.375 2.622 30 20 BFED CC1(C)C[C@@H]1CNC(=O)c1ccccc1CC#N 601160018 PUMZILNBSAIENW-GFCCVEGCSA-N 242.322 2.529 30 20 BFED CCCCN(C(=O)CCCC#N)c1ccccn1 602406106 ZHZGGOGRSGZXOU-UHFFFAOYSA-N 245.326 2.909 30 20 BFED CC(C)N(CC(F)F)C[C@@H](C)CCC#N 602482610 DVAMHOYMZQUPHJ-JTQLQIEISA-N 218.291 2.902 30 20 BFED C[C@@H](CCC#N)CN1CCc2c(O)cccc2C1 602725533 QTMRXYLTNYPNTM-LBPRGKRZSA-N 244.338 2.690 30 20 BFED C[C@H](CC#N)NCC[C@@H](C)OCc1ccccc1 602868499 BUIYSJARFSNYIK-ZIAGYGMSSA-N 246.354 2.874 30 20 BFED C[C@H](CC#N)NCCSC1CCCCC1 602869898 JPXYSBOAVSGCOR-LLVKDONJSA-N 226.389 2.944 30 20 BFED CC1(F)CCN(CC2(CC#N)CC2)CC1 602993158 RQTXRAJWVQAVDY-UHFFFAOYSA-N 210.296 2.504 30 20 BFED Cc1ccc(SCC2(CC#N)CC2)nn1 603319347 PGHAYJNMPSHNRW-UHFFFAOYSA-N 219.313 2.571 30 20 BFED C=C(C)CN1CCC[C@H](OCC(F)(F)F)C1 606440022 QOMOMQSOZNFZPQ-JTQLQIEISA-N 237.265 2.606 30 20 BFED C=CCC(C)(C)C(=O)NCCC(C)(C)F 618412022 GDLLIHDOXXVHGI-UHFFFAOYSA-N 215.312 2.843 30 20 BFED C=CCCO[C@H](C)C(=O)Nc1cc(C)cc(O)c1 629631871 KQNDVTOOACTOEN-LLVKDONJSA-N 249.310 2.620 30 20 BFED C=C[C@H](CO)NC/C=C/c1cc(C)c(C)cc1C 631177750 QXSUPHMCNSTGMH-FYCOFBDGSA-N 245.366 2.762 30 20 BFED C=CCCOCc1nc([C@H](CCC)OC)no1 651329935 CQGZUIJVBOLBDQ-JTQLQIEISA-N 240.303 2.650 30 20 BFED C=CC[C@H](C)NC(=O)NCC[C@@H]1C[C@H]2C=C[C@H]1C2 654645869 JMEGKNRTINMAOK-XDQVBPFNSA-N 248.370 2.853 30 20 BFED C=CC[C@@H]1CCCN(CCCCOC)C1 661381295 ZJZZPGVHFNKBDC-CYBMUJFWSA-N 211.349 2.701 30 20 BFED C=CC[C@H]1CCCN(C[C@@H]2C[C@H]3CC[C@H]2O3)C1 661386912 WNRWKIPJEGBWMV-BYNSBNAKSA-N 235.371 2.842 30 20 BFED C=C(C)CN(CC)C(=O)C1CC2(CC2)C1 666259591 JWPCFSVKFMWSHK-UHFFFAOYSA-N 207.317 2.601 30 20 BFED C=CC[C@H](C)NC(=O)Cc1cc(C)cc(C)c1 668854924 QFNVGNSKJOSZBT-ZDUSSCGKSA-N 231.339 2.927 30 20 BFED COc1ccc(C#N)cc1CN1CCC(F)CC1 689902253 CZQZWXCRIYVJSD-UHFFFAOYSA-N 248.301 2.501 30 20 BFED Cc1cocc1C(=O)Nc1cccc(C#N)c1 705267407 JPKLIYBFSVJWSU-UHFFFAOYSA-N 226.235 2.712 30 20 BFED Cc1ccsc1C(=O)/C=C/c1cnn(C)c1 733748867 LOKSUZBARDQMJG-ONEGZZNKSA-N 232.308 2.686 30 20 BFED CC(=NNc1cccnn1)c1ccc(F)cc1C 735976548 JWQAYOFNTXATGI-UHFFFAOYSA-N 244.273 2.760 30 20 BFED C#CCOC(=O)/C=C(\CC)c1ccc(C)cc1 744039937 GYTKVLVLJZXYEA-ACCUITESSA-N 228.291 2.965 30 20 BFED C#CCCCOC(=O)c1cc(F)c(F)cc1F 747214064 BLSQCIOHMXGTRV-UHFFFAOYSA-N 242.196 2.674 30 20 BFED C=C(Cl)CN(C)Cc1cccc(O)c1 749114336 BUNWOISLTSOBEM-UHFFFAOYSA-N 211.692 2.577 30 20 BFED CC[C@](C)(C#N)NC(=O)C=C1CCCCC1 749612110 JASHQFUSCIOEHM-CYBMUJFWSA-N 220.316 2.685 30 20 BFED CCCON=CC(=O)Nc1ccccc1Cl 754276861 SINQVEVOZMBWAS-UHFFFAOYSA-N 240.690 2.691 30 20 BFED C=C[C@H](C)NC(=O)C=C1CCC(C)CC1 757014527 ZFHMTXGMRPVVAD-DTIOYNMSSA-N 207.317 2.814 30 20 BFED Clc1ccc2c(c1)CC(=NNC1CC1)C2 758132292 DLJQXYCJCRFNSP-UHFFFAOYSA-N 220.703 2.547 30 20 BFED CC#CCCOC(=O)COc1c(C)cccc1C 760287859 RPPYERMMKRFDDC-UHFFFAOYSA-N 246.306 2.639 30 20 BFED C#CCCc1noc(-c2ccccc2Cl)n1 762006991 NWLMLTGUPYFZMV-UHFFFAOYSA-N 232.670 2.956 30 20 BFED C#CCCN1CCCc2cc(F)cc(F)c21 764229445 BPGGNMQFLWGKSR-UHFFFAOYSA-N 221.250 2.741 30 20 BFED C#CCCN(CC)c1ccc(F)c(F)c1 764234305 QGUQSXOGJUUUJT-UHFFFAOYSA-N 209.239 2.814 30 20 BFED C#CCCN(Cc1occc1C)CC(F)(F)F 768533697 JRZFEXWESGTZRT-UHFFFAOYSA-N 245.244 2.976 30 20 BFED C#CCN(CC#CC)Cc1ccc([C@@H]2C[C@H]2C)o1 769450841 BAJAXDRXDQTNEU-UKRRQHHQSA-N 241.334 2.862 30 20 BFED O=[N+]([O-])c1cccc(NN=C2CCCOCC2)c1 770599713 YUNWKFBJFDYFIM-UHFFFAOYSA-N 249.270 2.563 30 20 BFED C[C@@H](C#N)CNN=C1CCc2cc(Cl)ccc21 771095880 CFFLELFZGQZVMO-VIFPVBQESA-N 247.729 2.740 30 20 BFED C=C(CC)COC(=O)[C@@H]1OCCc2ccccc21 773534008 DOWAIEBPBXOAED-CQSZACIVSA-N 246.306 2.810 30 20 BFED CC(CCCC(F)(F)F)=NNc1cnccn1 774364684 URNVEECXYSATBS-UHFFFAOYSA-N 246.236 2.997 30 20 BFED CCOCCON=C1CC[C@H]1c1ccccc1 774435348 GJTHWLVUYPECFP-ZDUSSCGKSA-N 233.311 2.973 30 20 BFED C(=NOC1CCCC1)c1c[nH]c2ncccc12 774596475 GHXYBKJFGQDFPN-UHFFFAOYSA-N 229.283 2.856 30 20 BFED C#C[C@H](N[C@@H]1CC[C@H](C)C[C@H]1C)[C@H]1CCCO1 775575112 UZHMAFBIUPZEQH-XPABHHOTSA-N 235.371 2.582 30 20 BFED CCOc1ccc(C(=O)OCC2(C#N)CC2)cc1 775828710 ROLHAMJAOAKAGE-UHFFFAOYSA-N 245.278 2.546 30 20 BFED N#CC1(COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 775832027 VRQSDRSERZPPDU-SDDRHHMPSA-N 233.311 2.660 30 20 BFED CCC(CC)n1nc(C)cc1C(=O)O[C@@H](C)C#N 775949443 OJZLRXOEXNZRBB-JTQLQIEISA-N 249.314 2.622 30 20 BFED C/C=C/C=C\C(=O)OCCC(C)(C)C#N 776361011 HOPZZFYEHMQGSD-DEQVHDEQSA-N 207.273 2.602 30 20 BFED COc1ccnc(NN=C2CC[C@H](C)C[C@@H]2C)n1 783828727 RHAICAJPHJLQKV-UWVGGRQHSA-N 248.330 2.709 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccc[nH]1 785414609 QWUIKPCBUBWSOJ-ZWNOBZJWSA-N 220.316 2.794 30 20 BFED C#Cc1ccc(CN2CCC(OCC)CC2)cc1 788842340 FAMNEXNMCLORBU-UHFFFAOYSA-N 243.350 2.669 30 20 BFED C#C[C@@H](CCC)NC(=O)NCc1ccccc1C 791068715 AXQADKUNORSNGK-AWEZNQCLSA-N 244.338 2.596 30 20 BFED C#CCCCCCC(=O)NCCC1(C)CC1 791810678 LZBYGGHLCULECJ-UHFFFAOYSA-N 221.344 2.877 30 20 BFED C[C@@H]1CSC[C@@H]1/N=C/c1ccccc1O 794677806 YNZFTBISMRGEJI-RUKLEDKNSA-N 221.325 2.563 30 20 BFED C=CCNN=C(C)c1ccccc1Cl 794992977 NGKHGCLOSYKPNP-UHFFFAOYSA-N 208.692 2.840 30 20 BFED C=CCNN=Cc1c(Cl)ccc2cccnc12 794993483 CFWAFGMAMIYAJL-UHFFFAOYSA-N 245.713 2.998 30 20 BFED C=CCNN=CC1(CCOC)CCCCC1 794999825 QIAIOUPXZLOLCQ-UHFFFAOYSA-N 224.348 2.735 30 20 BFED C=CCCOC(=O)c1ccc2oc(C)nc2c1 795675724 MDUFVGKOAOYNFX-UHFFFAOYSA-N 231.251 2.869 30 20 BFED C=CCOCCOC(=O)Cc1ccccc1CC 797309186 BGIBOKJEPIBCTH-UHFFFAOYSA-N 248.322 2.537 30 20 BFED C[C@H](NCC1(CC#N)CC1)c1ccc(F)cc1O 797586788 MRSKFDCLOBHIST-JTQLQIEISA-N 248.301 2.876 30 20 BFED C#C[C@H](NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)C(C)C 799046453 KFXPTEUUNXHQCS-RDBSUJKOSA-N 247.382 2.999 30 20 BFED C#CCN(C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 805791819 QTDIAEOCGMELNM-LSDHHAIUSA-N 243.350 2.798 30 20 BFED C[C@H]1CC(=NNCC(F)F)c2ccccc21 807972128 NGWHTXQOYUSRKJ-QMMMGPOBSA-N 224.254 2.753 30 20 BFED CCc1cccc(C)c1NN=Cc1cnccn1 807987491 HSGATHMOLIUAPO-UHFFFAOYSA-N 240.310 2.793 30 20 BFED C=CCCCCOC(=O)[C@@H]1CC[C@H](CC)O1 811011513 ZZSSJSIXWFZIQM-RYUDHWBXSA-N 226.316 2.844 30 20 BFED CCC[C@@H](C)c1noc(CCCC#N)n1 812809851 BDXDDAGVDZKXAI-SECBINFHSA-N 207.277 2.819 30 20 BFED CC[C@H](C)NN=Cc1nc2c(s1)CCCC2 814913415 MNOWLGXGXTTXHW-VIFPVBQESA-N 237.372 2.744 30 20 BFED Cc1c(F)cccc1C(=O)OCC1(C#N)CCC1 817243797 PAGCOLICFMIDMT-UHFFFAOYSA-N 247.269 2.985 30 20 BFED C=CCCOC(=O)c1cc[nH]c1CCC 817269287 FSMMZCRUKBPJJS-UHFFFAOYSA-N 207.273 2.700 30 20 BFED N#Cc1ccc(CNN=CCC(F)(F)F)cc1 817325672 LXLWAKWLXUVACE-UHFFFAOYSA-N 241.216 2.586 30 20 BFED C=CCc1cccc(F)c1OCCO[C@H](C)C#N 818088038 TYLGTRVULQBDQR-LLVKDONJSA-N 249.285 2.862 30 20 BFED C#CCCCOc1cccnc1N1CC[C@@H](C)C1 820675862 KXNHOIMDGWASLG-CYBMUJFWSA-N 244.338 2.720 30 20 BFED 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BFED Cc1cc(C=NOCCC(F)(F)F)sn1 785461377 JOQKPBZFZMNCLU-UHFFFAOYSA-N 238.234 2.754 30 20 BFED N#Cc1ccccc1C=NNC1CCCCC1 786042175 MBTXSCYIVWPFMD-UHFFFAOYSA-N 227.311 2.814 30 20 BFED C[C@@H]1C[C@H]1c1ccc(C=NOC[C@H]2CCOC2)o1 788031449 VDFLOIWWUKHQEG-NTZNESFSSA-N 249.310 2.790 30 20 BFED CC(=NN[C@@H]1CCOC1)C1CCC(F)(F)CC1 788439630 MABFIIQJEOODJV-LLVKDONJSA-N 246.301 2.566 30 20 BFED CC1(C)C(=NNC2CC2)C[C@H]1Oc1ccccc1 789036330 DDFPBHRUTPUOKR-CQSZACIVSA-N 244.338 2.972 30 20 BFED CC(=NNCc1ccc(Cl)cc1)c1ncc[nH]1 790166927 YYKQGCRRRATMDT-UHFFFAOYSA-N 248.717 2.577 30 20 BFED Cn1cncc1C=NN1CCC(C(C)(C)C)CC1 790178765 KJWUCEPUAXZBBQ-UHFFFAOYSA-N 248.374 2.512 30 20 BFED FC(F)c1ccc(C=NN=c2cc[nH]cc2)cc1 794530149 KDPFUPWMESYGBC-UHFFFAOYSA-N 247.248 2.887 30 20 BFED Cc1ccccc1C=NNc1ncccc1F 794993333 MCVPKYWIWRVEOZ-UHFFFAOYSA-N 229.258 2.975 30 20 BFED C=CCC(C)(C)C(=O)OCCCCOC 796454523 FKFZCVAZXDGOCY-UHFFFAOYSA-N 214.305 2.559 30 20 BFED C#CCCCCNC(=O)N(C)C(C)(C)CC 798444791 XVAJWBSHDGZCKV-UHFFFAOYSA-N 224.348 2.620 30 20 BFED CCC(C)(C)NC(=O)c1ccc(C)c(C#N)c1 799294856 PJOMLBKOKPDBHL-UHFFFAOYSA-N 230.311 2.785 30 20 BFED Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)C2)cc1C#N 799372745 ZSAJGFRXFNQQAY-YGRLFVJLSA-N 242.322 2.785 30 20 BFED Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)c(N(C)C)n1 799723103 ZIWPXVYLEYREOE-NWDGAFQWSA-N 244.342 2.560 30 20 BFED Cc1ccc(C)c(C(=O)/C=C/c2cn(C)cn2)c1 800792269 PRYSPLSLUAXUEN-VOTSOKGWSA-N 240.306 2.933 30 20 BFED C1CC(=NN[C@H]2C[C@H]3CC[C@H]2C3)[C@@H]2C[C@@H]2C1 800815109 LXZPDEXVRXADJH-GCQYFTOKSA-N 218.344 2.941 30 20 BFED CC(C)C1CN(c2nc(Cl)c(C#N)s2)C1 804571919 QEWWFOCMUWZAJP-UHFFFAOYSA-N 241.747 2.760 30 20 BFED N#Cc1nc(F)ccc1OCCc1ccccc1 808045700 XQTSBTKCIPRXEH-UHFFFAOYSA-N 242.253 2.714 30 20 BFED C#C[C@H](NC(=O)NCCCCC)C(C)(C)C 808188081 PJEWYESKXGBLPI-NSHDSACASA-N 224.348 2.524 30 20 BFED C#C[C@@H](NC(=O)NC(C(C)C)C(C)C)C(C)C 812175489 QVQIXIKWFZJVJZ-GFCCVEGCSA-N 238.375 2.624 30 20 BFED CC(C)OCCON=C[C@H]1CC[C@H](C)C1 812237517 DXUICUZDEMGAOU-RYUDHWBXSA-N 213.321 2.850 30 20 BFED C=CCOCCOC(=O)C[C@H](CC)C(C)C 813894844 AKFYMWPHQOERLW-LBPRGKRZSA-N 228.332 2.805 30 20 BFED CN(CC(C)(C)C#N)c1ccnc(Cl)c1 814373087 MBKUVXVOJGKFEQ-UHFFFAOYSA-N 223.707 2.721 30 20 BFED O=C(O)c1ccc(NN=C2CC[C@@H]2C2CC2)cc1 814680652 BRGBOKMENKOOET-GFCCVEGCSA-N 244.294 2.973 30 20 BFED C=CCC(F)(F)C(=O)OC(CC)CC 815313123 VXTOKIPITUFTQN-UHFFFAOYSA-N 206.232 2.930 30 20 BFED C#C[C@H](C)NC(=O)N1CCC[C@@H](C)[C@H]1CCC 820429462 WPKRMRSDTBHEBH-FRRDWIJNSA-N 236.359 2.618 30 20 BFED C#C[C@@H](C)NC(=O)N(CCCCC)C(C)C 820434837 AMLAYNSAWFCXIK-GFCCVEGCSA-N 224.348 2.618 30 20 BFED C[C@@H]1CC[C@@H](C)C1NCC1(C#N)CCC1 829669005 VNKUNRITDQUECW-GHMZBOCLSA-N 206.333 2.704 30 20 BFED C=C(CC)CN[C@@]1(C)CCCC[C@@H]1C(=O)O 833370003 HRFIFAGLPTYFDC-YPMHNXCESA-N 225.332 2.576 30 20 BFED C=C[C@H](CC)OC(=O)c1ccc(C(=O)O)s1 833370902 ISMGLOAGGSJZQQ-SSDOTTSWSA-N 240.280 2.568 30 20 BFED Cc1cc(C)cc(NN=C2CCn3ccnc32)c1 834928811 DJGSSJSDIOVPDA-UHFFFAOYSA-N 240.310 2.720 30 20 BFED C=CCONC(=O)N[C@@H](c1ccccc1)C1CC1 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BFED CC(=NNc1ccc(F)cc1)c1cn(C)nc1C 917531391 NLFKGHBPYNNXAF-UHFFFAOYSA-N 246.289 2.704 30 20 BFED C=C[C@H](CC)CC(=O)N1CC[C@@H](C2CC2)C1 935155281 JMFYWRBOKFOHPS-DGCLKSJQSA-N 221.344 2.847 30 20 BFED C=C[C@H](C(=O)N1CC(C2CC2)C1)c1ccccc1 1123787823 PKEYWFMQIQRGHX-HNNXBMFYSA-N 241.334 2.825 30 20 BFED N#CCc1cccc(NCc2ccncc2F)c1 1308770447 WBFRNOWGDLZLOB-UHFFFAOYSA-N 241.269 2.899 30 20 BFED CC(C)(C)CC(=O)N[C@H](C#N)C1CCCC1 1331541194 UMARPYREGPCXHK-LLVKDONJSA-N 222.332 2.621 30 20 BFED C=CC[C@H](NCC[C@@H](C)c1ccccc1)C(=O)O 1331932061 LRDOYPQMPKGLAD-OCCSQVGLSA-N 247.338 2.799 30 20 BFED C[C@H]1CC[C@@H](NC(=O)c2csc(C#N)c2)C1 1332659984 RZVGENDOBPCWGW-WCBMZHEXSA-N 234.324 2.538 30 20 BFED Cc1ccoc1C(=O)[C@H](C#N)c1cccc(F)n1 1347123429 LITXIBIYMVCWQG-SECBINFHSA-N 244.225 2.612 30 20 BFED N#CC1(CNCc2cccn2C2CC2)CCC1 1348555101 JEHGVJXMUYUDAY-UHFFFAOYSA-N 229.327 2.606 30 20 BFED C=C[C@@H]1OCC[C@H]1c1nnc(C2CCCC2)o1 1349974114 GNJDBVIKQFHKQA-MNOVXSKESA-N 234.299 2.786 30 20 BFED 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214.264 2.704 30 20 BFED C=C[C@@H](C)ONC(=O)N[C@@H](C)CCCCC 844284276 QYWXSCWEPBDTGY-WDEREUQCSA-N 228.336 2.761 30 20 BFED Oc1ccc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)c(F)c1 844589846 NRWZRFMUIOUFIA-BHDSKKPTSA-N 248.301 2.643 30 20 BFED C=C[C@H](C)ON=Cc1ccc(N(C)C)s1 844626136 YRSQNKDIKPNCKC-VIFPVBQESA-N 224.329 2.739 30 20 BFED CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(C#N)o1 844791534 ZYIUWJVGIPXGPJ-GXSJLCMTSA-N 246.310 2.706 30 20 BFED C=C(C)CONC(=O)C[C@@H]1CCCC[C@@H]1C 846539491 IQMDGTBJINPEJE-RYUDHWBXSA-N 225.332 2.827 30 20 BFED COc1ccc(N[C@H]2CC[C@@H]2C)cc1C#N 846756478 VSUTVQHQHHSUHE-CABZTGNLSA-N 216.284 2.777 30 20 BFED C=C[C@](C)(CCOC)COC(=O)CCCF 850972870 HIACGVUBGNAZFG-GFCCVEGCSA-N 232.295 2.508 30 20 BFED C=CC(C)(C)CCOC(=O)c1ocnc1C 851299352 ICBMZXGDTKLNQE-UHFFFAOYSA-N 223.272 2.742 30 20 BFED CCON=Cc1cc(F)ccc1OC(F)F 853286842 VYDTZDFDUIEMJI-UHFFFAOYSA-N 233.189 2.798 30 20 BFED CC(CC(C)(C)C#N)=NNCCc1ccccn1 853342163 FMRDQUPCVYCPAH-UHFFFAOYSA-N 244.342 2.529 30 20 BFED 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C=CCC(C)(C)C(=O)NC[C@H](C)C1CC1 644793172 VUZDPERDQSBTST-JTQLQIEISA-N 209.333 2.751 30 20 BFED C=CC(C)(C)C(=O)N(CC)CCC(F)(F)F 648225410 WNYYQELDNRISMQ-UHFFFAOYSA-N 237.265 3.000 30 20 BFED C=CCCCCNC(=O)N1CCCC(F)(F)C1 651037955 FXLDVYGMCJLHGR-UHFFFAOYSA-N 246.301 2.783 30 20 BFED C=C[C@H](C(=O)O)N1C[C@H](c2ccccc2)C[C@@H]1C 652417413 PPVOXRJEPSPDAY-IACUBPJLSA-N 245.322 2.504 30 20 BFED C=CCCC[C@@H](C)NC(=O)c1ccc(OC)o1 653734127 ALFNKDLOTAPYQW-SNVBAGLBSA-N 237.299 2.763 30 20 BFED C=CCCNC(=O)N1CCC2(CCC2)CC1 661568887 AOMLNKRKTQSLLM-UHFFFAOYSA-N 222.332 2.538 30 20 BFED C=CC[C@H]1CCCN(c2nc3ccccn3n2)C1 664255672 MDGPKJIEVZKTKN-LBPRGKRZSA-N 242.326 2.522 30 20 BFED C=CCC(C)(C)CNC(=O)N[C@]12CCC[C@H]1C2 664956641 HIUYOENZQGECJF-FZMZJTMJSA-N 236.359 2.831 30 20 BFED COCC#CCN1CCC[C@@H]1c1cccc(F)c1 677477329 CJHJWDSWFXVCTP-OAHLLOKOSA-N 247.313 2.612 30 20 BFED COCC#CCN[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 680383504 QVOVMWDOGPUIHA-RRFJBIMHSA-N 237.387 2.687 30 20 BFED C=C(C)CN1CCN(c2ccccc2F)C[C@@H]1C 682779623 MXNDLCDDKNCRRV-ZDUSSCGKSA-N 248.345 2.912 30 20 BFED C[C@H](C[C@H]1CCOC1)Nc1ccc(CC#N)cc1 689745515 ZKMQCLABEKGOPX-TZMCWYRMSA-N 244.338 2.980 30 20 BFED Cc1csc(CN[C@@H](C)CC(C)(C)C#N)n1 695788991 UDYXUJDOAUQUIC-VIFPVBQESA-N 237.372 2.870 30 20 BFED C=CCCCOC(=O)c1cccc(COC)c1 735532929 RGXVWYLVADREJV-UHFFFAOYSA-N 234.295 2.956 30 20 BFED CC[C@@H](C)OC(=O)c1ccccc1CC#N 738600657 IVENBAXVYSERHS-SNVBAGLBSA-N 217.268 2.708 30 20 BFED C=CCOC(=O)c1nc(C(C)C)ncc1Cl 744665466 NYVYAKYKUFBDOO-UHFFFAOYSA-N 240.690 2.596 30 20 BFED CC1(C)CCC(CC(=O)OCC#N)CC1 751832657 SNAPKLRYHPWVHV-UHFFFAOYSA-N 209.289 2.660 30 20 BFED C=CCN(C(=O)C[C@@H](OCC)C(=C)C)C(C)C 755860322 MYDASCWWZINAGZ-CYBMUJFWSA-N 239.359 2.781 30 20 BFED C#CCOc1cccc(OC(=O)C(C)=C(C)C)c1 757391459 DLELMWZXDQDESD-UHFFFAOYSA-N 244.290 2.960 30 20 BFED C=CCNC(=S)NCC1(CC)CCCC1 760280473 PJNFNGXUOKNIJS-UHFFFAOYSA-N 226.389 2.607 30 20 BFED COc1ccnc(NN=C[C@H]2CCC[C@H](C)C2)n1 768359962 HYUSTOUICQIQEJ-QWRGUYRKSA-N 248.330 2.709 30 20 BFED C#C[C@H](C)N(C)Cc1cc(Cl)ccc1F 769975973 RDAODVKJXOCVFU-VIFPVBQESA-N 225.694 2.933 30 20 BFED C=C(CC)COC(=O)c1ccc2nc(O)oc2c1 773499959 SIUSUABAEWMHEL-UHFFFAOYSA-N 247.250 2.656 30 20 BFED CC(=NN[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccn1 774597570 ROOFZBUJQBUKJX-SGMGOOAPSA-N 229.327 2.584 30 20 BFED c1cc2n(c1)CCC2=NOC1CCCC1 774603210 PBKGVUGLRKJMIZ-UHFFFAOYSA-N 204.273 2.555 30 20 BFED CCCC(CC)=NNc1cc(C)ncn1 776186873 WXFLNERSWMPPHR-UHFFFAOYSA-N 206.293 2.763 30 20 BFED CS/C=C/C(=O)O[C@H](C#N)C1CCCCC1 776394842 GHJXEGBRLXUJEG-WSKFYRRCSA-N 239.340 2.879 30 20 BFED COC[C@@H](C)NN=C(C)Cc1ccccc1C 777891865 TUXOJGCCCHTVHL-CYBMUJFWSA-N 234.343 2.538 30 20 BFED CCCCCCCC(=O)N1CC[C@](O)(CC)C1 779344175 WQCOEYJPCWUPAD-CQSZACIVSA-N 241.375 2.720 30 20 BFED CC(C)(C)CCCOC(=O)c1cc(C#N)c[nH]1 781184136 VUKXPCAHSZBELU-UHFFFAOYSA-N 234.299 2.869 30 20 BFED CC1(C)CCC[C@@H]1NN=Cc1cccc(O)c1O 782290581 ZERRVFARQXCUQI-LBPRGKRZSA-N 248.326 2.600 30 20 BFED CCCNN=Cc1ccc(Cl)cc1F 783513958 KKEUWQLEZVTMAD-UHFFFAOYSA-N 214.671 2.813 30 20 BFED Cc1cc(C=NNc2ncccc2C)c(C)[nH]1 790187076 SZCITWDFYMVURW-UHFFFAOYSA-N 228.299 2.781 30 20 BFED CC[C@H](C)NN=Cc1cnc(C(C)C)s1 790188604 KTZQHENKILXLEO-VIFPVBQESA-N 225.361 2.989 30 20 BFED C=CCCC(=O)O[C@H](C)c1ncccc1F 791802664 CTRMVJDSNNKINQ-SECBINFHSA-N 223.247 2.791 30 20 BFED CC[C@H](C)CON=C(C)c1cn(C)c(C)n1 793144511 DHDYSLYOSNTCPF-VIFPVBQESA-N 223.320 2.515 30 20 BFED CC[C@@H](C)CON=Cc1cccc(C#N)c1 793157850 DAPVKIOJOZLXSU-LLVKDONJSA-N 216.284 2.955 30 20 BFED COC[C@H](C)C(C)=NNc1cccc(Cl)n1 793161881 MMFRTFVPSWTIPX-QMMMGPOBSA-N 241.722 2.805 30 20 BFED COCCC(=NNCCC(F)(F)F)C(C)C 794550683 IBOZHXKWONQCPR-UHFFFAOYSA-N 240.269 2.577 30 20 BFED C[C@@H]1CC[C@H](C/N=C\c2cccc(O)c2O)C1 794846867 FDYKOZVKHLZTJQ-XXKFPOPISA-N 233.311 2.953 30 20 BFED C=C(C)CCSCc1nc(C)cc(O)n1 795367136 FKSZPRKQZDFEJP-UHFFFAOYSA-N 224.329 2.690 30 20 BFED CC[C@@](C)(C#N)C(=O)O[C@H]1COc2ccccc21 797160756 NCBJTRAEEIUBOQ-JSGCOSHPSA-N 245.278 2.603 30 20 BFED CC(=O)c1c(F)cccc1NCC1(C#N)CC1 797439259 BFZAUXKGVFQJEZ-UHFFFAOYSA-N 232.258 2.744 30 20 BFED CN(C)c1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1 799722190 KKYUBNHTZDORTG-DGCLKSJQSA-N 229.327 2.857 30 20 BFED CC[C@@H](NCCO[C@@H](C)C#N)c1ccc(C)cc1 801937357 KNLPCWFMTHHIDP-DZGCQCFKSA-N 246.354 2.964 30 20 BFED C=CCCCCCCNC(=O)C(C)(C)COC 805218113 SJEQOEPSMJNJJG-UHFFFAOYSA-N 241.375 2.912 30 20 BFED C/C=C/C(=O)N[C@@H](C#N)c1ccc(CC)cc1 809257844 PXOYXXQYWPYNDL-LQPUYASZSA-N 228.295 2.506 30 20 BFED CC[C@H](C#N)OC(=O)c1ccc(C(C)C)cn1 810623769 GMTKSGXJZNZRTD-LLVKDONJSA-N 232.283 2.664 30 20 BFED C#Cc1ccccc1CC(=O)N[C@@H]1CCC1(C)C 810732344 IBTMAMQTKFZXLV-CQSZACIVSA-N 241.334 2.515 30 20 BFED C=CCCCCOC(=O)[C@@H](C)CSC 811012361 IROLXWCMJJKVEW-JTQLQIEISA-N 216.346 2.885 30 20 BFED COc1cccc(O)c1C=NOC/C=C/Cl 811669621 RHLXEYXYFGLXBJ-WRWLHXTISA-N 241.674 2.504 30 20 BFED Oc1ccc(C=NOCC2CC2)cc1Cl 814243589 DYNNHDSWXIGFRU-UHFFFAOYSA-N 225.675 2.806 30 20 BFED C[C@H]1SCCC1=NNc1nc2ccccc2[nH]1 814708322 GDEPFXHZVMXRMV-MRVPVSSYSA-N 246.339 2.856 30 20 BFED Cc1ccc([C@@H]2CCCC2=NNC[C@@H](C)O)cc1 814966269 KAUPXWOAEGXHQX-OCCSQVGLSA-N 246.354 2.589 30 20 BFED CC(C)n1cncc1C=NNCCC(C)(C)C 819812714 OLULLUULLJJUIP-UHFFFAOYSA-N 236.363 2.824 30 20 BFED CC#CCCCCOC(=O)C[C@@H](C)n1cccn1 820638447 GILWTQYFJFTDTN-CYBMUJFWSA-N 248.326 2.571 30 20 BFED CCON(C(=O)c1cc(C#N)ccc1C)C(C)C 823603124 QHQHLUDZXBOERX-UHFFFAOYSA-N 246.310 2.669 30 20 BFED C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](F)C2)cc1 824572490 XWIPPMRTUWFNCW-WCQYABFASA-N 248.301 2.521 30 20 BFED Cc1ccc2c(c1)[C@H](NC(=O)C#CC(C)C)CC2 826692763 IRMXUNZDRQZRRW-OAHLLOKOSA-N 241.334 2.758 30 20 BFED C#Cc1cnc(NC[C@H]2CCc3ccccc32)nc1 827606281 IYAYENLLWPUYFV-CQSZACIVSA-N 249.317 2.600 30 20 BFED C#CCNC1(c2ccccc2Cl)CC1 829475343 OQTSHKQXDHMRPQ-UHFFFAOYSA-N 205.688 2.552 30 20 BFED CC(=NN[C@@H]1CCOC1)[C@H]1CCCC[C@@H]1C 834978289 RSEMHPPHKJCYDO-UHTWSYAYSA-N 224.348 2.567 30 20 BFED Cc1cnc(C=NOC/C=C\Cl)s1 834978923 JOWSNJMIQLSECB-NOTMHCKCSA-N 216.693 2.555 30 20 BFED CC[C@@H](CC(F)(F)F)C(=O)O[C@@H](C#N)C1CC1 835195862 SIPDTVNNPSCYTJ-CBAPKCEASA-N 249.232 2.810 30 20 BFED Cc1nc(C2CC2)ccc1C(=O)OCCCC#N 837777700 DXVFULVKIYIJJE-UHFFFAOYSA-N 244.294 2.728 30 20 BFED C=CCONC(=O)N[C@@H]1CCCC[C@H]1CCC 838707399 JZDYEHHNIAXNON-VXGBXAGGSA-N 240.347 2.762 30 20 BFED CNC(=S)N(C)N=C1CCC[C@H](C(C)C)C1 841647192 YTKJTTRXGYWSAG-JTQLQIEISA-N 241.404 2.625 30 20 BFED C#CC1CCN(Cc2cc3cnccc3o2)CC1 845990168 OKQPLNKXIFTNSJ-UHFFFAOYSA-N 240.306 2.673 30 20 BFED C=CCCC(=O)OCCc1noc2ccccc12 847769758 GTTYZCANSSCUOG-UHFFFAOYSA-N 245.278 2.880 30 20 BFED C=CC[C@H]1CCCN(C(=O)N(C)CC(C)C)C1 849430960 PYINPLIRZUDTKF-ZDUSSCGKSA-N 238.375 2.982 30 20 BFED C=CCC[C@H](C)OC(=O)c1ccnn1C(F)F 849836661 LEHBMLGYUPEMLJ-QMMMGPOBSA-N 244.241 2.790 30 20 BFED CS/C=C/C(=O)O[C@H](C)CC(C)(C)C#N 851209318 KMMRKZFUGFWQLF-VUHVRTRXSA-N 227.329 2.735 30 20 BFED Cc1noc(C)c1CON=Cc1cccs1 852099356 KLYFDYIAQYZILO-UHFFFAOYSA-N 236.296 2.904 30 20 BFED C[C@@H](C#N)COC(=O)c1ccsc1Cl 853112090 OXTYLGVMPBCLHF-LURJTMIESA-N 229.688 2.718 30 20 BFED C#Cc1cccnc1N[C@H]1CCO[C@@H](C(C)C)C1 853468211 QENNNLZFWJHXRN-UONOGXRCSA-N 244.338 2.678 30 20 BFED CC(C)C#CC(=O)N(C)Cc1ccccc1Cl 854231553 KFOFUECZBHNVKN-UHFFFAOYSA-N 249.741 2.958 30 20 BFED C#C[C@@](C)(CC)NC(=O)Cc1ccc(CC)cc1 854698216 UUZQGEGMQCLKAI-INIZCTEOSA-N 243.350 2.710 30 20 BFED C=CCN(Cc1noc(C2CCC2)n1)C(C)C 859081588 HRNSNPQUYHERJP-UHFFFAOYSA-N 235.331 2.734 30 20 BFED CCC(=NNc1cccc(C)n1)[C@H]1CCOC1 863159786 DTTXPYHPIDJDPP-NSHDSACASA-N 233.315 2.604 30 20 BFED CO[C@@](C)(C=NNc1cccc(C)n1)C1CC1 863159878 HTFGPSNYNLIOKO-ZDUSSCGKSA-N 233.315 2.603 30 20 BFED C#CCCCN[C@@H](C)c1cc(O)ccc1F 872037867 GCLBYTOBJLMZDW-JTQLQIEISA-N 221.275 2.595 30 20 BFED Fc1ccc(F)c(C=NN2CCC2)c1Cl 872399088 VPIZBBLPRHDJIC-UHFFFAOYSA-N 230.645 2.658 30 20 BFED C[C@H](CCC#N)CN(C)Cc1ccccc1O 876616530 YXTYVITUGNTKNY-GFCCVEGCSA-N 232.327 2.764 30 20 BFED CC[C@H]1CCCN(c2ccc(C)nc2C#N)C1 881801550 KSFAXNMFJFBWLI-LBPRGKRZSA-N 229.327 2.888 30 20 BFED C=C/C=C\CCNC(=O)N(CC=C)CC=C 883911838 ACZZAXKBVGLKHZ-FPLPWBNLSA-N 220.316 2.502 30 20 BFED Fc1cccc(/C=C\C=NNC2CC2)c1 884450157 ZJYJRIZFQISPLR-XCDHHBBJSA-N 204.248 2.577 30 20 BFED C#CCSCC(=O)N1C[C@H](C)c2ccccc21 888225870 IUUSDUONZHGSPD-NSHDSACASA-N 245.347 2.503 30 20 BFED C#CC[C@@H](CCOC)N[C@H](C)CSCCC 895668364 IQMWNDUNGGNMGH-OLZOCXBDSA-N 243.416 2.536 30 20 BFED CCn1cc(/C=C\C(=O)c2sccc2C)nn1 899356998 YUHJZHYLFLNTRD-PLNGDYQASA-N 247.323 2.564 30 20 BFED C=C(Cl)C[S@](=O)Cc1cc(C)cc(C)n1 899443250 COOHUUDELOCQKV-HNNXBMFYSA-N 243.759 2.700 30 20 BFED Cn1cc(C=NOC2CCCC2)c(C2CC2)n1 901210008 DOKJXQTUZYSXBN-UHFFFAOYSA-N 233.315 2.591 30 20 BFED N#CC1(CN[C@H]2CCCOc3ccccc32)CC1 903106606 SLXBYVZQBYFPDY-ZDUSSCGKSA-N 242.322 2.794 30 20 BFED C=C[C@H](CC)CC(=O)Nc1ccc(C(C)=O)cn1 904073852 KZIJJODCJYSJTM-LLVKDONJSA-N 246.310 2.825 30 20 BFED CCCCN(O)C(=O)C(C)(C)C1CCC1 904215092 ZWFUOBTYRBYRMJ-UHFFFAOYSA-N 213.321 2.831 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1cc(OC)ccc1N 911662151 FOZLVOFZBIGNEB-JTQLQIEISA-N 248.326 2.818 30 20 BFED C=CCC[C@H]1CCCN1C(=O)NCc1ccoc1 912283916 DSNSONYVCTUABI-ZDUSSCGKSA-N 248.326 2.920 30 20 BFED Cc1cc(NN=Cc2ccc(C)s2)nc(C)n1 915970441 COCSYFZLQJZJPT-UHFFFAOYSA-N 246.339 2.909 30 20 BFED Cc1cc(SCC(C)(C)CO)ccc1C#N 917873830 SXWFWKWFSUEPNC-UHFFFAOYSA-N 235.352 2.977 30 20 BFED CC[C@@H](c1ccccc1)N(CC)C[C@H](O)CC#N 929384238 DPZGQLDLKGVXSZ-CABCVRRESA-N 246.354 2.734 30 20 BFED C=C(C)CN(CC)C(=O)[C@@H](C)c1cccc(O)c1 930120021 UQLCJTYLMMBPSQ-LBPRGKRZSA-N 247.338 2.920 30 20 BFED C[C@H](CC#N)NCCCCC1(C#N)CCC1 930868745 SVPLZRHKRYPNOD-GFCCVEGCSA-N 219.332 2.742 30 20 BFED Cc1csc(NC(=O)N2CCCCC2)c1C#N 931413415 VAJGEBJUDNWENY-UHFFFAOYSA-N 249.339 2.946 30 20 BFED C=C(CC)CN1CCC[C@H](Cc2nc(C)no2)C1 933574395 XPVAKWUYBVJVNT-CYBMUJFWSA-N 249.358 2.599 30 20 BFED C=C[C@@H](CC)CC(=O)NCC(C)(C)SC 933872601 SRVNJBIZTVMDPD-JTQLQIEISA-N 229.389 2.847 30 20 BFED CSCC(C)(C)NCCc1ccc(C#N)cc1 934662837 HGQLXQISOKXVOA-UHFFFAOYSA-N 248.395 2.832 30 20 BFED C=C[C@@H](CC)CC(=O)N1CCO[C@@](C)(CC)C1 935566801 WKJXPYQKAIMEQD-JSGCOSHPSA-N 239.359 2.616 30 20 BFED C[C@@H]1CCC(=NNc2ccn(C)n2)C[C@H]1C 1116759660 JIYCFJYIFXODKG-NXEZZACHSA-N 220.320 2.644 30 20 BFED CC(C)c1nnc(C2(C#N)CCCC2)o1 1117202818 GVRKVPKOPHEJDY-UHFFFAOYSA-N 205.261 2.528 30 20 BFED C=CCSCCNC(=N)Nc1ccc(C)cc1 1261566462 JGIAPDDAXMMXAA-UHFFFAOYSA-N 249.383 2.850 30 20 BFED C#CCN(Cc1cccc(CC)c1O)CC1CC1 1326891505 QQTZEZZAHCSUHW-UHFFFAOYSA-N 243.350 2.800 30 20 BFED CCN(C(=O)/C=C(\C)c1ccccc1)[C@@H](C)C#N 1328828534 QKABHGZFQYDQAW-XSNHNAGMSA-N 242.322 2.850 30 20 BFED C=CC[C@H](CC)NC(=O)C1(C(C)(F)F)CC1 1331171845 YSIVFUUVOSFOQC-VIFPVBQESA-N 231.286 2.893 30 20 BFED C=C[C@@H](CCC(=O)O)NC/C=C\c1ccccc1 1332013865 QZRTXVCZJSXSIN-PIZKADEWSA-N 245.322 2.709 30 20 BFED C=CCN(C(=O)c1cc(C)nc(C)c1)C(C)C 1335775079 ATXCQFZFOKMXRH-UHFFFAOYSA-N 232.327 2.735 30 20 BFED C=CCCC(C)(C)NC(=O)[C@@H]1CCC[C@@H]1OC 1336030184 ZNDQDGNUTVKCDC-NEPJUHHUSA-N 239.359 2.663 30 20 BFED C=C(C)CCC(=O)[C@H](C#N)c1ccccn1 1341931907 RMTIXOBIXBVPBC-LLVKDONJSA-N 214.268 2.614 30 20 BFED C#CC[C@@H](C)OC(=O)c1cc2ccsc2[nH]1 1524695944 MPQMIPOSCGOBCS-MRVPVSSYSA-N 233.292 2.798 30 20 BFED C/C=C(\CC)C(=O)[C@H](C#N)c1cccc(F)n1 1524727371 JLPMMKKDDACSSF-OTVCUZDGSA-N 232.258 2.753 30 20 BFED C=CCC(C)(C)C(=O)OCc1cncn1CC 1527012564 UKCMJKBRLGGIJE-UHFFFAOYSA-N 236.315 2.549 30 20 BFED C=CC[C@H](C)OC(=O)c1cccc(C(=O)O)c1 1588736296 WRKJHVOYOQVSGJ-VIFPVBQESA-N 234.251 2.506 30 20 BFED C=CCCCCCCN[C@H](C)[C@H]1C[C@@H]1C(=O)O 1588799009 XVPVLXCBPYEHKW-UPJWGTAASA-N 239.359 2.822 30 20 BFED C=CCCCN[C@H](C(=O)O)c1ccccc1C 1588803824 MNVQGOLPYCZQPK-ZDUSSCGKSA-N 233.311 2.677 30 20 BFED O=C(O)c1coc(/C=C/C(=O)c2ccccc2)c1 1610866321 GLXYTJGVLKXKCH-VOTSOKGWSA-N 242.230 2.874 30 20 BFED C=CCc1cnc(Cl)c(F)c1[C@H](O)C=C 1690107100 MNAJLZIGBBCQJN-MRVPVSSYSA-N 227.666 2.822 30 20 BFED C=CCOc1c(Cl)cc(C#N)cc1OC 6180872 XTMNGCSWRVXZBN-UHFFFAOYSA-N 223.659 2.785 30 20 BFED CCCCN(C)Cc1cccc(C#N)c1 19505214 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242.322 2.815 30 20 BFED C#CCCCOc1ccc(OCC)cc1C=O 270865412 KRQWTODXTZSCNG-UHFFFAOYSA-N 232.279 2.690 30 20 BFED C[C@H]1CCN(c2ccc(C#N)nc2)CC12CCC2 271298944 GDWUFLPGUMSYCX-LBPRGKRZSA-N 241.338 2.970 30 20 BFED CC(=O)c1ccc(C#N)c(N2C[C@H](C)[C@@H](C)C2)c1 273264222 YJYLLFLZMODOJN-QWRGUYRKSA-N 242.322 2.853 30 20 BFED CC[C@H](CC#N)Nc1cc(C#N)ccc1[N+](=O)[O-] 274267497 PSZRVESXJUSFRF-SNVBAGLBSA-N 244.254 2.571 30 20 BFED C=CCCCCNC(=O)c1sccc1OC 274479537 OGZKWZRSTNSECK-UHFFFAOYSA-N 239.340 2.843 30 20 BFED CC(C)(C#N)CC(=O)Nc1ccccc1F 278177993 DUUSCIULIBOQHD-UHFFFAOYSA-N 220.247 2.704 30 20 BFED C=CC[C@@H](CC)NCc1cccc2c1OCO2 281303384 JJCXTCCPPORDQW-GFCCVEGCSA-N 233.311 2.860 30 20 BFED C#CCN[C@H](C)c1ccccc1SC 282144624 SCQDMUGICNMXRL-SNVBAGLBSA-N 205.326 2.692 30 20 BFED Cc1oc(C(C)C)cc1C(=O)N(CC#N)C1CC1 284973129 DBHZCHAKDRKNQQ-UHFFFAOYSA-N 246.310 2.840 30 20 BFED N#Cc1ccc(Cl)c(C(=O)NC2CCCC2)c1 286361448 YFKLDRHCJJECJL-UHFFFAOYSA-N 248.713 2.884 30 20 BFED 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BFED N#Cc1ccc(CNc2ccc3c(c2)COC3)o1 125459624 XLDKOXWTKISCBS-UHFFFAOYSA-N 240.262 2.794 30 20 BFED CCCCS[C@H](C)C(=O)N[C@@](C)(C#N)CC 127039125 SURVIKJBENVWCP-ZYHUDNBSSA-N 242.388 2.717 30 20 BFED CCN(CC#N)C(=O)c1cc(C)cc(Cl)c1 128496828 DMBHDLKHVUGATK-UHFFFAOYSA-N 236.702 2.634 30 20 BFED N#Cc1cc(F)ccc1NC1CC=CC1 131111466 CAYVBFKKPPBSAG-UHFFFAOYSA-N 202.232 2.828 30 20 BFED C=C(Cl)Cn1c(=O)n(CC)c2ccccc21 131128261 INNHDPWUWWEHOX-UHFFFAOYSA-N 236.702 2.575 30 20 BFED C=C[C@](C)(CC)C(=O)N(C)Cc1ccc(O)cc1 134943857 ZUNRILRCNKAVCJ-OAHLLOKOSA-N 247.338 2.953 30 20 BFED C=CCCOCC(=O)N[C@H](C)CCCC(C)C 144727635 TWLDADUYQLWWPB-CYBMUJFWSA-N 241.375 2.910 30 20 BFED C=C[C@H](C)NC(=O)[C@H](C)c1ccccc1F 155843588 MRJTWWZEXTWRIL-VHSXEESVSA-N 221.275 2.620 30 20 BFED C=C[C@@H](C)N[C@@H](C)c1sc(C)nc1C 157258807 HSCQUYDLTKJATF-SFYZADRCSA-N 210.346 2.985 30 20 BFED C=C(C)CNC(=O)Nc1cscc1C 157653016 LHKPBQHYXHCQMF-UHFFFAOYSA-N 210.302 2.754 30 20 BFED COc1cc(Nc2ncccc2C#N)ccc1F 160368313 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C=C(Cl)CNC(=O)c1ccc(Cl)c(F)c1 231608973 VOEHZOFFJVAMRR-UHFFFAOYSA-N 248.084 2.961 30 20 BFED COc1cc(C#N)cc(OCC=C(C)C)c1 234813416 OYAGIBGYQYOADV-UHFFFAOYSA-N 217.268 2.912 30 20 BFED N#CCC1(CSC[C@H]2CCCO2)CC1 236163003 GMQSGWJRXMNBBJ-SNVBAGLBSA-N 211.330 2.592 30 20 BFED C#CCCOC(=O)/C=C\Sc1ccccc1 255678463 HOKKPVSJXZJQEO-LUAWRHEFSA-N 232.304 2.859 30 20 BFED Cc1cc(CON=Cc2ccccc2C)on1 255889995 JECRGLOECQLAJK-UHFFFAOYSA-N 230.267 2.842 30 20 BFED C=CCN(Cc1ccc(C(=O)O)cc1)C1CC1 263329895 LSEPMTNJXFSZIJ-UHFFFAOYSA-N 231.295 2.535 30 20 BFED C[C@@H](CC#N)N[C@H](C)c1c(F)cccc1F 263933913 ZIYGBUFFIIPNGW-DTWKUNHWSA-N 224.254 2.918 30 20 BFED Cc1ccc(OC(F)F)c(CN(C)CC#N)c1 271108867 SXMXZNLKFBZJRC-UHFFFAOYSA-N 240.253 2.552 30 20 BFED CCCCC(=O)OCc1ccc(CC#N)cc1 271907084 WWZBYYUHAWVYBH-UHFFFAOYSA-N 231.295 2.986 30 20 BFED C[C@@H](C#N)CN(C)[C@H](C)c1nc2ccccc2o1 272329610 RJYXOFFQMICVEC-WDEREUQCSA-N 243.310 2.980 30 20 BFED C=CCCCCNCc1c(C)nn(CC)c1C 274580332 KTXLYDVQGMNXAE-UHFFFAOYSA-N 235.375 2.966 30 20 BFED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccon1 275504831 CIVXUIATWDKGBL-NSHDSACASA-N 241.294 2.739 30 20 BFED C=CCCN(C)C(=O)N[C@@H](C)CCSCC 276064211 IXUBMYODVAZRRY-NSHDSACASA-N 244.404 2.736 30 20 BFED C=CCCC(=O)Nc1ccc(O)cc1CC 276764513 HCQOSENWQVELJV-UHFFFAOYSA-N 219.284 2.859 30 20 BFED C#CCN(C)C(=O)[C@H](C)c1cccc(Cl)c1 276951725 KBFQPAMZORGYLO-SNVBAGLBSA-N 235.714 2.535 30 20 BFED Cc1ncc(CN2CCCC(C)(C)[C@@H]2C#N)s1 277816394 QLHMELXPWTVSOA-LBPRGKRZSA-N 249.383 2.966 30 20 BFED C[C@@H](NC(=O)CC(C)(C)C#N)c1ccccc1 278217844 IUXLQHYSYGXPHD-LLVKDONJSA-N 230.311 2.804 30 20 BFED CC(C)CC[C@@H](O)COc1ccc(C#N)cc1 280342612 RMYYNANJHBOBSS-CYBMUJFWSA-N 233.311 2.734 30 20 BFED C=CCC[C@H](C)NC[C@@H]1CCO[C@@H]1C(=C)C 280692986 BHJAVWCIGUCPAG-MELADBBJSA-N 223.360 2.912 30 20 BFED CCN(Cc1ccccn1)[C@H]1CC[C@H](C#N)C1 281116748 XGELICUUNDCCGG-JSGCOSHPSA-N 229.327 2.596 30 20 BFED CC[C@@H](CC#N)NC(=O)c1nc(C(C)C)oc1C 285986873 GFGACEJHNHOVJO-JTQLQIEISA-N 249.314 2.529 30 20 BFED C=CCN(C)C(=O)c1cc(C(C)C)oc1C 286831023 RMPNAYKFYXCQGM-UHFFFAOYSA-N 221.300 2.969 30 20 BFED C=C[C@@H](CO)N[C@@H](C)c1ccc(Cl)cc1 289745968 HBLLCMXYIRXOIT-CABZTGNLSA-N 225.719 2.538 30 20 BFED C#Cc1ccccc1CC(=O)N[C@@H](CC)CC=C 291069973 NZTLDNCKDUSIEI-HNNXBMFYSA-N 241.334 2.681 30 20 BFED Cc1nc(N2CC[C@H](C)C[C@@H]2C)ccc1C#N 292096803 YZZFKPAAEGLHNB-QWRGUYRKSA-N 229.327 2.887 30 20 BFED Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[C@@H]1C 299414942 LQZYOOPZFIYKDI-JQWIXIFHSA-N 243.310 2.644 30 20 BFED Cc1ccccc1C/N=C(\N)N1CCC[C@@H](C)C1 303782479 NHEMWGBVMMIVDK-GFCCVEGCSA-N 245.370 2.542 30 20 BFED C#CCSCCNC1CCC2(CC1)CC2 308862603 VSPWRVBYAQTBOR-UHFFFAOYSA-N 223.385 2.665 30 20 BFED Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)s1 309228846 WKOMYSXXZSXNEP-WDEREUQCSA-N 220.341 2.838 30 20 BFED C=C(C)[C@@H]1OCC[C@H]1CNc1ncc(C)s1 309601681 KGRGJYTVLXOXQK-QWRGUYRKSA-N 238.356 2.845 30 20 BFED COC1(CNc2cc(C#N)cc(C)n2)CCCC1 311135318 DRLXMJWEVWGRRJ-UHFFFAOYSA-N 245.326 2.633 30 20 BFED C=CCC[C@@H](CO)N[C@@H](CCC)C1CCC1 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BFED C=CC[C@H](CC)NC(=O)N[C@H]1CCC[C@H]1C 336932365 BMUUXZRUYNGUHN-WOPDTQHZSA-N 224.348 2.829 30 20 BFED Cc1c(C#N)cccc1C(=O)N1C[C@@H](C)C[C@@H]1C 338127687 LVKGTALPJAXOAU-QWRGUYRKSA-N 242.322 2.737 30 20 BFED CC#CCCCC(=O)N[C@@H](C)c1ccncc1F 338184666 SJDNABGVELHDAD-NSHDSACASA-N 248.301 2.592 30 20 BFED N#Cc1ccc(N[C@H]2CCC[C@@H]2F)cc1[N+](=O)[O-] 338845333 SPDLSUZFSTYMCK-QWRGUYRKSA-N 249.245 2.769 30 20 BFED C=CCN(Cc1ncc(C)n1C)c1ccccc1 342772978 FVGNHQFJMYWHHF-UHFFFAOYSA-N 241.338 2.921 30 20 BFED CC(C)N(CC1(C#N)CC1)C1CCCC1 343313646 UNGPTNAUKFQOIO-UHFFFAOYSA-N 206.333 2.943 30 20 BFED C=C[C@@](C)(CC)C(=O)N1CC[C@H](C2CC2)C1 344048283 NENBDCKLJZHHLT-JSGCOSHPSA-N 221.344 2.847 30 20 BFED C=CCCC[C@H](C)N1CC[C@H](C(=O)OC)[C@@H]1C 346654924 PIPGPZBAQDDORV-AVGNSLFASA-N 239.359 2.615 30 20 BFED CC[C@H](C)CCC(=O)N(C)C1(C#N)CCC1 350097981 JPJXZOJXJWTYMH-NSHDSACASA-N 222.332 2.717 30 20 BFED CCC(CC)c1noc([C@]2(C#N)C[C@@H]2C)n1 351096700 GKFJXNHTKLAEAL-UFBFGSQYSA-N 219.288 2.774 30 20 BFED CN(CC#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 351950850 HHSLDDJGJSZDBK-JHJVBQTASA-N 234.343 2.575 30 20 BFED C[C@@H]1C[C@@H]1CC(=O)N(C)Cc1ccc(C#N)cc1 352616366 QOHFSBKWWNNAPN-BXUZGUMPSA-N 242.322 2.563 30 20 BFED C=CCCC1(C(=O)NC[C@H]2C[C@@H]2C)CC1 354610704 ZNGFAJHRNGNIPZ-WDEREUQCSA-N 207.317 2.505 30 20 BFED CC(C)(C)CC[C@H](CO)Nc1ncccc1C#N 360253621 ZQPOWRKHJNRIJH-GFCCVEGCSA-N 247.342 2.552 30 20 BFED N#Cc1ccncc1N1CCC(C2CC2)CC1 366203323 JQVGXUGNKAVAJX-UHFFFAOYSA-N 227.311 2.580 30 20 BFED CSCC[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 380329424 NQSMVPVFKCMZLO-QJPTWQEYSA-N 226.389 2.800 30 20 BFED CC(F)(F)CNc1ccc(C#N)cc1F 382169286 VURMZCDEJSYPAV-UHFFFAOYSA-N 214.190 2.764 30 20 BFED C=CCCC[C@@H](C)NCc1cc(C(=O)O)co1 398125979 SYPZCPSTTRIZDA-SNVBAGLBSA-N 237.299 2.812 30 20 BFED N#Cc1cncc(N2CCC[C@@H]2C2CCCC2)n1 401304101 RVZRCDDHFYGJQK-CYBMUJFWSA-N 242.326 2.507 30 20 BFED CC#CCN(C)[C@@H]1C[C@H]1c1cccc(F)c1 411767862 GKINCYKBLZCCOR-UONOGXRCSA-N 217.287 2.637 30 20 BFED CO[C@@](C)(C1CC1)[C@H](C)Nc1ncccc1C#N 413512009 HHASRAKYWRKRIY-IINYFYTJSA-N 245.326 2.569 30 20 BFED C=C(C)CCNc1cccc2c1CN(C)C2=O 417074951 ZQCNNMHIACOGHI-UHFFFAOYSA-N 230.311 2.650 30 20 BFED CSc1cc(C)ccc1NC(=O)NCCC#N 417211043 FRFZQFOPFAZHRL-UHFFFAOYSA-N 249.339 2.752 30 20 BFED N#C[C@@H]1CCC[C@H](N[C@@H](CN)C2CCCCC2)C1 423259477 DVTRJRRRQVCUSY-SNPRPXQTSA-N 249.402 2.566 30 20 BFED C=CCn1cc(CN[C@@H](CCC)C2CCC2)nn1 424299686 VYSUXUILWLSNGB-AWEZNQCLSA-N 248.374 2.523 30 20 BFED Cc1[nH]c(=NC[C@@H]2C[C@H]2C2CCC2)ccc1C#N 425287684 WPYDTUCQMCXAJI-KBPBESRZSA-N 241.338 2.532 30 20 BFED CC(C)C[C@@H](C)n1nccc1NC(=O)[C@@H](C)C#N 426883750 PWJOUZDKLKIQCN-WDEREUQCSA-N 248.330 2.588 30 20 BFED CC#CCCCc1nc(-c2ccc(O)cc2)no1 436871140 PSHPFJYGVJZBKP-UHFFFAOYSA-N 242.278 2.788 30 20 BFED CCc1cc(C#N)ccc1OCCC(C)(C)O 442116089 LGKHOBWMJNOGJY-UHFFFAOYSA-N 233.311 2.660 30 20 BFED N#C[C@H]1CC[C@H](NCCc2ccc(F)cc2)C1 442649015 NJPKOPQNQVTTCP-JSGCOSHPSA-N 232.302 2.650 30 20 BFED CC[C@@H]1C[C@H]1CN[C@H]1CCC[C@@H](C#N)C1 449486802 VJRZINQGCPOHSF-NDBYEHHHSA-N 206.333 2.704 30 20 BFED C=CC[C@@H](CC)N=c1ccc2c([nH]1)CCCC2=O 450496651 BDAPVGKCLLWYFQ-LLVKDONJSA-N 244.338 2.789 30 20 BFED C=CCN(CCC#N)C(=O)[C@]1(C)CCC[C@H]1C 452262654 JCKUYFUHUNKLPV-TZMCWYRMSA-N 234.343 2.741 30 20 BFED C=CC[C@H](CO)CN[C@H](C)c1csc(C)c1 453173022 YHKCWNVFMODDOW-NEPJUHHUSA-N 239.384 2.892 30 20 BFED C=CCN(CCC#N)C(=O)C1=CC[C@H](C)CC1 456059115 ICJUOLXQBDWVHF-LBPRGKRZSA-N 232.327 2.661 30 20 BFED Cc1cc(F)c(CNCCC#N)c(Cl)c1 459505867 IIEMLDURCUALAL-UHFFFAOYSA-N 226.682 2.791 30 20 BFED C=C(CC)CSc1nc2c([nH]1)CCC2 487853476 AFVWKHHHXNIQPH-UHFFFAOYSA-N 208.330 2.957 30 20 BFED C=C[C@H]1CCCCN1Cc1noc(C(C)C)n1 489440150 RVRRZIHWHMUTRW-NSHDSACASA-N 235.331 2.734 30 20 BFED C=CCCCS(=O)(=O)N(C)[C@H](C)CCCC 489980721 JSAQCJABIVXEBL-GFCCVEGCSA-N 247.404 2.793 30 20 BFED C#CCN(CC)C(=O)CCCSC(C)(C)C 490854001 WXYPUJYNJGCMML-UHFFFAOYSA-N 241.400 2.780 30 20 BFED CCC[C@H](C#N)NC(=O)/C=C/c1ccccc1 491369108 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2.706 30 20 BFED C=CCCCCNCc1ccc(O)c(F)c1 309345277 WHUGAYQHHJAGBC-UHFFFAOYSA-N 223.291 2.977 30 20 BFED CCc1nc([C@H](C)NCC2(C#N)CC2)cs1 309481662 UBPYHJSIKUTGMS-VIFPVBQESA-N 235.356 2.660 30 20 BFED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)C1(C)CC1 309734206 BYKDKFAGAIOXAH-AVGNSLFASA-N 223.360 2.746 30 20 BFED Cc1ncccc1CN(CCC#N)CC(C)C 310506331 OJBKWFOHVNITQF-UHFFFAOYSA-N 231.343 2.762 30 20 BFED C[C@@H]1C[C@@H](Nc2cccc(CC#N)c2)CCN1C 313433270 FLXUQDJARMQZAD-DOMZBBRYSA-N 243.354 2.647 30 20 BFED C=CCC[C@H](CO)N[C@H](C)c1ccc(C)cc1O 321513727 WLBXUIAWTFAULV-CHWSQXEVSA-N 249.354 2.678 30 20 BFED CC[C@@H](NCc1cccc(OCC#N)c1)C1CC1 323750627 RZRDYGRARTVSCA-OAHLLOKOSA-N 244.338 2.867 30 20 BFED CCC[C@@H](Nc1ccnc(C#N)n1)C1CCC1 324828454 YLGKDRCAJCBQOM-LLVKDONJSA-N 230.315 2.729 30 20 BFED C[C@H](C1CCC1)N(C)C(=O)c1ccc(C#N)cc1 325457585 RVUABJKKZKWQSQ-LLVKDONJSA-N 242.322 2.819 30 20 BFED O/C(=N/[C@H]1CCCCC12CCCC2)c1cnn[nH]1 328632687 ANEHFIKGBGQITB-NSHDSACASA-N 248.330 2.612 30 20 BFED 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248.648 2.884 30 20 BFED Cc1nnc(NC2CCCCC2)c(C#N)c1C 24052552 XHKYTZPPJCWQGM-UHFFFAOYSA-N 230.315 2.710 30 20 BFED N#CCCN(Cc1cccnc1)Cc1ccco1 33681926 SQPHUDUBUKCETQ-UHFFFAOYSA-N 241.294 2.590 30 20 BFED COC(C)(C)C[C@@H](C)NCc1cccc(C#N)c1 37748804 ZNAJWQQFKLTCNR-GFCCVEGCSA-N 246.354 2.851 30 20 BFED C=C(C)CN(CC)Cc1nc(CC(C)C)no1 42666545 KENAGGSJIGJAPC-UHFFFAOYSA-N 237.347 2.666 30 20 BFED N#Cc1cc(NC(=O)c2ccccc2)ccc1F 51637410 HEIPFCNZHVUVKU-UHFFFAOYSA-N 240.237 2.950 30 20 BFED C=CCN(C)CCCOc1ccccc1C 52457549 FNDAICDOWAIPIF-UHFFFAOYSA-N 219.328 2.882 30 20 BFED C=C(C)CN(CC)C(=O)Cc1ccsc1 57157930 LPQBZGWKJSIAQH-UHFFFAOYSA-N 223.341 2.715 30 20 BFED C#CCCCOC(=O)/C=C/c1cccc(F)c1 62699902 RDEJLGRUVYRHDD-CMDGGOBGSA-N 232.254 2.796 30 20 BFED N#Cc1ccc(N2CCc3ccccc3CC2)nc1 71202939 UQAREDMAWNFNDN-UHFFFAOYSA-N 249.317 2.558 30 20 BFED C#CCOc1ccccc1CNc1ccccn1 79752960 VJOMYLLZWBZTPI-UHFFFAOYSA-N 238.290 2.706 30 20 BFED N#C[C@H](OC(=O)c1ccccn1)C1CCCCC1 84555041 GDDNVVMVNGXBCV-ZDUSSCGKSA-N 244.294 2.711 30 20 BFED CCCN(CC#N)C(=O)C[C@@H](CC)C(C)C 104302232 WSFLNOAAMKOMHG-GFCCVEGCSA-N 224.348 2.821 30 20 BFED Cc1ccc(C)c(OCCCN(C)CC#N)c1 104959476 ZILROXLOPORGGZ-UHFFFAOYSA-N 232.327 2.528 30 20 BFED CCOc1ccc(OC)cc1N[C@H](C#N)CC 122233384 DYRRPPMEAVYSGD-JTQLQIEISA-N 234.299 2.808 30 20 BFED CC(C)(CCc1ccccc1)NCC#N 122378442 HCXUQZQBLFLLLJ-UHFFFAOYSA-N 202.301 2.511 30 20 BFED CC(C)(C#N)CN[C@H]1Cc2ccc(Cl)cc2C1 126728141 SNXDPOWXJPTQRP-ZDUSSCGKSA-N 248.757 2.947 30 20 BFED C#CCNC(=O)[C@@H](C)S[C@H](C)c1ccccc1 128451463 UOKWBNNZCFYOMD-VXGBXAGGSA-N 247.363 2.619 30 20 BFED COc1cc(C#N)ccc1NC(=O)[C@H](C)C1CC1 130208364 JHYHJXOHKBGPPB-SECBINFHSA-N 244.294 2.551 30 20 BFED CC#CCN[C@@H](CC)c1ccc(F)cc1 135264528 VZPNMIGZEOESNR-ZDUSSCGKSA-N 205.276 2.890 30 20 BFED C=C(C)CNC(=O)NC[C@@H](C)c1cccc(C)c1 156251492 OQAHICYPSHBHRZ-CYBMUJFWSA-N 246.354 2.974 30 20 BFED C=CCCOC(=O)CCC(=O)c1ccccc1 156795983 XIEMRUYMRVGHRZ-UHFFFAOYSA-N 232.279 2.769 30 20 BFED C=CCN(C(=O)C1(C#N)CCCCC1)C1CC1 165323663 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CC#CCNC(=O)Nc1ccc2[nH]c(C)cc2c1 189936522 IXRXGMGWWDYNIJ-UHFFFAOYSA-N 241.294 2.621 30 20 BFED C=CCC1(C(=O)N2CC=C(COC)CC2)CCC1 190383446 QGUYHCWIRMCIAN-UHFFFAOYSA-N 249.354 2.538 30 20 BFED C#CCN(C)Cc1ncc(-c2ccccc2F)o1 192228191 URCVPBUZBOLTSR-UHFFFAOYSA-N 244.269 2.546 30 20 BFED C=CCCCCCN1CC[C@]2(CCOC2)C1 193386283 UPNRLFMZXXCKPL-AWEZNQCLSA-N 223.360 2.845 30 20 BFED C=CCSCCNC(=O)C[C@H](C)CCC 195369630 ZZCADXRIJWXDQS-LLVKDONJSA-N 229.389 2.848 30 20 BFED C#CCNc1ccc(C)c(C(=O)N(C)C(C)C)c1 195456543 KFTMKJVDOGTKRN-UHFFFAOYSA-N 244.338 2.521 30 20 BFED C#CC(C)(C)NC(=O)c1ccc(Cl)cc1C 223018211 ZZFRHSVBORINIX-UHFFFAOYSA-N 235.714 2.790 30 20 BFED C=C(C)COCCN[C@@H]1CCC[C@H](C)[C@@H]1C 227710890 RRZDQZJUEPXFIL-MELADBBJSA-N 225.376 2.993 30 20 BFED C#C[C@H](CC)NCc1ccc(OC)c(OCC)c1 229878190 QQWOILFKTRXHJW-CYBMUJFWSA-N 247.338 2.595 30 20 BFED C=CCCOCCNc1nc(Cl)cs1 231837885 FDPKVPBKALJDIP-UHFFFAOYSA-N 232.736 2.801 30 20 BFED C=C(Br)CN[C@H]1C[C@H]2CC[C@H]1C2 250526091 PHCKVXQROXGKDC-GUBZILKMSA-N 230.149 2.673 30 20 BFED C=CCC[C@H](N[C@@H]1C[C@@H]2OCCC[C@@H]21)C1CC1 251619764 GMQZCOXSCNBQJS-BARDWOONSA-N 235.371 2.888 30 20 BFED N#CCCC1CCN(CCc2cscn2)CC1 260246426 WZOKGSUWJCVOPX-UHFFFAOYSA-N 249.383 2.701 30 20 BFED CC/N=C(/NC[C@H]1CC=CCC1)NC(C)(C)C 262944343 AOHLRGWCWTVNQD-LBPRGKRZSA-N 237.391 2.696 30 20 BFED C=CCN(C)Cc1ccc(OC)c(C)c1 264116004 UVIWPDISYSNFRA-UHFFFAOYSA-N 205.301 2.621 30 20 BFED C=CCNC(=O)NC1CC(C)(c2ccccc2)C1 264370384 JNVYTJLIDXDXSW-UHFFFAOYSA-N 244.338 2.592 30 20 BFED C=CCCO[C@@H](C)c1nc(CC2CC2)no1 266558922 JGMJOBRNBCPINP-VIFPVBQESA-N 222.288 2.676 30 20 BFED CCc1nc(N(C)CCC#N)c2ccsc2n1 270192477 CNKNUZFGAWYQEG-UHFFFAOYSA-N 246.339 2.604 30 20 BFED CC(C)[C@H](C)C(=O)N1CCc2ccc(C#N)cc21 270207765 JXLXMXCFABDEIG-NSHDSACASA-N 242.322 2.739 30 20 BFED CC(C)(C)CN(Cc1ccccc1)C(=O)CC#N 274721451 CCSSMUAHWMLZEJ-UHFFFAOYSA-N 244.338 2.975 30 20 BFED C=CCCCCNC(=O)Nc1ccc(F)cn1 274870628 KODWXTYWUJQYCW-UHFFFAOYSA-N 237.278 2.699 30 20 BFED C=CCCN(C)Cc1ccc(C#N)s1 276188081 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CCn1cc([C@H](C)NCCCC(C)(C)C#N)cn1 295890831 CQQNBEQJYKMWDY-LBPRGKRZSA-N 248.374 2.884 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@]1(C#N)CC12CCCC2 296100317 GJIPNJVNWVZDFO-IUODEOHRSA-N 246.354 2.931 30 20 BFED C=C[C@H](Nc1cccc(Cl)c1C)C(=O)OC 301043519 LMPFXVBAMIMHKM-JTQLQIEISA-N 239.702 2.788 30 20 BFED C[C@H](C#N)CNc1ncnc2cc(Cl)ccc12 301449901 SQAJFLCPDRHXKL-MRVPVSSYSA-N 246.701 2.855 30 20 BFED C#C[C@@H](CC)NCc1cnc(C2CC2)s1 308971175 ZNAQOTJCVLSWJJ-JTQLQIEISA-N 220.341 2.522 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)[C@@H](C)CC 309698639 LWGGLNGLKHYEIC-DGAVXFQQSA-N 225.376 2.992 30 20 BFED CCc1cccnc1N[C@@H]1CC[C@H](C#N)C1 309967399 OBPMIVDAWMCWDA-CMPLNLGQSA-N 215.300 2.748 30 20 BFED CSC1CCN(c2ccc(C#N)c(C)n2)CC1 310091456 RMEFYDOBGIZOFX-UHFFFAOYSA-N 247.367 2.594 30 20 BFED N#CCc1cccc(NCC[C@H]2CCCO2)c1 313420429 CNHYRAFFGANGJR-CQSZACIVSA-N 230.311 2.734 30 20 BFED C=CCC[C@H](CO)N[C@H]1CCC[C@H](CC)C1 320509832 MWTVSZVODUYOMO-MELADBBJSA-N 225.376 2.872 30 20 BFED CC1=C(/C(O)=N/C2(C#N)CCC2)CCC1 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C[C@H](Nc1ccc(C#N)nn1)[C@@H]1C[C@H]2CC[C@H]1C2 301819887 ARCCAHOFMWGARK-ZPFDUUQYSA-N 242.326 2.585 30 20 BFED C[C@@H]1CCCC[C@@H]1C/N=C(/N)NCC1CCC1 303880303 KEVOZJWHNFKMTO-DGCLKSJQSA-N 237.391 2.517 30 20 BFED C#CCCCNc1c(F)cccc1[N+](=O)[O-] 304581889 SNTUQFVQOABLMH-UHFFFAOYSA-N 222.219 2.559 30 20 BFED CC(C)[C@]1(C=O)CCCN1C(=O)OC(C)(C)C 307344416 YYRPRXUHSSNWEL-CYBMUJFWSA-N 241.331 2.611 30 20 BFED COCC[C@@H](C)Nc1cc(C)cc(C#N)c1 308112580 ZUWMRDFIZYYGOC-LLVKDONJSA-N 218.300 2.704 30 20 BFED C[C@H]1CC[C@H]1Nc1cc(F)cc(C#N)c1 309041304 KCUXJBOIZYULSS-QPUJVOFHSA-N 204.248 2.908 30 20 BFED C[C@@H]1CCC[C@H](NCC2(C#N)CC2)[C@@H]1C 309156977 XQCKIQKYDLNJQR-UTUOFQBUSA-N 206.333 2.704 30 20 BFED N#CCCCNC[C@@H]1C[C@@H]1c1ccccc1 309506363 NFGWJJSHEAKKCK-UONOGXRCSA-N 214.312 2.683 30 20 BFED C=CCC[C@@H](CO)NCc1cccc(C)c1C 320701361 YGBFNLZEIIYOOG-HNNXBMFYSA-N 233.355 2.720 30 20 BFED CC[C@H](CCO)CNc1ccc(C#N)cc1C 328403534 SEEOFZGQMZHHQM-GFCCVEGCSA-N 232.327 2.687 30 20 BFED C[C@@]1(/N=C(/O)CCc2ccncc2)CCCOC1 329167895 ISWSHDOFVJXENK-CQSZACIVSA-N 248.326 2.540 30 20 BFED CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H](C#N)C(C)(C)C 331739719 FESXIEHKHHSXNV-SUNKGSAMSA-N 236.359 2.723 30 20 BFED C=CC1CCN(C(=O)[C@@]2(C)C[C@@H]3C[C@@H]3C2)CC1 334303851 FTOWMIGZCFCLMQ-AGGWBTHJSA-N 233.355 2.847 30 20 BFED Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)cc(C)c1O 335550411 TZMIMHZPOMPPKJ-GXTWGEPZSA-N 244.338 2.791 30 20 BFED Cc1ccc(C(=O)Nc2ccncc2C#N)s1 335793631 WVEAFIXEAPVTBM-UHFFFAOYSA-N 243.291 2.576 30 20 BFED C=CC1CCN(C(=O)c2ccc(C#N)s2)CC1 335839316 HTQOYFHBYGGXQZ-UHFFFAOYSA-N 246.335 2.658 30 20 BFED C=C1CCN(C(=O)[C@H]2CCC[C@@H]2CC)CC1 336246936 JEEWJBDXLDRQEO-STQMWFEESA-N 221.344 2.991 30 20 BFED C=C[C@@H]1CCCCN1c1ccnc2c1cnn2C 336362186 XLUSTEMTDLTILZ-LLVKDONJSA-N 242.326 2.513 30 20 BFED CC(C)[C@H](C)NCCc1cccc(C#N)c1 336695992 YNLIOOTVPFFPJF-LBPRGKRZSA-N 216.328 2.735 30 20 BFED CCc1cc(OC)ccc1CN(C)C[C@@H](C)C#N 337529880 CMVAPMTXAUCDNN-LBPRGKRZSA-N 246.354 2.849 30 20 BFED 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C[C@H](C#N)CNN=C1CCC[C@H](C2CC2)C1 771107219 LEJMVUONENPSPF-PWSUYJOCSA-N 219.332 2.692 30 20 BFED C#C[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1CCC 773597250 JBUQITMLWAVKFA-XQQFMLRXSA-N 236.359 2.666 30 20 BFED N#Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 774130200 KJWMQHBMBGMAIA-CABCVRRESA-N 239.322 2.730 30 20 BFED CC[C@H](SC)C(=O)OCCC(C)(C)C#N 776395326 IRJJOKCZDJISCV-VIFPVBQESA-N 229.345 2.611 30 20 BFED Cc1ccc(F)cc1C=NNc1ccccn1 777878805 LZWYHVXBZSDFTL-UHFFFAOYSA-N 229.258 2.975 30 20 BFED C[C@@H]1CC(=NN[C@@H]2CCCC2(C)C)CN1C1CC1 782288222 PILLFLUYOSMPBJ-BXUZGUMPSA-N 249.402 2.767 30 20 BFED C#CC(C)(C)N(C)CCCOc1ccc(F)cc1 787999398 NCHSKONJYBMJJH-UHFFFAOYSA-N 249.329 2.938 30 20 BFED CC(=NN[C@@H]1CCOC1)c1coc2ccccc12 788454667 BNTNJJUSMCBATB-LLVKDONJSA-N 244.294 2.535 30 20 BFED CCOc1ccc(O)c(C=NN[C@H](C)CC)c1 790183421 RPVLFUVZPXXESX-SNVBAGLBSA-N 236.315 2.513 30 20 BFED CCO[C@@H]1CC(=NN[C@@H](C)CC)C12CCC2 790184141 RLCDDYABWJXOPQ-CMPLNLGQSA-N 224.348 2.710 30 20 BFED CCCCCCCCN1CC(=O)N(C2CC2)C1 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30 20 BFED C[C@@H]1CCC[C@H]1CC(=O)N(C)C1(C#N)CCC1 186873004 NKUOHWSXLONKDG-NEPJUHHUSA-N 234.343 2.717 30 20 BFED CCc1ccccc1CN(C)[C@H](C)CC#N 189109532 LFKHOPDNPWXJTH-GFCCVEGCSA-N 216.328 2.983 30 20 BFED CCCc1nc(CSCCCC#N)no1 190924489 SZLYAPSUHSDLOF-UHFFFAOYSA-N 225.317 2.559 30 20 BFED C#CCN(C)C(=O)Cc1ccc(CC(C)C)cc1 191062328 LHDYYTBHYSMTPL-UHFFFAOYSA-N 243.350 2.519 30 20 BFED C=CCN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 192111170 JTYVWZTYROSSLG-OLZOCXBDSA-N 239.265 2.570 30 20 BFED C#CCCCC(=O)N(CC)C1CCCC1 192142750 RRGWTRRMPCXCNB-UHFFFAOYSA-N 207.317 2.581 30 20 BFED C#CCN1CC=C(c2ccc(F)cc2)CC1 193002062 GNKXPEPUPUPDKJ-UHFFFAOYSA-N 215.271 2.548 30 20 BFED C=CCSCCNCCCC(C)C 220696605 YQHOYQBWGNTYCJ-UHFFFAOYSA-N 201.379 2.931 30 20 BFED C#C[C@H](CC)NCc1ccc(F)cc1Cl 229899897 LYSWGNVECKKFNF-LLVKDONJSA-N 225.694 2.981 30 20 BFED Cc1ccnc(N2CC[C@@H](C)C[C@H]2C)c1C#N 250873398 MPWCOIBXTCMPKJ-ZYHUDNBSSA-N 229.327 2.887 30 20 BFED CC[C@](C)(C#N)C(=O)N1CCC[C@@H](C)[C@H]1C 252507055 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241.338 2.988 30 20 BFED C=CCCN1CCC(CCCn2ccnc2)CC1 338570216 ZTBDIJDHOCIKFQ-UHFFFAOYSA-N 247.386 2.951 30 20 BFED N#Cc1cccc(CCNCc2cccs2)c1 341472753 DOGMYRUAWCUYFK-UHFFFAOYSA-N 242.347 2.952 30 20 BFED N#Cc1cccc(CCNCc2ccccc2)c1 341491263 SMCJLXNWSHIUFT-UHFFFAOYSA-N 236.318 2.891 30 20 BFED C=CCC(C)(C)C(=O)NCC(C)(C)C[C@@H](C)O 341495717 VPBFBBGWKOEVMM-LLVKDONJSA-N 241.375 2.502 30 20 BFED CC#CCNc1cnn(CC(C)C)c1C1CC1 345318181 CFAUCFRBEFQRHX-UHFFFAOYSA-N 231.343 2.852 30 20 BFED C=C(C)CCN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 351730375 NOSFRQACSVCQJP-GDBMZVCRSA-N 248.414 2.901 30 20 BFED COc1ccc([C@@H](C)[C@H](C)NCCC#N)cc1 355136710 QLTJGMJTRUMJEA-RYUDHWBXSA-N 232.327 2.690 30 20 BFED C=CCOCCCN(C#N)c1ccccc1 356047958 VJGFUYIOQWVXGX-UHFFFAOYSA-N 216.284 2.567 30 20 BFED C=CCCN(C)C(=O)[C@@H](c1ccncc1)C(C)C 357015618 XXTORZCGTRZYKT-CQSZACIVSA-N 246.354 2.856 30 20 BFED C=CCN(CCOC)C(=O)CCCC(C)(C)C 361079426 ILDGXAHTOLGGCY-UHFFFAOYSA-N 241.375 2.864 30 20 BFED C=C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1C 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2.586 30 20 BFED C=CC(C)(C)CNC(=O)NC(C1CC1)C1CC1 454217219 AANYCJUKXRGCPR-UHFFFAOYSA-N 236.359 2.686 30 20 BFED C[C@@H]1C[C@]1(C#N)C(=O)N1CCC[C@H]2CCCC[C@@H]21 459872706 HPCFDTRPYCUEPL-GUIRCDHDSA-N 246.354 2.717 30 20 BFED C=CCn1cccc1C(=O)NCCC1CCCC1 488397872 OGBCUPXAOQWKFP-UHFFFAOYSA-N 246.354 2.984 30 20 BFED C=CCn1cccc1C(=O)N(C)C1CCCC1 488577962 FFPALMPEMZENKT-UHFFFAOYSA-N 232.327 2.689 30 20 BFED C#C[C@@H](CC)NC(=O)N(C)Cc1ccccc1C 491694116 VITDDDARPCQBJH-AWEZNQCLSA-N 244.338 2.548 30 20 BFED N#Cc1ncccc1SCCC1CCOCC1 516980105 TVGMFMDJVWZUKL-UHFFFAOYSA-N 248.351 2.862 30 20 BFED C=CCn1cccc1C(=O)N(C)C(C)(C)C 519536267 SBHHXHCWULAGRC-UHFFFAOYSA-N 220.316 2.545 30 20 BFED C=CCCCC[C@H](C)NCCCC(=O)O 519717461 TWBFGEZLEOWIFE-NSHDSACASA-N 213.321 2.576 30 20 BFED C=CCNC(=O)c1ccc(C)c(C(F)(F)F)c1 527642715 ITZFVRUWCQMBAB-UHFFFAOYSA-N 243.228 2.930 30 20 BFED CC(C)(C#N)NC(=O)c1cccc(C(F)F)c1 543759275 VFIKSIWBOIXNRG-UHFFFAOYSA-N 238.237 2.656 30 20 BFED CCCC(C)(C)NC(=O)c1ncc(C#N)cc1C 555626037 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KENKQRGBBQWGKP-CYBMUJFWSA-N 247.338 2.784 30 20 BFED C=CCCNC(=O)C(C)(C)c1ccc(OC)cc1 617617080 VCCOXSAQNPFGNH-UHFFFAOYSA-N 247.338 2.665 30 20 BFED C=CCCC(C)(C)NC(=O)c1[nH]c(C)nc1C 622184695 IRRJIVRMIXDWJJ-UHFFFAOYSA-N 235.331 2.501 30 20 BFED C=C(C)CCNCc1cccc2[nH]ncc12 623538604 LFTVBVGNFUMJJM-UHFFFAOYSA-N 215.300 2.619 30 20 BFED COCC#CCN[C@@H]1CCC[C@@H]1c1ccccc1 639902792 HCWWJDFRSOSKSV-HZPDHXFCSA-N 243.350 2.562 30 20 BFED CCC#C[C@@H](C)N[C@@H](C)c1cnc(C)s1 639995226 JIZPCYWHLZGSAH-ZJUUUORDSA-N 222.357 2.904 30 20 BFED C=CC[C@H]1CCCC[C@@H]1NC[C@@H](C)OC 658172582 CCPULOUQXDJOFD-AGIUHOORSA-N 211.349 2.746 30 20 BFED C=CCC1(NC[C@H](O)C(C)(C)C)CCCC1 661851568 XLFHGIAPSWMUJJ-LBPRGKRZSA-N 225.376 2.872 30 20 BFED C=CCN(C(=O)NCC[C@@H](C)CC)C1CC1 665979758 BGLRHDBNNHIJMZ-NSHDSACASA-N 224.348 2.783 30 20 BFED C=CC[C@H](C)NC(=O)N[C@@H](C)c1cnccc1C 678456375 QLJNUHMRCXCHEZ-RYUDHWBXSA-N 247.342 2.715 30 20 BFED COCC#CCOc1ccc(OC(C)C)cc1 678822731 GNNFEWGVLFZZOV-UHFFFAOYSA-N 234.295 2.502 30 20 BFED C=C(CC)CN[C@@H](CO)[C@H](C)c1ccccc1 680989414 FZMDKBKEUQDJLI-HIFRSBDPSA-N 233.355 2.707 30 20 BFED C=C(C)CCNC(=O)CSCCCC 687796284 QSOCLKMPXVRGAY-UHFFFAOYSA-N 215.362 2.602 30 20 BFED C#CCN(C(=O)c1cc(C)cc(C)c1)C(C)C 688862774 XUOXTEYGOOUHBX-UHFFFAOYSA-N 229.323 2.787 30 20 BFED CC[C@@](C)(CN[C@@H](C)CC(C)(C)C#N)OC 695869089 CXOJUIGMIZHVEG-AAEUAGOBSA-N 226.364 2.719 30 20 BFED C=C(Cl)CN[C@H](C)CC(C)(C)C#N 695871066 KCRFABDBBPXTMZ-SECBINFHSA-N 200.713 2.657 30 20 BFED C#CCN(C(=O)c1ccc2c(c1)CCC2)C(C)C 708492203 NJRNBLZJJYFJGH-UHFFFAOYSA-N 241.334 2.659 30 20 BFED C#CCCCCC(=O)NCc1cscc1C 710340055 WXYYSMOHVSHHDF-UHFFFAOYSA-N 235.352 2.866 30 20 BFED Cc1cc(C#N)cc(N[C@@H]2CC23CCC3)n1 721206255 ZKBUCUOVCVQDOL-LLVKDONJSA-N 213.284 2.616 30 20 BFED C#CCCCCC(=O)N(Cc1ccoc1)C1CC1 723725289 OGIJKIHVVLDMPQ-UHFFFAOYSA-N 245.322 2.964 30 20 BFED CCCOc1cccc(C=NNCC(F)F)c1 740616904 WWIUAHHXMWRSKH-UHFFFAOYSA-N 242.269 2.664 30 20 BFED CC(=NNCC(F)F)c1cccc(C)c1 740618360 OTKSOTJBFOCPKH-UHFFFAOYSA-N 212.243 2.574 30 20 BFED C=CCOCCCC(=O)O[C@H](C)CC(C)C 744062326 JANDNSGOBDMOKH-GFCCVEGCSA-N 228.332 2.947 30 20 BFED C#CCN(Cc1ccccc1F)C(C)C 746133961 LSOBHBNVAJCZJV-UHFFFAOYSA-N 205.276 2.669 30 20 BFED CC[C@@](C)(C#N)NC(=O)C=C1CCCCC1 749612111 JASHQFUSCIOEHM-ZDUSSCGKSA-N 220.316 2.685 30 20 BFED CCCCCC1=CCCC1=NN[C@H](C)CO 749814715 QTDIFDQCZLUMMB-LLVKDONJSA-N 224.348 2.613 30 20 BFED CC(C)=C(C)C(=O)N[C@]1(C#N)CCC[C@H](C)C1 751202067 HQGBEDYELDVTNB-SMDDNHRTSA-N 234.343 2.931 30 20 BFED C[C@H](CC=NNC(=S)N(C)C)c1ccccc1 755709783 RTBKSJUXTYKJBE-LLVKDONJSA-N 249.383 2.602 30 20 BFED C[C@H](C#N)OC(=O)c1cc(F)cc(Cl)c1 757115700 RJYISOTVALNJKB-ZCFIWIBFSA-N 227.622 2.548 30 20 BFED Clc1csc(C=NO[C@@H]2CCCCO2)n1 758118969 LLUBQCLZVVWRPR-SECBINFHSA-N 246.719 2.674 30 20 BFED COc1cccc(NN=C(C)[C@@H](C)OC)c1 763149467 KUSQYJSBAFATPM-SNVBAGLBSA-N 222.288 2.518 30 20 BFED COC[C@@H](C)NN=Cc1c(C)oc2ccccc12 777895496 ZDXLTKPYJYXICC-SNVBAGLBSA-N 246.310 2.700 30 20 BFED N#CCCCCOC(=O)c1cccc(F)c1C#N 778369563 CVYBZWDCQISDDE-UHFFFAOYSA-N 246.241 2.548 30 20 BFED Cc1ncc(C=NN[C@H]2CCCC2(C)C)s1 782290630 ZMBNWALFXBQAJR-NSHDSACASA-N 237.372 2.954 30 20 BFED CC(C)CC(=NN[C@H]1CCOC1)c1ccccc1 788446972 MMEYUSJKYVRORJ-AWEZNQCLSA-N 246.354 2.815 30 20 BFED C#C[C@H](CCC)NC(=O)NCC1(CCC)CC1 791030636 ZXIKMYOXDOOSFZ-GFCCVEGCSA-N 236.359 2.668 30 20 BFED O=C(C#Cc1ccccc1)OCCCCCF 791571649 GZWJMNVMRAMJTK-UHFFFAOYSA-N 234.270 2.721 30 20 BFED Cc1ccoc1C=NN[C@@H](C)C(C)(C)C 793115484 RGNUXAVABOKDQU-JTQLQIEISA-N 208.305 2.946 30 20 BFED Fc1ccc(C=NNCCC(F)(F)F)cc1 794546924 DOOKXNYJOSRLMJ-UHFFFAOYSA-N 234.196 2.702 30 20 BFED CC(CC1CC1)=NNCCC(F)(F)F 794553300 OZSOFAOWNRTUKY-UHFFFAOYSA-N 208.227 2.704 30 20 BFED COCCN(C)N=CCc1ccc(C(C)C)cc1 794972315 NKAYQAZJNRNXGX-UHFFFAOYSA-N 248.370 2.917 30 20 BFED C=C(CC)COC(=O)c1ncccc1Cl 796577518 GIQRNQONQDJWME-UHFFFAOYSA-N 225.675 2.858 30 20 BFED C=CCOCCOC(=O)/C=C\C1CCCCC1 797324797 JFBLBOLNTABLFI-HJWRWDBZSA-N 238.327 2.869 30 20 BFED CSC(C)(C)CNC(=O)CCCCCC#N 805187420 LWYXNYWQSJBQKW-UHFFFAOYSA-N 242.388 2.718 30 20 BFED C#C[C@@H](NC(=O)NCCC=C(C)C)C(C)(C)C 808294981 MGWVUWQEZVXBAP-GFCCVEGCSA-N 236.359 2.690 30 20 BFED CC[C@@H](C#N)OC(=O)CCc1ccc(C)s1 810624007 KTKWDYXTMJAZDF-JTQLQIEISA-N 237.324 2.835 30 20 BFED CC(=NNc1cccc(F)c1)C1CCN(C)CC1 814815069 LYZQVZKTCXDXQQ-UHFFFAOYSA-N 249.333 2.955 30 20 BFED COCCCON=C1CC[C@@H]1C1CCC1 814931163 LHFKNCYDTVVCEA-LLVKDONJSA-N 211.305 2.606 30 20 BFED C=CCC1(C(=O)N2Cc3ccncc3C2)CCC1 816581612 DFRVVKHINMVGDD-UHFFFAOYSA-N 242.322 2.670 30 20 BFED C#Cc1cnc(N2CCCC[C@H]2CC(C)C)nc1 827753107 RBVSHBHQYHVPEZ-AWEZNQCLSA-N 243.354 2.863 30 20 BFED C=CCCC[C@H](C)OC(=O)[C@H]1CC1(F)F 835267843 DDKMPYLCDBXDFA-DTWKUNHWSA-N 218.243 2.930 30 20 BFED C=CCC1(C(=O)O[C@@H]2CCO[C@@H]2C)CCCC1 835315396 PKZZLWLSMCFWHI-VXGBXAGGSA-N 238.327 2.844 30 20 BFED C=CC(C)(C)COC(=O)C1CCSCC1 835724958 TZXIUCVJNRIVDM-UHFFFAOYSA-N 228.357 2.885 30 20 BFED C=CC(C)(C)C(=O)OCCc1ccc(C)cn1 835905905 ZQBUTVSJXCFEKO-UHFFFAOYSA-N 233.311 2.688 30 20 BFED C#CC(C)(C)N(C)CCOc1ccccc1C 839579942 CSLILENYIZZULV-UHFFFAOYSA-N 231.339 2.717 30 20 BFED C#CC(=O)N1CC[C@H](CC(C)(C)C)C1(C)C 840539512 KIMYCRURGGKGMX-LLVKDONJSA-N 221.344 2.683 30 20 BFED CC1(C)OCC[C@@H]1NN=C1CCC(F)(F)CC1 842536169 NNAMLCNTGBODKD-JTQLQIEISA-N 246.301 2.709 30 20 BFED CCCON=Cc1c[nH]c2ccccc12 842565219 DRNGGFLKVUWJCY-UHFFFAOYSA-N 202.257 2.928 30 20 BFED C=C(C)CON=C1CCO[C@@H](C(C)C)C1 844618194 LEUYPBSOSQPSAD-GFCCVEGCSA-N 211.305 2.770 30 20 BFED C=C[C@@H](C)ON=Cc1sccc1NC(C)=O 844621905 PMPCFULGYSZMEK-MRVPVSSYSA-N 238.312 2.632 30 20 BFED C=C[C@@H](C)ON=C1CCc2c(O)cccc21 844626004 WSFULOBXIMQDSV-SECBINFHSA-N 217.268 2.634 30 20 BFED COCC[C@@H](C)CNc1ccc(C#N)cc1C 846752310 GTVXGZYYWFENGT-LLVKDONJSA-N 232.327 2.951 30 20 BFED CC#CCCOC(=O)/C(C)=C\c1ccco1 847677803 KKGMHCHMRZVROI-KHPPLWFESA-N 218.252 2.640 30 20 BFED C#Cc1ccc(CN[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 850394030 ZIEOZJUPVOUPLO-SMLCLMEVSA-N 237.346 2.802 30 20 BFED CC(C)[C@@H](C#N)OC(=O)CC1(C#N)CCCCC1 850811199 XIEVFEJCBAXRCM-GFCCVEGCSA-N 248.326 2.942 30 20 BFED C#C[C@@](C)(CC)N[C@H](C)c1ccncc1 852102302 LCPFFSCRMHXJOM-YPMHNXCESA-N 202.301 2.534 30 20 BFED C#CCOCCOc1ccc(F)c(Cl)c1 853012694 HDCUGVRZRZPDFD-UHFFFAOYSA-N 228.650 2.508 30 20 BFED C#C[C@@H](CC)NC(=O)N(C)[C@H]1CCC(C)(C)C1 854077110 JYOSIEYNLDVWEX-RYUDHWBXSA-N 236.359 2.618 30 20 BFED C#CCCOC(=O)NCc1cccc(Cl)c1 858875353 AITGASQAAMHQNA-UHFFFAOYSA-N 237.686 2.590 30 20 BFED C#CCCOC(=O)N1CC=C(C(C)(C)C)CC1 859082566 COLIGXLLJSEQPD-UHFFFAOYSA-N 235.327 2.825 30 20 BFED C=CCCCNC(=O)OCCc1ccccc1 859139835 PPIZKFWTNVGHKZ-UHFFFAOYSA-N 233.311 2.922 30 20 BFED C#CCCOC(=O)N(C)Cc1ccc(C)c(C)c1 859182389 QRJYWAPRXQRKKI-UHFFFAOYSA-N 245.322 2.895 30 20 BFED C[C@@H](C#N)COC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 860614933 PJOWXQCQGNYKQH-ZPFDUUQYSA-N 221.300 2.516 30 20 BFED Fc1cccc(NN=Cc2cnc(C3CC3)o2)n1 863112440 SDWZJSMIJWOTHX-UHFFFAOYSA-N 246.245 2.532 30 20 BFED CCCCCCCSCCC(N)=O 863382857 WCTIHXGZWAURJZ-UHFFFAOYSA-N 203.351 2.565 30 20 BFED CCC(=NNc1cc(C)nc(N)n1)C1CCCC1 872421367 HSBYYBUZIRHFDI-UHFFFAOYSA-N 247.346 2.735 30 20 BFED C=CCN(CC=C)Cc1nc(Cl)cs1 876525767 KYTHYPFNCGXSAP-UHFFFAOYSA-N 228.748 2.971 30 20 BFED C=CC(C)(C)CC(=O)N1CCC2(CC1)CC2 878795084 GHPQAHFDLPVDBX-UHFFFAOYSA-N 221.344 2.991 30 20 BFED C=CC(C)(C)CC(=O)N1CCC(C)(OC)CC1 879381594 GTQYNTMQWAKRSP-UHFFFAOYSA-N 239.359 2.616 30 20 BFED C#CCCCCCC(=O)NC[C@H]1C=CCC1 881497126 TUGGNTLDLKKGRX-ZDUSSCGKSA-N 219.328 2.653 30 20 BFED Cc1nsc(N2CCC[C@@H](CF)C2)c1C#N 882802730 ODHDBFWNTWEPLT-VIFPVBQESA-N 239.319 2.509 30 20 BFED C=CC(C)(C)Cc1nc(C2(OC)CCC2)no1 896156786 IBWBBIQBYUPIIT-UHFFFAOYSA-N 236.315 2.850 30 20 BFED C=C1CC(c2noc(C[C@@H]3C[C@H]4CC[C@H]3O4)n2)C1 896876570 HUVPPJDDVOGVHY-MVWJERBFSA-N 246.310 2.613 30 20 BFED C[C@@H](C#N)CN(C)C(=O)C1(C2CCCCC2)CC1 906380946 WHSOTFXLUFAVFZ-LBPRGKRZSA-N 248.370 2.965 30 20 BFED C=C(Cl)COc1cccc(-c2nnco2)c1 914602059 IXFWVUDBOHMYKA-UHFFFAOYSA-N 236.658 2.868 30 20 BFED C=C(C)COC(=O)c1cc2ccsc2[nH]1 914890136 CGSIALQDQRAZGU-UHFFFAOYSA-N 221.281 2.962 30 20 BFED C=CCCOCC(=O)OC[C@H]1CC=CC[C@H]1C 920817999 VZZFGGJLVVLFLB-CHWSQXEVSA-N 238.327 2.725 30 20 BFED C#C[C@](C)(CC)NCc1coc(C(C)(C)C)n1 930600723 MZSQUFSTAMIQII-CQSZACIVSA-N 234.343 2.864 30 20 BFED C=C1CCN(C(=O)CCC2(C)CC2)CC1 932037274 BDNFRUZYVVSVJO-UHFFFAOYSA-N 207.317 2.745 30 20 BFED C=C[C@H](CC)CC(=O)N(CC)C1CCC1 933220314 APNYZNCUOILIHM-LLVKDONJSA-N 209.333 2.990 30 20 BFED N#CCC1(CNc2cc(C#N)cc(Cl)n2)CC1 1120842659 SAZWYUPZABVOIQ-UHFFFAOYSA-N 246.701 2.712 30 20 BFED C#CC[C@@H](C)OC(=O)c1ccc(C)nc1C1CC1 1122729965 KBNYPHTVVLRHOK-LLVKDONJSA-N 243.306 2.836 30 20 BFED C=C(CC(C)C)C(=O)NCc1ccc(C)c(C)n1 1123899079 SAMGSQWFWFUWJE-UHFFFAOYSA-N 246.354 2.917 30 20 BFED C=C[C@H](COC)NC(=O)CCCCC(C)(C)C 1261137191 CXUBTWJNXSCVNI-GFCCVEGCSA-N 241.375 2.910 30 20 BFED C#CCCCCCCOC(=O)[C@@H](F)CC 1263506741 GXMDUMOHVHCNIY-NSHDSACASA-N 214.280 2.861 30 20 BFED C=C(CC(C)C)C(=O)N[C@@H]1CS[C@@H](C)C1 1263841632 QBYYYFZNRZBUEK-QWRGUYRKSA-N 227.373 2.599 30 20 BFED CN(C)[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cc1 1318371460 OVMSLFOTOOGPMI-HUUCEWRRSA-N 243.354 2.843 30 20 BFED C/C(C=NNc1ccn(C)n1)=C/c1ccccc1 1321017827 RNIUEFQKPRLVDQ-JSCHWNROSA-N 240.310 2.921 30 20 BFED CC[C@H]1[C@@H](C)CCN1C(=O)c1csc(C#N)c1 1325191311 MPYRIMUGHXLWGE-CABZTGNLSA-N 248.351 2.880 30 20 BFED CCC(=CC(=O)Nc1cc(C#N)cc(C)n1)CC 1331800856 NZZGGNSZNWQVTB-UHFFFAOYSA-N 243.310 2.947 30 20 BFED CCC[C@@H](CC)C(=O)N(CC)[C@@H](C#N)CC 1337580141 FPRQEJVAUTWFSX-VXGBXAGGSA-N 224.348 2.963 30 20 BFED CCN(CCC1CC1)c1cccc(CC#N)n1 1343588283 QOTLGZHCNDFSRX-UHFFFAOYSA-N 229.327 2.774 30 20 BFED C=CC[C@H](C)NC[C@H](O)[C@@H](C)c1ccccc1 1353316114 MUOSZFRGWIMSSX-YDHLFZDLSA-N 233.355 2.705 30 20 BFED Cc1[nH]c(C#N)cc1C(=O)Nc1cccc(F)c1 1540437151 FTNIWYNXVQXDGS-UHFFFAOYSA-N 243.241 2.586 30 20 BFED C=CC[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]3CNC[C@H]3C2)C1 1574899564 AVLPWSRMOOEKJY-DGXTUMSLSA-N 248.414 2.709 30 20 BFED C=CC(C)(C)CC(=O)Nc1ccccc1C(=O)O 1588450407 IUIWHVYSHNQOAF-UHFFFAOYSA-N 247.294 2.926 30 20 BFED C[C@@H]1[C@@H](NCc2cc(C#N)ccn2)CCC[C@H]1C 1645352060 PVLHLOAZNQDBSI-XUJVJEKNSA-N 243.354 2.868 30 20 BFED C=CCC1(C(=O)O)CCN([C@H]2C=CCCC2)CC1 1776159732 YVKJEBZUKHFJIX-ZDUSSCGKSA-N 249.354 2.838 30 20 BFED CC(C)(C)NCc1ccc(C#N)cc1F 20056752 DVKXDFZIUZEKSI-UHFFFAOYSA-N 206.264 2.585 30 20 BFED Cc1cccc(NC(=O)N(C)CCC#N)c1C 33894622 RXIMCSCWJGVOKM-UHFFFAOYSA-N 231.299 2.681 30 20 BFED N#CC1(c2cc(F)cc(F)c2)CCOCC1 38302321 ZJPVGPYUEMYAHG-UHFFFAOYSA-N 223.222 2.537 30 20 BFED C=CCNC(=O)[C@@H](CC)c1ccc(F)cc1 41318003 HGTLRGQKICFPJP-LBPRGKRZSA-N 221.275 2.622 30 20 BFED Cc1ccnc(Sc2ccc(C#N)cc2)n1 51331550 HNSLZBRUJPVTMM-UHFFFAOYSA-N 227.292 2.808 30 20 BFED Cc1ccc(NC(=O)c2sccc2C#N)nc1 52034646 NRNRUEBHLZQADH-UHFFFAOYSA-N 243.291 2.576 30 20 BFED CC(C)N(C)CCN[C@@H](C)c1cccc(C#N)c1 54111387 UKXGCMNLDLPHMB-ZDUSSCGKSA-N 245.370 2.549 30 20 BFED CCC(=O)c1ccc(OCCC#N)cc1 57835666 XQDZYPLXSFLOTR-UHFFFAOYSA-N 203.241 2.572 30 20 BFED CCN(CCC#N)Cc1cc(C)c(C)cc1O 60061385 IZIBSSIFFKAQLQ-UHFFFAOYSA-N 232.327 2.745 30 20 BFED C[C@@H](CC#N)NCc1ccccc1OC(F)F 68608615 YQDONIWQJOFBOL-VIFPVBQESA-N 240.253 2.680 30 20 BFED Cc1cccc(C)c1OCCCN[C@@H](C)CC#N 68613920 KFHWUPHKLRZPOV-AWEZNQCLSA-N 246.354 2.964 30 20 BFED C#CC(C)(C)NC(=O)c1ccc2ccccc2c1 70118614 NQBVZICZSIOSPQ-UHFFFAOYSA-N 237.302 2.981 30 20 BFED C#CCN(Cc1ccco1)Cc1ccccc1O 70975769 ZWISUBORHQAFIS-UHFFFAOYSA-N 241.290 2.621 30 20 BFED C[C@@H](SCCCC(C)(C)C#N)C(=O)O 83640670 JRNZYZJLZSJUPE-MRVPVSSYSA-N 215.318 2.523 30 20 BFED CCCc1ncc(C(=O)O[C@H](C#N)CC)s1 84709930 CMFDKXMGNVVYFE-QMMMGPOBSA-N 238.312 2.555 30 20 BFED CC1(C)C[C@@H]1Nc1c(C#N)nnc2ccccc12 85920365 RCYYUTLKWIXCJW-LBPRGKRZSA-N 238.294 2.712 30 20 BFED CC1(C)CCN(Cc2cccc(C#N)c2)C1 91439732 NAWCWJMZGMQMOI-UHFFFAOYSA-N 214.312 2.790 30 20 BFED C=C(Cl)CN1CCc2cc(F)ccc2C1 91896856 AUHJVAIMFYNLGO-UHFFFAOYSA-N 225.694 2.936 30 20 BFED C=CC[C@@H]1CN(Cc2ccccc2)CCC1=O 98178505 FVQPGEUORCBSDI-CQSZACIVSA-N 229.323 2.654 30 20 BFED CSc1ccc(Oc2nccnc2C#N)cc1 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30 20 BFED C=C[C@@H](CC)CC(=O)N1CCC(F)CC1 829206182 SKEQIADBXRWKIW-JTQLQIEISA-N 213.296 2.549 30 20 BFED CCc1ccc(N(CC#N)CC2CC2)cc1 831576799 KJQIXWPVKRVODF-UHFFFAOYSA-N 214.312 2.989 30 20 BFED CN1CCN(N=C2CCCC23CCCCC3)CC1 834914908 VENOIFNRWYFGIA-UHFFFAOYSA-N 249.402 2.724 30 20 BFED COCC1CCC(=NOCC(F)(F)F)CC1 834966092 YHBHZIHOBMRIBT-UHFFFAOYSA-N 239.237 2.758 30 20 BFED CC(=NOC1CCCCC1)c1ccncn1 834971290 BXXKOHKYQXFVPQ-UHFFFAOYSA-N 219.288 2.550 30 20 BFED C[C@H]1CC[C@@H](C)CC1=NOC[C@@H]1CCOC1 834973131 MLQFXBWGIZFRBH-GRYCIOLGSA-N 225.332 2.852 30 20 BFED CC[C@H]1CCCC1=NNc1ccc(C(=O)O)nc1 835007018 OPRXVOPNVCZEHE-VIFPVBQESA-N 247.298 2.758 30 20 BFED C=CCON=C1CCCC[C@@H]1CC(=O)OCC 835013402 RIDDJVHEBJMYGG-LLVKDONJSA-N 239.315 2.688 30 20 BFED CCc1ccc(C=NN[C@@H]2CCOC2(C)C)cc1 835015584 RRQGVRSNWDYVNI-CQSZACIVSA-N 246.354 2.740 30 20 BFED CC1(C)OCC[C@@H]1NN=C1CCC12CCCC2 835017864 ZTFJPTYBMFNJOF-NSHDSACASA-N 236.359 2.854 30 20 BFED N#CCC1(COC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)CC1 835187699 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2.655 30 20 BFED CC[C@H](CC#N)NCc1cc(O)cc(Cl)c1 893606109 MNKVEAAKJRLGPZ-LLVKDONJSA-N 238.718 2.827 30 20 BFED CCC#CCOC(=O)c1scnc1C(C)C 893843435 MKBZNQJYHNYVCE-UHFFFAOYSA-N 237.324 2.837 30 20 BFED CCOc1cccc(/C=N/C/C=C/Cl)c1O 899234174 UWOKCHOYVJJHRH-CEOICYJGSA-N 239.702 2.962 30 20 BFED N#Cc1ccnc(CSCCCF)c1 901780612 YWACTXLTVNLIRW-UHFFFAOYSA-N 210.277 2.546 30 20 BFED C[C@@H](C#N)OCCSCc1ccsc1 901787201 JYXPKZQMCFBJCI-VIFPVBQESA-N 227.354 2.910 30 20 BFED N#CCCCSCCCOC(F)(F)F 902458356 IVFWDDSGQUFUAQ-UHFFFAOYSA-N 227.251 2.950 30 20 BFED C=CC[S@](=O)CCc1ccccc1Cl 905224297 OCWLXLIGVMYDLY-AWEZNQCLSA-N 228.744 2.817 30 20 BFED C=CCCCC(=O)NN1[C@H](C)CCC[C@H]1C 907987408 CIAVUJWRZYMLSF-VXGBXAGGSA-N 224.348 2.637 30 20 BFED C=CCNC(=S)N1C[C@H](C)c2ccccc21 916005529 GEZOCLUKNXOUGF-JTQLQIEISA-N 232.352 2.671 30 20 BFED C=C(C)CNCc1ccc(OC)cc1C 922112935 GUZIWTQDYAMTSN-UHFFFAOYSA-N 205.301 2.669 30 20 BFED C#CCN(C(=O)N[C@H](C1CCC1)C1CC1)C(C)C 922819030 YCCUGARCDKJYOF-CQSZACIVSA-N 248.370 2.618 30 20 BFED C#CCN(C(=O)[C@H](C)c1cccc(F)c1)C(C)C 928627261 OKGZPTQDNXCZFW-GFCCVEGCSA-N 247.313 2.799 30 20 BFED C=C[C@@H](CC)CC(=O)NCc1cccs1 929280210 MBMNFXQAFFOFIF-JTQLQIEISA-N 223.341 2.967 30 20 BFED COc1cccc(CN2CCC[C@H](C#N)C2)c1C 932152372 PRGLBPHTLJXTQA-CYBMUJFWSA-N 244.338 2.739 30 20 BFED C=C[C@@H](CC)CC(=O)N1CCC[C@](C)(OC)C1 935734768 BCVYZERGEJTIRI-JSGCOSHPSA-N 239.359 2.616 30 20 BFED C=C[C@H](CC)CC(=O)NC[C@](C)(OC)C1CC1 936065422 FABUNGBVTKHSRF-RISCZKNCSA-N 239.359 2.520 30 20 BFED C=CCCO[C@@H](C)c1nnc(-c2ccncc2)o1 1117166767 FHYCULCNYVBJSG-JTQLQIEISA-N 245.282 2.785 30 20 BFED C=CCC1(NC(=O)c2ocnc2CC)CCCC1 1120756406 KHXMZPYKYXJQKN-UHFFFAOYSA-N 248.326 2.856 30 20 BFED C=CCC(C)(C)C(=O)N1CCCSC1 1120783777 JZSRSEDBDQKMIQ-UHFFFAOYSA-N 213.346 2.512 30 20 BFED Cc1occc1CNCc1cc(C#N)ccc1F 1179593163 OFCPLWMKLNTMMM-UHFFFAOYSA-N 244.269 2.889 30 20 BFED N#Cc1ccc(F)c(-c2nnc(C3CC3)o2)c1 1254125801 CUUCPEGWWBTXKT-UHFFFAOYSA-N 229.214 2.625 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)[C@H]1CC1(C)C 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30 20 BFED Cc1ccc(C(=O)OCCCC#N)s1 58817438 LJJFYFMIMAXNGW-UHFFFAOYSA-N 209.270 2.517 30 20 BFED C=CCc1cc(OC)ccc1OC(=O)C1CC1 60439151 ZTGPBIWDQMQOMX-UHFFFAOYSA-N 232.279 2.739 30 20 BFED C=C(C)CN(CC)C(=O)c1cc(C(C)C)nn1C 81828143 WJJFCFXLRSMHJM-UHFFFAOYSA-N 249.358 2.582 30 20 BFED CC[C@@H](C#N)OC(=O)Cc1c[nH]c2ccccc12 84710951 JYJHYYDHAVPRIL-NSHDSACASA-N 242.278 2.556 30 20 BFED N#CC[C@H](O)c1ccc(F)c(Br)c1 85878542 XUPUAFFMXBEDJW-VIFPVBQESA-N 244.063 2.535 30 20 BFED C=C(Cl)CSc1nnc(C)n1CCC 89636458 VIPRCFQEHAIRCH-UHFFFAOYSA-N 231.752 2.841 30 20 BFED CCN(Cc1cc(F)cc(F)c1)C[C@H](C)C#N 91982321 YHJRIKVLLHJCQL-SNVBAGLBSA-N 238.281 2.946 30 20 BFED C=CCOc1ccc(CN(CC#N)CCC)cc1 92397987 IOIGBBIHBWGOEU-UHFFFAOYSA-N 244.338 2.987 30 20 BFED C=CC[C@H](C)NCc1ccccc1OC 116927083 CHQAQIGSRAIJAE-NSHDSACASA-N 205.301 2.749 30 20 BFED Cc1oc2ccccc2c1CNC[C@H](C)C#N 123305521 FFIAGHFWDWPOHN-SNVBAGLBSA-N 228.295 2.991 30 20 BFED C[C@@H](c1ccccc1F)[S@](=O)CCCC#N 123462523 PASZMPWHSCMZSX-QFYYESIMSA-N 239.315 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2.567 30 20 BFED C/C=C(\C)C(=O)[C@H](C#N)c1nc(C)cs1 178413518 QPLSQUPLBLKEEX-IYNCYZAOSA-N 220.297 2.594 30 20 BFED CCN(CC)C(=O)Nc1cccc(C#N)c1C 178577569 IAOVDBAMFFAUTP-UHFFFAOYSA-N 231.299 2.740 30 20 BFED CCCCCCCC(=O)Oc1cnn(C)c1 179030871 DEEAHFIQCXYHGW-UHFFFAOYSA-N 224.304 2.686 30 20 BFED C#CCCCNc1ccc(OC(F)F)cn1 179598663 QGQFOOWZJOYWDN-UHFFFAOYSA-N 226.226 2.508 30 20 BFED C#CCNC(C)(C)c1ccc(CC)cc1 180103127 MJMJOCFJTWIBMV-UHFFFAOYSA-N 201.313 2.707 30 20 BFED C=C(C)CN(C)C(=O)Cc1ccccc1Cl 180428352 KGUDMIBAPVDHLE-UHFFFAOYSA-N 237.730 2.917 30 20 BFED C=C(C)CN(C)C(=O)[C@H]1CCO[C@H](CCC)C1 181486867 WHVPZXMHWSSYTN-QWHCGFSZSA-N 239.359 2.616 30 20 BFED C=CCCC[C@@H](C)NC(=O)C[C@@H](C)SC 182608330 YRQDZLFLHWYZAI-GHMZBOCLSA-N 229.389 2.989 30 20 BFED C=CCCC[C@@H](C)NC(=O)NCc1ccncc1 183502120 NLESWSIEMCEFAI-GFCCVEGCSA-N 247.342 2.626 30 20 BFED C#C[C@@H](C)NC(=O)Cc1ccc(CC(C)C)cc1 186089595 MIHPMNGQLFMPKR-CYBMUJFWSA-N 243.350 2.566 30 20 BFED C#C[C@@H](C)NC(=O)N(C)[C@H](C)c1ccc(C)cc1 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229.283 2.866 30 20 BFED CC[C@H](CC#N)NC(=O)C(C)(CC)CC 159489515 CZVNRFKQWDWHGU-SNVBAGLBSA-N 210.321 2.621 30 20 BFED C=C(C)CNCc1cncc(Br)c1 160314208 XAWDOZFVVZGIHE-UHFFFAOYSA-N 241.132 2.510 30 20 BFED C=CCN(C)C(=O)NCC1CCC(C)CC1 163119347 HHSMOVUBWWQUPI-UHFFFAOYSA-N 224.348 2.640 30 20 BFED C=CCN(C(=O)c1ccc(C#N)cc1)C(C)(C)C 165325476 NJQQPDWPEVXDGU-UHFFFAOYSA-N 242.322 2.985 30 20 BFED O=CCC(=O)c1cc2ccccc2s1 166172307 ZSGSQVXPLVGVGT-UHFFFAOYSA-N 204.250 2.673 30 20 BFED C#C[C@H](C)NCc1ccc(C(F)F)cc1 166411488 JVVRFQCUBPBSHV-VIFPVBQESA-N 209.239 2.736 30 20 BFED CC#CCNc1ccc(C(F)(F)F)cn1 167990164 JGDBMJSZZAPXKY-UHFFFAOYSA-N 214.190 2.536 30 20 BFED CCN(C(=O)[C@@H]1C[C@@H]1C)c1ccc(C#N)cc1 174077749 UXCVOWSWBFQOQV-GXFFZTMASA-N 228.295 2.567 30 20 BFED C=C(C)CCOC(=O)CCc1cscn1 174800941 CBISHTSNWCHFGP-UHFFFAOYSA-N 225.313 2.585 30 20 BFED CC(C)C1(CNC(=O)c2cccc(C#N)c2)CC1 177405266 SDLXSJLCXRHWPU-UHFFFAOYSA-N 242.322 2.724 30 20 BFED CN(C)[C@H]1CCC[C@H](/N=C/c2ccccc2O)C1 178704078 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30 20 BFED C[C@@H](CC1CCCC1)C(=O)N(C)C[C@@H](C)C#N 358177429 UQKAPPFRQZQDPH-RYUDHWBXSA-N 236.359 2.821 30 20 BFED C=CCOCCCOc1cc(F)cc(F)c1 358557838 DOQYMMQLOSSALK-UHFFFAOYSA-N 228.238 2.936 30 20 BFED CC(C)(C)[C@H]1CCCN(C(=O)CCCC#N)C1 360488714 KCZKOEMRKNKFED-LBPRGKRZSA-N 236.359 2.965 30 20 BFED C[C@H]1C[C@H]1CC(=O)N(CC#N)c1ccccc1 361718408 VVHYULZZVFBJPY-RYUDHWBXSA-N 228.295 2.589 30 20 BFED CC[C@@H](C)CC(=O)N[C@@](C)(C#N)C(C)(C)C 362489693 PGDJPYKYJHPSGB-MFKMUULPSA-N 224.348 2.867 30 20 BFED C=C[C@@H](C)NC(=O)Nc1ccccc1COC 362628102 QMYKBGLAKGVUFT-SNVBAGLBSA-N 234.299 2.529 30 20 BFED C=CC[C@@H](CO)CN[C@@H](CC)CCCC 379915812 CBRSKOATGDXHMG-OLZOCXBDSA-N 213.365 2.729 30 20 BFED C#Cc1cccc(N[C@@H](C)[C@@H]2CCCO2)c1 380974048 BCFNAWLZRMIOAG-FZMZJTMJSA-N 215.296 2.647 30 20 BFED C=C[C@@H](COC)N[C@H](C)c1ccccc1C 381290073 CTGPNAHNHSRJSX-OLZOCXBDSA-N 219.328 2.847 30 20 BFED C#C[C@@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)C(C)(C)C 381449939 GPWBCMFIECQSQS-XDQVBPFNSA-N 217.356 2.836 30 20 BFED 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MWBQLKDUURJNCD-RWMBFGLXSA-N 248.370 2.869 30 20 BFED C=CC[C@H](C)[C@H](C)NC[C@@H]1CCCCN(C)C1 624120986 LHCSIISYCBCXGD-KKUMJFAQSA-N 238.419 2.909 30 20 BFED C=CC1CCN(C[C@@H](CCC)OC)CC1 638073299 UJRXCJPFICOLRH-CYBMUJFWSA-N 211.349 2.700 30 20 BFED C=CCC1(N[C@@H]2CS[C@H](C)C2)CCOCC1 639314231 IQNHJIGSBHWHMX-NEPJUHHUSA-N 241.400 2.595 30 20 BFED C=C1CCN([C@H](C(=O)O)c2ccccc2F)CC1 652410254 QDJAOEPRNLPDGB-ZDUSSCGKSA-N 249.285 2.603 30 20 BFED C=CCCn1cc(CN2CCCC[C@H]2CC)nn1 653488461 WUGGKGRCQFIUER-CQSZACIVSA-N 248.374 2.619 30 20 BFED C=CCN(Cc1nc(CCC)no1)C(C)(C)C 661755056 HOVHCSQTZFVAQM-UHFFFAOYSA-N 237.347 2.809 30 20 BFED CC(=O)c1ccc(C#N)cc1N1CC[C@H]2C[C@H]2C1 664523413 HYCGVUHFGDUQLQ-STQMWFEESA-N 240.306 2.607 30 20 BFED C=C(CNC(=O)NC1CC=CC1)c1ccccc1 672947315 YLDQIYKLOVYTPW-UHFFFAOYSA-N 242.322 2.718 30 20 BFED C=C1CCN(Cc2ccc(OCC)cn2)CC1 674863338 HRPANYQWZICLRD-UHFFFAOYSA-N 232.327 2.632 30 20 BFED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C)nc1 683742598 SYGCZLJFZUOEBK-CYBMUJFWSA-N 245.326 2.962 30 20 BFED C=C[C@@H](C(=O)O)N1[C@H]2CC[C@H]1c1ccccc12 700396663 KOCGKCSUZZIZSB-AVGNSLFASA-N 229.279 2.517 30 20 BFED C#C[C@H](NCc1ccc(OC)c(F)c1)C(C)(C)C 702310032 IHITWKQETPCWJF-AWEZNQCLSA-N 249.329 2.972 30 20 BFED CNc1ccc(OC(C)(C)C)c(C#N)c1 725415598 FKOBTTAXEUTBSC-UHFFFAOYSA-N 204.273 2.777 30 20 BFED C#CCCCOC(=O)c1cccc(F)c1F 727039092 KARNPRPXLNYOIM-UHFFFAOYSA-N 224.206 2.535 30 20 BFED C=CC[C@H](C)C(C)=NNc1oc(C)nc1C#N 727779034 WQXWAMVBQFUXLW-QMMMGPOBSA-N 232.287 2.855 30 20 BFED CCCNN=C1C[C@@H](OCC)C1(CC)CC 748249414 YDSIXWXCFPFCDV-GFCCVEGCSA-N 226.364 2.957 30 20 BFED COCCON=C1CCC[C@H](C2CC2)C1 748791645 MVZINCLBOFLFRS-NSHDSACASA-N 211.305 2.606 30 20 BFED C#CC(=O)N(Cc1ccc2ccccc2c1)C1CC1 753959404 WYIMYEYDIYHJJK-UHFFFAOYSA-N 249.313 2.964 30 20 BFED C(=NNC1CC1)c1csc(-c2cccs2)n1 758128396 YCUDTDNZGMFBEP-UHFFFAOYSA-N 249.364 2.958 30 20 BFED C=C[C@@H](CC(=O)OCC(=O)CC)c1ccccc1 758909247 UZZDGOSKEPQDLM-LBPRGKRZSA-N 246.306 2.869 30 20 BFED C#CCCc1noc(C[C@@H](C)CC(C)C)n1 761998801 HTNVMYUNEGQCGE-NSHDSACASA-N 220.316 2.860 30 20 BFED C#CCN(C(=O)NC[C@H]1CCCC[C@@H]1C)C1CC1 764692347 MMGGTWCABVKXQC-QWHCGFSZSA-N 248.370 2.620 30 20 BFED Cc1cc(O)c(C=NOCC(F)(F)F)cc1C 764840025 MAMLIFIBXCCJRJ-UHFFFAOYSA-N 247.216 2.922 30 20 BFED CC(=NOCC(F)(F)F)c1cnn(C(C)C)c1 764844144 GUAAFDQAQRTTBK-UHFFFAOYSA-N 249.236 2.767 30 20 BFED CC(=NNc1cc(C)ccc1C)c1ccnn1C 766000981 CIPXAMAESPMGBX-UHFFFAOYSA-N 242.326 2.873 30 20 BFED FC(F)CNN=C1CCC(C(F)(F)F)CC1 766025211 NZRNUHTXPPYBHP-UHFFFAOYSA-N 244.207 2.950 30 20 BFED N#CC1(COC(=O)C=C(C2CC2)C2CC2)CCC1 768095896 YFLNRQHAHDLTTO-UHFFFAOYSA-N 245.322 2.970 30 20 BFED CCC#C[C@H](C)N[C@@H](C)c1cc(OC)ccc1O 775370924 XIHCBDJWXDRMMX-RYUDHWBXSA-N 247.338 2.853 30 20 BFED C[C@@H]1CC[C@H](CC(=O)OCC2(C#N)CC2)C1 775865939 PABNCKBAZMFFHS-MNOVXSKESA-N 221.300 2.660 30 20 BFED C=CCCC[C@H](C)NC(=O)[C@H](O)c1ccccc1 776014947 DJXMWHIORBKSFT-GXTWGEPZSA-N 247.338 2.581 30 20 BFED N#C[C@@H](OC(=O)c1ccoc1)C1CCCCC1 776369450 NMHMSNSVJKRKMU-GFCCVEGCSA-N 233.267 2.909 30 20 BFED C#CCCCCC(=O)O[C@@H]1CC[C@H](C)C1 779262562 JFYMMWSMILUDNQ-NWDGAFQWSA-N 208.301 2.912 30 20 BFED C[C@@H]1C[C@H]1C(=O)OCc1ccc(Cl)cc1C#N 780038666 PLBVNXBBLICKFL-PRHODGIISA-N 249.697 2.911 30 20 BFED COc1ccc(NN=CC2CCCC2)nc1 780277088 UPIAQDCHNRFGDZ-UHFFFAOYSA-N 219.288 2.678 30 20 BFED C=C[C@](C)(CC)C(=O)OCCCC(C)=O 785753124 IWDCSOPWOWEIST-GFCCVEGCSA-N 212.289 2.501 30 20 BFED N#C[C@]1(F)CCN(C[C@H]2CCc3ccccc32)C1 786436986 NJNJRLLJFOZGQW-UKRRQHHQSA-N 244.313 2.654 30 20 BFED CC(=NNCC1(C)CCCC1)[C@H]1CCCO1 793081852 OFEMUHMMNVXBOU-GFCCVEGCSA-N 224.348 2.711 30 20 BFED FC(F)CNN=Cc1ccc(C(F)F)cc1 794514769 NFWWIMSONMJDJZ-UHFFFAOYSA-N 234.196 2.813 30 20 BFED Cc1cnn(C)c1/C=C/C(=O)c1ccccc1F 794689443 BUYDRGZYBALNPT-BQYQJAHWSA-N 244.269 2.764 30 20 BFED C#C[C@@H](NC(=O)N[C@H](C)CCCCC)C(C)C 798510802 YMUUDEXVNXRNPG-CHWSQXEVSA-N 238.375 2.912 30 20 BFED CC[C@@H](C)NN=C(C)c1coc(C(C)C)n1 799485339 KCUXTWMRNIAOQH-SECBINFHSA-N 223.320 2.910 30 20 BFED C=CCCCCCCNC(=O)[C@@H]1CCCOC1 805218499 BGZRXHDQJPQBBJ-CYBMUJFWSA-N 239.359 2.666 30 20 BFED C=CCCCCCCNC(=O)c1n[nH]cc1C 805219140 YNMDTAUNRBJJND-UHFFFAOYSA-N 235.331 2.584 30 20 BFED COc1ccsc1C=NNCC1CCCC1 808007299 YPMULQHWCKPXAU-UHFFFAOYSA-N 238.356 2.870 30 20 BFED C=CCCC[C@@H](C)NC(=O)C(C)(F)F 808466013 OOWNJICSLGOEEM-MRVPVSSYSA-N 205.248 2.503 30 20 BFED CCON=Cc1cc(O)cc(C(F)(F)F)c1 811636848 MHBHCVJGAZROCU-UHFFFAOYSA-N 233.189 2.781 30 20 BFED C#CCON=Cc1ccc(Cl)cc1C 812233407 RBJGBXJBFDLOGF-UHFFFAOYSA-N 207.660 2.632 30 20 BFED CCOC(=O)C1CCC(=NOCC2CC2)CC1 814243617 GNDQFTAXFSZPAO-UHFFFAOYSA-N 239.315 2.522 30 20 BFED C[C@H]1CCC(=NNc2ccc([N+](=O)[O-])cn2)C1 814805779 IAXWVXWAJHWNLW-QMMMGPOBSA-N 234.259 2.578 30 20 BFED Cc1cc(NN=Cc2ccsc2C)nc(C)n1 814807001 AUBXSVFXJUZXHD-UHFFFAOYSA-N 246.339 2.909 30 20 BFED CSCCCC=NNc1cc(C)ccn1 814868007 SRSNUJARVCVRAS-UHFFFAOYSA-N 223.345 2.931 30 20 BFED CCCC(=NOC1CCOCC1)c1cccnc1 814906290 NTVBEICWEIKDCU-UHFFFAOYSA-N 248.326 2.781 30 20 BFED C#CCN(CC#N)C[C@H](C)C1CCCCC1 815106848 BIXQJKJKYJACRP-ZDUSSCGKSA-N 218.344 2.662 30 20 BFED C=CCC(F)(F)C(=O)OC[C@H](C)CC 815313575 MLHQILKLJIVHNJ-MRVPVSSYSA-N 206.232 2.787 30 20 BFED C[C@@]1(C(=O)Oc2ccc(C#N)cc2)CC1(F)F 817422717 MUSPNNUJQCDMMJ-NSHDSACASA-N 237.205 2.509 30 20 BFED C#CC1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 826710338 IOMZDQPDWURZNR-UHFFFAOYSA-N 244.294 2.753 30 20 BFED CCC(=NNc1ncccc1[N+](=O)[O-])C1CCC1 834961947 SNTKZEYDXSNBDM-UHFFFAOYSA-N 248.286 2.968 30 20 BFED CC(C)ON=CCCc1ccc2c(c1)CCO2 835002930 PKBSOVKZRFEHHS-UHFFFAOYSA-N 233.311 2.965 30 20 BFED O=C(O)c1ccc(NN=C2CC3(CC3)C2)cc1F 835009411 SHKJCFLHOVIKPO-UHFFFAOYSA-N 248.257 2.866 30 20 BFED C#CC[C@@H](OC(=O)/C=C(\C)CC)C1CC1 835209765 IMUGCBWURBGYLU-BZYZDCJZSA-N 206.285 2.688 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)OCC1(C)CCCC1 835243342 LUCXRGZAJGDSAV-NEPJUHHUSA-N 238.327 2.701 30 20 BFED C=CC(C)(C)COC(=O)c1c[nH]cc1C 835727018 XVGDJBAXRGSMOX-UHFFFAOYSA-N 207.273 2.692 30 20 BFED CC(C)(C)C#CC(=O)N1CCCC(C)(C)C1 837412843 OSUCIFQELAXNMS-UHFFFAOYSA-N 221.344 2.685 30 20 BFED C=CCC1(C(=O)OCc2ncccn2)CCCC1 838284707 OHZMMYLCPSRAJJ-UHFFFAOYSA-N 246.310 2.656 30 20 BFED CON(CCC#N)C[C@@H]1CCC[C@@H](C)C1 839606180 OAIPEGHKYAUASW-VXGBXAGGSA-N 210.321 2.590 30 20 BFED C=C(C)CNC(=S)NCC(C)(C)C1CCC1 840794361 ITXCHOAGSYOHEY-UHFFFAOYSA-N 240.416 2.853 30 20 BFED C=C(C)CN(CC)C(=O)Nc1ccc(N)cc1 841300525 REAOUIVMWALGBX-UHFFFAOYSA-N 233.315 2.699 30 20 BFED CCN(CCO)N=C(C)c1ccc(C(C)C)cc1 842534646 UQRGABGYEGDEEU-UHFFFAOYSA-N 248.370 2.848 30 20 BFED CCCON=C1CS[C@@H](C(C)C)C1 842550605 JHPSVZYNBWJUGQ-SNVBAGLBSA-N 201.335 2.931 30 20 BFED CCCON=Cc1csc(C2CC2)n1 842558194 VBCDBLBZWYWWTA-UHFFFAOYSA-N 210.302 2.781 30 20 BFED C=CCC[C@H](OC(=O)c1ccn(CC)n1)C1CC1 842740169 NARGCUGKTNQVOB-ZDUSSCGKSA-N 248.326 2.805 30 20 BFED C/C=C(\C)COC(=O)c1ccc(C#N)s1 842845954 IEMVYOXCOUCXHN-FPYGCLRLSA-N 221.281 2.743 30 20 BFED C=C(Cl)CSCc1nc(C2CC2)nn1C 843305348 XPXRBOYZGHKOJS-UHFFFAOYSA-N 243.763 2.678 30 20 BFED CCC/C(C)=C\C(=O)Nc1cccc(C#N)n1 843612688 KZHGZRPCFACRPO-NTMALXAHSA-N 229.283 2.638 30 20 BFED C[C@@H](NN=Cc1ccc(O)cc1F)C(C)(C)C 844597008 GCKACNKZHVXIQN-SECBINFHSA-N 238.306 2.889 30 20 BFED C=C[C@@H](C)ON=C1CCN(Cc2ccccc2)C1 844623808 JHQLEWIGJVWDMG-CYBMUJFWSA-N 244.338 2.839 30 20 BFED C=C(C)[C@H](C)OC(=O)c1cnc2n1[C@@H](C)CCC2 845515549 XOIKJLBHACQOTE-QWRGUYRKSA-N 248.326 2.902 30 20 BFED Cc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@H](C)CC#N 850841566 FLFDHAVKSMJDLY-KWCYVHTRSA-N 243.306 2.944 30 20 BFED CCCC[C@@](C)(F)C(=O)[C@H](C#N)c1ccncn1 850948056 NEHYENRUPJHUKM-ZWNOBZJWSA-N 249.289 2.571 30 20 BFED C[C@H](CC(C)(C)C#N)OC(=O)[C@H]1CC1(C)C 851208555 YPUOJTLTIBFPIJ-NXEZZACHSA-N 223.316 2.904 30 20 BFED CC[C@@H]1COCC1=NOCc1ccc(F)cc1 853333202 DWSIKOQAXFFQJP-LLVKDONJSA-N 237.274 2.755 30 20 BFED C#Cc1cccnc1N1CC[C@@H](CC(C)C)C1 853397152 LPWRLDJYNMEHTC-ZDUSSCGKSA-N 228.339 2.935 30 20 BFED C#C[C@@H](CC)NC(=O)N1C[C@H](C)c2ccccc21 854070842 SLVSKEPIWWVUKY-RYUDHWBXSA-N 242.322 2.732 30 20 BFED C#CCCOC(=O)NC1(c2cccc(F)c2)CC1 859010056 RSRXUSFWTRGSFO-UHFFFAOYSA-N 247.269 2.564 30 20 BFED C=C(CC)COC(=O)[C@@H](CCC)OCC 859841093 WJRWRSGFDORQOB-LLVKDONJSA-N 214.305 2.701 30 20 BFED C=CCCOC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 859855385 POOVTJCPFPQIJH-MGPQQGTHSA-N 228.291 2.692 30 20 BFED C#CCCOC(=O)Cc1ccc(F)c(Cl)c1 860026511 NQGRCBKJJBIEGQ-UHFFFAOYSA-N 240.661 2.588 30 20 BFED C#CCCCCCCNCCc1ccco1 876893119 ILGMZXMICGHVDV-UHFFFAOYSA-N 219.328 2.995 30 20 BFED C=C(CC)CNC(=O)N(CC(F)F)C1CCC1 884400786 TXJDSMXSBOIMNJ-UHFFFAOYSA-N 246.301 2.782 30 20 BFED C=CC1(OC(=O)c2oc(C)cc2C)CC1 893362747 JQFVLDUNGVIDHR-UHFFFAOYSA-N 206.241 2.772 30 20 BFED C=CC1(OC(=O)Cc2cc(C)ccc2OC)CC1 893366275 YEEYRSNCPRLILR-UHFFFAOYSA-N 246.306 2.808 30 20 BFED C=CC[C@@H](CC)NCc1cnn(C)c1C1CC1 894232861 LIGKJEQRQVOUEZ-CYBMUJFWSA-N 233.359 2.742 30 20 BFED C=CC(C)(C)C(=O)Nc1cccc(OC)c1OC 894308347 BXPAEMAEBUWHLF-UHFFFAOYSA-N 249.310 2.855 30 20 BFED C=CCCCCn1cc(-c2ccc(N)cc2)nn1 900525009 RBPZGVCKHRYZEC-UHFFFAOYSA-N 242.326 2.884 30 20 BFED CC[C@H](C)CON=Cc1cnc(F)cc1C 901247025 WZSXKNSKXOLHCA-VIFPVBQESA-N 224.279 2.926 30 20 BFED C#CCCCCCCN(CC(=O)O)[C@H](C)CC 901990093 WFJJDFMBADOPNG-CYBMUJFWSA-N 239.359 2.755 30 20 BFED N#CCCn1nc(C(F)F)cc1C(F)F 905017143 HPQVVHCNBXHOSS-UHFFFAOYSA-N 221.157 2.672 30 20 BFED C=CC[S@@](=O)c1nc(C(C)C)cs1 905183047 MROKOQXMUALPJG-CYBMUJFWSA-N 215.343 2.560 30 20 BFED C=CCCCNC(=O)c1ccc(Cl)nc1F 907852945 PAXUAAGZVJYRMK-UHFFFAOYSA-N 242.681 2.570 30 20 BFED C=CCCC[C@@H](N)C(=O)N[C@H](C)CCCCC 911939988 ZXZBCEKMTQRYAX-CHWSQXEVSA-N 240.391 2.755 30 20 BFED C=C(C)CNc1cccc(C(=O)NCCC)c1 917814941 INOHANYFPUVOBO-UHFFFAOYSA-N 232.327 2.814 30 20 BFED C=CCCCCS(=O)(=O)c1ccc(F)cc1 919968009 SWTYBONYKGMUNW-UHFFFAOYSA-N 242.315 2.956 30 20 BFED CCSc1ccccc1CN(C)CC#N 929492717 UCPZITHXCSETIC-UHFFFAOYSA-N 220.341 2.754 30 20 BFED CC[C@H](NCCC#N)c1cc(F)ccc1OC 932476702 JONTVIGJHDKUJQ-LBPRGKRZSA-N 236.290 2.789 30 20 BFED C=C1CCC(C(=O)N[C@H](C#N)C2CCCC2)CC1 1119604714 FXCZKACTQSBBKW-CQSZACIVSA-N 246.354 2.931 30 20 BFED C#Cc1ccc(N2CCC[C@@H]2c2ccccn2)nc1 1120805353 GTRMIAWLXAOPCE-OAHLLOKOSA-N 249.317 2.799 30 20 BFED CCCC[C@H](CC)C(=O)[C@@H](C#N)c1nccn1C 1263333237 IOAPZDLPGJOFRE-NWDGAFQWSA-N 247.342 2.813 30 20 BFED C[C@H]1C[C@H](C)CCC1=NNCC1CCOCC1 1320143843 VBYWWLAJKVPBGR-NEPJUHHUSA-N 238.375 2.815 30 20 BFED CC[C@H]1[C@H](C)CCN1C(=O)c1csc(C#N)c1 1325191313 MPYRIMUGHXLWGE-SKDRFNHKSA-N 248.351 2.880 30 20 BFED C#CCN(CC1CC1)C(=O)c1ccc(C=C)cc1 1325726322 ZNFFIZHPTQZBSN-UHFFFAOYSA-N 239.318 2.815 30 20 BFED Cn1ccc(NN=C2CC(c3ccccc3)C2)n1 1326240575 RHDHYUKOPQJGLJ-UHFFFAOYSA-N 240.310 2.766 30 20 BFED C=CC[C@H](N[C@H]1CCC[C@@H](C2CC2)C1)C(=O)O 1331931226 AMJKWASZSTUWRS-AGIUHOORSA-N 237.343 2.574 30 20 BFED C[C@H]1CCC(=NNCC2CCOCC2)C[C@H]1C 1338052852 RZTARXPHUULGKW-NWDGAFQWSA-N 238.375 2.815 30 20 BFED C=C[C@H](C(=O)NC1(C)CC1)c1ccccc1 1346455812 RNQNBXZQRHSQFW-LBPRGKRZSA-N 215.296 2.625 30 20 BFED C=C(C)CCC(=O)NCc1cccc(C#N)c1 1353466433 GIWLVAUGYRPOHC-UHFFFAOYSA-N 228.295 2.531 30 20 BFED C=CC[C@H](C(=O)O)N(C)Cc1ccc(C)c(C)c1 1588727745 FRPJUGLZYOMPHJ-CQSZACIVSA-N 247.338 2.765 30 20 BFED C=CC[C@]1(C(=O)O)CCCN(CCCC)C1 1776156514 QSTIPJYHZMSQAG-ZDUSSCGKSA-N 225.332 2.529 30 20 BFED C#CCOc1ccccc1CN[C@@H](C)CC 20085655 JTCMMZIDQREKBF-LBPRGKRZSA-N 217.312 2.587 30 20 BFED CCN(CCCOc1ccc(C#N)cc1)C1CC1 34674458 XJSCCCLKHDFNCS-UHFFFAOYSA-N 244.338 2.811 30 20 BFED CCCC[C@@H](Nc1ccc(C#N)cc1)C(=O)O 35411099 YDLMUSFKWZQMAI-GFCCVEGCSA-N 232.283 2.614 30 20 BFED C=CCNC(=O)[C@@H](C)Cc1ccc(Cl)cc1 36173857 MRDBPERCJQOUFE-JTQLQIEISA-N 237.730 2.821 30 20 BFED COc1ccc2ccccc2c1CNCCC#N 37247898 FXIKMCKSHLRXEK-UHFFFAOYSA-N 240.306 2.852 30 20 BFED CC[C@@H]1CCCN(c2nnc(C)c(C)c2C#N)C1 40218081 ZRNNLVGXHREFQV-GFCCVEGCSA-N 244.342 2.592 30 20 BFED CC[C@H](C#N)NC(=O)c1c(F)cccc1Cl 40350719 PXJFZWFZNJGVSD-SSDOTTSWSA-N 240.665 2.511 30 20 BFED C=CCNc1ccc(Cl)c(C(=O)O)c1 41571899 PKEJYCZQYNDKLM-UHFFFAOYSA-N 211.648 2.636 30 20 BFED Cc1cc(C)cc(CN(C)C[C@H](C)C#N)c1 42461118 CQNRMBGPIDHFTF-CYBMUJFWSA-N 216.328 2.895 30 20 BFED C[C@H](C#N)CN(C)C(=O)NCCC1=CCCCC1 42837433 WPOOIABIHAUZQK-GFCCVEGCSA-N 249.358 2.678 30 20 BFED CCN(CCC#N)Cc1cccc(F)c1 48298884 CCCSJSFZXONUKO-UHFFFAOYSA-N 206.264 2.561 30 20 BFED N#CCCCNCc1cccc(Cl)c1 49773028 IFRJHXVLEOOTQU-UHFFFAOYSA-N 208.692 2.733 30 20 BFED N#C[C@H]1CCC[C@H]1NC(=O)CCC1CCCC1 61888583 MPXGDBJEUJHNSU-CHWSQXEVSA-N 234.343 2.765 30 20 BFED COC(=O)[C@@]1(C)O[C@@]12CCCC(C)(C)CC2 85657787 RCBSMLRWAGUZNG-CHWSQXEVSA-N 226.316 2.677 30 20 BFED Cc1cncc(C(=O)Nc2ccccc2C#N)c1 88449079 APENFXNBMBSEEP-UHFFFAOYSA-N 237.262 2.514 30 20 BFED N#Cc1cccc(NC(=O)NOC2CCCC2)c1 89265116 OTIVLHYCFFFFSZ-UHFFFAOYSA-N 245.282 2.554 30 20 BFED CCCN(CC#N)C(=O)[C@@H](C)c1ccccc1F 108990445 ALJZKGOEGKAYPO-NSHDSACASA-N 248.301 2.691 30 20 BFED CCCN(CC#N)CCCCCn1cc(C)cn1 111205123 HXHIOTHDMVNATN-UHFFFAOYSA-N 248.374 2.597 30 20 BFED C=CCOC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 116471420 OYUQFFPNSUPIDF-IUCAKERBSA-N 238.233 2.798 30 20 BFED C=CC[C@H](C)NC(=O)Nc1ccc(CC#N)cc1 116998921 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30 20 BFED CC[C@@H](C)NN=C(C)c1sccc1OC 790183605 TYYBEONJKHHWTH-MRVPVSSYSA-N 226.345 2.869 30 20 BFED C[C@@H]1CCC(=NNc2nccn2C)C[C@H]1C 790307386 XOACGSHCLSFEKT-NXEZZACHSA-N 220.320 2.644 30 20 BFED C#C[C@@H](CCC)NC(=O)NCC1(C2CC2)CCC1 791033481 SKPLGFSOUGOLMP-ZDUSSCGKSA-N 248.370 2.668 30 20 BFED C#CCCN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 792911526 XUFXDLVMGRSBSZ-ZJUUUORDSA-N 232.154 2.525 30 20 BFED C[C@H](C#N)OC(=O)C[C@H](CC#N)c1ccccc1 795986782 RNUASWBJKXBSIR-YPMHNXCESA-N 242.278 2.529 30 20 BFED CC(C)C[C@H](C)COC(=O)C1(C#N)CCC1 798624639 ZXGLGHNIJZTDKG-NSHDSACASA-N 223.316 2.906 30 20 BFED C=C(Cl)COC(=O)c1cc(F)ccc1F 804397239 VWANPTKSYNUBJQ-UHFFFAOYSA-N 232.613 2.874 30 20 BFED C#Cc1ccccc1CC(=O)N1CCCC[C@H]1C 809949916 GVQUCRJTUYJHIT-CYBMUJFWSA-N 241.334 2.611 30 20 BFED C=CCCCCOC(=O)[C@@H]1O[C@H](C)C[C@@H]1C 811013510 XWWHOJGYPXGUQX-QJPTWQEYSA-N 226.316 2.699 30 20 BFED C#CCON=C1CCC[C@H](c2cccnc2)C1 812234155 RZVUTUXNLOYSLT-LBPRGKRZSA-N 228.295 2.745 30 20 BFED CC(C)OCCON=Cc1ccc(F)cc1F 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248.282 2.503 30 20 BFED C=C(CC)CNC(=O)c1cnc(C)nc1C(C)C 456814686 UUTGQJHPYAQBGU-UHFFFAOYSA-N 247.342 2.604 30 20 BFED C=CC1CCN(Cc2cnc(C3CC3)nc2)CC1 459351167 ORYVFXWOHSCQHC-UHFFFAOYSA-N 243.354 2.752 30 20 BFED C#CCN(Cc1nccs1)C1CCCCC1 490838765 DHWNSTRGFPUYAD-UHFFFAOYSA-N 234.368 2.911 30 20 BFED C[C@H](Nc1cccc(OCCCC#N)c1)[C@@H](C)O 515166145 BITATNXKYVUCHD-NWDGAFQWSA-N 248.326 2.550 30 20 BFED C=CCCO[C@@H](C)C(=O)N(C)[C@H](C)C(C)(C)C 520005556 HQCZLWVDJDTJBC-NWDGAFQWSA-N 241.375 2.861 30 20 BFED C[C@H]1CC(F)(F)CCN1C(=O)CC(C)(C)C#N 530010037 VXUYVIJOMBKFAE-VIFPVBQESA-N 244.285 2.572 30 20 BFED Cc1cc(C#N)c(=O)n(C[C@H]2CCC[C@@H](C)C2)c1 564960435 DTNAOCACLCQENN-YPMHNXCESA-N 244.338 2.855 30 20 BFED C=C[C@@](C)(O)CC(=O)N[C@H](CCC)CCCC 568454786 FFYXULQISGORJL-TZMCWYRMSA-N 241.375 2.789 30 20 BFED C=CCCCCCNC(=O)N[C@H]1C[C@@H]1C(F)F 573696028 IBMQRIOIERBTHF-UWVGGRQHSA-N 246.301 2.686 30 20 BFED C=CCCCCCNC(=O)N1CC[C@](C)(F)C1 582309824 QBXSGWNBLISXCW-ZDUSSCGKSA-N 242.338 2.876 30 20 BFED N#Cc1ccc(CN[C@H]2CCC[C@H]3C[C@H]32)cc1F 584034200 RPELGXVVLZHVJV-LNSITVRQSA-N 244.313 2.976 30 20 BFED Cc1coc(C)c1C(=O)N[C@@H](C#N)CC(C)C 585698641 UVJNNPFDEKAIRC-LLVKDONJSA-N 234.299 2.565 30 20 BFED C=CCN(C(=O)CCCCCC#N)C1CC1 588667447 ZXVKNMJEVDMMHP-UHFFFAOYSA-N 220.316 2.637 30 20 BFED N#Cc1ccncc1N1CC[C@H](C2CCC2)C1 591204175 IAWZEAMCSRFTAL-ZDUSSCGKSA-N 227.311 2.580 30 20 BFED CC(C)O[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 593054300 VCXHMGYRXDOKNM-MGPQQGTHSA-N 236.359 2.568 30 20 BFED CCCOc1c(C#N)cnc2ccc(OC)cc12 593441200 GAUCEYVDPHYOAS-UHFFFAOYSA-N 242.278 2.904 30 20 BFED CC[C@@H](CC#N)NCc1cccc2c1CCC2 593615649 QQOWYCQODBTRNQ-AWEZNQCLSA-N 228.339 2.957 30 20 BFED CC(C)(CCC#N)CN[C@H]1CCCn2nccc21 595046595 BBFXIZDUMOUKOK-LBPRGKRZSA-N 246.358 2.638 30 20 BFED CC[C@@H](CC(F)F)CN(CCC#N)CCC#N 595397399 VPXLDDPCSQXVCN-NSHDSACASA-N 243.301 2.797 30 20 BFED C=C(C)CN(C)Cc1ccc(F)cc1[N+](=O)[O-] 595424684 VQDCQFRTXYJZML-UHFFFAOYSA-N 238.262 2.742 30 20 BFED CCCC[C@H](C(=O)N(C)CCC#N)C(C)C 598619323 QLSNMIILUAXUIS-LBPRGKRZSA-N 224.348 2.821 30 20 BFED C[C@H](CC(=O)N[C@@H](C#N)C(C)(C)C)c1ccco1 599636419 OMHOVUGNLPPOTI-PWSUYJOCSA-N 248.326 2.828 30 20 BFED CC1(C#N)CCN(C(=O)C2CCC=CCC2)CC1 602139282 CTBYMGFIJGFWBT-UHFFFAOYSA-N 246.354 2.885 30 20 BFED Cc1cc(CNC[C@H](C)CCC#N)cc(C)n1 602698229 MKIGFIHQWGNXEY-LLVKDONJSA-N 231.343 2.728 30 20 BFED C[C@@H](CCC#N)CNCCc1ccc(C#N)cc1 602705354 KDIKLRYNKULMBV-ZDUSSCGKSA-N 241.338 2.630 30 20 BFED C[C@H](CC1(C#N)CCOCC1)NCC1=CCCC1 602718911 SYFIIPSLYKBQGG-CYBMUJFWSA-N 248.370 2.785 30 20 BFED CC[C@@H]1CCN(c2ccc(C#N)cc2COC)C1 603307252 ATEWUVDOIYPIFU-GFCCVEGCSA-N 244.338 2.941 30 20 BFED C=CCN(C(=O)CCC(C)(C)O)c1ccccc1 615001696 HSPIOFWNXOCMPI-UHFFFAOYSA-N 247.338 2.757 30 20 BFED C=CCCNC(=O)[C@]1(C)CCc2ccccc2C1 617616446 XJQRVZGMSNPOLR-MRXNPFEDSA-N 243.350 2.874 30 20 BFED C=CC[C@H]1CCCN(C(=O)CCn2cccc2)C1 617782959 PWYRCSZNZZSNIE-AWEZNQCLSA-N 246.354 2.693 30 20 BFED C=CCCC(C)(C)NC(=O)[C@@H](CC)OCC 620861757 YHPDMTVLHOLVOH-LLVKDONJSA-N 227.348 2.663 30 20 BFED C=CCN(C(=O)[C@H](C)OCC1CC1)C(C)(C)C 622943826 SMQAQVMSSBAESC-NSHDSACASA-N 239.359 2.615 30 20 BFED C=CCCCCCn1cc(COCC)nn1 641047273 UBGRNANKWSUYQT-UHFFFAOYSA-N 223.320 2.561 30 20 BFED COCC#CCOc1ccccc1C(C)C 671144544 IWDWWLSPSYFMMU-UHFFFAOYSA-N 218.296 2.839 30 20 BFED C=CC[C@H](C)NC(=O)c1c(C)noc1C(F)F 673674537 WGASEQSZTCUKHH-LURJTMIESA-N 244.241 2.615 30 20 BFED C=C(C)[C@@H](CO)N1C[C@H](C)c2ccccc21 677048211 QBUZHGXMJKAXHV-SMDDNHRTSA-N 217.312 2.547 30 20 BFED C=C(C)CN(C)C(=O)N[C@H](C)c1cnccc1C 679383473 RGTIIWFRRGGGRU-GFCCVEGCSA-N 247.342 2.669 30 20 BFED C#CCCCCNC(=O)OC1CCCCC1 704256124 AMZZCVFUHOWLNK-UHFFFAOYSA-N 223.316 2.849 30 20 BFED C=CCCCNCc1ccc(Cl)cn1 707361467 WXIUZYFYCOFMFN-UHFFFAOYSA-N 210.708 2.791 30 20 BFED CON=Cc1ccc(OCC(C)C)cc1 730145019 OBSMNJFQWLSJEZ-UHFFFAOYSA-N 207.273 2.702 30 20 BFED CCOCC(C)=NNc1c(F)cccc1F 735615514 RXDFNDIRJDKDGS-UHFFFAOYSA-N 228.242 2.789 30 20 BFED CC(=NNCC(F)F)c1cccc(Cl)c1 740618358 OSIAAACVKKPRSC-UHFFFAOYSA-N 232.661 2.919 30 20 BFED Oc1cccc(/C=N\CC(C2CC2)C2CC2)c1O 743044655 NVCMLVCBMNMPSD-PXNMLYILSA-N 245.322 2.953 30 20 BFED CCCNN=C1CCCc2cc(C#N)ccc21 743438356 SHSAEMWOQIMLJE-UHFFFAOYSA-N 227.311 2.598 30 20 BFED CC#CCOC(=O)[C@@H]1CCCc2ccccc21 744660595 UVIIHEVTWLFLQU-CQSZACIVSA-N 228.291 2.673 30 20 BFED Cc1ccc([C@H](C)C(=O)OCCCC#N)o1 745662351 FZACYARDMHWZKQ-JTQLQIEISA-N 221.256 2.539 30 20 BFED CCCCO[C@H]1CC(=NNCCC)C1(C)C 747632686 GVWWKQHDHCJQDJ-LBPRGKRZSA-N 226.364 2.957 30 20 BFED C=CCN(C(=O)Nc1cc(C)ns1)C(C)C 749229570 JQYSMYKVMBWNSU-UHFFFAOYSA-N 239.344 2.880 30 20 BFED CCCCCCCCNC(=O)c1ccc(C#N)[nH]1 754841172 GNLNKVZFMZLITK-UHFFFAOYSA-N 247.342 2.977 30 20 BFED Fc1ccc(NN=CC2CCOCC2)c(F)c1 755464988 ULTLGQFDVWGFLI-UHFFFAOYSA-N 240.253 2.789 30 20 BFED FC(F)CNN=C[C@H]1C[C@H]1c1ccccc1 755738509 JCYQQXZKGMSMCH-MNOVXSKESA-N 224.254 2.631 30 20 BFED CC[C@H](C)COC(=O)Cc1ccc(C#N)cc1 756394454 CIILHLOHUXLQOH-NSHDSACASA-N 231.295 2.690 30 20 BFED CCOc1ccccc1C=NOCC(F)F 758912298 VIZIFDLLRKPASS-UHFFFAOYSA-N 229.226 2.701 30 20 BFED CC(C)(C)C(=O)OCc1ccc(F)c(C#N)c1 758932617 LULVJQWWJZALIA-UHFFFAOYSA-N 235.258 2.787 30 20 BFED C=C(C)CCOC(=O)c1csnc1C 761109377 LNZGVBZUBFTKRN-UHFFFAOYSA-N 211.286 2.575 30 20 BFED CC#CCCON=Cc1cccc(F)c1 764934476 FWLCEDTZTRBBTK-UHFFFAOYSA-N 205.232 2.590 30 20 BFED C#C[C@H](OC(=O)c1cc2ccsc2[nH]1)C1CC1 767518886 RFDGBDFRXKHSRY-NSHDSACASA-N 245.303 2.798 30 20 BFED CC(C)C[C@H](C#N)NC(=O)[C@H](F)c1ccccc1 769443946 JQRWNFIPGISRDG-CHWSQXEVSA-N 248.301 2.752 30 20 BFED C#CCOc1ccccc1CN1CC[C@@H](CC)C1 770302868 CUYRXTJDLOSOOS-CQSZACIVSA-N 243.350 2.931 30 20 BFED C#CCCCN1CC[C@]2(C1)OCc1ccccc12 770673149 GQALXRSEFSSNCR-MRXNPFEDSA-N 241.334 2.531 30 20 BFED C=Cn1cc(C=NNc2ccc(F)cc2C)cn1 773069021 RRJZUDARIWQCIJ-UHFFFAOYSA-N 244.273 2.877 30 20 BFED Cc1cc(C)cc(C(=O)/C=C\c2ccn(C)n2)c1 773154573 UQXQARXITKKAHT-PLNGDYQASA-N 240.306 2.933 30 20 BFED C=CCN(C(=O)CC[C@@H](C)SC)C(C)C 773328940 NLIARAJHTQYSOI-LLVKDONJSA-N 229.389 2.941 30 20 BFED C#CCN1CCn2c(cc3c(Cl)cccc32)C1 773921792 IYBDLPMFDWEIQZ-UHFFFAOYSA-N 244.725 2.744 30 20 BFED C=C(C)CCOC(=O)c1cc(C)sn1 774118648 XYNLMSQZVOIAGV-UHFFFAOYSA-N 211.286 2.575 30 20 BFED CCOc1cccc(C=NOC2CCOCC2)c1 774444009 JIYCDPHZGUSUCP-UHFFFAOYSA-N 249.310 2.615 30 20 BFED C#C[C@H](NCCCC1CCCC1)[C@H]1CCCO1 775798064 GFNCXZVCMVQQIQ-LSDHHAIUSA-N 235.371 2.727 30 20 BFED CC[C@@H](C#N)OC(=O)c1c(F)cccc1Cl 781133063 VGPVVGAQNDSUEI-ZETCQYMHSA-N 241.649 2.938 30 20 BFED C#CCC(C)(C)C(=O)NCC1CC(C)(C)C1 781845124 JFSRRMDCKQBTMS-UHFFFAOYSA-N 221.344 2.588 30 20 BFED C[C@H]1CC(=NN[C@H]2CCCC2(C)C)CN1C1CC1 782288223 PILLFLUYOSMPBJ-FZMZJTMJSA-N 249.402 2.767 30 20 BFED CC(=NNc1ccc2[nH]ncc2c1)[C@@H]1CCCO1 783867347 OKGOZHKDOFNYFZ-ZDUSSCGKSA-N 244.298 2.530 30 20 BFED C=C[C@@](C)(CC)C(=O)OCc1cscn1 785752782 GUSXSCXUEUNLFZ-NSHDSACASA-N 225.313 2.789 30 20 BFED C#C[C@@H](C)Nc1nccc(Oc2ccccc2)n1 788545047 PFNGUMCHUUKCQX-LLVKDONJSA-N 239.278 2.703 30 20 BFED C#CCSc1nnc(CCc2ccccc2)o1 789921575 MFXFNCGLLNYULM-UHFFFAOYSA-N 244.319 2.580 30 20 BFED C#CCCCN(CC(=C)C)Cc1ccc(CO)o1 796382547 BQZUNSMKXGXFDO-UHFFFAOYSA-N 247.338 2.563 30 20 BFED C=CCOCCOC(=O)C[C@@H]1CC[C@@H](C)C1 797312228 SVKUSRJIHWKDLT-VXGBXAGGSA-N 226.316 2.559 30 20 BFED C#C[C@H](NC(=O)N[C@@H](C)CCCCC)C(C)C 798510805 YMUUDEXVNXRNPG-STQMWFEESA-N 238.375 2.912 30 20 BFED C[C@H](COc1ccccc1)N[C@H]1CC[C@H](C#N)C1 799716357 QNWZVIITPSEGGB-RDBSUJKOSA-N 244.338 2.736 30 20 BFED CCC[C@H](C(=O)OCCO[C@H](C)C#N)C(C)C 801851661 MPGLQUAMSZJOOQ-NEPJUHHUSA-N 241.331 2.531 30 20 BFED CC(C)(CC#N)COC(=O)/C=C/c1ccc[nH]1 802150451 WNTCKISDSKJNMS-AATRIKPKSA-N 232.283 2.511 30 20 BFED N#Cc1ccncc1C(=O)OCC1CCCCC1 805714706 DUYSKHNXOFRAFK-UHFFFAOYSA-N 244.294 2.690 30 20 BFED C=CCCCCOC(=O)[C@@H]1CCO[C@@H](C)C1 811010938 IHEGARFCJRHWDJ-NWDGAFQWSA-N 226.316 2.701 30 20 BFED Cn1c(C=NOC/C=C/Cl)nc2ccccc21 811669779 JBDRLKBYEALTDY-AKROGEHCSA-N 249.701 2.676 30 20 BFED CCc1ccccc1NN=C(C)Cn1cccn1 814801772 LTMJOZMQXBALML-UHFFFAOYSA-N 242.326 2.934 30 20 BFED C#CCCCOc1cccnc1N1CCCCC1 820596237 SETUPILPINJYKC-UHFFFAOYSA-N 244.338 2.864 30 20 BFED CC#CCCCCOC(=O)C[C@H](C)n1cccn1 820638448 GILWTQYFJFTDTN-ZDUSSCGKSA-N 248.326 2.571 30 20 BFED C#C[C@@H](CCC)NC(=O)N1CCCC[C@H](C)C1 820654514 NMRKWSUHKUXGOY-STQMWFEESA-N 236.359 2.620 30 20 BFED C=C(C)CN[C@H](c1ccccc1)[C@H](C)C(=O)O 825642589 YEEMEVHBJNLCAB-AAEUAGOBSA-N 233.311 2.614 30 20 BFED C#CC1CCN(C(=O)NCC2=CCCCC2)CC1 826885345 WSPWWPOUMCALKO-UHFFFAOYSA-N 246.354 2.542 30 20 BFED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccccc1O 834893268 NVAHZBWIHLEOMX-KYOSRNDESA-N 247.338 2.776 30 20 BFED COc1ccc(C=NOC(C)C)cc1C 835004162 IENOPGSSMRDQRM-UHFFFAOYSA-N 207.273 2.763 30 20 BFED CC[C@H]1CCC[C@@H]1C(=O)OCC(C)(C)C#N 835284730 MUXJWOLVJYFRLQ-QWRGUYRKSA-N 223.316 2.906 30 20 BFED C=CC(C)(C)COC(=O)c1cnccc1C 835724457 KPUFGAMZZXMLGN-UHFFFAOYSA-N 219.284 2.759 30 20 BFED C#CCCCCCC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 838256360 RJDIZRQHABCKRJ-HZSPNIEDSA-N 233.355 2.875 30 20 BFED C#CCC[C@@H](C)OC(=O)[C@@H](C)C(C)(F)F 839040299 MFDCMWXRINNJKF-RKDXNWHRSA-N 218.243 2.623 30 20 BFED C#CCC[C@H](C)OC(=O)[C@H]1CCO[C@@H](CC)C1 839042415 LCJJTLUHTLZVJD-AVGNSLFASA-N 238.327 2.537 30 20 BFED Cc1occc1C=NNc1nccnc1C(C)C 841635237 HPPCWPXMZFIULL-UHFFFAOYSA-N 244.298 2.947 30 20 BFED Cn1ccnc1NN=Cc1ccc(C2CC2)cc1 841637298 UHHQPPUMFMGPGS-UHFFFAOYSA-N 240.310 2.744 30 20 BFED CCOc1ccc(NN=C2CO[C@H](C)C2)cc1 842533106 IQBBDKLMJKNUMA-SNVBAGLBSA-N 234.299 2.662 30 20 BFED C[C@H](CO)N(C)N=C1CCCCC12CCCC2 842538709 NZKZVMPNWFWKSP-GFCCVEGCSA-N 238.375 2.789 30 20 BFED C#CC1CCN(Cc2cccc(OCC)c2)CC1 843429132 WBWBFNLRMZPWHX-UHFFFAOYSA-N 243.350 2.931 30 20 BFED C=C[C@@H](C)ONC(=O)Nc1ccccc1C 844479230 JEFQFMJYZQVYNB-SNVBAGLBSA-N 220.272 2.623 30 20 BFED C=C(C)CON=C1CCC(C(=O)OCC)CC1 844617265 LVEDERPRDPEEMP-UHFFFAOYSA-N 239.315 2.688 30 20 BFED CC#CCNc1cc(Cl)c(OC)c(OC)c1 844618807 IWBDBLPVAUYPOR-UHFFFAOYSA-N 239.702 2.792 30 20 BFED C#Cc1cccc(N(CC)C(=O)[C@H](C#N)CC)c1 845433882 ZODWGOCNAJKDGB-ZDUSSCGKSA-N 240.306 2.571 30 20 BFED C=C[C@@H](C)ONC(=O)N[C@H](CC)c1ccccc1 845620987 XOQPHJWOPUHADB-DGCLKSJQSA-N 248.326 2.943 30 20 BFED C#C[C@H](NC(=O)C1[C@@H]2CCCCCC[C@@H]12)C(C)C 847113905 GHMYTLRBCRJIGO-MCIONIFRSA-N 247.382 2.977 30 20 BFED C#CCCOC(=O)c1cc(Cl)nc(C2CC2)c1 847629576 HRYKUCFPOMDHPC-UHFFFAOYSA-N 249.697 2.793 30 20 BFED CCON=Cc1cccc(F)c1OC(F)F 853286913 XJOUONSAABZRBA-UHFFFAOYSA-N 233.189 2.798 30 20 BFED CO[C@@H](C=NNC1CCCC1)C1CCCC1 853301864 SHYZDGVPGHXMAP-ZDUSSCGKSA-N 224.348 2.710 30 20 BFED CO[C@@H](C=NNCCCc1ccccc1)C1CC1 853303118 NQEYYCAMIRXNJD-HNNXBMFYSA-N 246.354 2.620 30 20 BFED CCCCCCCNC(=O)NCC(C)(C)OC 858110618 FHAXPDCBMQGKCB-UHFFFAOYSA-N 244.379 2.681 30 20 BFED C#CCCOC(=O)Oc1cc(C)ccc1C 858875560 FZHQUSHKVCFNHD-UHFFFAOYSA-N 218.252 2.842 30 20 BFED C#C[C@H](C)N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 877513883 FSKSNTZDXQBGKB-XQQFMLRXSA-N 235.371 2.724 30 20 BFED C#CCn1ccc(CN(CC)CCCC2CC2)n1 878528766 XGSJPVGIWNDAJS-UHFFFAOYSA-N 245.370 2.528 30 20 BFED C=CC(C)(C)CC(=O)NC[C@@H]1C[C@H](C)O[C@H]1C 880285226 IJTCRGXVWYBGKB-SRVKXCTJSA-N 239.359 2.518 30 20 BFED C=C1CCC(C(=O)N(C)C2(C#N)CCC2)CC1 889836954 CSIHCRATMNLRFY-UHFFFAOYSA-N 232.327 2.637 30 20 BFED CC[C@@H](C)C(=O)Nc1cc(C#N)ccc1F 891447967 DOJOBPQZRPYGGT-MRVPVSSYSA-N 220.247 2.682 30 20 BFED Cc1cc(C#N)nc(NC2C[C@H](C)O[C@@H](C)C2)c1 893069114 BGWARWPWXIYQAM-QWRGUYRKSA-N 245.326 2.630 30 20 BFED CC1(C)CC[C@H]1Nc1ccc(C#N)cc1CO 893859996 OZWPRKQIJCNSFR-CYBMUJFWSA-N 230.311 2.651 30 20 BFED CCCCCCCc1nc(-c2ccnn2C)no1 896861909 JQFFGLQXWVSUPR-UHFFFAOYSA-N 248.330 2.983 30 20 BFED N#Cc1ccnc(CSCC[C@H]2CCCO2)c1 901784273 UUKFWZSDGWFVIY-CYBMUJFWSA-N 248.351 2.756 30 20 BFED C=CC[S@@](=O)CCCC1CCCC1 905223945 LUDVLGYKFHXAIK-CYBMUJFWSA-N 200.347 2.892 30 20 BFED N#Cc1cc(N2CC(C3CCCCC3)C2)ccn1 912172572 WEAAAOPHTMFNOD-UHFFFAOYSA-N 241.338 2.970 30 20 BFED C(/C=C\c1ccccc1)=NNc1cnccn1 912958845 JTZZQMXDZXLXSS-JVXWVONSSA-N 224.267 2.588 30 20 BFED CCCNC(=S)NN=C/C=C/c1ccccc1 916357411 OZYDMRYFVZEIOU-LSRQXAJVSA-N 247.367 2.560 30 20 BFED CC(=O)Nc1cccc(C(C)=NNCC(C)C)c1 916365619 DGXBCXACBGVLEJ-UHFFFAOYSA-N 247.342 2.615 30 20 BFED C#CCN(C(=O)N[C@@H](C)C[C@H](C)CC)C(C)C 920649828 PNOBVYQCEHYZFU-OLZOCXBDSA-N 238.375 2.864 30 20 BFED C=CCCCNC(=O)N1[C@@H](C)CCC1(C)C 922251013 VZOSSHKUGZAEMD-NSHDSACASA-N 224.348 2.925 30 20 BFED C=C(C)CCOC(=O)[C@@H]1CCO[C@@H](C(C)C)C1 924309963 PCKXZRMCPUAJPL-CHWSQXEVSA-N 240.343 2.947 30 20 BFED C=CCCCCC[C@@H](C)NC[C@@H]1CNC[C@H]1C 925786855 WCXNAHNQTBMZJY-KFWWJZLASA-N 238.419 2.957 30 20 BFED C=C1CN(C(=O)Nc2cc(C)cc(F)c2)C1 930455534 LJIWYMHLBWHHNV-UHFFFAOYSA-N 220.247 2.538 30 20 BFED CCC[C@@H](C#N)NC(=O)[C@@H](C)c1ccccc1C 931328623 DYXMANQQAPZIMT-STQMWFEESA-N 244.338 2.907 30 20 BFED C=C[C@@H](CC)CC(=O)NCc1ccccc1O 934934844 BWGLUYKUNPCOLK-NSHDSACASA-N 233.311 2.611 30 20 BFED C=C[C@H](CC)CC(=O)NCc1cncc(C)c1 935126869 KGFCXNOPLREVLC-GFCCVEGCSA-N 232.327 2.609 30 20 BFED CC[C@@H](C)c1nnc(-c2ccc(C#N)c(C)n2)o1 1117212273 NUWIUJYHZPXUMP-MRVPVSSYSA-N 242.282 2.825 30 20 BFED C=C(CC)C(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 1123500831 GHHRPGTXVDFHAJ-ZYHUDNBSSA-N 233.311 2.985 30 20 BFED CC1CC(CN2CCC(CC#N)CC2)C1 1332847703 HXJATMMCMLGYSI-UHFFFAOYSA-N 206.333 2.658 30 20 BFED CC(C)COC(=O)CC#Cc1ccccc1 1333024740 PZKSQHADXLQISO-UHFFFAOYSA-N 216.280 2.627 30 20 BFED C=CCCCCCn1cc(CCCOC)nn1 1333538735 VMJLEQOCDGUUOG-UHFFFAOYSA-N 237.347 2.604 30 20 BFED C=C[C@H](C)OC(=O)C1(C(C)(F)F)CC1 1343385925 OQDCBWZRESCCKJ-ZETCQYMHSA-N 204.216 2.540 30 20 BFED N#CCOc1ccccc1-c1nnc(C2CC2)o1 1345646580 BMFDTLWRMCWTGE-UHFFFAOYSA-N 241.250 2.516 30 20 BFED C#CC[C@H](C)OC(=O)Cc1cc(C)cc(C)c1 1347230714 IFVSCAOIFKFVGS-ZDUSSCGKSA-N 230.307 2.801 30 20 BFED C=CC[C@H](Sc1cccc(O)c1)C(=O)O 1588759167 QNMDPDAAULZFGX-JTQLQIEISA-N 224.281 2.514 30 20 BFED C[C@H](CC(=O)NC[C@@H](C)C#N)CC(C)(C)C 54157381 FVMCWIWTLRSBOE-MNOVXSKESA-N 224.348 2.725 30 20 BFED C=CCCC(=O)Nc1cccc(-c2ccn[nH]2)c1 54400642 PUONRWDHZHVUCK-UHFFFAOYSA-N 241.294 2.981 30 20 BFED C[C@@H](c1ccccc1F)N(C)C(=O)[C@H](C)C#N 62016504 UQPLMRPJGKZSTK-ZJUUUORDSA-N 234.274 2.505 30 20 BFED N#CC1(NC(=O)c2cccc(Cl)c2)CCC1 63477109 UIJSFEZCJRHDPH-UHFFFAOYSA-N 234.686 2.516 30 20 BFED CC(C)(C#N)NC(=O)c1ccc2c(c1)CCCC2 77025529 NNCIETMXJVTWOC-UHFFFAOYSA-N 242.322 2.597 30 20 BFED C=CCCC(=O)Nc1cccc(Cl)n1 81550091 FEYCXWBJWMNZIJ-UHFFFAOYSA-N 210.664 2.640 30 20 BFED C=CCC[C@@H](C)OC(=O)c1n[nH]c2c1CCCC2 89311779 DRANLQDDENFJFC-SNVBAGLBSA-N 248.326 2.800 30 20 BFED C[C@H]1CCN(Cc2cc(C#N)cs2)[C@@H]1C 91860380 OUCHEJBTZRLLID-VHSXEESVSA-N 220.341 2.850 30 20 BFED C[C@H]1C[C@@H](Nc2cccc(OCC#N)c2)CS1 94471989 OBPCWFIBZXZTAX-CMPLNLGQSA-N 248.351 2.895 30 20 BFED C=C[C@H](N)c1c(F)cccc1Br 95643727 GIRFHSXPJYEJAM-QMMMGPOBSA-N 230.080 2.774 30 20 BFED C=CC[C@H](C)NC(=O)CO[C@H]1CCCC[C@H]1C 116858798 DVQAOQIADBDANO-AGIUHOORSA-N 239.359 2.663 30 20 BFED C=CCCCOC(=O)c1cccc(F)c1 117992896 JFLLOLYOFPSWAW-UHFFFAOYSA-N 208.232 2.949 30 20 BFED C=CCNC(=O)N[C@@H]1CC(C)(C)c2ccccc21 119538887 KKDDNVMIKKWSBA-CYBMUJFWSA-N 244.338 2.894 30 20 BFED C#CCCCCC(=O)N(C)[C@H](C)c1ccco1 119574114 UVQXDCBMHYKLQN-GFCCVEGCSA-N 233.311 2.993 30 20 BFED C=CCN(C)CC(=O)Nc1cccc(C(C)C)c1 121222556 FHXHNZOSUDMIIO-UHFFFAOYSA-N 246.354 2.866 30 20 BFED C=C(Br)COc1ccc(C)cn1 123609962 UEEKCWBJMHUNDY-UHFFFAOYSA-N 228.089 2.677 30 20 BFED CCCCCCC[C@@H](C)N[C@@H](C)CC(N)=O 125728978 GZFGSVAMYQETEH-NEPJUHHUSA-N 228.380 2.589 30 20 BFED CC[C@H]1CCCN(C(=O)C2(C#N)CC(C)C2)CC1 125809695 VUSAWKWNNVQXKQ-OWYJLGKBSA-N 248.370 2.965 30 20 BFED C=C[C@H](C)NC(=O)N1CCC2(CCCC2)CC1 128083787 FPUKCKKRRCMLPD-LBPRGKRZSA-N 236.359 2.927 30 20 BFED C=C[C@H](C)NC(=O)N(C)Cc1ccccc1C 128115254 INNQTAHZOCBFHR-LBPRGKRZSA-N 232.327 2.711 30 20 BFED C=C[C@@H](C)NC(=O)C(C)(C)C1CCCC1 128220772 ZYKCERDHQKIRRO-SNVBAGLBSA-N 209.333 2.894 30 20 BFED C[C@H]1CCC[C@H](Nc2ccc(C#N)nc2)C1 131889681 ADCZQONMTZLINC-QWRGUYRKSA-N 215.300 2.944 30 20 BFED C=CCC[C@@H](C)NC[C@@H](O)c1ccsc1 134923681 HWOWFVRDQJRJNU-ZYHUDNBSSA-N 225.357 2.726 30 20 BFED C#C[C@H](C)NCc1ccc(F)c(Cl)c1 135169332 HWKBAOXEYVPMLL-QMMMGPOBSA-N 211.667 2.590 30 20 BFED CC[C@@H](O)CCNc1ccc(Cl)cc1C#N 135508607 YFJNJJOWNGORSJ-LLVKDONJSA-N 238.718 2.785 30 20 BFED CC(C)[C@@H]1CCCN1c1ccc(C#N)nc1 149380862 MYJBAHXSECGSSY-ZDUSSCGKSA-N 215.300 2.578 30 20 BFED C=C(Cl)CN(CC(=O)OC(C)(C)C)C(C)C 153989568 UMJOUYDIXLSEAY-UHFFFAOYSA-N 247.766 2.791 30 20 BFED C#CCCCCNC(=O)CCc1cccc(C)c1 155840966 CQYFPPAGCVGNEJ-UHFFFAOYSA-N 243.350 2.847 30 20 BFED C=C[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 157278697 UMXXTFDZALFXJY-UWVGGRQHSA-N 220.272 2.820 30 20 BFED N#CCCN(Cc1ccccn1)CC1CCCC1 172421436 VOLRDWXFXVNEAG-UHFFFAOYSA-N 243.354 2.987 30 20 BFED C#CCCCNC(=O)NC[C@H](CC)CCCC 174083841 IGVDRHCMDSAOOT-CYBMUJFWSA-N 238.375 2.915 30 20 BFED C=CCN(CC=C)C(=O)CC[C@H]1CC[C@H](C)O1 174618080 TYQHNJSZAGPGCB-QWHCGFSZSA-N 237.343 2.535 30 20 BFED N#Cc1csc(C(=O)N2CCC3(CCC3)C2)c1 177423737 CUBJYFYNNQOHGQ-UHFFFAOYSA-N 246.335 2.636 30 20 BFED C=CCCC[C@@H](C)NC(=O)[C@@H](C)CCCOC 180039467 VWAIIQLFIKQERA-QWHCGFSZSA-N 241.375 2.910 30 20 BFED C=C(C)CN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 180438991 NBBQTCBIAQIJAI-UHFFFAOYSA-N 248.282 2.551 30 20 BFED C=C(C)CN(C)[C@@H](C)C(=O)Nc1ccccc1C 181325648 NGSXTJRSTQEUPT-ZDUSSCGKSA-N 246.354 2.830 30 20 BFED CC[C@@H]1CCC[C@H](CNC[C@@H](C)C#N)C1 183814737 WIHKZQVEFBJWGM-XQQFMLRXSA-N 208.349 2.952 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@@H](CCO)C(C)(C)C 185198831 JJIHDJLIUHTZQA-AVGNSLFASA-N 227.392 2.974 30 20 BFED CC#CCCCC(=O)O[C@@H](C)c1cccnc1 185263779 ZXFCUNRYGJWGCY-LBPRGKRZSA-N 231.295 2.879 30 20 BFED C[C@@H]1CC[C@@H](CN(CCC#N)CC(C)(C)C)O1 188591657 KLOZAIPNPHDTAY-OLZOCXBDSA-N 238.375 2.816 30 20 BFED C=CCN(CC=C)C(=O)C1(OC)CCCCC1 193122113 MHXXNRKLDCGQPT-UHFFFAOYSA-N 237.343 2.536 30 20 BFED C=CCN(CCOC)Cc1ccc(F)c(F)c1 195000263 MDSMVXULSJIWPO-UHFFFAOYSA-N 241.281 2.599 30 20 BFED Cc1nccnc1N[C@H](C)c1ccc(C#N)cc1 214401058 MXTJCUARLRIRSE-SNVBAGLBSA-N 238.294 2.830 30 20 BFED CCC(C#N)(CC)C(=O)NC[C@H]1CC[C@H](C)C1 230425217 MNCVUNHRUBPMFC-RYUDHWBXSA-N 236.359 2.869 30 20 BFED CC[C@@H](CC#N)NCc1cccc2cc[nH]c12 231036795 GBMGTSPLBCRWLC-ZDUSSCGKSA-N 227.311 2.950 30 20 BFED C[C@@H]1C[C@@H]1C(=O)N[C@H](CCC#N)c1ccccc1 246444983 DNTTZDKTBRHXFQ-KWCYVHTRSA-N 242.322 2.804 30 20 BFED COc1ccc(O)c(/C=N\C2CCCC2)c1 255548992 DMFXLEGFYSIMHO-ZROIWOOFSA-N 219.284 2.762 30 20 BFED C[C@@H](CC#N)Nc1nc2cccc(F)c2o1 260246919 LCQUPYRXWVOUNC-ZETCQYMHSA-N 219.219 2.681 30 20 BFED C=CCCS[C@H](C)C(=O)N(CC=C)CC=C 265742523 FMMHZCDUJXUDHX-GFCCVEGCSA-N 239.384 2.885 30 20 BFED C=CCCCN(C)CCc1nccs1 269883974 PFQVMMDSAHQNFU-UHFFFAOYSA-N 210.346 2.584 30 20 BFED C[C@@H](CC#N)N[C@@H](C)c1ccccc1[N+](=O)[O-] 271592745 GCSHZWWOFPEEGC-UWVGGRQHSA-N 233.271 2.548 30 20 BFED C=CCCN(C)C(=O)c1cccc(F)c1F 276471049 XLRRKJFELUBZBT-UHFFFAOYSA-N 225.238 2.613 30 20 BFED CCCCC(=O)Oc1ccc(C#N)c(C)c1 277952454 OZQRYICGMQQOBQ-UHFFFAOYSA-N 217.268 2.962 30 20 BFED CSC[C@@H](C)C(=O)Oc1ccc(C#N)c(C)c1 277994940 RNHIFCDKUAHLSU-SNVBAGLBSA-N 249.335 2.771 30 20 BFED Cc1n[nH]c(NC(=O)C[C@@H](C)CC(C)C)c1C#N 287980786 KHSWCZDJXMSZMB-VIFPVBQESA-N 248.330 2.601 30 20 BFED C=C[C@@H](CO)N[C@@H](CCC)c1ccsc1 289652704 GJELXZCSKUOFQU-RYUDHWBXSA-N 225.357 2.726 30 20 BFED CC1CCC(=CC(=O)N[C@]2(C#N)CC2(C)C)CC1 291503900 VMPFBHDBLJZNNL-MHTVFEQDSA-N 246.354 2.931 30 20 BFED CN(CCc1cccs1)[C@@H]1CC[C@@H](C#N)C1 292914257 XIUDVVITSIDZAD-VXGBXAGGSA-N 234.368 2.915 30 20 BFED CC(F)(F)CCNCc1cccc(C#N)c1 294124787 DZXJRSLMSZFSPK-UHFFFAOYSA-N 224.254 2.693 30 20 BFED CC#CCN(C)C(=O)CC(C)(C)c1ccccc1 294382225 CLKNHPSRYWZRBY-UHFFFAOYSA-N 243.350 2.836 30 20 BFED C=CCC(CC=C)C(=O)NCCC(C)(F)F 295603421 PHWXLOKEWPJSPM-UHFFFAOYSA-N 231.286 2.916 30 20 BFED C=CCCc1noc(-c2cccc(C)n2)n1 297422807 UURWAWIEZCLEOY-UHFFFAOYSA-N 215.256 2.559 30 20 BFED C=CCCCCNC(=O)NC1(CC)CC1 298320464 NZSMVDFYAVDJAF-UHFFFAOYSA-N 210.321 2.585 30 20 BFED N#CCCNC1(c2ccccc2)CCC1 298727344 VBOQPEDSMIYNLF-UHFFFAOYSA-N 200.285 2.569 30 20 BFED C[C@H](NCCC#N)c1cccc(N2CCCC2)c1 299011853 QSYOXYVJTILONA-ZDUSSCGKSA-N 243.354 2.851 30 20 BFED Cc1cc(N2C[C@H]3CCC[C@@H](C3)C2)cc(C#N)n1 308281490 VRSLXSCSUYAHCT-STQMWFEESA-N 241.338 2.888 30 20 BFED CCN(CCCCCF)C[C@@H](C)C#N 308487368 PJPPCXAEZTYVCJ-NSHDSACASA-N 200.301 2.608 30 20 BFED C#C[C@H](CC)Nc1nc2cc(C)ccc2o1 309461113 NXNGSEWOZAUQHE-SNVBAGLBSA-N 214.268 2.960 30 20 BFED C=CC[C@H](CO)CNCC1CCCCCC1 309612620 ZZSUYJLWHPEHKS-AWEZNQCLSA-N 225.376 2.731 30 20 BFED C=CCCCCNC(=O)c1ccc(F)cc1O 310072261 AEPUQLGQVZLFIP-UHFFFAOYSA-N 237.274 2.617 30 20 BFED Cc1cccc(C(=O)NCC(C)(C)CC#N)c1 315580030 LBGZDWXNLDZUNB-UHFFFAOYSA-N 230.311 2.665 30 20 BFED CC[C@](C)(C#N)C(=O)N[C@H](C1CCC1)C1CC1 325346984 LUSSVHUJXQIZPY-TZMCWYRMSA-N 234.343 2.621 30 20 BFED CC(C)[C@H](C#N)NC(=O)C1CC(C(C)(C)C)C1 332070253 UKFOVBSFRGJMAG-MCIGGMRASA-N 236.359 2.723 30 20 BFED Cc1coc(C)c1C(=O)N(C)CC(C)(C)C#N 334356983 ORNVGJKKZURHEC-UHFFFAOYSA-N 234.299 2.518 30 20 BFED C[C@H]1C[C@@H]1CC(=O)Nc1ccc(C#N)cc1 334603674 KRILDMMBJNKXMN-GXSJLCMTSA-N 214.268 2.543 30 20 BFED CCC1CN(Cc2ccc(C#N)c(F)c2)C1 334983710 AHZOMCOIAFQJOP-UHFFFAOYSA-N 218.275 2.539 30 20 BFED CC(C)(C#N)C(=O)Nc1ccc2ccoc2c1 335273041 ZFLVXPFSCWOZOE-UHFFFAOYSA-N 228.251 2.921 30 20 BFED C=C(C)CN1CC[C@@H](n2ncc3ccccc32)C1 335276846 GCAHWTIZQDRBHJ-CQSZACIVSA-N 241.338 2.859 30 20 BFED Cc1cc2cc(C(=O)N[C@@H](C)C#N)oc2cc1C 335707040 HEOKNCWFQRCJLG-JTQLQIEISA-N 242.278 2.692 30 20 BFED CC1(C)CCC[C@@H]1CNC(=O)C1(C#N)CCC1 335986747 LLZCQYDBLFWETH-LLVKDONJSA-N 234.343 2.623 30 20 BFED Cc1coc(C)c1C(=O)[C@H](C#N)c1ccccn1 336332405 CBWBMJYYPIWRFU-LLVKDONJSA-N 240.262 2.782 30 20 BFED C=C[C@@H](C)NC(=O)[C@@H]1SCCc2ccccc21 336409511 ADNXIHPFOZROSI-ZWNOBZJWSA-N 247.363 2.708 30 20 BFED CSc1cccc(N(C)C(=O)[C@@H](C)C#N)c1 336476437 HKJGTMRMPBQWOF-VIFPVBQESA-N 234.324 2.531 30 20 BFED CC(C)(CCC#N)CN[C@H]1CC[C@@H](F)C1 336755986 JEMLCUBENZILKW-MNOVXSKESA-N 212.312 2.797 30 20 BFED C=C(C)CNCc1conc1Cc1ccccc1 339394953 JOPHBVCKHCAHRB-UHFFFAOYSA-N 242.322 2.931 30 20 BFED C=CCCN(C)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 342013816 QUUNMKRYEKPARG-RWMBFGLXSA-N 221.344 2.847 30 20 BFED CC[C@@H](NCCc1cccc(C#N)c1)C1CC1 343587245 DFXOQDCZPVVECJ-OAHLLOKOSA-N 228.339 2.879 30 20 BFED Cc1cnc([C@@H](NCC2(C#N)CC2)C2CC2)s1 347952515 FBRJFEPNRUGJBO-NSHDSACASA-N 247.367 2.796 30 20 BFED C=CCC[C@H](C)NCc1nccc(C(F)F)n1 348757670 WKFIKLMJXRRVRE-VIFPVBQESA-N 241.285 2.859 30 20 BFED C=C(C)CCN(CC(N)=O)[C@@H](C)c1ccccc1 351754542 GBGVHXJMJDQYNL-ZDUSSCGKSA-N 246.354 2.501 30 20 BFED C=CCC[C@@H](C)NCc1cnn2ccccc12 353862006 BOPJJDGNIAQQBS-GFCCVEGCSA-N 229.327 2.779 30 20 BFED N#CCCN(CC1CC1)C(=O)[C@H]1CC12CCCC2 354123901 DMPUEMRBIXHHFN-CYBMUJFWSA-N 246.354 2.719 30 20 BFED C=CCOCC(=O)N(C1CC1)[C@@H](C)c1ccco1 354701922 IUXBCFQINCJHOK-NSHDSACASA-N 249.310 2.534 30 20 BFED C=CCN(C(=O)[C@@H](C)[C@H](C)CC)C1CC1 356760458 BEMCPZBLSAILET-MNOVXSKESA-N 209.333 2.846 30 20 BFED C=CCN(C(=O)[C@@H]1C[C@@]1(C)CC)C1CC1 357514222 VQZAFGUADARZOG-WCQYABFASA-N 207.317 2.600 30 20 BFED C[C@@H](C(=O)NCC(C)(C)C)c1cccc(C#N)c1 360034825 BFGSFOUZUDTRHX-LLVKDONJSA-N 244.338 2.824 30 20 BFED CS[C@@H](CNC(=O)CCCC#N)C(C)(C)C 360712356 HPMHBOYOQHXPJL-JTQLQIEISA-N 242.388 2.574 30 20 BFED C[C@@H]1CCC[C@@H]1CC(=O)N[C@@]1(C#N)CC1(C)C 362181261 AEIBCMYTFLNDKN-JTNHKYCSSA-N 234.343 2.621 30 20 BFED C=CCCCNC(=O)N1CC(C)(C)[C@@H]1C1CC1 367905850 CCHUERFDOYWCLS-LBPRGKRZSA-N 236.359 2.783 30 20 BFED CC1(C)CN(C[C@H](C#N)CCC#N)[C@H]1C1CC1 377961163 BOAXOUBZQBWGPH-AAEUAGOBSA-N 231.343 2.550 30 20 BFED CCON=C1CC[C@@H]2CNc3cccc1c32 378677096 QLKHVIGQNQVJSU-SECBINFHSA-N 216.284 2.730 30 20 BFED CSC(C)(C)CC=NOCC(F)F 378861867 RVGACLPOQZHUAP-UHFFFAOYSA-N 211.277 2.786 30 20 BFED C#C[C@@H](CC)N[C@H](C)Cc1ccccc1C 381572210 XWDPLGOKPACBAU-HIFRSBDPSA-N 215.340 2.927 30 20 BFED C=CCNN=C(C)CCCCCCC(=O)O 382274482 CEEKZMIKIKCQBV-UHFFFAOYSA-N 226.320 2.563 30 20 BFED C=CCCC[C@H](C)NCc1ccc(C(=O)O)o1 398130358 VKELSWGOGRMYBE-JTQLQIEISA-N 237.299 2.812 30 20 BFED C=CCOCCOc1ccccc1CC=C 418799117 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20 BFED C=CCCOCC(=O)N[C@@H](CC)C1CCCC1 654221000 QJRLNIRYKHJCLM-ZDUSSCGKSA-N 239.359 2.664 30 20 BFED C=C(CC)CNC(=O)CCC(C)(F)F 654377057 FLKIFIWXBGCALH-UHFFFAOYSA-N 205.248 2.504 30 20 BFED C=CCC[C@@H](O)CN1C2CCCC1CCC2 675498053 ZTRHDPPSHSGVDP-JXQTWKCFSA-N 223.360 2.721 30 20 BFED C=CCN(C(=O)[C@@H](C)c1ccco1)C1CC1 678499360 BICMYDAYWDPLBR-JTQLQIEISA-N 219.284 2.560 30 20 BFED COCC#CCN1CC2(CCC2)c2ccccc21 683031998 IVRGILUDSJAEEY-UHFFFAOYSA-N 241.334 2.578 30 20 BFED CC(C)(CC#N)CNC(=O)/C=C/c1cccs1 701161737 XTZGCYXGSBCPRQ-AATRIKPKSA-N 248.351 2.817 30 20 BFED C#Cc1cccc(N(CC)C(=S)NCC=C)c1 728447963 XHYHXZYGNCFANZ-UHFFFAOYSA-N 244.363 2.555 30 20 BFED CCC/C(C)=C\C(=O)NCCCCC#N 728850590 XRFWTQMEHDFMFN-KHPPLWFESA-N 208.305 2.543 30 20 BFED C=CC[C@@H](C)NC(=O)NC[C@@H](C)C(C)(C)C 735101966 DSUYTVRKMCBXFV-GHMZBOCLSA-N 226.364 2.932 30 20 BFED CC(=NNCC(F)F)c1ccc(C)cc1C 740617412 IMPNIZUVROMHSU-UHFFFAOYSA-N 226.270 2.882 30 20 BFED C=CCOC(=O)C1CC(OCc2ccccc2)C1 747055980 VABFVTJWCJZEGK-UHFFFAOYSA-N 246.306 2.711 30 20 BFED C=CCOC(=O)c1ccc(Cl)c(C#N)c1 754899897 ITEJUGRYLJXGQS-UHFFFAOYSA-N 221.643 2.554 30 20 BFED CC(C)CON=Cc1cccc(F)c1O 755803211 ZWBITKFFISEYSE-UHFFFAOYSA-N 211.236 2.538 30 20 BFED C=C(C)[C@H](CC(=O)OCCCCC#N)OCC 756481918 TYMBMVMAKUUAKN-LBPRGKRZSA-N 239.315 2.595 30 20 BFED C=C[C@@H](C)NC(=O)/C=C/SCc1ccco1 757012106 FZYKFCFCOFYSIK-QEHWCHDUSA-N 237.324 2.717 30 20 BFED C#CCN1CCc2c1cccc2C(F)(F)F 759915562 RACCZANPULHDCQ-UHFFFAOYSA-N 225.213 2.701 30 20 BFED CC#CC(=O)Nc1ccc(N2CCCCC2)cc1 763900987 QHYLCCHUOQOSLZ-UHFFFAOYSA-N 242.322 2.639 30 20 BFED C#CCCOC(=O)c1c[nH]cc1-c1ccccc1 765444512 JQFRLEMLGNRIBF-UHFFFAOYSA-N 239.274 2.862 30 20 BFED C#CCC(C)(C)C(=O)OCc1cccc(F)c1 767664019 HFUJOOFCXGBBHV-UHFFFAOYSA-N 234.270 2.918 30 20 BFED Cc1cc(CN(C)[C@@H](C)CC#N)cnc1Cl 769335240 URQOOUNMKWBCHH-JTQLQIEISA-N 237.734 2.777 30 20 BFED C=CC[C@@H](C)C(C)=NNCC(F)(F)F 769820987 AUYSSRHBCCRXCZ-SSDOTTSWSA-N 208.227 2.726 30 20 BFED Cn1cccc1C=NN[C@@H]1CCCCC1(C)C 773124060 IPENJBBUMLEPAN-CYBMUJFWSA-N 233.359 2.917 30 20 BFED C#C[C@@H](C)NC(=O)NCC1CCC(C)(C)CC1 773605943 YKSPSHXHRUJSQN-LLVKDONJSA-N 236.359 2.524 30 20 BFED C#C[C@@H](NCc1cccc(Cl)c1)[C@H]1CCCO1 775344283 GKYUPDYSWHCYFM-ZIAGYGMSSA-N 249.741 2.610 30 20 BFED C[C@@H]1CC[C@@H](CC(=O)OCC2(C#N)CC2)C1 775865938 PABNCKBAZMFFHS-GHMZBOCLSA-N 221.300 2.660 30 20 BFED CC(C)[C@@H]1CC(=NNC2CCCC2)CCO1 776769317 XTKKUYBRGHZBJS-ZDUSSCGKSA-N 224.348 2.710 30 20 BFED C=C(CC)COC(=O)[C@H](c1ccccc1)N(C)C 780090690 CLVILYURMXBCQR-AWEZNQCLSA-N 247.338 2.799 30 20 BFED CC(C)c1ccc(C=NN[C@H]2CCCOC2)cc1 780261917 WKBUFRDRFKDNCN-HNNXBMFYSA-N 246.354 2.913 30 20 BFED C=C(CC)COC(=O)/C=C\c1ccc[nH]1 782331037 JIVPAUBEMYSPQP-SREVYHEPSA-N 205.257 2.537 30 20 BFED C=C(C)CNC(=S)N1CC[C@@H](C(C)(C)C)C1 783772239 IEUSLBOVUFLHGK-LLVKDONJSA-N 240.416 2.805 30 20 BFED C#CCN(CC)CC[C@@H](C)OCc1ccccc1 789326977 LMIXGIXYCXZTSQ-OAHLLOKOSA-N 245.366 2.937 30 20 BFED CC[C@@H](C)NN=C(C)c1ccccc1[N+](=O)[O-] 790190512 WATJDBLCSHUHJU-SECBINFHSA-N 235.287 2.707 30 20 BFED C#CCCCCCC(=O)OC[C@@H]1CCO[C@@H]1C 793447843 ZRJNYUQPQCUHKX-OLZOCXBDSA-N 238.327 2.538 30 20 BFED C#CCCCCCC(=O)N1CCC(F)(F)CC1 794290469 IZANFHVIPDCOEK-UHFFFAOYSA-N 243.297 2.828 30 20 BFED C=CCNN=C1CC(C)(C)Oc2cc(F)ccc21 795004128 UGEUFWJVAGNNGK-UHFFFAOYSA-N 248.301 2.867 30 20 BFED COCCCON=Cc1cccc2cccnc12 795055258 JEMJJSNFRMMJGY-UHFFFAOYSA-N 244.294 2.622 30 20 BFED N#Cc1ccc(C(=O)OCCc2ccccc2)o1 796143595 YPBVZJPMBLAIJI-UHFFFAOYSA-N 241.246 2.551 30 20 BFED N#CC[C@H](CC(=O)OCCF)c1ccccc1 796723938 RGAQDEDHGJCIGO-GFCCVEGCSA-N 235.258 2.587 30 20 BFED C[C@H]1CCC[C@@H](OC(=O)c2ccc(C#N)o2)C1 796773687 FUMOMNKOHRFQMX-VHSXEESVSA-N 233.267 2.887 30 20 BFED C[C@@H]1CC[C@H](C=NNc2nccnc2Cl)C1 800812531 HBKWTOMNAOSMIU-BDAKNGLRSA-N 238.722 2.964 30 20 BFED COc1cccc(/C=N\[C@@H](C)C(F)(F)F)c1O 806552327 RIXMYBOPLMFOKT-VQIYEXGWSA-N 247.216 2.771 30 20 BFED C[C@H]1Cc2ccccc2C1=NN[C@@H]1CCSC1 808002701 CIJSASAMKUIGEF-CMPLNLGQSA-N 246.379 2.678 30 20 BFED C[C@H]1/C(=C\c2cn(C)cn2)C(=O)c2ccccc21 809156586 MOLYRDSAYBLBSW-FBWGLTFQSA-N 238.290 2.804 30 20 BFED O=[N+]([O-])c1ccc(C=NOC/C=C/Cl)s1 811669287 NRGFTTRYYNXQOP-RKASFJSESA-N 246.675 2.759 30 20 BFED CC(C)OCCON=C1CCC12CCC2 812238771 FPNRNTGZLXOPRM-UHFFFAOYSA-N 211.305 2.748 30 20 BFED Fc1cc(NN=CCC(F)(F)F)ccn1 817326696 ULLJMIDUPZDCDK-UHFFFAOYSA-N 221.157 2.571 30 20 BFED C=C(C)C(C)(C)C(=O)[C@@H](C#N)c1ccccn1 819941630 QQZXYXAWQKLTBR-NSHDSACASA-N 228.295 2.860 30 20 BFED C=C(C)C(C)(C)C(=O)OCC(C)(C)OC 821282385 AYTUIHJRUQCHRV-UHFFFAOYSA-N 214.305 2.557 30 20 BFED CCCCCCCCCN(C)C(=O)[C@H](N)CC 827533104 CCSDZEOSCODJHS-CYBMUJFWSA-N 242.407 2.933 30 20 BFED N#CC1(CSC2=NCCS2)CCC1 828488781 OTMYECMFWBYGAK-UHFFFAOYSA-N 212.343 2.516 30 20 BFED C#Cc1cnc(NC[C@@H]2CCC[C@@H]2CC)nc1 828628974 GITFRSRYMCBELK-STQMWFEESA-N 229.327 2.696 30 20 BFED CC(C)ON=Cc1cn2cc(Cl)ccc2n1 835004016 FJXNZRRRVGOHKK-UHFFFAOYSA-N 237.690 2.747 30 20 BFED C=C(CC)COC(=O)CC1CC(F)(F)C1 835660427 FIYBMKQDXPQRML-UHFFFAOYSA-N 218.243 2.931 30 20 BFED C=CCCCCCOC(=O)/C=C/[C@@H]1CCOC1 838043128 IIZIDUMIJXZUDV-SBDDDAINSA-N 238.327 2.869 30 20 BFED C#CCC[C@@H](C)OC(=O)[C@H]1C[C@H]2CC[C@H]1C2 839034126 MSYHNRSHILNGHZ-VOAKCMCISA-N 220.312 2.768 30 20 BFED C#CCC[C@H](C)OC(=O)Cc1ccsc1C 839039893 SXPFTFYJYXOFKB-JTQLQIEISA-N 236.336 2.944 30 20 BFED C=C(Cl)CN1CCC[C@@H]1c1cccnc1 839527653 GCSHGHKBMLHYNQ-GFCCVEGCSA-N 222.719 2.971 30 20 BFED C#C[C@@H](OC(=O)/C=C\C1CCCC1)C1CC1 842747106 RIWBHOQPMBJNQP-PGJNLMOESA-N 218.296 2.688 30 20 BFED C#C[C@H](NC(=O)[C@@H]1CC[C@H](C)C1)c1ccccc1 843638519 CJWGZSNPTWKALQ-CFVMTHIKSA-N 241.334 2.913 30 20 BFED C=C[C@H](C)ON=C1CC(C)(C)OC1(C)C 844621922 PZQHPKHISVMMSW-VIFPVBQESA-N 211.305 2.911 30 20 BFED C=C[C@H](C)ON=Cc1cccn1CCC 844623498 HFLKCFLNYFZYOI-NSHDSACASA-N 206.289 2.823 30 20 BFED C=C(C)CONC(=O)N(C1CCCC1)C1CC1 845601569 BMXGQSQDPHJDMY-UHFFFAOYSA-N 238.331 2.611 30 20 BFED C=C[C@@H](C)ONC(=O)C(CCC)CCC 846546781 GBTVLZNFJYCQSP-SNVBAGLBSA-N 213.321 2.825 30 20 BFED C=C(C)COC(=O)c1cnccc1C(F)(F)F 847629150 UPYCYNQVFSALDQ-UHFFFAOYSA-N 245.200 2.833 30 20 BFED C=C[C@@H](C)ON=C1CCc2c1cccc2[N+](=O)[O-] 848413658 IJOUZVQVRYJZLP-SECBINFHSA-N 246.266 2.836 30 20 BFED C[C@@H](C#N)COC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 850901610 SNXFOTLKNYNLLP-WUHRBBMRSA-N 235.327 2.906 30 20 BFED CCCNN=C(C)c1ccc(C(F)F)nc1 853290154 VLUSCHSXBBUCOW-UHFFFAOYSA-N 227.258 2.743 30 20 BFED C=CC[C@H]1CCCCC1=NNc1nccn1C 853339986 ICMFGVQOOJRMGJ-NSHDSACASA-N 232.331 2.954 30 20 BFED CC(=NN1CCCC[C@H]1C)c1cncc(F)c1 853381101 WMFXUWWBLPQCRG-SNVBAGLBSA-N 235.306 2.819 30 20 BFED C#CCOCCON=Cc1ccc(C(C)C)cc1 853644245 HTVCZWIVJABWFY-UHFFFAOYSA-N 245.322 2.810 30 20 BFED C#CCCCSCc1cn(C(C)(C)C)nn1 853770069 BOJAYYOOIALQNC-UHFFFAOYSA-N 237.372 2.680 30 20 BFED C#CCCCCCC(=O)Nc1c(C)cnn1CC 855751372 SJVSCSWWIMIPAH-UHFFFAOYSA-N 247.342 2.734 30 20 BFED C=CCCONC(=O)c1cccc(OCCC)c1 856030321 CMOLDHNTVLLTHW-UHFFFAOYSA-N 249.310 2.713 30 20 BFED C/C(=C\C(=O)OC[C@@H](C)C#N)c1cccs1 857013179 IDWQMFOSIHGDJO-CMWXKVOJSA-N 235.308 2.854 30 20 BFED C#CCCOC(=O)N1c2ccccc2CC[C@@H]1C 858887984 BYPGKGKAJAYDEV-LBPRGKRZSA-N 243.306 2.988 30 20 BFED C=CCCC[C@H](C)OC(=O)c1cn(C2CC2)nn1 860030531 GMDVBBLQWDBCAA-JTQLQIEISA-N 249.314 2.515 30 20 BFED C=CCCCCCOC(=O)c1conc1C 860432498 DRXAKIBHWZRTPO-UHFFFAOYSA-N 223.272 2.886 30 20 BFED N#CCCCC(=O)OC1CCC(F)(F)CC1 860973750 AIWXKSXTFGZKBV-UHFFFAOYSA-N 231.242 2.801 30 20 BFED CCCCCCCNC(=O)[C@@H]1CCCCO1 862357662 BVIQOEDHFMHXCE-LBPRGKRZSA-N 227.348 2.642 30 20 BFED CCCC=NNC(=S)NC1CCCCC1 864094932 OVEURDVOSDMHDJ-UHFFFAOYSA-N 227.377 2.569 30 20 BFED C#Cc1ccc(C(=O)OC[C@H](C)C(C)(C)C)nc1 869386024 LPCIYLZCZQKWLB-NSHDSACASA-N 245.322 2.902 30 20 BFED N#Cc1cc(NC(=O)CCCF)c(F)cc1F 876348767 QCSSMLFUCSTFDG-UHFFFAOYSA-N 242.200 2.525 30 20 BFED C#CCCCCCCNCC1(CC#N)CC1 877495112 SSXRFWTTZNSBHZ-UHFFFAOYSA-N 218.344 2.854 30 20 BFED C=CCCC(=O)COC(=O)C1CCC(=C)CC1 885652483 YMEUETQPBYXSKQ-UHFFFAOYSA-N 236.311 2.811 30 20 BFED C=CC(C)(C)CC(=O)N[C@H](C#N)CC(C)C 889810222 GPPVFYIZNOQBFU-NSHDSACASA-N 222.332 2.643 30 20 BFED COc1ccc(CN2CCC(C#N)CC2)c(C)c1 891851716 BYIRXAIBOYFPIL-UHFFFAOYSA-N 244.338 2.739 30 20 BFED C=CCCN(C)Cc1cc(F)cc(F)c1O 894531659 CCSTXCJYLDGQSB-UHFFFAOYSA-N 227.254 2.678 30 20 BFED CCC[C@@H](O)CCNc1ccc(C#N)cc1C 896181692 FJHHOCNDCCEUDR-CYBMUJFWSA-N 232.327 2.830 30 20 BFED C#CCCCCCCN(CCC(=O)O)C(C)C 901980874 SFRKYROXEHJGQP-UHFFFAOYSA-N 239.359 2.755 30 20 BFED C#CCCCCN[C@@H](c1ccccn1)C1CC1 903124469 IGFACWPSOBLIIG-OAHLLOKOSA-N 228.339 2.926 30 20 BFED C[C@@H]1CCCC[C@@H]1CC(=O)N1CCC[C@H](C#N)C1 928226832 VNLAYFYFDXRVCR-MGPQQGTHSA-N 248.370 2.965 30 20 BFED N#CCCOCCNC1(C2CCCCC2)CC1 934790008 QILNKQDCTVQCHV-UHFFFAOYSA-N 236.359 2.619 30 20 BFED C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CSC 934916312 BXVSQGBRHQNVRW-NWDGAFQWSA-N 241.400 2.943 30 20 BFED C=C[C@H](COC)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 1116644696 SNJZNGJCBIMVFJ-PMXAPFLYSA-N 235.371 2.602 30 20 BFED 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129017066 IRJKLNVSMGFKCP-UHFFFAOYSA-N 243.310 2.870 30 20 BFED CN(CC1CCCCC1)c1cccnc1C#N 129910480 VZWIHBBENISWAX-UHFFFAOYSA-N 229.327 2.970 30 20 BFED C=C(CNCC1(O)CCCC1)c1ccccc1 134367250 UUUTXEYENRKXMV-UHFFFAOYSA-N 231.339 2.595 30 20 BFED N#Cc1ccc(CNCc2ccc(F)cc2)o1 135122064 KFRBWEHALQOZRP-UHFFFAOYSA-N 230.242 2.580 30 20 BFED Cn1ccnc1SCC#Cc1ccc(F)cc1 135244595 OZXLRUZKYDHREO-UHFFFAOYSA-N 246.310 2.703 30 20 BFED CC#CCNC(=O)N[C@@H](C)[C@H](C)c1ccccc1 135570418 VNTCCGLOQSJLDL-STQMWFEESA-N 244.338 2.501 30 20 BFED C=CCN(C)C(=O)N[C@H](C)CCc1ccccc1 153488391 PHUCIGBFYUIOLX-CYBMUJFWSA-N 246.354 2.835 30 20 BFED C=C(Cl)CSC1=N[C@H](C)CS1 155686188 ODUKFRMNTXZGJQ-ZCFIWIBFSA-N 207.751 2.963 30 20 BFED CCC(O)(CC)CN(C)c1ccc(C#N)cc1 167815048 SDAWZKXYTQECPM-UHFFFAOYSA-N 232.327 2.546 30 20 BFED CCCCCCCCC/N=C(\N)N(C)C 170908557 FYHYCJOIKGARIE-UHFFFAOYSA-N 213.369 2.613 30 20 BFED C=CCCN(C)Cc1ncc(CC)s1 175502986 DDWFEZAJJRKNGM-UHFFFAOYSA-N 210.346 2.713 30 20 BFED Cc1ccc(NC(=O)N(C)CCC#N)c(F)c1 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2.586 30 20 BFED C[C@H](O)CCCNc1ccc(Cl)cc1C#N 227998877 OSTBFLQLSGHAIF-VIFPVBQESA-N 238.718 2.785 30 20 BFED C#C[C@H](CC)NC(=O)c1cc(C)c(C)s1 234054610 USYBAGHTOMOOFI-SNVBAGLBSA-N 221.325 2.507 30 20 BFED C=C(Cl)CNC(=O)c1cc(O)ccc1Cl 236631587 HGPLMLOOBBVQBV-UHFFFAOYSA-N 246.093 2.528 30 20 BFED N#Cc1c(Cl)cccc1N1CC[C@H](F)C1 238548891 IVZUENSXJUKAQT-QMMMGPOBSA-N 224.666 2.760 30 20 BFED C[C@H](O)C[C@H](C)CN[C@H](C)c1ccc(C#N)cc1 245896163 NBKHJGPCAONQJG-RWMBFGLXSA-N 246.354 2.616 30 20 BFED C[C@@H](C#N)CN(C)C[C@H]1C[C@H]2CC[C@H]1C2 251124503 RYPXJMKIVSEMFP-ZDEQEGDKSA-N 206.333 2.514 30 20 BFED C/C=C/COC(=O)/C=C\c1ccccc1C#N 255166071 XIRDVINNVZTKPV-BVCYWKNDSA-N 227.263 2.691 30 20 BFED CCC(C)(C)C(=O)N(C)Cc1ccc(C#N)cc1 263748921 KKSFDFUCQGNWTM-UHFFFAOYSA-N 244.338 2.953 30 20 BFED CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)C(C)C 266649949 FIZSFCBNEAZTMY-WFASDCNBSA-N 246.354 2.880 30 20 BFED CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c[nH]1 267083041 KQVWLKYSAMYKPS-VXGBXAGGSA-N 245.326 2.585 30 20 BFED CC1(C(=O)Nc2cccc(C#N)c2)CCC1 267499339 YMSNWSCWHMKWTG-UHFFFAOYSA-N 214.268 2.687 30 20 BFED CC(C)c1cccc(N/C(N)=N/CC(F)F)c1 267596689 DUNJEIXGUNHLFI-UHFFFAOYSA-N 241.285 2.802 30 20 BFED CCN(CCC#N)c1ncnc2cccc(C)c12 268143527 VPZSHNOIJJMMRZ-UHFFFAOYSA-N 240.310 2.678 30 20 BFED C=CCN(C(=O)c1ccc(C)s1)C1CC1 271609533 ZRKHCORJFJOCNR-UHFFFAOYSA-N 221.325 2.847 30 20 BFED N#CCCCNCCSCc1ccccc1 272688398 PUBMFHIQCITTQP-UHFFFAOYSA-N 234.368 2.813 30 20 BFED C#CCN(C(=O)c1ccc(Cl)c(C)c1)C1CC1 274031066 KECXJXLVQQPREQ-UHFFFAOYSA-N 247.725 2.886 30 20 BFED C=C[C@](C)(O)CC(=O)Nc1ccc(Cl)cc1 279231323 PAABVFQOAXNPSA-LBPRGKRZSA-N 239.702 2.606 30 20 BFED C#C[C@H](NC(=O)[C@@H](C)c1cccc(F)c1)C(C)C 282068907 MVSREEWEVUVEAT-FZMZJTMJSA-N 247.313 2.703 30 20 BFED CC#CC(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 283778814 NGALUTASKFLSGM-CABCVRRESA-N 241.334 2.537 30 20 BFED C=C(C)CN1CCC=C(c2ccco2)C1 285153625 AAQJMWYPFQYSIV-UHFFFAOYSA-N 203.285 2.945 30 20 BFED C#CCN(CCCCC#N)Cc1ccccc1 285518265 DUPFSAVSWVAAKR-UHFFFAOYSA-N 226.323 2.816 30 20 BFED CC[C@H](C)CCC(=O)Nc1ccc(C#N)cn1 289312938 AQVWRGYAFXTXHK-JTQLQIEISA-N 231.299 2.718 30 20 BFED C=CCn1c(C2CC2)nnc1N(CC)C(C)C 289552127 FMEIDLKCSPIIND-UHFFFAOYSA-N 234.347 2.576 30 20 BFED C#Cc1ccc(CNC[C@@H](C)SC)cc1 290534642 YGOMLDANHWVLHY-LLVKDONJSA-N 219.353 2.509 30 20 BFED C[C@H]1CC=CC[C@H]1COC(=O)CCCC#N 291107363 KAJNUEAJXBMMEU-RYUDHWBXSA-N 221.300 2.826 30 20 BFED Cc1cccc(C(=O)N[C@]2(C#N)CC2(C)C)c1F 291463515 PJPVOLJOIPPZIF-AWEZNQCLSA-N 246.285 2.556 30 20 BFED C=CCN(CCC#N)CCSC(C)C 292116833 HPWSXOZVNWCGEN-UHFFFAOYSA-N 212.362 2.530 30 20 BFED C=CCN(C)c1nc(C)c(C#N)cc1Cl 292625282 NTABXSSSCUIXFA-UHFFFAOYSA-N 221.691 2.537 30 20 BFED C=CCC(C)(C)C(=O)Nc1cc(C)cnc1OC 297706827 MNBSLQOMRBUUNG-UHFFFAOYSA-N 248.326 2.939 30 20 BFED Cc1cnc(S[C@@H](C)CCC#N)nc1 298343320 OGFSDQHUJMMYFW-VIFPVBQESA-N 207.302 2.569 30 20 BFED C#CCNC(=O)N(CC)[C@@H](CC)c1ccccc1 299377207 GIFAFOBLINEQQF-AWEZNQCLSA-N 244.338 2.802 30 20 BFED C=CC[C@@H](C)N[C@@H]1CCCC12CCOCC2 300960619 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BFED C=C[C@H](C)ON=C1CC[C@@H](CC(=O)OC)[C@@H]1C 844625391 LWNMGTGKYPNTGF-DCAQKATOSA-N 239.315 2.543 30 20 BFED CC[C@H](C#N)C(=O)N1CCCC2(CCCC2)C1 845988944 CLLRSJHQBUTRDK-GFCCVEGCSA-N 234.343 2.719 30 20 BFED CCC(CC)CNN=C(C)c1cncnc1C 848409317 SWLVXZXSNNHWKL-UHFFFAOYSA-N 234.347 2.535 30 20 BFED C=CCCCCCCN=C(N(C)C)N(C)C 849027511 FTZHVYWDGZAPJM-UHFFFAOYSA-N 225.380 2.602 30 20 BFED C=CCCCCOC(=O)c1ccnn1C(F)F 849837391 JDAVDPHNXDQSQZ-UHFFFAOYSA-N 244.241 2.791 30 20 BFED C=CCCOC(=O)c1cc(COC)cs1 850074839 DZGJSPRDTGIHKQ-UHFFFAOYSA-N 226.297 2.627 30 20 BFED C=C[C@H](OC(=O)COC(F)F)c1ccccc1 851451948 NQPVWQBYSHHUHJ-JTQLQIEISA-N 242.221 2.696 30 20 BFED N#CC[C@H]1CCCN(CCCCCCCO)C1 852319402 LVTFJGMXTZARHE-CQSZACIVSA-N 238.375 2.555 30 20 BFED CC[C@H](O)CNN=Cc1cccc(C(C)C)c1 853346788 LYQQVJJZOALRFQ-AWEZNQCLSA-N 234.343 2.504 30 20 BFED C[C@H]1CCCCN1N=C1CCc2c(O)cccc21 853378895 AIMKHXYMRFXLNJ-NSHDSACASA-N 244.338 2.917 30 20 BFED CC(CCn1cccn1)=NN1CCCC[C@H]1C 853380932 YEIBRVRLCXEKKX-CYBMUJFWSA-N 234.347 2.524 30 20 BFED CC(=O)c1ccc(C#N)cc1N[C@@H]1C=CCC1 853799676 JFTXABOSMLSOOG-GFCCVEGCSA-N 226.279 2.891 30 20 BFED C=CCCONC(=O)[C@H](C)c1ccccc1F 856032006 GXJQXQRZZSDLJX-SNVBAGLBSA-N 237.274 2.553 30 20 BFED CSC(C)(C)C(=O)Oc1ccc(C#N)c(C)c1 857612389 QATIMPFXHQRXTQ-UHFFFAOYSA-N 249.335 2.914 30 20 BFED CCC(C#N)(CC)C(=O)O[C@@H]1C=CCCC1 860198433 ZWUSONKRMOEOML-LLVKDONJSA-N 221.300 2.968 30 20 BFED C#CC[C@H](OC(=O)c1cocc1C)C1CC1 860592496 PHVQYFKOONRLCE-LBPRGKRZSA-N 218.252 2.547 30 20 BFED C(=NNc1ccccn1)c1cc2c([nH]1)CCCC2 872331122 VGALFYQCVZVHOY-UHFFFAOYSA-N 240.310 2.735 30 20 BFED C=CCCCCNC(=O)N1CCC[C@@H](CF)C1 883577592 SIFVSTCDZLPHRU-LBPRGKRZSA-N 242.338 2.734 30 20 BFED C#CCCCCNC(=O)C1CCC(=C)CC1 889488504 OODXQZBUIHKCQJ-UHFFFAOYSA-N 219.328 2.653 30 20 BFED C#Cc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 891313938 DCEBOHHDTDZCOL-CYBMUJFWSA-N 225.291 2.963 30 20 BFED C=CCCO[C@H](C)C(=O)N(C)c1ccsc1 892549108 NTXHRNUEUVKIRM-SNVBAGLBSA-N 239.340 2.692 30 20 BFED CC[C@H](CC#N)N[C@H]1C[C@@H](OC)C1(CC)CC 893606410 OSNJSXDQWTZDKG-FRRDWIJNSA-N 238.375 2.862 30 20 BFED C[C@H](C(=O)N[C@H](C#N)C1CCCC1)C1CCC1 893708715 HZPZLEHXDZNGME-GXFFZTMASA-N 234.343 2.621 30 20 BFED Cc1cc(C#N)nc(N[C@H]2C[C@@H](OC(C)C)C2)c1 894150675 FBZOPHSMHOUMJK-BJHJDKERSA-N 245.326 2.630 30 20 BFED C#CCC1(C(=O)N(C)CCCF)CCCCC1 895296254 DNQAUHRZARBJMH-UHFFFAOYSA-N 239.334 2.778 30 20 BFED C=C[C@H](CC)CC(=O)Nc1cccc2nccn12 895504711 CNOFFPATNCKPOY-LLVKDONJSA-N 243.310 2.875 30 20 BFED C=CCCCc1nc(C(C)(C)COC)no1 896586686 IKNWOARIIATYDB-UHFFFAOYSA-N 224.304 2.502 30 20 BFED C#CCN(Cc1ccc(-c2cc[nH]n2)o1)C(C)C 897170856 JONBALSBSKTIPT-UHFFFAOYSA-N 243.310 2.513 30 20 BFED C=C1CN(C(=O)[C@@H]2CCC[C@H]2c2ccccc2)C1 898703277 LLIRZCIUNIGSRB-LSDHHAIUSA-N 241.334 2.969 30 20 BFED CC(=NN[C@@H]1CCCC[C@H]1O)C1CCCCC1 901342735 NXPMLQLHURQPJV-ZIAGYGMSSA-N 238.375 2.836 30 20 BFED N#CC1(CN[C@H](c2cccnc2)C2CCC2)CC1 903106818 WBPNOHFODCBZBS-AWEZNQCLSA-N 241.338 2.816 30 20 BFED C=C[C@H](CC)Cc1nc(-c2coc(C)n2)no1 904073858 LBRCRAUCUWDSPP-SECBINFHSA-N 233.271 2.788 30 20 BFED C=CCCCc1nc(-c2cnc(N)cc2C)no1 904270114 WVZKEVNMOSXVBR-UHFFFAOYSA-N 244.298 2.531 30 20 BFED CC[C@H](CO)Sc1ccc(C#N)c(C)c1 917874053 UPPIDGKRWGIKFF-LLVKDONJSA-N 221.325 2.730 30 20 BFED C[C@H](CC(=O)NO)c1ccc(C(F)(F)F)cc1 920017078 BOQPFWCDXVBLFJ-SSDOTTSWSA-N 247.216 2.704 30 20 BFED Cc1ccc(C#N)cc1C(=O)N(C)C1CCCC1 929696476 MBUSZIANDBPHEQ-UHFFFAOYSA-N 242.322 2.881 30 20 BFED C=C[C@H](CC)CC(=O)NCC1(SC)CC1 935706406 TXDDMPQTRUMMOY-SNVBAGLBSA-N 227.373 2.601 30 20 BFED CC(C)Cc1nnc(C#Cc2ccccc2)o1 1118358472 SQXVIDOGBBFIIQ-UHFFFAOYSA-N 226.279 2.668 30 20 BFED C=CC[C@H](NC1CCC(C)(C)CC1)C(=O)O 1119536210 ICTRIJCDBYPVIW-NSHDSACASA-N 225.332 2.574 30 20 BFED CCSCCCNc1cc(C)cc(C#N)n1 1120039528 IQFFDZVTXNVPFI-UHFFFAOYSA-N 235.356 2.817 30 20 BFED C=C(CC)C(=O)N(C)Cc1ccc(C)s1 1123555253 YOKMOXFTRYJRRL-UHFFFAOYSA-N 223.341 2.981 30 20 BFED N#Cc1cccc(C#N)c1N1CCC=C(Cl)C1 1307156409 LJTPSZLQJDVTBA-UHFFFAOYSA-N 243.697 2.763 30 20 BFED Cc1cc(C#N)cc(NC(=O)NC2(C)CC2)c1 1324612094 IBVXUPHPGKBFJL-UHFFFAOYSA-N 229.283 2.541 30 20 BFED C=CCN(C(=O)CC1CC(F)(F)C1)C(C)C 1328233148 NSQZYXPACWJMRP-UHFFFAOYSA-N 231.286 2.845 30 20 BFED C=C[C@@](C)(CC)C(=O)Nc1c(F)ccnc1F 1331786321 YDLJWGQKTXZDTN-LBPRGKRZSA-N 240.253 2.901 30 20 BFED C=CCN(c1cc(C#N)cc(Cl)n1)C1CC1 1339648501 ISDQKNNQFKUHPV-UHFFFAOYSA-N 233.702 2.761 30 20 BFED C#CC[C@@H](CC)c1nnc(N(CC)C(C)C)n1C 1341153436 CZCHFYCFFKBCJK-GFCCVEGCSA-N 248.374 2.567 30 20 BFED C[C@@H]1CC[C@H](CNc2cccc(CC#N)n2)C1 1344429011 VYRGTEUXZZCBNU-NEPJUHHUSA-N 229.327 2.996 30 20 BFED C#CC[C@H](OC(=O)[C@@H](F)CC)C(C)(C)C 1345579272 JNJLVVBKJKRBJM-UWVGGRQHSA-N 214.280 2.716 30 20 BFED C=C(C)CCC(=O)OCc1ccoc1C 1347052765 UYSGCDRUPOLSDJ-UHFFFAOYSA-N 208.257 2.988 30 20 BFED C=CC(C)(C)Cc1nnc(N(C)CC(=C)C)n1C 1350551485 YDACXUHEMQMHQD-UHFFFAOYSA-N 248.374 2.582 30 20 BFED C=CCC[C@H]1CCCN1C(=O)NCC(C)C 1356382343 MDNXYZLZEFBNNI-LBPRGKRZSA-N 224.348 2.783 30 20 BFED N#Cc1cccc(NCc2ccc(Cl)nn2)c1 1462029832 SIFVIPIFMZZEKX-UHFFFAOYSA-N 244.685 2.614 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)CC1CCCC1 1518561486 DNSQHXAOUFFSNQ-LBPRGKRZSA-N 222.332 2.717 30 20 BFED C=CCC[C@H](C)Nc1ccc2c(c1)CNCCO2 1574901900 WFBVPGPKPMMHFE-LBPRGKRZSA-N 246.354 2.935 30 20 BFED C=CCC[C@H](C)N1CCC2(CC1)C[C@H]2C(=O)O 1776166357 VJFPHRZDJRXUHN-RYUDHWBXSA-N 237.343 2.528 30 20 BFED CC(C)COCCC(=O)Nc1ccc(C#N)cc1 19847398 TVQMPOFDWAVYBH-UHFFFAOYSA-N 246.310 2.559 30 20 BFED CCCCCOC(=O)c1ccc(C#N)cc1 32179611 PSHNNCVKUDBIDE-UHFFFAOYSA-N 217.268 2.905 30 20 BFED CC(C)CCNC(=O)Nc1cccc(C#N)c1 36179875 GVWLOAQXVNPXLD-UHFFFAOYSA-N 231.299 2.726 30 20 BFED C[C@H](CCc1ccco1)NCCCCC#N 42225512 CEFZCDHMLBIKTD-GFCCVEGCSA-N 220.316 2.884 30 20 BFED CCCC[C@@H](CC)C(=O)N(C)C[C@H](C)C#N 42460246 LBNBGNYWJIGDPY-VXGBXAGGSA-N 224.348 2.821 30 20 BFED CC[C@@H](C#N)C(=O)Nc1ccc(F)cc1C 44811525 XDFWNNGCWCCTHW-VIFPVBQESA-N 220.247 2.622 30 20 BFED C=C(C)CN(C)Cc1cccc(C#N)c1 46518238 SXBGYANDDLFKAD-UHFFFAOYSA-N 200.285 2.566 30 20 BFED C=CCNC(=O)CCc1ccc(C)cc1C 54115419 VHGAGKSNEOJYAI-UHFFFAOYSA-N 217.312 2.538 30 20 BFED CC(C)C1CCC(NC[C@H](C)C#N)CC1 54556812 YDKWENJJXURCNB-PNESKVBLSA-N 208.349 2.950 30 20 BFED CC(C)CC(=O)OCc1ccc(C#N)cc1 58965997 URLPMIQNVRJZKK-UHFFFAOYSA-N 217.268 2.648 30 20 BFED CCc1cc(C(=O)N(CC)CC#N)sc1C 68231416 ASDOIVKYYNRKTP-UHFFFAOYSA-N 236.340 2.605 30 20 BFED Cc1cc(C)cc(OCCN[C@H](C)CC#N)c1 68613433 MEHHIOGHHDUXCY-CYBMUJFWSA-N 232.327 2.574 30 20 BFED CCCCOC(=O)/C=C/c1ccccc1C#N 68742179 PCUDHURMHYRIGN-CMDGGOBGSA-N 229.279 2.915 30 20 BFED CN(CC#N)CCOc1cccc2ccccc12 68971620 SGWAZLXIMWAMTJ-UHFFFAOYSA-N 240.306 2.674 30 20 BFED C#CCCNc1cc(OCC)ccc1OCC 70160802 ZFHHRYVLMUCYTD-UHFFFAOYSA-N 233.311 2.919 30 20 BFED CCC[C@@H](C)N(C)CCCSCC#N 80626921 VZNIBHAGYTUUKJ-LLVKDONJSA-N 214.378 2.754 30 20 BFED C#Cc1cccc(N[C@@H]2CCCOCC2)c1 83424178 CQOYBNAPAPYQAL-CYBMUJFWSA-N 215.296 2.649 30 20 BFED CN1CCN(CCC(C)(C)C#N)c2ccccc21 87595673 CRAUWGBPQZQWGA-UHFFFAOYSA-N 243.354 2.883 30 20 BFED CN(CCc1cccs1)c1ccc(C#N)cn1 90801926 XFUJPYPIQJNOFE-UHFFFAOYSA-N 243.335 2.694 30 20 BFED C[C@H]1CCCN1c1cccc(F)c1C#N 90824989 RBDPILBINFUMHO-VIFPVBQESA-N 204.248 2.686 30 20 BFED CC#CCN[C@@H](C)c1cc(C)ccc1OC 90919533 MHSXPASELJLJGS-LBPRGKRZSA-N 217.312 2.678 30 20 BFED CC[C@H](CSC)N(C)c1ccc(C#N)cn1 91022563 WVIJEHFRURXBIY-LLVKDONJSA-N 235.356 2.531 30 20 BFED C=C[C@@H](N)c1cc(Br)cc(OC)c1 95643582 VTOOJKAJFNVJMI-SNVBAGLBSA-N 242.116 2.644 30 20 BFED N#CC[C@H](N)c1cccc(F)c1Br 95682932 DTFNZIHWGJYEBN-QMMMGPOBSA-N 243.079 2.502 30 20 BFED C=CCCOC(=O)c1cc([N+](=O)[O-])ccc1C 103647009 DWDDZXYVBCPQLZ-UHFFFAOYSA-N 235.239 2.636 30 20 BFED C=CCCOC(=O)CCc1ccc(OC)cc1 103650391 VKDHCHXGZYTMNV-UHFFFAOYSA-N 234.295 2.747 30 20 BFED Cc1ccc(C)c(NC(=O)N(C)CCC#N)c1 107133136 ICGCPQKBQMFZBB-UHFFFAOYSA-N 231.299 2.681 30 20 BFED C#CCN(CC)C(=O)C[C@H](C)CC(C)(C)C 108912219 CJHXGRBDMVFYMO-LBPRGKRZSA-N 223.360 2.931 30 20 BFED C=CC[C@@H](C)NC(=O)N[C@H](CC)CCC 116951068 WDHIEDUJSLZJCJ-GHMZBOCLSA-N 212.337 2.829 30 20 BFED CC#CCNC(=O)[C@@H](C)Cc1cccc(Cl)c1 121393677 BEONXPCGRFAZQA-NSHDSACASA-N 249.741 2.658 30 20 BFED C#CCSCCN[C@@H](C)CSC(C)(C)C 129976504 JGOBCAOCJKGITM-NSHDSACASA-N 245.457 2.863 30 20 BFED C#C[C@@H](C)NCc1ccccc1Br 135167902 UUKYNWDPRXLGLZ-SECBINFHSA-N 238.128 2.560 30 20 BFED CC[C@](C)(C#N)C(=O)N1CCc2sccc2C1 136162322 SENZTYJPLVQLMK-CYBMUJFWSA-N 248.351 2.573 30 20 BFED C=CCNC(=O)CCc1cc(C)cc(C)c1 136318312 QYRAHJCPUOFOHN-UHFFFAOYSA-N 217.312 2.538 30 20 BFED C=CCC[C@@H](CC)N[C@@H](CO)CC(C)C 151201009 LKNRMKRRYRYCCE-CHWSQXEVSA-N 213.365 2.728 30 20 BFED CC[C@H]1CCN(c2ncc(C#N)cc2Cl)C1 152862344 DGUXFGUOOCMTNY-VIFPVBQESA-N 235.718 2.843 30 20 BFED COCCNc1ccc(C(F)(F)F)c(C#N)c1 154037011 PVCKUAOUMXZCTK-UHFFFAOYSA-N 244.216 2.635 30 20 BFED CC#CCCSc1nc(C)nc(C)c1C(C)=O 154855100 LIJKNANONRWZHJ-UHFFFAOYSA-N 248.351 2.802 30 20 BFED C#CCCCCNC(=O)Cc1cc(C)ccc1C 156637458 HEUSAEWHRQJIHA-UHFFFAOYSA-N 243.350 2.766 30 20 BFED C=C[C@@H](C)N[C@H]1Cc2ccc(Cl)cc2C1 157274332 NUMCMVMULAQIME-RNCFNFMXSA-N 221.731 2.971 30 20 BFED CCCCCCCCC(=O)NC[C@@H](O)C(C)C 157691298 UZTPZEYGFBWZTF-CYBMUJFWSA-N 243.391 2.870 30 20 BFED CC[C@@H](CC#N)NC(=O)C1(C)CCCCC1 158102913 HFHXOIFUEWJDKX-NSHDSACASA-N 222.332 2.765 30 20 BFED C[C@@H](O)C[C@H]1CCCN1CCCC(C)(C)C#N 159206652 CQZHYJSYJUDPKA-CHWSQXEVSA-N 238.375 2.552 30 20 BFED C=C(C)CNC(=O)[C@H](C)OC1CCCCCC1 161215815 ZGKZJOGOBJOQMT-LBPRGKRZSA-N 239.359 2.807 30 20 BFED C#CCCOC(=O)[C@H](c1ccccc1)C1CC1 162036586 QHRKPPKNVBGBKS-CQSZACIVSA-N 228.291 2.747 30 20 BFED Cc1ccc(NC(=O)NCC(C)(C)C#N)cc1 167025233 BVRPSTKCWOIUBI-UHFFFAOYSA-N 231.299 2.666 30 20 BFED C=CCCC(=O)N(C)Cc1ccccc1OC 171421313 QGQGRNGTWQRFGM-UHFFFAOYSA-N 233.311 2.620 30 20 BFED C=CC[C@H](C)NC(=O)N[C@@H](C)[C@H](C)CC 172063525 DUFNZQGZKDNAPM-VWYCJHECSA-N 212.337 2.685 30 20 BFED C#CCCCNC(=O)C[C@@H](C)c1ccccc1F 172932364 FDHFJGMZQZVHAZ-GFCCVEGCSA-N 247.313 2.849 30 20 BFED C#CCCCNC(=O)N(CCC(C)C)C1CC1 173321369 AEFYDHMJFLOFKI-UHFFFAOYSA-N 236.359 2.620 30 20 BFED CC(=O)CSCc1cn2ccccc2c1C#N 176773193 ZXUNGPUPHMVDAQ-UHFFFAOYSA-N 244.319 2.633 30 20 BFED N#CC1(NC(=O)CCc2ccoc2)CCCCC1 177632238 DRJYFWKKFIDADX-UHFFFAOYSA-N 246.310 2.555 30 20 BFED C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCCC(C)(C)C1 178869817 BRLBTABKVMAWTP-NWDGAFQWSA-N 236.359 2.963 30 20 BFED C=C(C)CN(C)C(=O)c1cc(C)n(C(C)(C)C)n1 180420983 UMOWWSHGEUQJOZ-UHFFFAOYSA-N 249.358 2.595 30 20 BFED C#CCSCCNCC(C)(C)c1ccccc1 181833175 TWJAIUMKQNAGKX-UHFFFAOYSA-N 247.407 2.920 30 20 BFED N#CCC(=O)Nc1scnc1-c1ccccc1 185031340 CQAGMBFDYAYKKY-UHFFFAOYSA-N 243.291 2.662 30 20 BFED C#CCC(C)(C)C(=O)NC[C@H]1CCC[C@H](C)C1 185257980 RFWNPMINMALJEM-STQMWFEESA-N 235.371 2.978 30 20 BFED COCCC(C)(C)CNCC(C)(C)CCC#N 185287268 HHJIGCOUFOJXBU-UHFFFAOYSA-N 240.391 2.969 30 20 BFED C=C(C)CSCCCNC(=O)C1CCCC1 190963128 JAKVRRWBDIURJE-UHFFFAOYSA-N 241.400 2.992 30 20 BFED C#CCN(C)C(=O)c1ccc(O[C@@H](C)CC)cc1 191174829 VJCJFFVIPAMGMJ-LBPRGKRZSA-N 245.322 2.569 30 20 BFED Cc1ccc(C#N)cc1OCc1cccnc1 193677720 PKZCWMJZRJDOEO-UHFFFAOYSA-N 224.263 2.841 30 20 BFED C=CCN(C(=O)NCc1ccccc1)C(C)C 226383806 ZGHFRXXKMZLSCK-UHFFFAOYSA-N 232.327 2.793 30 20 BFED Cc1ccnc(NC2Cc3ccccc3C2)c1C#N 231038627 BISNVKIENSNSGF-UHFFFAOYSA-N 249.317 2.841 30 20 BFED Cc1ccc(CC(=O)N[C@H](C#N)CC(C)C)cc1 259981678 OWAZWLYAENATAZ-AWEZNQCLSA-N 244.338 2.592 30 20 BFED CC(C)(C)N/C(N)=N/CC[C@H]1C[C@H]2CC[C@H]1C2 262005547 RKCQYFMINGNUOW-SRVKXCTJSA-N 237.391 2.516 30 20 BFED N#CCCCCNc1ncnc2sccc12 264212405 NBGCLPDHVFSVNP-UHFFFAOYSA-N 232.312 2.797 30 20 BFED C=CC[C@H](C)[C@H](C)NCCCn1ccnc1C 268881445 RUKZNPBNDAOQFI-STQMWFEESA-N 235.375 2.772 30 20 BFED C[C@@H]1C[C@H](CNc2ccc(C#N)cc2F)CCO1 271408594 SNOKKDHPYTWZLO-ZYHUDNBSSA-N 248.301 2.924 30 20 BFED Cc1ccc(/C=N/OCc2nnc(C)s2)cc1 271423858 CHCZLCRGAWARRM-NTUHNPAUSA-N 247.323 2.706 30 20 BFED COc1ccc([C@H](C)NCCCC#N)c(OC)c1 271772852 NXSRYHXKPRHWBD-NSHDSACASA-N 248.326 2.658 30 20 BFED C[C@@H](C(=O)OCc1ccc(CC#N)cc1)C1CC1 271901598 VQJXIGCNNBQKRQ-LLVKDONJSA-N 243.306 2.842 30 20 BFED COCC[C@H](NCCCCC#N)c1ccco1 273309426 TXTSAQTVNLEOCQ-LBPRGKRZSA-N 236.315 2.641 30 20 BFED C=CCCCCN[C@@H](CC)c1nccn1C 274606789 RXSIPSLBQSKGNH-LBPRGKRZSA-N 221.348 2.817 30 20 BFED CC[C@@H](C)CC(=O)N(CCC#N)Cc1ccco1 276619475 NMRXSJJBYOPMQE-GFCCVEGCSA-N 248.326 2.958 30 20 BFED C=CC[C@H](CC)NC(=O)c1ccc(Cl)cn1 281042157 JEHYEPCBZBIYSH-JTQLQIEISA-N 238.718 2.820 30 20 BFED CC[C@@H]1CN(c2ccc(C#N)cc2F)CCCO1 282022990 YPEFOVYRHDGZKR-GFCCVEGCSA-N 248.301 2.703 30 20 BFED CCN(CC#N)Cc1ccc2occc2c1 289165004 RIYRTAHFQKEQGP-UHFFFAOYSA-N 214.268 2.778 30 20 BFED C[C@H]1C[C@H](CCNc2cccnc2C#N)CCO1 290915210 HKDLRNHWBBZNRG-NWDGAFQWSA-N 245.326 2.570 30 20 BFED C=CCN(CC=C)C(=O)NCc1ccsc1 298661606 WCFPMQXYJZMJJA-UHFFFAOYSA-N 236.340 2.632 30 20 BFED C[C@H](C#N)CNc1ncc(Cl)cc1Cl 307753746 WYGBPYSSKFCUSV-ZCFIWIBFSA-N 230.098 2.960 30 20 BFED Cc1nc(N[C@@H]2CC[C@H](C)C2)ccc1C#N 309173865 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244.338 2.983 30 20 BFED C=CCC(C)(C)C(=O)N1CCS[C@H](C)[C@@H]1C 334520110 WTSNFNKUZJIRCF-WDEREUQCSA-N 241.400 2.941 30 20 BFED Cc1ccsc1CN(C)C(=O)[C@]1(C#N)C[C@H]1C 334661961 KARVMLMTZHNPCN-MFKMUULPSA-N 248.351 2.565 30 20 BFED C[C@H](C(=O)N1CCC(C)(C#N)CC1)C1CCC1 334704235 VIDWEXSNPXYVJD-NSHDSACASA-N 234.343 2.575 30 20 BFED CC1CCC(NCC2(C#N)CCC2)CC1 334932831 ZGNNUUWESGGMAW-UHFFFAOYSA-N 206.333 2.849 30 20 BFED C=C(C)CN1Cc2ccc(C(C)=O)cc2C1 335176717 OHYSLEKCSGZSTN-UHFFFAOYSA-N 215.296 2.781 30 20 BFED C[C@H](NC(=O)C1(C#N)CCCCC1)C(F)(F)F 335349390 SJPGQYMSBYKCRG-QMMMGPOBSA-N 248.248 2.527 30 20 BFED C[C@@H]1CN(Cc2ccc(CC#N)cc2)CCS1 335807203 SDQKABLQFRXLDL-GFCCVEGCSA-N 246.379 2.690 30 20 BFED C=CC1CCN(C(=O)C2(SC)CCC2)CC1 335821312 IJXLOCIXCQPQPU-UHFFFAOYSA-N 239.384 2.697 30 20 BFED C=C(C)CCN1CCN(C)CC12CCCCC2 336164868 VZSWELIUZOORMG-UHFFFAOYSA-N 236.403 2.903 30 20 BFED Cc1ccc(NC(=O)[C@]2(C#N)C[C@H]2C)cc1C 336233390 FPTSDJBAJFGWGT-RISCZKNCSA-N 228.295 2.792 30 20 BFED N#Cc1nn(CC2CC(F)(F)C2)c2ccccc12 336271750 RBFYPJCVBNAFAN-UHFFFAOYSA-N 247.248 2.953 30 20 BFED C=CCN1CCC(NCCCC(C)C)CC1 336646493 BGDZVQRBGVSFPZ-UHFFFAOYSA-N 224.392 2.663 30 20 BFED CCC[C@@H](C#N)N(C)C(=O)C1CCCCC1 339163406 DMSVVZTVQRIFCJ-LBPRGKRZSA-N 222.332 2.717 30 20 BFED C=C(C)CN(CC)C(=O)[C@H](C)c1ccccn1 339242458 LRDMPNQZHJEFKY-GFCCVEGCSA-N 232.327 2.610 30 20 BFED CCN(CC1(C#N)CC1)c1ccccc1F 343317960 AQQAVJXIEFKUDK-UHFFFAOYSA-N 218.275 2.956 30 20 BFED CCCC1(C(=O)N(C)C[C@H](C)C#N)CCC1 345592858 WTXNPXJOFHWJDY-LLVKDONJSA-N 222.332 2.575 30 20 BFED CCC[C@]1(CO)CCCN1CCC(C)(C)C#N 347121381 LWVNDOZNYSGCQI-CQSZACIVSA-N 238.375 2.553 30 20 BFED C=CCC[C@H](C)NC[C@H]1CCC[C@@H](CO)C1 348120701 SIPNHLXWCBGFAT-MELADBBJSA-N 225.376 2.729 30 20 BFED CCCc1cc(C(=O)NCCC#N)sc1C 350896236 MMOMWANRGXMIKB-UHFFFAOYSA-N 236.340 2.653 30 20 BFED C=C(C)CN(C)C(=O)NCc1sccc1C 352049826 TXRGSLVXTADCAT-UHFFFAOYSA-N 238.356 2.774 30 20 BFED CC(C)CC[C@H]1CCCCN1C(=O)[C@@H](C)C#N 352238712 VWRPNXQEHIJEFO-QWHCGFSZSA-N 236.359 2.963 30 20 BFED C=CCCC(=O)NC(C)(C)c1ccc(C)nc1 352761925 VLDFAFJWRHFCIL-UHFFFAOYSA-N 232.327 2.708 30 20 BFED C=CCOCCCSc1nncn1C(C)C 356032608 CPCAUJMWHWSMMC-UHFFFAOYSA-N 241.360 2.544 30 20 BFED C=C[C@](C)(O)CC(=O)Nc1ccc(/C=C\C)cc1 356485400 SGVOLXIEKNKEHI-VOKGJARPSA-N 245.322 2.985 30 20 BFED Cc1[nH]nc(NC(=O)C[C@@H](C)C(C)(C)C)c1C#N 357264238 VIRAHJKRWVHNAV-MRVPVSSYSA-N 248.330 2.601 30 20 BFED C=C(CC)CN1CCN(c2cccs2)CC1 358507024 KHOSYLBPINDMMP-UHFFFAOYSA-N 236.384 2.836 30 20 BFED C=C(CC)CNc1cc(C)c(F)cc1C(N)=O 358667799 RAJRQCKBYCVQPP-UHFFFAOYSA-N 236.290 2.611 30 20 BFED N#CCN(CCCc1ccsc1)C1CC1 360897725 VRRSPBHQJYOWIZ-UHFFFAOYSA-N 220.341 2.669 30 20 BFED C=CCCC1(C(=O)N2CCO[C@H]3CCC[C@H]32)CC1 361611745 RPQBNPABDUJCDM-OLZOCXBDSA-N 249.354 2.513 30 20 BFED C[C@H]1C[C@@H]1CC(=O)N(CC#N)c1ccccc1 361718407 VVHYULZZVFBJPY-NWDGAFQWSA-N 228.295 2.589 30 20 BFED C=CCCC(=O)NCC1(c2ccccn2)CCC1 367821521 SHNAXPVQWHSHKZ-UHFFFAOYSA-N 244.338 2.586 30 20 BFED CC[C@H](CC#N)NCCC(C)(C)SC 385337756 WPSKEHBPBXBYHB-SNVBAGLBSA-N 214.378 2.800 30 20 BFED CC#CCNc1cnn(CC(C)C)c1CC 393789824 YAFHEJMHQNRHGK-UHFFFAOYSA-N 219.332 2.537 30 20 BFED CC[C@@H]1CCCC[C@@H]1Nc1cncc(C#N)n1 401204523 BPNQTXJBCCXQQE-PWSUYJOCSA-N 230.315 2.729 30 20 BFED N#CC1(CSc2ncco2)CCCC1 405101144 DFQIUCMNDJWCDT-UHFFFAOYSA-N 208.286 2.851 30 20 BFED C=C[C@H]1CCCCN1C(=O)[C@@H](C)CC(F)F 412290810 QIUAEAXJZQJVSW-UWVGGRQHSA-N 231.286 2.845 30 20 BFED CC1(C)C[C@H]1CNc1ncc(C#N)cc1F 413129462 BOJIYCIJSNSEPF-VIFPVBQESA-N 219.263 2.550 30 20 BFED CCC[C@H](C)[C@@H]1CCCN1c1cncc(C#N)n1 420618941 XRMCDSQCBNGGJI-AAEUAGOBSA-N 244.342 2.753 30 20 BFED C[C@@H](CCCN)N[C@H](CCC#N)c1ccccc1 423000096 URXWOWYQHORRCO-DZGCQCFKSA-N 245.370 2.748 30 20 BFED C=CCOCC(=O)Nc1ccccc1C(F)F 425071607 KOTLYICYNCGFIT-UHFFFAOYSA-N 241.237 2.765 30 20 BFED CC(C)CNc1c(C#N)cccc1[N+](=O)[O-] 425206075 XMWPWESBIFKPLJ-UHFFFAOYSA-N 219.244 2.534 30 20 BFED CC[C@@H](F)COc1ccc(C#N)c(F)c1 440607019 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C=C(C)CNC(=S)N[C@@H](C)CCC(C)C 916117447 GEGQSDXNFIBKJV-NSHDSACASA-N 228.405 2.851 30 20 BFED N#CCCCOC(=O)c1ccc(O)c(Cl)c1 916618402 LMOPIMPZZOIYTM-UHFFFAOYSA-N 239.658 2.506 30 20 BFED N#Cc1c(F)cccc1SCCOC1CC1 917762116 WUVPJEDOYULMBL-UHFFFAOYSA-N 237.299 2.968 30 20 BFED Fc1cc(F)cc(NN=Cc2ccc[nH]2)c1 920376441 INMDGVCFQWKZSE-UHFFFAOYSA-N 221.210 2.739 30 20 BFED C=CCCOCCNC1CC2(CCCC2)C1 925630821 DHENBTWSGLXTAB-UHFFFAOYSA-N 223.360 2.892 30 20 BFED CC(=O)c1cccc(CN2CCC[C@@H](C#N)C2)c1 932155155 XPBKLIJWCIWPFO-AWEZNQCLSA-N 242.322 2.625 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](C)O[C@H](C)C1 935185784 SANZAQMABIBVPB-RNJOBUHISA-N 239.359 2.661 30 20 BFED C=C[C@H](CC)CC(=O)N1CCSCC[C@H]1C 935626950 OMTGARIODIGIOM-VXGBXAGGSA-N 241.400 2.943 30 20 BFED C=CCN(CC=C)c1nnc([C@H]2C[C@@H]2C)n1CC 1121846527 ZFZQWKOFVALYFM-RYUDHWBXSA-N 246.358 2.600 30 20 BFED CC#CCCCC(=O)O[C@H](C)CCCOC 1123324056 BCEWESDJRTWGGH-GFCCVEGCSA-N 226.316 2.538 30 20 BFED C=C(CC)C(=O)NCc1cc(C)cc(OC)c1 1123671293 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243.354 2.868 30 20 BFED C[C@H](N(C)c1ncccc1C#N)C(C)(C)C 42780451 RNQRWNDXHGCTRQ-JTQLQIEISA-N 217.316 2.824 30 20 BFED N#Cc1c(Cl)cccc1NCCn1ccnc1 48936099 CUUMWFVEXAVSRM-UHFFFAOYSA-N 246.701 2.520 30 20 BFED C[C@H](CC#N)N(C)CCc1ccc(F)cc1 49817897 XLNWWVGZOWGBPH-LLVKDONJSA-N 220.291 2.602 30 20 BFED C[C@@H](CC#N)NC(=O)c1ccc2ccccc2c1 50337170 GCVYYULVMAUVAZ-NSHDSACASA-N 238.290 2.872 30 20 BFED CC[C@H](CC#N)NCc1ccc(F)cc1F 51017416 IXQASIKTXORZJT-LLVKDONJSA-N 224.254 2.747 30 20 BFED C#CCN(Cc1ccc(F)cc1)C(=O)C=C(C)C 65768021 YNTVZGQZYBEDSW-UHFFFAOYSA-N 245.297 2.754 30 20 BFED C#Cc1cccc(N[C@@H]2CCO[C@@H](C)C2)c1 69855893 WHPUAWRZGIKTCV-SMDDNHRTSA-N 215.296 2.647 30 20 BFED C=CCN(C(=O)c1ccncc1)c1ccccc1 73982105 NSQPZCHZKFGTOX-UHFFFAOYSA-N 238.290 2.914 30 20 BFED CC(C)Cc1ccc(CN(C)CC#N)cc1 75828431 JWRJXYYTEVHKOD-UHFFFAOYSA-N 216.328 2.840 30 20 BFED N#Cc1ccc(F)c(C(=O)NC2CCCCC2)c1 75912005 XYJIJVWXFGPJFP-UHFFFAOYSA-N 246.285 2.760 30 20 BFED COC[C@@H]1CCCN(c2ccc(F)cc2C#N)C1 78256209 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BFED N#CCSCc1nc(-c2cccc(F)c2)no1 109606680 JWQFCAXRNLMWDE-UHFFFAOYSA-N 249.270 2.632 30 20 BFED CCCCCCCCC(=O)NC[C@H]1CCCN1 115064231 SMTDEHNMMBUZNT-CYBMUJFWSA-N 240.391 2.605 30 20 BFED C=CCOC(=O)[C@H]1C[C@H]1c1c(F)cccc1F 116471424 OYUQFFPNSUPIDF-BDAKNGLRSA-N 238.233 2.798 30 20 BFED COCCCCCNc1ccc(C#N)cc1 120290359 WWLYMEOGEICPGR-UHFFFAOYSA-N 218.300 2.787 30 20 BFED CC(C)(C)c1nnc(SCCCCC#N)[nH]1 122279222 KCNPBYPTXDOAGM-UHFFFAOYSA-N 238.360 2.888 30 20 BFED C=C(C)COCCN[C@H]1CCc2c(F)cccc21 125617275 WWEGJNVCVJCIPH-HNNXBMFYSA-N 249.329 2.995 30 20 BFED C=C(C)COCCNC(=O)c1ccc(C)c(C)c1 125913727 JKOFHLJGKQQXOL-UHFFFAOYSA-N 247.338 2.626 30 20 BFED C=CC[C@@H](C)[C@@H](C)NCc1cnn(CC)c1 129688920 UDTVCFPLSDWZOS-VXGBXAGGSA-N 221.348 2.593 30 20 BFED C=CCCN1CCC[C@H]1CN1CCCCC1 132783837 HHAYKRLNMWTXCP-AWEZNQCLSA-N 222.376 2.513 30 20 BFED C=CCS(=O)(=O)CCCCCCCC 140622999 RSWDRFNCDWFYLX-UHFFFAOYSA-N 218.362 2.948 30 20 BFED C=C(C)CNC(=O)c1cc(C)n(C(CC)CC)n1 153031656 ADBYUZWBHAUUAL-UHFFFAOYSA-N 249.358 2.859 30 20 BFED C=CC[C@H](C)NC(=O)CCO[C@@H](C)CC(C)C 155299473 WNQLUOSUYLSFDX-STQMWFEESA-N 241.375 2.909 30 20 BFED C=C[C@@H](C)NC(=O)C1(c2ccccc2)CCC1 155754806 KSGAGOVOYNQNSS-GFCCVEGCSA-N 229.323 2.799 30 20 BFED C#CCN[C@@H](CC)c1ccccc1OC(F)F 157195778 PZQTUGRLPNUHIV-NSHDSACASA-N 239.265 2.962 30 20 BFED N#Cc1ccc(OC(=O)c2ccccc2)c(F)c1 158196788 RFQUBKWPXGXESW-UHFFFAOYSA-N 241.221 2.917 30 20 BFED COC(=O)CCCSc1cccc(C#N)c1 158737633 GEFJFLVRJURJBR-UHFFFAOYSA-N 235.308 2.604 30 20 BFED CC[C@@H](Nc1cc(C#N)cc(C)n1)c1ncc[nH]1 161694625 CSCQDIBALXMRAM-LLVKDONJSA-N 241.298 2.548 30 20 BFED C=C(C)COCCN[C@H]1CCC[C@H]1CC 161887442 CUYLGRXUCVSLPQ-OLZOCXBDSA-N 211.349 2.747 30 20 BFED C[C@H](NCc1cccc(C#N)c1)c1cscn1 162354434 ASTMXYRYPLDEDZ-JTQLQIEISA-N 243.335 2.866 30 20 BFED C=CCNC(=O)NCC(CC)(CC)CC 165107638 ILBSPGUFERVXBG-UHFFFAOYSA-N 212.337 2.688 30 20 BFED C=CCN(CCCCCO)CCc1ccccc1 171146313 IHQTYSYIVQWOCT-UHFFFAOYSA-N 247.382 2.880 30 20 BFED COc1ccccc1/C=N/OCCCSC 174075754 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2.622 30 20 BFED CCc1ccc(NC(=S)NCCCC#N)cc1 783756687 LQYJHQKNNMPOAH-UHFFFAOYSA-N 247.367 2.839 30 20 BFED CCOCCC=NNc1ccc(OC)cc1 788437191 NNSQWZJIXVUJPF-UHFFFAOYSA-N 222.288 2.520 30 20 BFED c1cnnc(NN=C2CCC23CCCC3)c1 788716934 PYHRQIBOGAXQFB-UHFFFAOYSA-N 216.288 2.599 30 20 BFED C(=NNCCc1ccccn1)C1CCCCC1 789105078 LBYDVEOSOSISED-UHFFFAOYSA-N 231.343 2.780 30 20 BFED CCC(=NNC1CCOCC1)c1cccc(C)c1 794919264 UPUHZCOHKJLHQK-UHFFFAOYSA-N 246.354 2.878 30 20 BFED CC(CSC(C)(C)C)=NNCC(C)(C)CO 799116540 NMQAAOISDDJSOR-UHFFFAOYSA-N 246.420 2.502 30 20 BFED CCC[C@H](C)[C@@H]1CCCN1CCO[C@@H](C)C#N 801930004 ZTIDEXVIYWIJHE-IHRRRGAJSA-N 238.375 2.816 30 20 BFED C/C=C(\C)C(=O)Nc1cc(C#N)ccc1NC 803304694 HKDCQWMBLSSTDK-RUDMXATFSA-N 229.283 2.505 30 20 BFED C#CCCc1noc([C@H](C)CCCC)n1 809396748 PKIFHBWHCQQIGR-SNVBAGLBSA-N 206.289 2.929 30 20 BFED CC[C@@H](O)CNN=C1C[C@H](C)CC[C@@H]1C(C)C 811656285 ITGKNHVIQXQNMH-JHJVBQTASA-N 240.391 2.795 30 20 BFED CC[C@H](O)CNN=C1CC[C@@H](C)C[C@@H]1CC 811657086 DQPROKFWHJTZDS-WOPDTQHZSA-N 226.364 2.549 30 20 BFED Cc1nc(C=NOC/C=C\Cl)c2ccccn12 811668203 CFKARCAKSANCOP-MRPIUGGPSA-N 249.701 2.746 30 20 BFED C=CCOCCOC(=O)[C@@](C)(CC)CCC 813895624 VXIPGPFKPSNFOT-ZDUSSCGKSA-N 228.332 2.949 30 20 BFED Oc1c(F)cc(Cl)cc1C=NOCC1CC1 814243994 AOPXLJANTIOHQW-UHFFFAOYSA-N 243.665 2.945 30 20 BFED CCC(C=Nn1ccccc1=O)(CC)CC 814894890 SLZHEOUANYULEV-UHFFFAOYSA-N 220.316 2.899 30 20 BFED C#C[C@H](C)NC/C(C)=C/c1ccccc1COC 816607084 FGLNWJNYHXKXMQ-UELRPHRMSA-N 243.350 2.848 30 20 BFED c1cnc2c(c1)CCC(=NNC1CCCC1)CC2 817326154 KJBVVSCURGFZJK-UHFFFAOYSA-N 243.354 2.849 30 20 BFED C=C(C)C(C)(C)C(=O)NOC[C@@H](C)CC 819541607 VWWVLJLGVPQOCJ-JTQLQIEISA-N 213.321 2.683 30 20 BFED CC[C@@H](C)NN=Cc1c(F)cc(C)cc1F 819809907 RIXDJFUDTODNQT-SECBINFHSA-N 226.270 2.995 30 20 BFED C[C@]1(COC(=O)c2ccc(C#N)s2)C[C@H]1F 822118186 DRBFXPNCQDVNIA-MWLCHTKSSA-N 239.271 2.525 30 20 BFED C#CCN(CC)C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 823414405 FGXHDXBKMQZVPY-WDNDVIMCSA-N 233.355 2.685 30 20 BFED C#CCOc1ccc(CNCC(=C)CC)cc1 825221611 TYEVIDLSXXGTBH-UHFFFAOYSA-N 229.323 2.754 30 20 BFED CC[C@](C)(C#N)C(=O)N[C@H](C)c1ccccc1O 827946672 OBUVBZGFBWSOFU-QMTHXVAHSA-N 246.310 2.509 30 20 BFED C#C[C@H](C)N(C)c1nccc2c(OC)cccc12 828037022 RYNCAURMDRCGAE-NSHDSACASA-N 240.306 2.701 30 20 BFED CC(CC(C)(C)C)=NNc1nccn1C 834977776 XEUBLLIUELOTML-UHFFFAOYSA-N 208.309 2.644 30 20 BFED C=C(C)[C@@H](C)OC(=O)[C@H]1Cc2cccc(C)c2O1 835298094 IEOMVADKCJZIFY-DGCLKSJQSA-N 246.306 2.806 30 20 BFED CC(C)C[C@@H]1CCCN(C(=O)C#CC2CC2)C1 837466536 NSSGEOUDGWQHPS-AWEZNQCLSA-N 233.355 2.685 30 20 BFED C=CCCCCOC(=O)c1ccc(Cl)nn1 837748209 JYDUYMCJRYQTDO-UHFFFAOYSA-N 240.690 2.643 30 20 BFED CC#CC(=O)N1CC2(CCCCC2)[C@H]1C(C)C 838128988 ZZVGDBNOTXPQND-CQSZACIVSA-N 233.355 2.827 30 20 BFED CN1CCN(N=C2CC[C@@H]3CCCC[C@H]3C2)CC1 839383128 FKRXFXIXBPWDSF-KBPBESRZSA-N 249.402 2.580 30 20 BFED CCCON=Cc1ccc(O)c(Cl)c1 842558534 YKYVHOIJHACVPX-UHFFFAOYSA-N 213.664 2.806 30 20 BFED C#CC1CCN(Cc2cc(C)cc(C)c2O)CC1 842633654 LNEGOUVOAMYOSS-UHFFFAOYSA-N 243.350 2.854 30 20 BFED C#C[C@@H](C)OC(=O)C1(c2ccc(C)cc2)CCC1 842726891 QTXOVEMNFYUVDS-CYBMUJFWSA-N 242.318 2.982 30 20 BFED C#C[C@@H](CC)NC(=N)N[C@@H](C)CCCC(C)C 849022145 CSYDETSFHCQXLZ-STQMWFEESA-N 237.391 2.727 30 20 BFED C/N=C(/NCC[C@H](C)CC(C)(C)C)NC1CC1 849108694 ZYPWBYDLRRKITA-NSHDSACASA-N 239.407 2.776 30 20 BFED C=C[C@@H](OC(=O)COC(C)C)c1ccccc1 851451982 FZZCMMUCZWYLCD-CYBMUJFWSA-N 234.295 2.882 30 20 BFED C=C(C)C(C)(C)C(=O)O[C@H](C)c1nccn1C 851572797 DEVAFMYCUYYMMK-SNVBAGLBSA-N 236.315 2.627 30 20 BFED C#C[C@](C)(CC)NCCN(C)c1ccccc1 852102883 SDLCXEPTFITHSM-OAHLLOKOSA-N 230.355 2.514 30 20 BFED Cc1ccccc1OCCN(C1CC1)[C@@H](C)C#N 852479846 JUYBDQAMJJCDLC-ZDUSSCGKSA-N 244.338 2.750 30 20 BFED C#CCOCCSc1ccc(F)cc1F 853014764 DNRPMJGJETWHDO-UHFFFAOYSA-N 228.263 2.707 30 20 BFED C(=NOC1CCCCC1)c1cnc2n1CCC2 853335343 QMZULIABRRWVDQ-UHFFFAOYSA-N 233.315 2.513 30 20 BFED COC(C)(C)CC=NNc1ccnc(Cl)c1 853395084 KHCFZFICNSPPDS-UHFFFAOYSA-N 241.722 2.948 30 20 BFED Fc1ccc(CON=CC2CC2)c(F)c1 853735376 SSSILAWKJYCGOA-UHFFFAOYSA-N 211.211 2.877 30 20 BFED C=CCCONC(=O)[C@H](C)c1ccc(CC)cc1 856031287 KAMTUXNOTXIEQP-GFCCVEGCSA-N 247.338 2.976 30 20 BFED C#CCCOC(=O)N[C@@H]1CCC[C@H](C(C)C)C1 858946732 ROLGWMPCXBQPPP-QWHCGFSZSA-N 237.343 2.951 30 20 BFED C#CCCOC(=O)N(C)C1CCC(F)(F)CC1 859159459 NVXFIWBFEOISDH-UHFFFAOYSA-N 245.269 2.656 30 20 BFED C=C(C)CN1CCC[C@@](O)(c2ccccc2)C1 859583299 SEFYNBQATBTRCO-HNNXBMFYSA-N 231.339 2.546 30 20 BFED C=CCCCC(=O)N1CCC(c2ncco2)CC1 862109593 YESRKWDXQUJIDW-UHFFFAOYSA-N 248.326 2.737 30 20 BFED CCCCCCCNC(=O)c1coc(CC)n1 862357903 MCTLFWRFOYVQDK-UHFFFAOYSA-N 238.331 2.937 30 20 BFED C[C@@H]1CC[C@@H](NC(=O)c2ccccc2CC#N)C1 867647200 SCZXHUGSNPUNJX-DGCLKSJQSA-N 242.322 2.671 30 20 BFED C=C(C)CCOC(=O)c1cn(CC)nc1C1CC1 869942570 GZHVYQJBBASMLY-UHFFFAOYSA-N 248.326 2.903 30 20 BFED Cc1cc(NN=C2CC[C@H](C)[C@@H](C)C2)nc(N)n1 872420230 ATQKLBPRGOHTCU-IUCAKERBSA-N 247.346 2.591 30 20 BFED C=CC(C)(C)CC(=O)N[C@H](CCCC)COC 878896218 VKCBQZSEGCAPJS-GFCCVEGCSA-N 241.375 2.910 30 20 BFED C=C1CCC(C(=O)N2CCOC3(CCC3)C2)CC1 889790665 WKORLLDXRIIAGR-UHFFFAOYSA-N 249.354 2.514 30 20 BFED Cc1nn(C(C)C)c(C)c1CN(CC#N)C1CC1 891800171 YUEZUZJEQCPOSH-UHFFFAOYSA-N 246.358 2.569 30 20 BFED CC[C@H](CC#N)N[C@@H]1C[C@H](OC)C1(CC)CC 893606412 OSNJSXDQWTZDKG-UPJWGTAASA-N 238.375 2.862 30 20 BFED CC[C@@](C)(C#N)c1nc(CCCCF)no1 897203394 QTGKBIFRRLMZIU-NSHDSACASA-N 225.267 2.553 30 20 BFED C=C1CN(C(=O)CCc2cc(Cl)cs2)C1 898696293 FFQZXWPXIJKLNM-UHFFFAOYSA-N 241.743 2.733 30 20 BFED C=C1CN(C(=O)c2scc(C)c2Cl)C1 898700670 JDQYRXAVUKCZAF-UHFFFAOYSA-N 227.716 2.722 30 20 BFED C=CCC[C@@H](CC)N[C@@H]1CCO[C@H]1C1CC1 903266096 SFZRPOOVJHGOML-MCIONIFRSA-N 223.360 2.888 30 20 BFED C[C@@H]1CN(CCCCC2(C#N)CCC2)[C@H](C)CN1 903752318 RAOYLDWGYCEXQA-ZIAGYGMSSA-N 249.402 2.533 30 20 BFED C[C@H]1CC[C@H](NC(=O)c2ccsc2C#N)C1 907591880 AYIZRSAPNAJBLR-IUCAKERBSA-N 234.324 2.538 30 20 BFED N#CCCCCOC(=O)c1ccsc1 912958326 BPWUDWBPFRAUDB-UHFFFAOYSA-N 209.270 2.599 30 20 BFED CCCC(CCC)=NNc1nccc(OC)n1 914696568 WSZLDEYIPBAZDP-UHFFFAOYSA-N 236.319 2.853 30 20 BFED COc1ccc(CNN=Cc2ccccc2)cc1 917547661 XUBPTKFCPBHHDP-UHFFFAOYSA-N 240.306 2.819 30 20 BFED C=C/C=C/CCOC(=O)[C@H]1CCO[C@H]1C(=C)C 923157556 GCLSMBLMCVLVCV-AAAGKOELSA-N 236.311 2.643 30 20 BFED C=C[C@@H](CC)CC(=O)N(C)c1c(C)noc1C 933880005 IEKQFZKFMMQKPG-NSHDSACASA-N 236.315 2.857 30 20 BFED C#Cc1ccc(NC(=O)N(C)[C@@H](C)C2CC2)cc1 934937384 HMYPLUVHSMETHG-NSHDSACASA-N 242.322 2.930 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1ccnc(OC)c1 936035980 GBRMUHAJEJCTMQ-JTQLQIEISA-N 234.299 2.631 30 20 BFED CC(=O)O[C@H](C)Sc1cccc(F)c1C#N 1118417722 OBODROVQPUGIQC-QMMMGPOBSA-N 239.271 2.699 30 20 BFED CC(=NOC(C)C)c1c(O)cccc1F 1119298411 ANBJXGUVTMVODP-UHFFFAOYSA-N 211.236 2.680 30 20 BFED C=C(C)CCC(=O)NC[C@H](O)c1ccccc1C 1120708813 HZOKIYUIORJVPE-AWEZNQCLSA-N 247.338 2.501 30 20 BFED CC[C@H](F)C(=O)Oc1ccc(C#N)c(C)c1 1262793678 KQOGKTUVKOLNRN-NSHDSACASA-N 221.231 2.520 30 20 BFED CC#CCOC(=O)c1cc2ccccc2n1CC 1318817982 ATKPAUZRKNJMCR-UHFFFAOYSA-N 241.290 2.841 30 20 BFED CCCCCCCC(=O)N(C1CC1)C1COC1 1326590225 OBMGZCRWGQPRLK-UHFFFAOYSA-N 239.359 2.737 30 20 BFED N#Cc1ccnc(/C=C/c2cnc3ccccn23)c1 1326786528 FJGCLRHLMUFXBC-SNAWJCMRSA-N 246.273 2.771 30 20 BFED C=CC(C)(C)CNC(=O)[C@H]1Cc2ccc(F)cc21 1330800448 UBUULXNQPIUVQU-ZDUSSCGKSA-N 247.313 2.794 30 20 BFED CCCCCCCNC(=O)[C@@H]1CCC[C@H]1OC 1335994028 PZFKFNFGTBODLL-CHWSQXEVSA-N 241.375 2.888 30 20 BFED C#CC[C@H](C)OC(=O)[C@@H]1CCCC[C@@H]1C 1342631576 DIEIVZCJGGQAAF-SDDRHHMPSA-N 208.301 2.768 30 20 BFED CCCSCC(C)=NNCC(C)C 1356020597 ASWXAAKJQMFCRX-UHFFFAOYSA-N 202.367 2.751 30 20 BFED Cc1cccnc1[C@H](C)Nc1cccc(C#N)n1 1458694009 AIGHMGRWDYEZCP-NSHDSACASA-N 238.294 2.830 30 20 BFED N#C[C@@H]1CC[C@@H](SC2=NCCS2)C1 1472925950 GCHZSBSXIFAALC-HTQZYQBOSA-N 212.343 2.515 30 20 BFED C#Cc1ccc(N2CCCC[C@H](C)C2)nc1 1515641155 OOFHNRWPEIOWOG-LBPRGKRZSA-N 214.312 2.689 30 20 BFED C=C(CC(C)C)C(=O)N1CCSCC[C@@H]1C 1528280628 YXBHKHUGKSYERG-LBPRGKRZSA-N 241.400 2.943 30 20 BFED O=C(O)c1c(F)cccc1NN=C1CCCC1 1602230351 FRKPXIHWBZSWRW-UHFFFAOYSA-N 236.246 2.866 30 20 BFED C=C[C@H](C)N[C@@H](C)c1cc(C(=O)O)cs1 1602812092 ADRNKUBIKXJHHF-YUMQZZPRSA-N 225.313 2.671 30 20 BFED C=C[C@@H](N[C@@H](C)c1cccc(C)c1C)C(=O)O 1602815979 HLTXOAJAXZLNBM-WCQYABFASA-N 233.311 2.593 30 20 BFED CC(C)(C#N)C(=O)Nc1ccccc1Cl 44318046 MLYGUCCGLOMJTF-UHFFFAOYSA-N 222.675 2.828 30 20 BFED C=CCOc1ccccc1C(=O)N(C)CC(C)C 45529406 JKDSVEWDGSNRHH-UHFFFAOYSA-N 247.338 2.979 30 20 BFED C=C(Cl)CSc1nnnn1C1CCCC1 48397984 FRWDCDXFUKQSKH-UHFFFAOYSA-N 244.751 2.633 30 20 BFED C=CCOc1cccc(NC(=O)NC2CC2)c1 49127542 KJFSUXRCJLYNEI-UHFFFAOYSA-N 232.283 2.535 30 20 BFED N#Cc1cc(NC(=O)CC(F)(F)F)ccc1F 51637514 KADNHCIHQIHYIO-UHFFFAOYSA-N 246.163 2.588 30 20 BFED N#CCCN(CCC#N)C(=O)CC1CCCCC1 57613172 CJVRPIAQDNZMPF-UHFFFAOYSA-N 247.342 2.613 30 20 BFED N#Cc1cc(Oc2ccc([N+](=O)[O-])cc2)ccn1 61815421 CVSKRPSGZIYORD-UHFFFAOYSA-N 241.206 2.654 30 20 BFED CC(C)[C@H]1CCCN1c1ccc(C#N)cn1 63859267 NVHZAGSENOLIKE-GFCCVEGCSA-N 215.300 2.578 30 20 BFED C=CCCC(=O)NC[C@H](C)Oc1ccccc1 70902384 YDRWPCNUFVYESV-LBPRGKRZSA-N 233.311 2.536 30 20 BFED Cc1ccc(CC(=O)NCCCCC#N)cc1C 70940642 BHGJXRWJEUTISR-UHFFFAOYSA-N 244.338 2.656 30 20 BFED CC[C@H](C)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 73972211 JZFBMNORBBKTDM-VHSXEESVSA-N 241.294 2.785 30 20 BFED C[C@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 77012517 HUJVGAHCCADPJA-ZDUSSCGKSA-N 244.338 2.821 30 20 BFED C=C(Cl)CNC(=O)N(C)C(C1CC1)C1CC1 77791481 WQKHHBQKEVQRHW-UHFFFAOYSA-N 242.750 2.569 30 20 BFED C=CCCCS[C@@H](C)CC(=O)OC 79584781 YDGICXWBQYSNBH-VIFPVBQESA-N 202.319 2.637 30 20 BFED COc1ccccc1CNc1cnccc1C#N 83366974 KXNOYARQPHGNNQ-UHFFFAOYSA-N 239.278 2.574 30 20 BFED C[C@H](CO)CSCc1cc(F)ccc1C#N 85139217 VEQVCPAXSSVAMG-SECBINFHSA-N 239.315 2.559 30 20 BFED CC[C@@H]1CCCN(CC2(CC#N)CC2)C1 88259291 COTXTJNTPOGWLH-GFCCVEGCSA-N 206.333 2.802 30 20 BFED Cc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C#N 96617943 KGNGGTKYECDSTR-LLVKDONJSA-N 242.322 2.739 30 20 BFED C=CCCC(=O)N[C@@H](C)COc1cccc(C)c1 102237857 CZLSRWYJSYBJBO-ZDUSSCGKSA-N 247.338 2.845 30 20 BFED C=CCCC(=O)N1CC[C@@H]2CCCC[C@@H]21 102346592 GUNAWVMDPMKKBF-RYUDHWBXSA-N 207.317 2.744 30 20 BFED C=CC[C@@H](C)NC(=O)c1cc(C)ccc1F 116849697 XSAWCAKSWAQAQR-SNVBAGLBSA-N 221.275 2.829 30 20 BFED C#Cc1cccc(N[C@@H](C)COCC)c1 119226981 WOOZQLBELCSUAK-NSHDSACASA-N 203.285 2.505 30 20 BFED CCCCCCC[C@@H](C)CNS(C)(=O)=O 119671749 RYAQVSXXBGCIBG-LLVKDONJSA-N 235.393 2.532 30 20 BFED C=C[C@@H](CC(=O)Nc1cc[nH]n1)c1ccccc1 119894627 SJCVPMFJHZWLFT-NSHDSACASA-N 241.294 2.708 30 20 BFED C=C(C)CN1CCOC[C@H]1c1ccc(CC)o1 126115689 SWIKFWSZDRIFTI-ZDUSSCGKSA-N 235.327 2.791 30 20 BFED CC[C@H](CC#N)NCc1c(O)cccc1Cl 127324091 YGEYXSGKHMCPRY-SECBINFHSA-N 238.718 2.827 30 20 BFED C=CCCC(=O)Nc1cc(C2CCCC2)[nH]n1 135704004 SHQWPFOTLJAAGN-UHFFFAOYSA-N 233.315 2.972 30 20 BFED C=CCN(CC=C)Cc1cc(C)ccc1O 148652932 PCQWLDSPLKPXNP-UHFFFAOYSA-N 217.312 2.875 30 20 BFED Cc1cnc(CSc2cc(C#N)ccn2)o1 150892622 YNWBNEHAQGLKRP-UHFFFAOYSA-N 231.280 2.542 30 20 BFED N#CCC[C@@H](C#N)COc1cccc(F)c1F 154168413 DYYKNHRCZXEYAV-VIFPVBQESA-N 236.221 2.787 30 20 BFED CC#CCCSc1nnc(CCC)o1 155311783 KRSBGBBIQVEGKU-UHFFFAOYSA-N 210.302 2.528 30 20 BFED C#CCCCCNC(=O)CCCc1cccs1 156082276 ZEVLSHAEDQCYMM-UHFFFAOYSA-N 249.379 2.991 30 20 BFED C#CCN[C@@H](C)C(C)(C)c1ccccc1 157169272 UVWMHCFTLDWNAC-LBPRGKRZSA-N 201.313 2.576 30 20 BFED Cc1cc(C#N)cc(Nc2cnn(C(C)C)c2)n1 161045966 IBGPYPJXZLZNSH-UHFFFAOYSA-N 241.298 2.783 30 20 BFED C=CC[C@@H](C)Nc1nnc(C(F)(F)F)s1 168086519 GWVWILKHZXUJTC-RXMQYKEDSA-N 237.250 2.933 30 20 BFED CCC/C(N)=N/OCc1cc(F)ccc1F 170938510 ORNUOKXBXWUINZ-UHFFFAOYSA-N 228.242 2.554 30 20 BFED C=CCNC(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 171410449 RJMCRDUQPDDNDY-VXGBXAGGSA-N 224.348 2.686 30 20 BFED N#CCC1(COC(=O)CCC(F)(F)F)CC1 174748577 RTZSJEMPUBARKY-UHFFFAOYSA-N 235.205 2.566 30 20 BFED CC[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 175700990 YVMADUCLNDTHDO-NSHDSACASA-N 245.326 2.539 30 20 BFED N#Cc1cccc(NC(=O)[C@H]2C[C@H]2C2CC2)c1 176443509 KYJSDUDHCTXMQW-STQMWFEESA-N 226.279 2.543 30 20 BFED CC(C)C[C@@H](C)NC(=O)c1cccc(CC#N)c1 178698043 XEODBKDRIUANJN-GFCCVEGCSA-N 244.338 2.917 30 20 BFED CN(CCC1CC1)Cc1ccccc1C#N 179247731 BYTSAFJVQBTHKZ-UHFFFAOYSA-N 214.312 2.790 30 20 BFED C[C@H](C#N)Oc1ccccc1NC(=O)C1(C)CC1 182030371 HINNCOAEDCATSW-SNVBAGLBSA-N 244.294 2.716 30 20 BFED C=CCCC[C@H](C)NC(=O)N[C@@H](C)CC 183500476 YVXNZYRAXXQTFC-QWRGUYRKSA-N 212.337 2.829 30 20 BFED CC[C@@H](CC#N)NC(=O)/C=C/c1ccccc1 183830325 KCTOTDWWCWXQGR-XEHSLEBBSA-N 228.295 2.508 30 20 BFED CC[C@H](CC#N)NC(=O)C[C@H]1CC[C@H](C)C1 183833954 NKEUDQKLWKDNAV-SDDRHHMPSA-N 222.332 2.621 30 20 BFED C#CCC(C)(C)COC(=O)c1cc(CCC)n[nH]1 185345844 ZKVJNNVNFPXLHN-UHFFFAOYSA-N 248.326 2.569 30 20 BFED Cc1cc(C(=O)N(CCC#N)CCC(C)C)co1 186627433 RMDOBNNEIYXXAH-UHFFFAOYSA-N 248.326 2.990 30 20 BFED C=C[C@@](C)(CC)C(=O)N(C)c1nccs1 188594675 ZUMIDLDWKCVMFO-NSHDSACASA-N 224.329 2.708 30 20 BFED C#CCCCC(=O)Nc1nc(CCC)cs1 190553369 LNBXZFMTHPJZCE-UHFFFAOYSA-N 236.340 2.838 30 20 BFED C#CCCCC(=O)N[C@@H]1CCC[C@H](SC)C1 192127964 OUCDFRGTTCWQMM-NEPJUHHUSA-N 239.384 2.580 30 20 BFED CCO/N=C(\N)C12CC3CC(CC(C3)C1)C2 193023044 WVBJOKUZVIGQDB-UHFFFAOYSA-N 222.332 2.512 30 20 BFED CCC1(CNc2cccc(C#N)n2)CC1 226808415 DPUBCMPTFJZCLR-UHFFFAOYSA-N 201.273 2.555 30 20 BFED Cc1cccc(C)c1C(=O)NCCCCC#N 231728231 BZTRZJRLQFWDHU-UHFFFAOYSA-N 230.311 2.727 30 20 BFED Cc1cc(C#N)nc(N[C@@H]2CCCC[C@H]2C)n1 231896039 KYJAIDCPSVRIMV-BXKDBHETSA-N 230.315 2.647 30 20 BFED C=CCC[C@H](O)CN1C[C@H](C)CCC[C@H]1C 247338009 JIMYTLSIQJIGBF-MCIONIFRSA-N 225.376 2.824 30 20 BFED Fc1ccc(C=NOCc2nccs2)cc1 255309284 ZNXZREOREMQXDK-UHFFFAOYSA-N 236.271 2.833 30 20 BFED Cc1ccccc1/C=C/C(=O)N[C@@H](C#N)C(C)C 264772059 OKKVSSRTWNVHHU-VFNNOXKTSA-N 242.322 2.673 30 20 BFED C=CCC[C@@H](CC)NC[C@H](O)c1ccc(C)o1 268981706 KSGOWNJJZDHZGU-OLZOCXBDSA-N 237.343 2.956 30 20 BFED C#CCCCSc1nnc(NC2CC2)s1 270890293 QZIYVFJALGZEQF-UHFFFAOYSA-N 239.369 2.618 30 20 BFED CCN(CC#N)[C@H](C)CCc1cccc(F)c1 272950165 KMPVBXZEIRFJRX-GFCCVEGCSA-N 234.318 2.992 30 20 BFED C[C@@H]1CCN(c2cccc(C#N)n2)CC1(C)C 273546563 XVCKSFHELIHNNF-LLVKDONJSA-N 229.327 2.826 30 20 BFED C#CCN(C(=O)Cc1ccc(Cl)cc1)C1CC1 274043249 MAJZQQRNBJJRCC-UHFFFAOYSA-N 247.725 2.507 30 20 BFED C=CCCN(C)C[C@@H](O)c1cccc(Cl)c1 276413579 LXMKEWBXEZDWRF-CYBMUJFWSA-N 239.746 2.881 30 20 BFED C#CCCCN(C)c1cc(OC)cc(OC)c1 276468789 RIMPMYVKDZCPGB-UHFFFAOYSA-N 233.311 2.553 30 20 BFED Cc1cc(OC(=O)CCOC(C)C)ccc1C#N 278107447 ZUOHGGUHYBTZGF-UHFFFAOYSA-N 247.294 2.587 30 20 BFED C=CC[C@@H](CC)NC(=O)CCc1cscn1 281367297 NCCQIPFXDVLKHM-SNVBAGLBSA-N 238.356 2.547 30 20 BFED C=CC[C@@H](C)NC(=O)c1nc(C(C)C)oc1C 285581622 VEURLTHFLWIRJG-SECBINFHSA-N 236.315 2.801 30 20 BFED C[C@H]1C[C@H](CCNc2cc(C#N)ccn2)CCO1 286734166 FUJXPZYAEGNLHM-NWDGAFQWSA-N 245.326 2.570 30 20 BFED C=CCCCCCCNC(=O)c1ncoc1C 287299617 ZIRSMTIZEQCYJN-UHFFFAOYSA-N 236.315 2.849 30 20 BFED C=C(C)CNC(=O)c1ccccc1OC1CC1 288003692 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2.904 30 20 BFED Cc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1F 335559498 BUQNZXGIOIPTOR-WCQYABFASA-N 232.302 2.916 30 20 BFED C=CCC1(C(=O)N2CCC2)CCCCC1 336231721 RYKGFWMYSYTSIS-UHFFFAOYSA-N 207.317 2.745 30 20 BFED CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(C#N)s1 336414747 FDCBWPSIEXJKNR-ONGXEEELSA-N 248.351 2.880 30 20 BFED Cc1nn(C[C@@H]2C[C@H]2c2ccccc2)cc1C#N 336622256 RIOZHGWGROEBHB-ZFWWWQNUSA-N 237.306 2.867 30 20 BFED Cc1cc(Cl)cc(C)c1CNCCC#N 336726045 GRRFFWCPDHPUHR-UHFFFAOYSA-N 222.719 2.960 30 20 BFED C[C@@H]1CCC[C@@H]1NCc1ccc(F)cc1C#N 337453890 GWVJOTDWFHLULE-YGRLFVJLSA-N 232.302 2.976 30 20 BFED C=CCOCCOc1c(F)cccc1F 338528357 PSVUIKWCZGRRNX-UHFFFAOYSA-N 214.211 2.546 30 20 BFED C=CCCC(=O)NCC1(c2ccccc2)CC1 338621043 NWICPVPPNAJUGU-UHFFFAOYSA-N 229.323 2.801 30 20 BFED C=CCOCCN1C[C@@H](C)c2ccccc21 338908274 PZLQFHXEXUMQDM-GFCCVEGCSA-N 217.312 2.813 30 20 BFED C[C@H](CN(C)[C@@H]1CC[C@@H](C#N)C1)c1nccs1 339082115 AZRWPNHEZKDSFY-IJLUTSLNSA-N 249.383 2.871 30 20 BFED CC#CCN(C)C(=O)C[C@H](C)CC(C)C 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246.358 2.742 30 20 BFED C=CCN(C(=O)C1CC(C)(C)C1)C1CC1 354453426 KBDXCXGCDVKFQE-UHFFFAOYSA-N 207.317 2.600 30 20 BFED C=C(CC)COc1nc(C)cc(C)c1[N+](=O)[O-] 354542131 WUPDZBYGSAZUDR-UHFFFAOYSA-N 236.271 2.952 30 20 BFED C=CCOCCCSc1nc(C)co1 355937457 KOGOLDICCVASHU-UHFFFAOYSA-N 213.302 2.668 30 20 BFED CCC[C@H](CNCC(C)(C)CCC#N)OC 356334042 LEUDFXCKOVXRJN-GFCCVEGCSA-N 226.364 2.721 30 20 BFED C=CCN(C/C=C\c1ccccc1)CCOC 361644577 QDOGHTWZDIFWDR-YFHOEESVSA-N 231.339 2.834 30 20 BFED C#C[C@H](NC(=O)N1CCC2(CCCC2)C1)C(C)C 374266302 VGNAQNXTIJBTIU-ZDUSSCGKSA-N 248.370 2.620 30 20 BFED N#CCCCCN1CCC[C@@H](C2CC2)C1 377497786 XIJKEQIHCVXXNX-CYBMUJFWSA-N 206.333 2.802 30 20 BFED C[C@H](C#N)OCCN1CCCCc2ccccc21 381007686 PQBWOLODPUJVLA-CYBMUJFWSA-N 244.338 2.758 30 20 BFED CC#CCOc1cc(F)c([N+](=O)[O-])cc1Cl 390418305 IKISSHBJIDAJMU-UHFFFAOYSA-N 243.621 2.789 30 20 BFED C=CCC(C)(C)CN[C@H]1COC(C)(C)C1 396799047 GXNFGLFMNWJBCF-LLVKDONJSA-N 211.349 2.746 30 20 BFED CC[C@@](C)(C#N)C(=O)NCCSC(C)(C)C 398410007 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2.575 30 20 BFED C=C(C)CCN=c1[nH]nc(C(C)(C)C)s1 450707063 AIKPNVPVCPLJLO-UHFFFAOYSA-N 225.361 2.636 30 20 BFED C=C(CC)CNC(=O)c1ccc(C)c(OC)c1 453029773 YGXUDPPMHYXNMG-UHFFFAOYSA-N 233.311 2.700 30 20 BFED C=C(CC)CNC(=O)NCc1cccc(F)c1 454255842 FSVQBZCDCFESNR-UHFFFAOYSA-N 236.290 2.591 30 20 BFED C=C(CC)CNC(=O)N(C)[C@@H](C)c1ccco1 455519412 HYDWOTIFNFTOMR-NSHDSACASA-N 236.315 2.948 30 20 BFED CC#CCCCC(=O)N1C[C@@H](C)C[C@@H]1CC 466642586 NOWHIHQNZAAAAE-STQMWFEESA-N 221.344 2.827 30 20 BFED C=C[C@H]1CCCCN1CCCSCC#N 489460473 VBCMNQFEPDEUNX-LBPRGKRZSA-N 224.373 2.674 30 20 BFED C#C[C@H](C)N(C)C(=O)c1ccc2c(c1)CCC=C2 491091992 AJWPOBXSRIGOFE-LBPRGKRZSA-N 239.318 2.740 30 20 BFED C#CCN(Cc1cc(C)nc(Cl)c1)C1CC1 491325794 HCGBLPYVPSREBY-UHFFFAOYSA-N 234.730 2.641 30 20 BFED C#C[C@H](NC(=O)N1CCC[C@@H]1CC)C(C)(C)C 491807818 UTJCDBDAKOEZMT-RYUDHWBXSA-N 236.359 2.618 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@H]1C[C@@H]1C1CC1 512096805 ASMNYCQGKTUWGL-UTUOFQBUSA-N 207.317 2.503 30 20 BFED CCC[C@H](C#N)NC(=O)c1cccc(C2CC2)c1 516191987 OOCDHHQWYCATAK-CQSZACIVSA-N 242.322 2.986 30 20 BFED CC(C)[C@H]1C[C@H]1C(=O)N1CCC(CCC#N)CC1 517150282 JIRMPRBBTMOIQZ-ZIAGYGMSSA-N 248.370 2.821 30 20 BFED C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@]23CCC[C@@H]2C3)C1 519136754 ZHGJLZYKWDGDDT-RJZRQDKASA-N 246.354 2.765 30 20 BFED CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(CC#N)ccn1 532434786 BSLDKYNOJSEAOA-RISCZKNCSA-N 243.310 2.522 30 20 BFED CC[C@H](NC[C@H](C#N)CCC#N)C1CCCC1 561239182 ZVWFOZLVUTVGPK-JSGCOSHPSA-N 233.359 2.988 30 20 BFED CC[C@H]1CCC[C@@H](NC(=O)NCC2(C#N)CC2)C1 562391344 ABUXVNARDMIXFR-NWDGAFQWSA-N 249.358 2.558 30 20 BFED CC#CCN(C)C(=O)[C@H]1CCCCC1(C)C 581016213 MNDGOEHUNSLPEH-GFCCVEGCSA-N 221.344 2.685 30 20 BFED C#C[C@H](C)NC(=O)/C=C(/C)c1cccc(Cl)c1 588501800 GJBOWIXJCSFCKA-IEHMKBBKSA-N 247.725 2.881 30 20 BFED CCC[C@H](NC(=O)CCCC#N)c1ccccn1 589698908 HZYOAEIVOKBNBM-ZDUSSCGKSA-N 245.326 2.733 30 20 BFED C[C@@H](CCc1ccco1)NC[C@@H](C#N)CCC#N 591723067 GYIAHNMJJKLZFY-QWHCGFSZSA-N 245.326 2.634 30 20 BFED Cc1ccccc1[C@@H]1C[C@H]1N=c1ccc(C#N)c[nH]1 593489371 ROQWUIGPYBKJFN-LSDHHAIUSA-N 249.317 2.652 30 20 BFED N#CC[C@@H]1CCCN(CC2CC=CC2)C1 595616934 PQHUELXTSSXMBN-ZDUSSCGKSA-N 204.317 2.578 30 20 BFED CCN(Cc1cnc2ccccc2c1)[C@H](C)C#N 595820653 OODQOBDHBKJUNZ-GFCCVEGCSA-N 239.322 2.969 30 20 BFED CCCN(CC)c1nc(C#N)c(Cl)s1 596148843 NEICDGRTXYPYGR-UHFFFAOYSA-N 229.736 2.904 30 20 BFED C=C(C)CSCc1cc(C)nc(C)n1 596345199 AFHVZKRUJAZVKL-UHFFFAOYSA-N 208.330 2.903 30 20 BFED Cc1nccc(CSCC2(CC#N)CC2)n1 596356364 DWFHKYVSTGHZGK-UHFFFAOYSA-N 233.340 2.712 30 20 BFED C=CCCSCCNC(=O)[C@H](C)C1CCC1 597973520 FMDGVUXPLSDYLK-LLVKDONJSA-N 241.400 2.848 30 20 BFED C[C@@H](C(=O)N(C1CC1)[C@H](C)C#N)C1CCCC1 598130831 HVHCLWFEDLQYFV-GHMZBOCLSA-N 234.343 2.716 30 20 BFED C[C@@H](C#N)N(C(=O)CCCC(F)(F)F)C1CC1 598132436 JDJWBHDRDSWSOK-QMMMGPOBSA-N 248.248 2.622 30 20 BFED CC[C@@H](C#N)N(C)C(=O)c1sc(C)cc1C 602355938 VGGNTVLZUMWLIJ-JTQLQIEISA-N 236.340 2.739 30 20 BFED CC[C@@H]1C[C@@H](C)CN1Cc1cccc(C#N)n1 602476194 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C=CC[C@H]1CC[C@H](NCc2ccccn2)C1 651749484 YBRQRVTZSDGQFZ-STQMWFEESA-N 216.328 2.916 30 20 BFED C=CC[C@H]1CCCN(CCc2ccncc2)C1 661378254 BGJPDJNWGGODQP-HNNXBMFYSA-N 230.355 2.912 30 20 BFED C=CC[C@H]1CCCN(Cc2nccn2CC)C1 661380218 LAVCCHRBIZVWRT-ZDUSSCGKSA-N 233.359 2.691 30 20 BFED COCC#CCN1CCC[C@@H]1c1ccsc1 677817308 NXTBPRSDUQYFAT-CYBMUJFWSA-N 235.352 2.535 30 20 BFED CS[C@@H]1CCC[C@H](NCC2(C#N)CC2)C1 691635496 UGZCJFNJPKGUGL-WDEREUQCSA-N 224.373 2.554 30 20 BFED C#CCN[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 718016668 HULOKBNOVDXRGP-HUUCEWRRSA-N 243.350 2.593 30 20 BFED CC(C)[C@@H](C)C(=O)OCc1cccc(C#N)c1 733576601 PJEABNDHRXHBOU-LLVKDONJSA-N 231.295 2.894 30 20 BFED C#CCNC(=O)N[C@@H](CCCCC)C(C)(C)C 734518412 ZTNDIOAUHIGNGI-LBPRGKRZSA-N 238.375 2.914 30 20 BFED C#CCOCCN[C@@H]1CCC[C@H]1CCC(C)C 753767729 LXEKVDFYVAVPOI-LSDHHAIUSA-N 237.387 2.831 30 20 BFED CCON=Cc1cccn1CCC(C)C 755628205 PUXYZKYPAWZOEV-UHFFFAOYSA-N 208.305 2.905 30 20 BFED CC(C)(C=NNC1CCCC1)CCC#N 755689931 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2.617 30 20 BFED C=CCCCOC(=O)c1ocnc1C1CC1 808678856 XDFWAJOXJGXBQG-UHFFFAOYSA-N 221.256 2.675 30 20 BFED C=CCCCCCOC(=O)c1cccc(C#N)n1 811250534 QYGABCUPOHXMHG-UHFFFAOYSA-N 244.294 2.856 30 20 BFED CC(C)(C#N)CCOC(=O)c1conc1C1CC1 811316726 NUAOOPYOVPFRID-UHFFFAOYSA-N 248.282 2.649 30 20 BFED C(=NOCC1CC1)C1Cc2ccccc2C1 814244258 KZCGSYIROHAZGG-UHFFFAOYSA-N 215.296 2.814 30 20 BFED C=C[C@H](O)C(=O)OCCC1C[C@H](C)C[C@@H](C)C1 814547649 DSTHIGUVZRJNJT-WZRBSPASSA-N 240.343 2.539 30 20 BFED Cc1cc2c(cc1C)C(=NOCC(F)F)CO2 814903917 HYSUAKKDUKNPJA-UHFFFAOYSA-N 241.237 2.682 30 20 BFED Cn1ccnc1NN=C1CC(c2ccccc2)C1 814918445 QLFIXJZSQVCNMA-UHFFFAOYSA-N 240.310 2.766 30 20 BFED Cn1ccnc1NN=C1CCCc2sccc21 814919531 UVRCXUFAMMTZSI-UHFFFAOYSA-N 246.339 2.634 30 20 BFED C=CCC(F)(F)C(=O)NCC1(C(C)C)CC1 815771034 KLCSEAQPWMHATB-UHFFFAOYSA-N 231.286 2.750 30 20 BFED C[C@@H](C#N)OCCNc1ccccc1C(F)F 819078844 LTWTUZLUCDEMEN-VIFPVBQESA-N 240.253 2.965 30 20 BFED C#CCCCCCOC(=O)C[C@@H](C)n1cccn1 820534901 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219.328 2.911 30 20 BFED C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](C#N)C1 913856192 BBQHLZHWLCWPRQ-AGIUHOORSA-N 249.358 2.510 30 20 BFED CCOc1ccccc1C=NNCC(C)C 916366165 QJPNTPLBAUWFHY-UHFFFAOYSA-N 220.316 2.665 30 20 BFED CCCc1ccc(C(=O)O[C@@H](C)C#N)cc1 920686011 YMJWIRYSMCEFDH-JTQLQIEISA-N 217.268 2.708 30 20 BFED C#CCCCCN[C@H](C)c1cccc2c1OCO2 925526927 NDJSORRFCDPHLA-GFCCVEGCSA-N 245.322 2.869 30 20 BFED N#CC1(CCCCN(C2CC2)C2COC2)CCC1 930594663 KOCRENFSTWGDFB-UHFFFAOYSA-N 248.370 2.714 30 20 BFED C=C[C@H](CC)CC(=O)N1CCOC(C)(C)[C@H]1C 934831906 METPVOPYYCMVJQ-VXGBXAGGSA-N 239.359 2.615 30 20 BFED C=CCCCC[C@@H](C)N[C@H](C=C)COC 1117784161 DXXLXQHKTGWVJI-CHWSQXEVSA-N 211.349 2.912 30 20 BFED C=CC(C)(C)CNC(=O)[C@H]1CC12CCC2 1117825815 GKTSTTMDBPOSSO-SNVBAGLBSA-N 207.317 2.505 30 20 BFED C#C[C@@H](NCC1(O)CCC1)c1ccc(Cl)cc1 1120496737 JAXNSBVORJEQJJ-CYBMUJFWSA-N 249.741 2.519 30 20 BFED C=CCC[C@H]1CCCN1C(=O)c1nccs1 1120732968 CDKYLZGUBXNAOP-JTQLQIEISA-N 236.340 2.714 30 20 BFED 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30 20 BFED C#Cc1cccc(N(CC)C(=O)/C=C\OCC)c1 492964759 ULGIJHYHDSKRFA-KHPPLWFESA-N 243.306 2.571 30 20 BFED C=CCCCNC[C@@H](O)[C@H](C)c1ccccc1 519143465 XTWSJNWAFOVCMB-UKRRQHHQSA-N 233.355 2.707 30 20 BFED N#CCC[C@H](C#N)CNc1cccc(CC#N)c1 566615988 HZJSZBVUNVWFQQ-CYBMUJFWSA-N 238.294 2.608 30 20 BFED CCCN(C(=O)c1sccc1C#N)C(C)C 573134994 ZOTKKZINCNYQDB-UHFFFAOYSA-N 236.340 2.880 30 20 BFED C=CCCCCN1CC[C@H](Cc2cnn(C)c2)C1 575321180 WRSUTYPSNRIUGG-CQSZACIVSA-N 247.386 2.641 30 20 BFED C=C(C)CSCc1nc(C2CC2)nn1C 578237440 NIYGJRIZUGHNGJ-UHFFFAOYSA-N 223.345 2.502 30 20 BFED CC(C)(C)[C@@H]1CCCN(c2cncc(C#N)n2)C1 581004987 SDHVZGQAKIAYSC-LLVKDONJSA-N 244.342 2.611 30 20 BFED COc1cnc(O)cc1-c1cc(C)ccc1C#N 584907502 FZJSXODKDDHYDI-UHFFFAOYSA-N 240.262 2.643 30 20 BFED CC#CCN(C)c1nc(C(C)(C)C)ccc1C#N 590150530 CJAYDKFEWKHDAP-UHFFFAOYSA-N 241.338 2.710 30 20 BFED C[C@@]1(C#N)CCCN(CC2=CCCC2)C1 592101941 UWWNDOADMSQSMX-ZDUSSCGKSA-N 204.317 2.722 30 20 BFED CC[C@@H](C#N)N(C)C(=O)c1c(C)cccc1C 594089978 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242.322 2.874 30 20 BFED C=C(C)C(C)(C)C(=O)N1CCC2(CC1)CC2 644633282 PWPRHBFNNVBTRN-UHFFFAOYSA-N 221.344 2.991 30 20 BFED C=CCCNC(=O)N[C@H]1CCc2ccc(C)cc21 660605484 UHQLBXBSELXDCN-AWEZNQCLSA-N 244.338 2.858 30 20 BFED C=CC[C@H]1CCCN(Cc2cscn2)C1 661379099 STWJYPMKZUPHSG-NSHDSACASA-N 222.357 2.931 30 20 BFED C=CCCCCCN(C)Cc1cnc(C)n1C 667650421 XDLHDQAKOCVHLC-UHFFFAOYSA-N 235.375 2.907 30 20 BFED C=CC[C@@H](C)NC(=O)[C@@H](C)c1nc(C)cs1 668854949 QTUVICPMESFZTA-PSASIEDQSA-N 238.356 2.636 30 20 BFED C=CCCCCCN(C)Cc1cn[nH]c1 678271379 UMZHXHLMKMIAQB-UHFFFAOYSA-N 207.321 2.588 30 20 BFED CCC#C[C@H](C)N1CCC[C@H](OCC2CC2)C1 681697090 VOGGXLVLYJRDPJ-ZFWWWQNUSA-N 235.371 2.679 30 20 BFED C#Cc1cccc(NC(=S)N2CCCCC2)c1 726434676 RDOCQEWGJKRJEA-UHFFFAOYSA-N 244.363 2.851 30 20 BFED C=CCCC(=O)OCc1ccccc1F 726495575 QXANURLAATWXBZ-UHFFFAOYSA-N 208.232 2.835 30 20 BFED C[C@H](CC#N)OC(=O)c1nccc2ccccc12 733709778 NXENRLSCCBGJIE-SNVBAGLBSA-N 240.262 2.694 30 20 BFED C=CCCO[C@H](C)C(=O)NC[C@@H](C)C(C)(C)C 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C#CCCN1CC[C@@H](Cc2ccccc2)[C@H]1C 760844766 WGCVQAANJFHFTN-ZBFHGGJFSA-N 227.351 2.963 30 20 BFED C#CCN(C(=O)/C=C(/C)C(C)(C)C)C1CC1 763799041 HBMYVNQTJLMRJY-KHPPLWFESA-N 219.328 2.603 30 20 BFED Cc1ccc(C=NN=c2cc[nH]cc2)cc1Cl 766454729 LAGCLKBXVINVKS-UHFFFAOYSA-N 245.713 2.911 30 20 BFED O=C1/C(=C\c2cncs2)Oc2ccc(F)cc21 767727799 CGNSTETWEHMWGG-NYYWCZLTSA-N 247.250 2.898 30 20 BFED CS/C=C/C(=O)Nc1cccc(C#N)c1C 770334638 WFLKWPYAFWNJJW-VOTSOKGWSA-N 232.308 2.682 30 20 BFED CCC(=NNC[C@@H](C)C#N)c1cccs1 771101302 YBASZVMOWMOGJZ-VIFPVBQESA-N 221.329 2.611 30 20 BFED C#CCCCCc1nc(-c2ccc(C)o2)no1 771186527 DPPLPJJZQPEVAW-UHFFFAOYSA-N 230.267 2.984 30 20 BFED C=Cn1cc(C=NNc2c(C)cccc2F)cn1 773072415 FYRMCYIDVQAWSR-UHFFFAOYSA-N 244.273 2.877 30 20 BFED CC(CCN(C)C)=NOC1CCCCC1 777457640 ZTEUYRURPHZGGI-UHFFFAOYSA-N 212.337 2.663 30 20 BFED CC(=NNc1cccc(F)c1)c1cnn(C)c1C 778540697 SMTVDUFCJLKNGK-UHFFFAOYSA-N 246.289 2.704 30 20 BFED CCC(C)=NNc1cccc(C(=O)OC)c1 779828061 RGBJRVPMLQXJLE-UHFFFAOYSA-N 220.272 2.671 30 20 BFED C#CCCCCCC(=O)N(CC(F)F)C1CC1 779920440 JAFLOBVJUOVWQY-UHFFFAOYSA-N 243.297 2.826 30 20 BFED C=C[C@](C)(CC)C(=O)N1CCc2ncccc21 785415058 DLHQECSFUDICED-CQSZACIVSA-N 230.311 2.573 30 20 BFED C=C[C@@](C)(CC)C(=O)NOC1CCCCC1 785599085 UFIOXDRDODWYDG-ZDUSSCGKSA-N 225.332 2.969 30 20 BFED C=C(CC)COC(=O)/C=C\c1cncc(F)c1 785849268 CZVGRWSLZOPEAT-PLNGDYQASA-N 235.258 2.743 30 20 BFED c1ccc([C@@H]2CCC2=NOC[C@@H]2CCOC2)cc1 788028923 CNBKCIAHTYDBDC-OCCSQVGLSA-N 245.322 2.973 30 20 BFED CC1=CC(=NOC[C@H]2CCOC2)CCC1 788032916 YCUHSFSMIRAKRD-NSHDSACASA-N 209.289 2.526 30 20 BFED CC(=NN[C@@H]1CCCC1(C)C)c1cc(C)on1 790298060 HGGJTENEKZEWKO-GFCCVEGCSA-N 235.331 2.875 30 20 BFED COCCN(C)N=C[C@H](c1ccccc1)C(C)C 794963730 HTJWWYUWDYMPRH-HNNXBMFYSA-N 248.370 2.990 30 20 BFED CC1(C)CCC1=NNc1ncccc1F 794980375 ABBDSDDGDQHGAI-UHFFFAOYSA-N 207.252 2.809 30 20 BFED Fc1cccc(NN=C2CC(C(F)F)C2)n1 795008900 SCTFHRHZERENQT-UHFFFAOYSA-N 229.205 2.664 30 20 BFED C=CCOC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 796443719 JAVCGLUGQVDVFD-UHFFFAOYSA-N 249.266 2.602 30 20 BFED C=CCOCCOC(=O)[C@H]1CCCC(C)(C)C1 797312518 ZXRVZZJMOVXXMW-LBPRGKRZSA-N 240.343 2.949 30 20 BFED Cc1oc(C#N)cc1C(=O)O[C@H](C)C(C)(C)C#N 797957476 PAGKGTONTKYYMG-SECBINFHSA-N 246.266 2.555 30 20 BFED Cc1cccc(C(=O)/C=C/c2cn(C)cn2)c1 800792586 VAOWPHWTIWRVEG-VOTSOKGWSA-N 226.279 2.625 30 20 BFED CC#CC(=O)N[C@H](CCC(C)C)C(C)(C)C 801158665 WLEGYYLTHOKXRI-GFCCVEGCSA-N 223.360 2.977 30 20 BFED C[C@@H]1CC[C@H](C(=O)OCCCSCC#N)C1 805523256 LQWOUIANDHWBKY-MNOVXSKESA-N 241.356 2.613 30 20 BFED C=CC[C@@H](CC)NC(=O)N(CC(C)(C)C)OC 807203948 TUXCMXCVMGTCSE-LLVKDONJSA-N 242.363 2.960 30 20 BFED O=C(/C=C/c1cnccn1)c1c[nH]c2ccccc12 809154936 JZEBZGSMLLRMLO-AATRIKPKSA-N 249.273 2.854 30 20 BFED C#CCCCC(=O)Oc1ccc2c(c1)CCCO2 810995079 WXDPSVFHIYFCOO-UHFFFAOYSA-N 244.290 2.721 30 20 BFED C=CCCCCOC(=O)COc1ccccc1 811013947 MXXGNJAPLDDLGE-UHFFFAOYSA-N 234.295 2.965 30 20 BFED CC(=NOC/C=C\Cl)[C@@H]1CCCOC1 811668764 SWUGWXXTZRLDQX-AJHADURDSA-N 217.696 2.558 30 20 BFED C=CC1CCN(C(=O)NOC[C@@H](C)CC)CC1 813827907 YGKOXDUBITZVSM-NSHDSACASA-N 240.347 2.572 30 20 BFED COCCON=C1CC[C@@H](c2ccccc2)C1 814864746 HRWGGWAWRZLFNJ-CYBMUJFWSA-N 233.311 2.973 30 20 BFED CC(=NOCCOC(C)C)c1ccccc1C#N 814936717 GYKFVGQMPUBUKU-UHFFFAOYSA-N 246.310 2.724 30 20 BFED Cc1cc(C#N)cnc1C(=O)OCCCC(C)C 815337920 GHMDHZRIGPOXQC-UHFFFAOYSA-N 246.310 2.855 30 20 BFED CCCCC[C@@H](C)NC(=O)c1ccc(C#N)n1C 822394429 QMKHQNILUCDWOO-LLVKDONJSA-N 247.342 2.595 30 20 BFED C#CCCc1noc([C@@]2(C)CC=CCC2)n1 834585217 JKCQPABWFRCRAH-ZDUSSCGKSA-N 216.284 2.633 30 20 BFED CCCCCC[C@H](C)NN=C1CCn2ccnc21 834960377 NVEOZUAFDOTVPC-LBPRGKRZSA-N 248.374 2.939 30 20 BFED C=CCON=Cc1cccc(OCCCC#N)c1 835015491 JJJYPTGLLNSJFW-UHFFFAOYSA-N 244.294 2.906 30 20 BFED CC(=NN[C@@H]1CCOC1(C)C)c1ccc(C)cc1 835016533 ZSFZUYQXUPAXNV-CQSZACIVSA-N 246.354 2.876 30 20 BFED C#CCCNC(=O)N[C@@H](C)[C@H]1CCC[C@H](C)C1 836301634 PQOBISGWABXARB-AVGNSLFASA-N 236.359 2.524 30 20 BFED C#CCC[C@@H](C)OC(=O)C1CCCCC1 839031178 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238.375 2.956 30 20 BFED C=C(C)CNC(=S)N1CCC[C@H](C)CC1 745035563 LOXUNTWRSUEEKB-NSHDSACASA-N 226.389 2.559 30 20 BFED C(=NNc1cnccn1)c1coc2ccccc12 746563568 CMSSRYPXOHMGMC-UHFFFAOYSA-N 238.250 2.669 30 20 BFED CC(C)CON=Cc1cc(F)c(O)c(F)c1 749636374 GFYVPHBJUAJHDA-UHFFFAOYSA-N 229.226 2.677 30 20 BFED C#CC(=O)N[C@@H](c1ccccc1F)C1CCCC1 754072090 WSRKTEXIXQQNQR-OAHLLOKOSA-N 245.297 2.806 30 20 BFED CCCCON=Cc1cccc(OC)c1OC 754275367 AXNJLJMZUJVJLJ-UHFFFAOYSA-N 237.299 2.854 30 20 BFED C=CCCCOC(=O)Cc1ccc(C)o1 754338065 GYMZSQDLDHJUQS-UHFFFAOYSA-N 208.257 2.640 30 20 BFED Clc1oc2ccccc2c1C=Nn1cnnc1 761253301 YNTBRRDCDVXDMF-UHFFFAOYSA-N 246.657 2.560 30 20 BFED COCCON=C1C[C@@H]2CCCc3cccc1c32 763357875 KAQRMCAZAKRQBE-LBPRGKRZSA-N 245.322 2.877 30 20 BFED C#CCCOc1ccc(C(=O)OC)c(Cl)c1 768808873 IIGAPKVJQRURBX-UHFFFAOYSA-N 238.670 2.529 30 20 BFED CCCOc1cccc(C=NNC[C@@H](C)C#N)c1 771104594 UDLMRIKAOSKCRB-LBPRGKRZSA-N 245.326 2.559 30 20 BFED CCOCCON=Cc1ccccc1C1CC1 774414370 GVHJLRBSJCXAOB-UHFFFAOYSA-N 233.311 2.951 30 20 BFED C(=NOC1CCOCC1)[C@@H]1C[C@H]1c1ccccc1 774431220 JRLIYEWGKWOJGF-ZFWWWQNUSA-N 245.322 2.972 30 20 BFED C#CC[C@@H](NCCCOCC)c1ccccc1 775398736 APQULSHVEMYNQK-OAHLLOKOSA-N 231.339 2.767 30 20 BFED C#CCCOC(=O)c1cccc2ccc(C)nc12 775531251 RUBZIPBXPYJDOA-UHFFFAOYSA-N 239.274 2.723 30 20 BFED CC(C)OCCNN=C1CCC(C)(C)CC1 778554137 MOKLNIVKVDZCEW-UHFFFAOYSA-N 226.364 2.957 30 20 BFED C#CCCCCCC(=O)NCCc1ccccc1 779704638 UEODERJCMCTEJE-UHFFFAOYSA-N 243.350 2.929 30 20 BFED O=C(NO)C1(c2c(Cl)cccc2Cl)CC1 782171899 QSOBYBDUJGLLRD-UHFFFAOYSA-N 246.093 2.530 30 20 BFED N#Cc1cccc(C(=O)OCCC2CCC2)c1 783447848 RDHTVZMEUYFLQY-UHFFFAOYSA-N 229.279 2.905 30 20 BFED CC(=NOCc1ccccc1)[C@H]1CCCO1 783820382 FUQHPJPWFPVFMQ-CYBMUJFWSA-N 219.284 2.758 30 20 BFED C=C[C@@H]1CCCCN1C[C@@H](O)c1ccccc1 785996171 BNLLHZZVOHYYMI-HUUCEWRRSA-N 231.339 2.761 30 20 BFED CC(=NN[C@@H]1CCOC1)c1csc(Cl)c1 788448730 UXGGGCZJJLDBJX-SECBINFHSA-N 244.747 2.504 30 20 BFED C=C(C)COCCNC[C@H]1CCc2ccccc21 790057202 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CC[C@@H]1CCC[C@H]1C(=O)OCC1(C#N)CC1 835414477 FPZAUTKDUJSBCI-GHMZBOCLSA-N 221.300 2.660 30 20 BFED C=CC(C)(C)COC(=O)CSC(C)C 835726331 PGWTYTQBHVQDPJ-UHFFFAOYSA-N 216.346 2.883 30 20 BFED C=CCC1(NC(=O)/C=C/C)CCCCC1 836964435 XMQQDSWHQYKHSO-FPYGCLRLSA-N 207.317 2.958 30 20 BFED C=CCONC(=O)NC[C@@H]1CCCC[C@H]1CC 838712900 FQZSXZJTAUSPTD-NEPJUHHUSA-N 240.347 2.620 30 20 BFED CCCCC[C@H](CC)C(=O)N(C)[C@@H](C)C#N 839368168 WWBAQTIWDWKWOD-RYUDHWBXSA-N 224.348 2.963 30 20 BFED C=CC[C@H](Cc1ccccc1)NC(=O)/C=C/C 840537262 FNUJRXMYRILCOV-CEOUIICOSA-N 229.323 2.866 30 20 BFED CCc1ncc(C=NN[C@H]2CCCC2(C)C)cn1 841635756 PGIABRWHQVBCDZ-LBPRGKRZSA-N 246.358 2.541 30 20 BFED CCC(=NN[C@@H]1CCOC1(C)C)[C@H]1C[C@H]1C 841641131 NZXNKLDBXFMGDH-JFGNBEQYSA-N 224.348 2.566 30 20 BFED CC(CCc1ccc(C)cc1)=NN(C)C[C@H](C)O 841653732 RKDQJLDBNMCYDB-AWEZNQCLSA-N 248.370 2.616 30 20 BFED C#C[C@H](OC(=O)CSC1CC1)c1ccccc1 842364571 YNZHCFZQSYYCHI-ZDUSSCGKSA-N 246.331 2.800 30 20 BFED CC(CCCC(C)C)=NN(C)[C@@H](C)CO 842542453 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2.822 30 20 BFED CCC(CC)(CC)C(=O)N1CCC[C@@H](C#N)C1 928222372 VUUDMRNFLMEOLD-LBPRGKRZSA-N 236.359 2.965 30 20 BFED CN(C)c1ncccc1/C=C\C(=O)c1ccco1 1117351490 SFLIVGPTRBHCDA-FPLPWBNLSA-N 242.278 2.637 30 20 BFED CC(C)(C#N)Cc1nnc(-c2ccccc2F)o1 1118363237 YFBGJDOVIPMICD-UHFFFAOYSA-N 245.257 2.968 30 20 BFED C[C@H]1CCCC[C@@H]1COC(=O)c1cc(C#N)c[nH]1 1118391463 NZLULRYVLSXWJP-CMPLNLGQSA-N 246.310 2.869 30 20 BFED N#Cc1ccsc1NC(=O)NC/C=C/C1CC1 1119911951 SFYWQPRICIHYRC-OWOJBTEDSA-N 247.323 2.707 30 20 BFED C=C(CC)C(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 1123500828 GHHRPGTXVDFHAJ-CMPLNLGQSA-N 233.311 2.985 30 20 BFED C=C(CC)C(=O)NCC[C@H](OCC)C(C)C 1123732124 QMVWYWHQNBRWTC-LBPRGKRZSA-N 227.348 2.520 30 20 BFED C#CCN(CC1CC1)C(=O)C1C[C@H](C)C[C@@H](C)C1 1320203741 WQRQQSPYEACZDE-CHWSQXEVSA-N 247.382 2.931 30 20 BFED C=C(C)CON=Cc1ccc(F)c(OC)c1 1326445617 CVOOKRGVFSORAW-UHFFFAOYSA-N 223.247 2.761 30 20 BFED N#CC1(CNc2cc(C(F)F)ncn2)CCC1 1335050649 IMLHPYIPDVERTH-UHFFFAOYSA-N 238.241 2.520 30 20 BFED 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2.785 30 20 BFED CC(=O)C(C)=NOCCCOCc1ccccc1 902761214 XAJBNWVHTYJOAF-UHFFFAOYSA-N 249.310 2.575 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1c(C)n[nH]c1C 910065799 WDXBEAABAWQZHQ-VIFPVBQESA-N 249.358 2.806 30 20 BFED C=CCNC(=S)NCC(C)(C)c1ccccc1 914702311 GLASNEOZVJXMPD-UHFFFAOYSA-N 248.395 2.614 30 20 BFED CC1=C(C)C[C@H](C(=O)N2CCC[C@@H](C#N)C2)CC1 928214353 LRWGHGUXQBIVLY-UONOGXRCSA-N 246.354 2.885 30 20 BFED C=CCSCCNC(=O)CCC1(C)CC1 930982350 GVQYVOQYDHUCFV-UHFFFAOYSA-N 227.373 2.602 30 20 BFED CC1(C)C[C@@H]1CNC(=O)Nc1sccc1C#N 931846460 KVEUNTATQIWOFX-SECBINFHSA-N 249.339 2.787 30 20 BFED CC1(CCC(=O)N[C@@H](C#N)C(C)(C)C)CC1 934233121 DWAJGFQZXZIUOE-JTQLQIEISA-N 222.332 2.621 30 20 BFED C=C[C@@H](CC)CC(=O)N1CC[C@@H]1C(C)C 935249592 CEPPUPSKUVYOCV-NWDGAFQWSA-N 209.333 2.846 30 20 BFED C=CC[C@H](CC)NC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 935799582 NAGOGAHKLCWURY-IIEFLBBWSA-N 233.355 2.749 30 20 BFED Cc1cc(CN(C2CC2)[C@H](C)C#N)cs1 1118562459 DWPGXDVOAPBCLC-SECBINFHSA-N 220.341 2.933 30 20 BFED CC[C@H](C#N)N(CC)C(=O)/C=C1/CC[C@H](C)C1 1121253266 OUQASIASUCXVSC-FTNLVMBUSA-N 234.343 2.883 30 20 BFED C=C[C@H](COC)Nc1cc(C)ccc1[N+](=O)[O-] 1255014395 XMPQWGMHJJVZLS-SNVBAGLBSA-N 236.271 2.516 30 20 BFED C=C(CC(C)C)C(=O)N[C@@H]1CC=CCC1 1263735474 OVCNALDNZSAZJR-GFCCVEGCSA-N 207.317 2.814 30 20 BFED Cc1ccc(Sc2cc(C#N)cnn2)s1 1307141869 NBJQSHVUWWBRRH-UHFFFAOYSA-N 233.321 2.869 30 20 BFED C#CCN(Cc1ccc(C)cc1)CC1CC1 1324382893 QTIHQIYATPMHLA-UHFFFAOYSA-N 213.324 2.840 30 20 BFED C=C[C@H](COC)N[C@H](C)[C@H]1CCCC[C@@H]1C 1324550398 GCFGRNSKFXCHTM-DGAVXFQQSA-N 225.376 2.992 30 20 BFED C=C(C)CCNCc1cccc(C(=O)OC)c1 1324660944 CIBYZCKSJDXTHK-UHFFFAOYSA-N 233.311 2.529 30 20 BFED Cc1nc(C(=O)O[C@H](C)CC(C)C)ccc1C#N 1324953826 OGXCHHYBNANAKT-SNVBAGLBSA-N 246.310 2.853 30 20 BFED C#CCN(CC=C(Cl)Cl)CC1CC1 1330560832 YZMJOCWZMCNJRK-UHFFFAOYSA-N 218.127 2.651 30 20 BFED C[C@H]1CCCC[C@H]1COC(=O)c1c[nH]c(C#N)c1 1333228313 PUVLVJMEWFJZDV-QWRGUYRKSA-N 246.310 2.869 30 20 BFED 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N#Cc1ccc(NC[C@H]2CCCCO2)cc1 35151492 BZLSJYXZKJXKHX-CYBMUJFWSA-N 216.284 2.539 30 20 BFED Cc1ccc(C(=O)N(C)C[C@@H](C)C#N)c(C)c1 42460549 SSBHNMLYSMGNOM-NSHDSACASA-N 230.311 2.535 30 20 BFED C=CCNC(=O)Nc1cccc2c1CCCC2 43316870 WGEXPONUFLRLKO-UHFFFAOYSA-N 230.311 2.873 30 20 BFED N#CCCNC(=O)c1cccc(Cl)c1Cl 48151667 MJUQTQCMQKCTOF-UHFFFAOYSA-N 243.093 2.637 30 20 BFED C=CCCO[C@@H](C)C(=O)NC(C)(C)CCC 50496869 LPXSKXBYTLFEBX-NSHDSACASA-N 227.348 2.663 30 20 BFED CCC[C@H](C#N)NC(=O)c1ccc(Cl)s1 51171930 YTJZHYVJZQJIKU-SSDOTTSWSA-N 242.731 2.824 30 20 BFED CC[C@@H](C#N)Nc1ccc(OC)cc1C 61567057 AYZAVRVWZMZOKN-JTQLQIEISA-N 204.273 2.718 30 20 BFED Cc1ccccc1OCCCN(C)C[C@H](C)C#N 65536642 HMYMHAKXOKHEAV-CYBMUJFWSA-N 246.354 2.855 30 20 BFED Cc1nc(C)c(C#N)c(SCC(F)(F)F)n1 74251617 XHHVWHQZPCOUNF-UHFFFAOYSA-N 247.245 2.620 30 20 BFED C=CCNc1cc(Cl)nc(C2CC2)n1 82509644 AGBJORUCEKBGFD-UHFFFAOYSA-N 209.680 2.605 30 20 BFED N#Cc1cc(F)ccc1N[C@@H]1CCCC[C@@H]1CN 89108337 GWDNFDLURVUELH-ZWNOBZJWSA-N 247.317 2.627 30 20 BFED CCCCCCCCCC(=O)NCC#N 111325216 SQQSAKPBVBFLFA-UHFFFAOYSA-N 210.321 2.767 30 20 BFED C=CC[C@H](C)NC(=O)c1ccc(C)cc1 116863706 WZABGNQIEGISCX-NSHDSACASA-N 203.285 2.689 30 20 BFED C=CCC[C@H](NC[C@@H](C)N(C)C1CC1)C1CC1 121018806 RHAVMTHGICTPDK-DOMZBBRYSA-N 236.403 2.804 30 20 BFED Cc1cc([N+](=O)[O-])ccc1OCC1(CC#N)CC1 123121155 YNGTTZWWFYYBRQ-UHFFFAOYSA-N 246.266 2.976 30 20 BFED C=C(Cl)CNC(=O)c1ccc(Cl)cc1 124602860 HWBPASJLMOQACR-UHFFFAOYSA-N 230.094 2.822 30 20 BFED C=CCOC(=O)c1csc(Br)c1 127220229 GNWFCQQKXYDUKS-UHFFFAOYSA-N 247.113 2.853 30 20 BFED CCCN(C)Cc1ccc(O[C@H](C)C#N)cc1 127539622 NJVVCQKPJXEHCD-GFCCVEGCSA-N 232.327 2.819 30 20 BFED C[C@H]1CC[C@H](CNc2ccc(C#N)cc2F)O1 128563744 ATKYVDDQQNNUPA-GXSJLCMTSA-N 234.274 2.677 30 20 BFED C=CCCS(=O)(=O)NC1CCCCCCC1 129287496 TUGZWEGQJMYLPY-UHFFFAOYSA-N 245.388 2.595 30 20 BFED C#Cc1cccc(N(C)Cc2ccncc2)c1 130364616 WGVKDKMJDAPZBE-UHFFFAOYSA-N 222.291 2.699 30 20 BFED C#CCOC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 130808234 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245.282 2.701 30 20 BFED CC#CCCNC(=O)C[C@@H](C)CC(C)(C)C 164591355 YBVLTVTZXZLUSZ-GFCCVEGCSA-N 223.360 2.978 30 20 BFED CC#CCSCc1nc(CCCC)no1 166627808 DVDIPHZZEMDZMM-UHFFFAOYSA-N 224.329 2.669 30 20 BFED C=CC1CCN(CCc2cccnc2)CC1 172164971 BYMYLBWIXFHGLW-UHFFFAOYSA-N 216.328 2.522 30 20 BFED C=CCNC(=O)[C@H](c1ccccc1)C(C)C 173034965 PTRWRMVFLUELEZ-ZDUSSCGKSA-N 217.312 2.728 30 20 BFED C#CCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1C 173319509 JPHXRFPHRVKESK-QWHCGFSZSA-N 236.359 2.620 30 20 BFED C#CCCCNC(=O)N[C@H](C)CCC(C)(C)C 174096545 HIYMTVKCFPFRJB-GFCCVEGCSA-N 238.375 2.914 30 20 BFED N#CC1(NC(=O)CCC2CCC2)CCCCC1 176316974 AJHBQWKWGRMAIS-UHFFFAOYSA-N 234.343 2.909 30 20 BFED C=C(C)CSCc1noc(C2CC2)n1 177867250 HKEVGLSYDAZGHQ-UHFFFAOYSA-N 210.302 2.756 30 20 BFED C=C(C)CN(CC)c1nc2ccccc2n1C 179281706 JKFUYOBTLKXRMX-UHFFFAOYSA-N 229.327 2.976 30 20 BFED C#CCCCCC(=O)Nc1ccccc1O 179803160 LSELOVZHSOZSKL-UHFFFAOYSA-N 217.268 2.524 30 20 BFED Cc1c(C#N)cccc1NCC1=CCCOC1 181456814 WTNPZJWTKXQGJE-UHFFFAOYSA-N 228.295 2.625 30 20 BFED C=CCCC[C@H](C)NC(=O)CC[C@H](C)OC 181944066 RYVHLTLZHXTPNO-RYUDHWBXSA-N 227.348 2.663 30 20 BFED CC#CCCCC(=O)NCCCC(C)C 185063926 POUSBNZRHPEUJH-UHFFFAOYSA-N 209.333 2.732 30 20 BFED C#CCCCCC(=O)N1CC[C@@H](C)[C@@H]1CC 185354139 GKBGWBGGUWAZKT-OLZOCXBDSA-N 221.344 2.827 30 20 BFED C=CCOCCCC(=O)N1CC[C@H](C)[C@@H]1CC 185454180 DGWJUGVYNLOYNL-STQMWFEESA-N 239.359 2.616 30 20 BFED COCCC(C)(C)CN[C@@H]1CCC[C@H](C#N)C1 185899462 OWTBRSLEQSXEHX-QWHCGFSZSA-N 238.375 2.721 30 20 BFED C#CCOc1ccccc1NC(=O)C1CCCC1 187180021 MQLOFVUQOSZJFE-UHFFFAOYSA-N 243.306 2.827 30 20 BFED C=C[C@](C)(CC)C(=O)NC[C@H](O)CC(C)(C)C 188518130 JULRKXIAYSAHJL-BXUZGUMPSA-N 241.375 2.502 30 20 BFED C=C[C@@](C)(CC)C(=O)Nc1ccc(C)cn1 190119203 RYLHUDASHVKSCO-ZDUSSCGKSA-N 218.300 2.931 30 20 BFED Cc1ccc(CO/N=C(\N)C(C)C)cc1C 191517702 APAFBUKVFGQFGQ-UHFFFAOYSA-N 220.316 2.748 30 20 BFED C=CCCC[C@@H](C)NC(=O)C(=O)c1ccccc1 194544563 LMWHLORVUWMHNN-GFCCVEGCSA-N 245.322 2.730 30 20 BFED Cc1ccc(C(=O)/C=C\c2csnn2)cc1 209146383 NLHCHLQIXQTEJV-SREVYHEPSA-N 230.292 2.743 30 20 BFED C#CCCCCC(=O)Nc1cc(C(C)(C)C)n[nH]1 223009276 BCKSTRRSZABRRF-UHFFFAOYSA-N 247.342 2.839 30 20 BFED C#C[C@@H](CC)NCc1cc(C)ccc1C 229882197 WNUQUDMYKCPPKM-AWEZNQCLSA-N 201.313 2.805 30 20 BFED CC(C)(C#N)CCCCSCCC(=O)O 232523391 XKXWXPSDJIALEP-UHFFFAOYSA-N 229.345 2.914 30 20 BFED O=C(O)c1cccc(N=Cc2ccccc2O)c1 254705061 MKFCCDWJBYFGJA-UHFFFAOYSA-N 241.246 2.841 30 20 BFED CC1(C)CCC[C@H]1C/N=C(\N)NCC1CCC1 263193182 VZJBRBQIDDZAGV-LBPRGKRZSA-N 237.391 2.517 30 20 BFED C=C1CCN(Cc2ccc3c(c2)CCO3)CC1 264704094 KJGCMAHONRYSAC-UHFFFAOYSA-N 229.323 2.774 30 20 BFED Cc1nc(C(=O)O[C@H]2CC[C@@H](C)C2)ccc1C#N 272297617 GHYWKBKHLJKCNR-SKDRFNHKSA-N 244.294 2.607 30 20 BFED CC(C)(C)[C@](C)(C#N)NC(=O)[C@@H]1CC=CCC1 272382930 FHYIPKLGNPQSCE-RISCZKNCSA-N 234.343 2.787 30 20 BFED CC[C@@H](CC#N)Nc1nc(C)nc2c1CCCC2 273884327 RPYQGUUSLOXZKM-NSHDSACASA-N 244.342 2.768 30 20 BFED C=CCCCCNc1ncnc2c1ncn2CC 274491209 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30 20 BFED C/C=C(/CC)C(=O)Oc1ccc(C#N)cc1F 588572400 ABPVHNCFOCGQDK-KMKOMSMNSA-N 233.242 2.959 30 20 BFED C[C@H](NCC1(C#N)CCC1)c1cccc(C#N)c1 590712589 PJGNBKUYVALQOZ-LBPRGKRZSA-N 239.322 2.903 30 20 BFED CC(C)(CC#N)CN[C@H]1CCCc2cccnc21 590970499 WIRUXEGVJCBOCH-ZDUSSCGKSA-N 243.354 2.988 30 20 BFED N#CCCNC1(c2ccccc2Cl)CC1 592137657 MDMBMGIPEAETFW-UHFFFAOYSA-N 220.703 2.832 30 20 BFED C[C@H](C(=O)Nc1cccc(C#N)n1)C1CCCC1 592661863 RPELBEPPFKRCSR-JTQLQIEISA-N 243.310 2.718 30 20 BFED CC[C@H](C#N)C(=O)Nc1cc(Cl)ccc1O 593542619 JMAHDYGAYWGCLY-SSDOTTSWSA-N 238.674 2.534 30 20 BFED CC[C@H](C#N)N(C)C(=O)c1cc(C)cc(C)c1 594100960 OPCFRZZREMAMSM-CYBMUJFWSA-N 230.311 2.678 30 20 BFED N#Cc1ccc(CCN[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 595537653 FABNISCHQGUYHW-OWCLPIDISA-N 240.350 2.879 30 20 BFED Cc1nc(N2CC[C@H]3C[C@@H]3C2)c(Cl)cc1C#N 596508748 FFOZDWHTLSTGJX-GXSJLCMTSA-N 247.729 2.761 30 20 BFED CO[C@@H](CNc1cnccc1C#N)C1CCCC1 596531804 XIZPCOCWVRZRFG-AWEZNQCLSA-N 245.326 2.570 30 20 BFED Cc1cc(CN2CCC[C@H](CC#N)C2)ccn1 598626048 YJVHFFITLNPRDK-CYBMUJFWSA-N 229.327 2.516 30 20 BFED CC1CC(CNCc2ccc(C#N)s2)C1 598647254 HYERQAJNCYQJEX-UHFFFAOYSA-N 220.341 2.755 30 20 BFED CO[C@](C)(CNc1cccc(CC#N)c1)C1CC1 602681026 IGAVEMXSDQAOGB-OAHLLOKOSA-N 244.338 2.980 30 20 BFED N#C[C@@H]1CC[C@H](NCc2nc3ccccc3o2)C1 602696206 WNZDTDWZAYNXCW-MNOVXSKESA-N 241.294 2.610 30 20 BFED C[C@@H](CC1(C#N)CCOCC1)NCC1CC=CC1 602719754 GKUYJNCOFZGYSV-ZDUSSCGKSA-N 248.370 2.641 30 20 BFED C=CC[C@@H](C)NC(=O)c1cc2ccsc2[nH]1 604880055 NGTKGBILNGQKKU-MRVPVSSYSA-N 234.324 2.924 30 20 BFED CCC[C@H](C#N)NC(=O)[C@@H](C)c1cccc(C)c1 610063010 PUJDBLOAMGWFQB-GXTWGEPZSA-N 244.338 2.907 30 20 BFED C=CCN(C(=O)CC(C)(C)CC)[C@H](C)COC 617580126 QVYIWHGIGSMVLQ-GFCCVEGCSA-N 241.375 2.862 30 20 BFED C=CCCNC(=O)CCc1ccc(C)cc1C 617614069 KMGRRVJHFRPNFN-UHFFFAOYSA-N 231.339 2.928 30 20 BFED C[C@@H](CN1CC[C@@](F)(C#N)C1)C(C)(C)C 619845831 PLYXRTNDYWLSCW-CMPLNLGQSA-N 212.312 2.606 30 20 BFED C=CC[C@@H](CO)CNC[C@H](C)c1ccc(C)cc1 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239.315 2.617 30 20 BFED C#Cc1cccc(CNC(=O)/C=C(\C)C2CC2)c1 837106641 RETMEYLWCXJBOT-FMIVXFBMSA-N 239.318 2.640 30 20 BFED C=CCCC(=O)O[C@@H](C(C)=O)c1ccccc1 837492774 PKMQAHSYAFVJEJ-AWEZNQCLSA-N 232.279 2.826 30 20 BFED C=CCONC(=O)N[C@H](c1ccccc1)C(C)C 838702962 ZZWQXSHHXZLMBS-ZDUSSCGKSA-N 248.326 2.801 30 20 BFED C=C(C)CC/N=C/c1cc([N+](=O)[O-])ccc1O 840705212 CQYFYYPWORRPCX-MDWZMJQESA-N 234.255 2.686 30 20 BFED CCC(CC)(CC)[S@](=O)CCOCCC#N 840873236 QGZHRWIRTXLAPU-MRXNPFEDSA-N 245.388 2.634 30 20 BFED CC(C(=O)NCC1(C#N)CCC1)=C1CCCC1 841467520 SZKZSSZKOMWUIK-UHFFFAOYSA-N 232.327 2.687 30 20 BFED C#CC[C@H](OC(=O)[C@@H](CC(C)C)OC)C(C)C 842316517 UHFJFOSLFNFQOE-QWHCGFSZSA-N 240.343 2.639 30 20 BFED CCCON=C1COc2cccc(Cl)c21 842550267 CFLOGHNOAGVXJF-UHFFFAOYSA-N 225.675 2.863 30 20 BFED C=C[C@@H](C)ONC(=O)Nc1cccc(F)c1C 844550283 JVRKOMQBQMSIST-MRVPVSSYSA-N 238.262 2.762 30 20 BFED C=C[C@H](C)ON=Cc1csc(C2CC2)n1 844623542 HRZAZXLZRJVRCE-QMMMGPOBSA-N 222.313 2.946 30 20 BFED C=C[C@H](C)OC(=O)c1cnc2n1[C@@H](C)CCC2 845521322 AECYPUQPYMPAOF-UWVGGRQHSA-N 234.299 2.512 30 20 BFED C=C(C)CONC(=O)N1CCC[C@@H](CCC)C1 845603128 XTQLPUDZIOARMZ-GFCCVEGCSA-N 240.347 2.716 30 20 BFED C=C[C@H](C)ONC(=O)N[C@@H](C)CCC=C(C)C 845619617 YHWGPKXSPROSGS-RYUDHWBXSA-N 240.347 2.927 30 20 BFED C#CC1CCN(C(=O)/C(C)=C/c2ccco2)CC1 847096482 JYOGRVXEULREDW-VAWYXSNFSA-N 243.306 2.555 30 20 BFED C[C@@H](C#N)OC(=O)c1ccc(C(F)F)cc1F 848805303 RLNVEMKFDNQTQS-LURJTMIESA-N 243.184 2.832 30 20 BFED C=CCC(C)(C)C(=O)OC[C@@H](OC)C1CCC1 849781465 LVJOZEFJCIGWAC-GFCCVEGCSA-N 240.343 2.947 30 20 BFED C=CCCCCC[C@@H](C)NC[C@H](O)CC 850529183 OBVOEWARYZQPJZ-CHWSQXEVSA-N 213.365 2.872 30 20 BFED C=C[C@H](CC)OC(=O)CCCc1cccnc1 850925671 AWBJJAUGUAXXHL-CYBMUJFWSA-N 233.311 2.912 30 20 BFED ClC1(Cl)C[C@H]1C=NO[C@H]1CCCCO1 853325809 PLUIURDWIJQLGJ-YUMQZZPRSA-N 238.114 2.709 30 20 BFED C[C@@H](NN=Cc1ccnn1CC1CC1)C(C)(C)C 853350700 VORPUJHNQPDZDV-LLVKDONJSA-N 248.374 2.651 30 20 BFED 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Cc1cc(C)c(C#N)c(N(C)Cc2ccco2)n1 40418604 DBHKIHCPCPLRIE-UHFFFAOYSA-N 241.294 2.800 30 20 BFED CCC1CCC(N(C)C(=O)[C@H](C#N)CC)CC1 44824754 ARVCCXCDOUNRQH-CPCZMJQVSA-N 236.359 2.963 30 20 BFED CC[C@@H](C)Oc1cccc(NC(=O)CC#N)c1 51781320 KQBOBAYHAXJAMB-SNVBAGLBSA-N 232.283 2.716 30 20 BFED C=CCNc1nnc(SCCC)s1 57804080 DRZRRAZSAPEJDF-UHFFFAOYSA-N 215.347 2.638 30 20 BFED C#CCCOC(=O)CCc1cc(Cl)cs1 77866765 JKUYPNDUUPTDNR-UHFFFAOYSA-N 242.727 2.901 30 20 BFED CN(CC1CCCCC1)C(=O)C1(C#N)CCC1 83795556 KYLJWXDSGKGIQA-UHFFFAOYSA-N 234.343 2.719 30 20 BFED N#Cc1cccnc1NC[C@H]1CCCCS1 87684924 OKJDAWJPZBJJMN-LLVKDONJSA-N 233.340 2.651 30 20 BFED C#Cc1cccc(NC(=O)c2oc(C)nc2C)c1 89750231 BDPYHEPIMXIYDA-UHFFFAOYSA-N 240.262 2.525 30 20 BFED C=C(CC)CN(C)Cc1ccc(C(=O)O)cc1 97208265 SJUOMWXHFKBWJR-UHFFFAOYSA-N 233.311 2.783 30 20 BFED C=CC1CCN(C(=O)c2ccc(F)cc2)CC1 110367765 PAACVXZNEAKTOE-UHFFFAOYSA-N 233.286 2.864 30 20 BFED COCCCCNc1c(F)cc(C#N)cc1F 111143319 XJWOSLUFCCOQGS-UHFFFAOYSA-N 240.253 2.675 30 20 BFED C=CC1CCN(C(=O)NCCC(C)C)CC1 111790832 YYUOPVGFWMYLGR-UHFFFAOYSA-N 224.348 2.640 30 20 BFED C=CC[C@@H](C)NC(=O)C1=Cc2ccccc2OC1 116859828 LOPTVLKASUHFIV-LLVKDONJSA-N 243.306 2.543 30 20 BFED C=CC[C@H](C)NCc1ccccc1[N+](=O)[O-] 116927506 VCYAFQKGXBDNTQ-JTQLQIEISA-N 220.272 2.649 30 20 BFED C=C(C)CN(CC)C(=O)c1cc(C(C)C)on1 120367983 WKUKDBHYDNJDCP-UHFFFAOYSA-N 236.315 2.836 30 20 BFED C=CCOC(=O)Cc1cccc(OC(C)C)c1 123978479 CNBBPPYIXSRBJL-UHFFFAOYSA-N 234.295 2.746 30 20 BFED CC[C@@H](SC)C(=O)Nc1ccc(CC#N)cc1 124825260 JZLPCCOFWOHIQB-GFCCVEGCSA-N 248.351 2.833 30 20 BFED N#Cc1ccc(CN2C[C@@H]3CCC[C@H]3C2)s1 126927093 SDWANMAQHFYFLC-QWRGUYRKSA-N 232.352 2.852 30 20 BFED CCOc1cccc(C(=O)N[C@@](C)(C#N)CC)c1 127060375 RBKFPMCOPYZXHA-CQSZACIVSA-N 246.310 2.507 30 20 BFED C[C@H](C#N)CN(C)Cc1cc(F)cc(F)c1 127989084 DIVWPPYKZRDPGC-SECBINFHSA-N 224.254 2.556 30 20 BFED CCc1ccc(CNC(=O)C2(C#N)CCC2)s1 129497878 RASWKUJBIRCAEJ-UHFFFAOYSA-N 248.351 2.621 30 20 BFED C=CCCOCCN[C@@H]1CC[C@H](C)[C@@H](C)C1 130361925 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C=CCCC(=O)Oc1cccc(OCC)c1 870677981 ILMVPRGAEWPKNE-UHFFFAOYSA-N 220.268 2.957 30 20 BFED COc1cccc(/C=N\[C@H]2CC23CCC3)c1O 871598537 SONABXQWWYBMMJ-ZENNRRHLSA-N 231.295 2.762 30 20 BFED Cc1ccc(CON=C2CCC2)cc1[N+](=O)[O-] 871733090 BMKDPJFTJCXKRU-UHFFFAOYSA-N 234.255 2.960 30 20 BFED C#Cc1cccc(CNC[C@@](C)(CC)OC)c1 877575378 QKGJUJYWJDUUAS-OAHLLOKOSA-N 231.339 2.573 30 20 BFED CCCCCCNC(=O)Nc1ccnc(C#N)c1 880544070 BKDMAGJXPVFRQP-UHFFFAOYSA-N 246.314 2.655 30 20 BFED C=C[C@H](CC(=O)NC1CSC1)c1ccccc1 880732445 FAEXNIUXRFJAKV-LLVKDONJSA-N 247.363 2.578 30 20 BFED Cc1nsc(NC[C@H]2C=CCC2)c1C#N 882756703 KKMTUPDSPSBOMO-VIFPVBQESA-N 219.313 2.701 30 20 BFED C=C1CCC(C(=O)OCCCOCC)CC1 885652292 QTSKJYZVOYANHH-UHFFFAOYSA-N 226.316 2.703 30 20 BFED C=C(C)C(C)(C)C(=O)NCCc1cccnc1C 890831137 PWIVQTAEBVDRPT-UHFFFAOYSA-N 246.354 2.651 30 20 BFED C=CCN(Cc1cn(CC)nc1C)C(C)C 891674078 FOMAQFBGDAPXEN-UHFFFAOYSA-N 221.348 2.608 30 20 BFED C[C@]1(C#N)CCCN(Cc2ccc(O)c(F)c2)C1 893526836 LWILYIOAXUVTGT-CQSZACIVSA-N 248.301 2.657 30 20 BFED C[C@H](C#N)CN[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 893542861 MYJZRXQVRPTGHL-GRYCIOLGSA-N 238.375 2.718 30 20 BFED C#C[C@@H](CC)NCc1cc(O)cc(Cl)c1 894387136 INRSXHWYADKUKH-NSHDSACASA-N 223.703 2.547 30 20 BFED C#C[C@H](N[C@@H]1CCC[C@H](SC)C1)C(C)C 894387417 MNXXHSPFIFRNTD-AGIUHOORSA-N 225.401 2.908 30 20 BFED CN(Cc1cnn(C2CCC2)c1)CC(C)(C)C#N 894610433 NDVJLRSLALXCHN-UHFFFAOYSA-N 246.358 2.590 30 20 BFED CCc1ncc(CNc2cc(C#N)ccn2)s1 902115706 IMXPXAFEKWHHSM-UHFFFAOYSA-N 244.323 2.584 30 20 BFED CC[C@H](NC[C@@H]1CCOC1)c1cccc(C#N)c1 902764433 FDOARPDGDDGMSN-ZFWWWQNUSA-N 244.338 2.635 30 20 BFED Cc1nc2c(s1)[C@@H](NCC1(C#N)CC1)CCC2 903106081 MKGGYPZSDGIBIT-JTQLQIEISA-N 247.367 2.722 30 20 BFED C=CCCCN(CC)Cc1ccc(C(=O)O)o1 903961095 KYQWQKJIBZNTMX-UHFFFAOYSA-N 237.299 2.766 30 20 BFED C=CCCC[C@H](N)c1nc([C@H]2C[C@@H]2C)no1 904613838 AULYHJRDEKLPQR-GUBZILKMSA-N 221.304 2.549 30 20 BFED CC[C@@H](C)CN(C)C(=O)c1ccsc1C#N 906643029 QFTSJOLLCPBSCD-SECBINFHSA-N 236.340 2.738 30 20 BFED 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247.313 2.793 30 20 BFED CN(CC1CCC1)C(=O)Nc1cccc(C#N)c1 111425116 LFPFKEIOVWMEMZ-UHFFFAOYSA-N 243.310 2.822 30 20 BFED CCN(CC)C[C@@H](C)Nc1cccc(F)c1C#N 112012522 NBPAXKDGULZJNS-LLVKDONJSA-N 249.333 2.840 30 20 BFED C=CC[C@@H](C)NC(=O)CCc1cccc(OC)c1 116863275 FWPRTCIISAFTGH-GFCCVEGCSA-N 247.338 2.709 30 20 BFED CCN(CCC#N)C(=O)c1cc(C)c(F)c(C)c1 121368782 DCVIPSDXAMJJSR-UHFFFAOYSA-N 248.301 2.818 30 20 BFED C=CC[C@@H](C)NCc1cccc(OC)c1F 122265762 GGKGBBCJLUCNHW-SNVBAGLBSA-N 223.291 2.889 30 20 BFED CC(C)(C#N)CN[C@@H]1CCc2ccccc21 129155319 WVOAFECYSTUECG-CYBMUJFWSA-N 214.312 2.813 30 20 BFED C=CCC(CC=C)C(=O)N1CCS[C@H](C)C1 130794424 XCIDHAYKJQDTKY-LLVKDONJSA-N 239.384 2.719 30 20 BFED C=CCCN1CCN(Cc2ccccc2)C[C@@H]1C 133159284 SQKCKFDHSIQPKN-HNNXBMFYSA-N 244.382 2.769 30 20 BFED C=C(C)COCCNC(=O)c1ccccc1CC 154336446 CIAZFKZBYFYXRA-UHFFFAOYSA-N 247.338 2.572 30 20 BFED C=C(C)CNC(=O)NC1CCCCCCC1 156573507 UEYGNQWUANGNLB-UHFFFAOYSA-N 224.348 2.975 30 20 BFED Oc1ccccc1/C=N/[C@H]1C=CCCC1 158177167 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20 BFED C#CCCCOC(=O)c1ccccc1SC 170713484 FBWVIQFWVLYHHF-UHFFFAOYSA-N 234.320 2.979 30 20 BFED C=CCCC(=O)NCc1ccc(Cl)s1 171430779 QLIFAYMCNDCPFC-UHFFFAOYSA-N 229.732 2.984 30 20 BFED C#C[C@H](C)OC(=O)Cc1c(C)[nH]c2ccccc12 174412461 AQUAVYXWNBFUJI-JTQLQIEISA-N 241.290 2.584 30 20 BFED N#CCC1(COC(=O)Cc2cccc(F)c2)CC1 174743314 JSDPQDMQAMVQRL-UHFFFAOYSA-N 247.269 2.605 30 20 BFED CCCC(=O)O[C@H](C)c1ccc(C#N)cc1 175752137 QYOZLMIJFDNCPO-SNVBAGLBSA-N 217.268 2.963 30 20 BFED C#CCCCN[C@H](C)c1cc(OC)ccc1OC 178053469 QDPBEVGTQRYQMF-GFCCVEGCSA-N 247.338 2.768 30 20 BFED CSC[C@@H](C)C(=O)Nc1cccc(C#N)c1C 178632525 YMYFMHQVBXKNOQ-SECBINFHSA-N 248.351 2.804 30 20 BFED C#CCCCNC(=O)Cc1c(C)cc(C)cc1C 179948683 WWIQTLSGBMPRMM-UHFFFAOYSA-N 243.350 2.684 30 20 BFED Cc1cnc(CN(CCC#N)CC2CC2)s1 180528988 PCLAJRJZJQOHTG-UHFFFAOYSA-N 235.356 2.577 30 20 BFED COC[C@@H](C#N)Nc1ccccc1OCC(C)C 181328144 ZKAMZJCJINGVJO-GFCCVEGCSA-N 248.326 2.672 30 20 BFED CC#CCCCC(=O)NCc1cccc(F)c1 185063685 SQFPJHLGFUORGJ-UHFFFAOYSA-N 233.286 2.636 30 20 BFED C=CC[C@@H](C(=O)NCCC)c1ccccc1 186029633 AMMGSINSNAAYTA-CYBMUJFWSA-N 217.312 2.873 30 20 BFED Cc1cc(C#N)ccc1CSC[C@H](C)CO 186130490 GTMKJKZWEVCLAP-SNVBAGLBSA-N 235.352 2.728 30 20 BFED C=C(C)CNC(=O)NC1C[C@H](C)C[C@@H](C)C1 187838240 QWZIZJVSUSENKT-GHMZBOCLSA-N 224.348 2.686 30 20 BFED C=CC[C@H](C(=O)NC[C@H](C)C#N)c1ccccc1 189392210 FJCIRFKSSCGWSG-OCCSQVGLSA-N 242.322 2.622 30 20 BFED CN(Cc1cc(C#N)n(C)c1)C1CCCCC1 191159479 PVFDXLSQPRUTPW-UHFFFAOYSA-N 231.343 2.661 30 20 BFED C#CCN(C)[C@@H](C)c1ncc(-c2ccccc2)o1 192235740 SRSUHHYNCQQQNI-LBPRGKRZSA-N 240.306 2.968 30 20 BFED C#CCCCCN[C@H](C)c1cccc(O)c1 193924556 SFXXIGGBIKIIEL-GFCCVEGCSA-N 217.312 2.846 30 20 BFED CCC[C@H](C)CC(=O)N(C)C1(C#N)CCC1 195354682 BLHWPASWVKFNNX-NSHDSACASA-N 222.332 2.717 30 20 BFED CCC[C@@H](O)CNc1cccc(Cl)c1C#N 218001297 WUUNNONLCQQXID-SECBINFHSA-N 238.718 2.785 30 20 BFED C#CCN(CC1CC1)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 252708049 YZHPFEJONJJYRN-KKUMJFAQSA-N 245.366 2.685 30 20 BFED 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30 20 BFED C[C@@H](C#N)CN(C)c1ccnc(C(F)(F)F)c1 302387710 FNYMBVLZOKBVQN-QMMMGPOBSA-N 243.232 2.696 30 20 BFED C=C[C@@H](NCc1cccc2ccccc12)C(=O)O 306068134 ZHHGRLUNHAXOLO-CQSZACIVSA-N 241.290 2.569 30 20 BFED CC(C)(C#N)CNc1cccc(Cl)n1 306332047 DGUIVQHJZSXYQJ-UHFFFAOYSA-N 209.680 2.697 30 20 BFED Cc1nc(C#N)cc(N(C)C2CCCCCC2)n1 308490530 QXSXXMVFQFBMRP-UHFFFAOYSA-N 244.342 2.816 30 20 BFED C#CCCNc1ccc(C)cc1OCC 309056395 UNULRLAUROGMJG-UHFFFAOYSA-N 203.285 2.829 30 20 BFED CC1(C)CC[C@H](N[C@H]2CC[C@H](C#N)C2)C1 309110582 JLKGAVSIBURQRT-SRVKXCTJSA-N 206.333 2.847 30 20 BFED CC[C@H](Cc1cccs1)NCC1(C#N)CC1 310002569 FJQDBBCHMKLPSU-LLVKDONJSA-N 234.368 2.963 30 20 BFED C[C@@H](c1cccs1)N(C)c1ccnc(C#N)n1 310400478 MXPBSWRXPDZVCW-VIFPVBQESA-N 244.323 2.607 30 20 BFED N#Cc1cccc(C(=O)N2CC3CCC2CC3)c1 310806453 YOSSSKOIOCMFTC-UHFFFAOYSA-N 240.306 2.573 30 20 BFED Cc1cc(CN(C)[C@H](C)CC#N)cc(Cl)n1 320835101 IERPINOGRKTMAK-SNVBAGLBSA-N 237.734 2.777 30 20 BFED CC1=C(C(O)=Nc2cnccn2)CCC1 329831979 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2.636 30 20 BFED C=CCCC(=O)NCc1cnccc1C(C)(C)C 412572041 RHEHYJOCEGAHKE-UHFFFAOYSA-N 246.354 2.962 30 20 BFED N#Cc1cnc(NC[C@@H]2CC=CCC2)c(F)c1 413082796 IESGSNCMTSBVAY-SNVBAGLBSA-N 231.274 2.861 30 20 BFED N#Cc1ccc(CNC(=O)CC2CCCC2)s1 421602206 RHRYOEYTEWTYHS-UHFFFAOYSA-N 248.351 2.816 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@H](C)c1cnn(C)c1C 424583873 NUJBEGKLRMNOQB-SNVBAGLBSA-N 249.358 2.508 30 20 BFED C=C[C@H](C)NC(=O)Nc1cnc([C@H](C)CC)nc1 434518885 VMAXXNGTIXMMLN-ZJUUUORDSA-N 248.330 2.686 30 20 BFED CCSCCN1CCCC(C)(C)[C@@H]1C#N 444735352 ZLOXABPYYNKIGF-NSHDSACASA-N 226.389 2.754 30 20 BFED CC(C)CCC[C@H](C)NC(=O)[C@@]1(C#N)C[C@@H]1C 448650775 YFTPXSLJTQPBFH-SGMGOOAPSA-N 236.359 2.867 30 20 BFED C=CCCOCCNCc1ccc(C)cc1OC 449211840 UIJQNRKGHBUHBK-UHFFFAOYSA-N 249.354 2.686 30 20 BFED CC1(C)CCCN1CCN[C@@H]1CCC[C@@H](C#N)C1 449783091 NEISWMYAOKCTFC-ZIAGYGMSSA-N 249.402 2.533 30 20 BFED C=CCCCC(=O)N1CC[C@@H](OCC)[C@H](C)C1 452835997 RIVCSMKBQMBZTK-CHWSQXEVSA-N 239.359 2.616 30 20 BFED C=CCC(C)(C)C(=O)NCc1cnccc1C 456197324 UDJACDYRWDJNBK-UHFFFAOYSA-N 232.327 2.609 30 20 BFED C=C(C)CN[C@H](C(C)C)C1(CO)CCCC1 459525221 GYSMABFGANELPA-CYBMUJFWSA-N 225.376 2.729 30 20 BFED C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]1CCC 461803711 RLBHSLFQNUUFLN-VXGBXAGGSA-N 209.333 2.847 30 20 BFED C[C@H]1COC(C)(C)CN1c1cccc(F)c1C#N 487044039 KFMXYSNIUCZUAX-JTQLQIEISA-N 248.301 2.701 30 20 BFED C#C[C@H](C)N(C)C(=O)NCC1(CCC)CCC1 491232324 ZZEXTIOFVNFEGX-LBPRGKRZSA-N 236.359 2.620 30 20 BFED C#C[C@@H](C)N(C)C(=O)[C@H](C)CC1CCCC1 491415166 GZJYRQLFECYRPI-VXGBXAGGSA-N 221.344 2.683 30 20 BFED C#C[C@H](CCC)NC(=O)[C@H]1CCC[C@@H]1CC 491555766 TYVROIWXXJEBDT-XQQFMLRXSA-N 221.344 2.731 30 20 BFED CC#CCCNC(=O)c1ccccc1SCC 541748318 KEWQMMJXXMVOHT-UHFFFAOYSA-N 247.363 2.942 30 20 BFED C=CCN(Cc1ccccc1)[C@H](C(=O)O)C1CC1 566358022 CNCSVMMXCOQTDW-AWEZNQCLSA-N 245.322 2.538 30 20 BFED N#C[C@H]1CC[C@H](NCc2noc3ccccc23)C1 581676691 DPWFTRKALBPMQC-QWRGUYRKSA-N 241.294 2.610 30 20 BFED CC(C)[C@](C)(C#N)NC(=O)CCCC1CC1 589686239 XYFKGANHQDQJMD-ZDUSSCGKSA-N 222.332 2.621 30 20 BFED C[C@@H]1SCCN(C[C@H](C)CCC#N)[C@@H]1C 589821252 MDRJGMZXIMTVJX-UTUOFQBUSA-N 226.389 2.752 30 20 BFED C[C@H](CCC#N)N[C@H](C)c1cccc(C#N)c1 591022950 HQMNKIVKDBKSIK-VXGBXAGGSA-N 227.311 2.901 30 20 BFED CCCOc1cccc(NC(=O)[C@H](C#N)CC)c1 593402354 GSAWWJPMCGPUGA-NSHDSACASA-N 246.310 2.964 30 20 BFED CC[C@@H](C#N)C(=O)N(C1CC1)[C@H](C)c1ccco1 593419362 QXNQGPSMZXVHKD-MNOVXSKESA-N 246.310 2.881 30 20 BFED C[C@@H](CSc1ccccc1)N(C)C(=O)CC#N 593762774 WXOCXEKMYGTCKD-NSHDSACASA-N 248.351 2.539 30 20 BFED CC[C@H](C#N)N(C)C(=O)[C@H](C)c1ccccc1F 594090446 VBMWSKQDTDVSKO-GHMZBOCLSA-N 248.301 2.690 30 20 BFED CC[C@H](C#N)N(C)C(=O)c1cccc(Cl)c1 594100859 MPAWQESJDPBTQG-LLVKDONJSA-N 236.702 2.714 30 20 BFED CSCC1(CCN[C@H]2CC[C@@H](C#N)C2)CC1 595073382 RWTFKGHRAFWONZ-NEPJUHHUSA-N 238.400 2.802 30 20 BFED CC1(C)[C@H]2CN(CCc3ccc(C#N)cc3)C[C@@H]21 595324881 CKAZPAZCJBKRNB-GJZGRUSLSA-N 240.350 2.689 30 20 BFED CCN(C(=O)CC1CCCCC1)[C@H](C)C#N 598347412 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C[C@@H](C#N)OC(=O)C[C@@H]1CCC[C@@H](C)C1 750241456 OHIYCUYYEHVQJL-OUAUKWLOSA-N 209.289 2.658 30 20 BFED C(CCc1ccccc1)=NNc1cnccn1 755634758 RJPOLGBHJMYBBQ-UHFFFAOYSA-N 226.283 2.507 30 20 BFED CC(C)(C)c1nc(C#N)c(NN=CC2CC2)o1 755673746 CNKLNEGFNRSHDI-UHFFFAOYSA-N 232.287 2.651 30 20 BFED CC(C)CCn1cccc1C=NNCC(F)F 755738255 GHLZNVOMZJUUDH-UHFFFAOYSA-N 243.301 2.723 30 20 BFED Cc1ccc(C=NOCc2nccc(C)n2)cc1 755813720 GZUYHLLIZRVPOU-UHFFFAOYSA-N 241.294 2.644 30 20 BFED CO[C@@H]1CCCCC1=NNc1cc(C)ccn1 755900627 MPLOLRRKGRHMKM-GFCCVEGCSA-N 233.315 2.747 30 20 BFED CCCCC[C@H](C(=O)OCC#N)C(C)C 756668683 DYIUVPOCLMYPJL-NSHDSACASA-N 211.305 2.906 30 20 BFED C=CCCCOC(=O)/C=C\c1cccnc1 759410349 ZABKZQNPRFIPNA-FPLPWBNLSA-N 217.268 2.604 30 20 BFED CC#CCCOC(=O)c1ccc(C(C)C)nc1 760284984 VDNOYJQXPWAYPB-UHFFFAOYSA-N 231.295 2.775 30 20 BFED COc1cc(F)ccc1NN=Cc1ccn(C)c1 761890361 MLJDJGBXZKREAB-UHFFFAOYSA-N 247.273 2.619 30 20 BFED Cc1ccc(C(=O)Oc2ccc(C#N)c(C)c2)o1 765097851 JJTMGRWVRMVVHF-UHFFFAOYSA-N 241.246 2.987 30 20 BFED C#CCOc1ccc(COC(=O)/C(C)=C/C)cc1 765132863 VZIPEBFXNDPNHI-LFYBBSHMSA-N 244.290 2.708 30 20 BFED C#CCCCN1C[C@H](C)CN(C)c2ccccc21 766915168 ANJMPQNNPFTWAP-CQSZACIVSA-N 242.366 2.992 30 20 BFED C#C[C@@H](C)N(C)c1ncnc2sc(CC)cc12 767442551 TUNNNLHJRWROJS-SECBINFHSA-N 245.351 2.712 30 20 BFED C=CCN(C(=O)N=c1cc(C)[nH]cc1C)C(C)C 767952501 ZCGZHNRQWVYVRI-UHFFFAOYSA-N 247.342 2.549 30 20 BFED C[C@H](C#N)CNN=Cc1cc2cc(F)ccc2o1 771105433 ZKNKQEIAALNURW-SECBINFHSA-N 245.257 2.655 30 20 BFED C[C@@H]1CCCC[C@H]1C=NN[C@H]1CCCOC1 780260943 PRKBWLCYYLTWLI-AGIUHOORSA-N 224.348 2.567 30 20 BFED C[C@]1(C#N)CCCN(C[C@@H]2CC2(Cl)Cl)C1 784451896 MFARURNOJWMJOX-VHSXEESVSA-N 247.169 2.806 30 20 BFED C[C@H]1CC(=NNC2CCCCC2)CN1C1CC1 786043369 NMNQHJJLAQIRMC-NSHDSACASA-N 235.375 2.521 30 20 BFED Cc1cc(C(=O)/C=C\c2ccccc2)no1 791432097 LNGRFLMVBIMLSZ-FPLPWBNLSA-N 213.236 2.879 30 20 BFED C=CCC1(C(=O)OCCCCCCO)CCC1 791560094 FFHWPTOSEVIFEH-UHFFFAOYSA-N 240.343 2.829 30 20 BFED CCC1(CC)C(=NOCCSC)C[C@H]1OC 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239.340 2.974 30 20 BFED CC(=NN1CCCC[C@@H]1C)C1CCN(C)CC1 853381828 MNIRAPHGVLALEX-LBPRGKRZSA-N 237.391 2.579 30 20 BFED CCOCC(C)=NNc1ccnc(Cl)c1 853394624 VDYCDXWQTUJDMT-UHFFFAOYSA-N 227.695 2.559 30 20 BFED C#CCOCCOc1ccc(OCC2CC2)cc1 853661314 TUAFSAZWWAFGNO-UHFFFAOYSA-N 246.306 2.504 30 20 BFED C=CCCNc1ncnc2sc(C)cc12 853790496 GMOXXCUIHQMUIH-UHFFFAOYSA-N 219.313 2.988 30 20 BFED C=C(C)CCNC(=O)c1ccc2c(c1)C[C@H](C)O2 854819043 SAUAKPVDIATLMS-NSHDSACASA-N 245.322 2.706 30 20 BFED CC#CC(=O)NCC1CC(C)(C)CC(C)(C)C1 855612540 GLSIYPCSVPKLGS-UHFFFAOYSA-N 235.371 2.978 30 20 BFED C#CC[C@@H](OC(=O)c1cocc1C)C(C)C 860581057 NPPXOMKNFSZHIK-GFCCVEGCSA-N 220.268 2.793 30 20 BFED C#CC[C@H](CCOC)N[C@H]1CCC[C@@H](C2CC2)C1 862547680 MCQMSGJOSGPMIF-OAGGEKHMSA-N 249.398 2.973 30 20 BFED C=CCCC(=O)OCc1cccc2c1CCOC2 869379142 RUMPLWCRECYFIB-UHFFFAOYSA-N 246.306 2.769 30 20 BFED C=CCOCCOC(=O)c1sc(C)cc1C 869578945 UGQMLCCFPDRCPG-UHFFFAOYSA-N 240.324 2.724 30 20 BFED CCCOc1cccc(C=NN2CCC2)c1 872395727 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C=C(CC)C(=O)N(CCOC)C(CC)CC 1263709460 RFISWORMIMOGQZ-UHFFFAOYSA-N 227.348 2.616 30 20 BFED N#Cc1ccc(COC(=O)[C@H]2CC23CCC3)s1 1326839173 PCGUUZJIYVVXFT-LLVKDONJSA-N 247.319 2.853 30 20 BFED Cc1ccc(C#N)nc1NCCCC(F)F 1335095058 XOXGVCDIMLHWEK-UHFFFAOYSA-N 225.242 2.719 30 20 BFED C[C@H]1CC[C@@H](C)N1C(=O)c1ccc(C#N)cc1F 1336401886 CCROQPRKFKKFDA-AOOOYVTPSA-N 246.285 2.710 30 20 BFED C=C(C)CCC(=O)NC[C@H]1CCC(F)(F)C1 1338067643 GWHHFRONRSEZIL-JTQLQIEISA-N 231.286 2.894 30 20 BFED C=C(C)CCC(=O)N1CCc2ccsc2C1 1339020380 ZESNPRGYKUOWQG-UHFFFAOYSA-N 235.352 2.989 30 20 BFED Cc1coc(C(=O)OCC2(C#N)CCCC2)c1 1344073975 YCXIVMVWJSXRTN-UHFFFAOYSA-N 233.267 2.829 30 20 BFED C=C(C)CCC(=O)N[C@H](C)COc1ccccc1 1346739009 LPSDGUKHDOXVHU-CYBMUJFWSA-N 247.338 2.926 30 20 BFED C=CCC(C)(C)c1nc(-c2cccc(O)n2)no1 1350350350 NCTZFVFSIQPPGW-UHFFFAOYSA-N 245.282 2.691 30 20 BFED CC[C@@H](C)[C@H](C)NC(=O)c1ccc(C#N)cc1F 1353540555 HBGHMYWZDODSLV-ZJUUUORDSA-N 248.301 2.862 30 20 BFED 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C[C@H]1C[C@@H](Nc2cccc(F)c2C#N)CCN1C 90795301 BHYZNMVMUOLZDT-QWRGUYRKSA-N 247.317 2.592 30 20 BFED C=CCOC(=O)c1ccc2c(c1)CCCC2 96998952 OROUDHMJZKBUSZ-UHFFFAOYSA-N 216.280 2.908 30 20 BFED C=C(CC)COc1ccc(C=O)cc1[N+](=O)[O-] 97208100 PUDLVYDFYBYGDT-UHFFFAOYSA-N 235.239 2.752 30 20 BFED CCc1cc(C(=O)N[C@H](C#N)C2CC2)sc1C 108843142 IBSWMCSIFVCLIT-LLVKDONJSA-N 248.351 2.651 30 20 BFED C#CCCOC(=O)[C@H](C)CSc1ccccc1 111946719 LVTMHKQSIQAWER-GFCCVEGCSA-N 248.347 2.981 30 20 BFED C=CC[C@H](C)[C@H](C)NC[C@]1(C)CCCO1 122861385 HHQKPTGXVRGYBG-AVGNSLFASA-N 211.349 2.746 30 20 BFED Cn1ccc(NCC#Cc2ccc(Cl)cc2)n1 123621589 MJAZUOMCJFCQIW-UHFFFAOYSA-N 245.713 2.537 30 20 BFED C=C(C)CN(CC)C(=O)c1ccc(Cl)o1 125011065 WRPBMJDAUSSLBA-UHFFFAOYSA-N 227.691 2.971 30 20 BFED C/C(=C/c1ccc(C#N)s1)c1cnccn1 126584491 DUPYDLXXABSGGE-TWGQIWQCSA-N 227.292 2.970 30 20 BFED C=C[C@@H](C)Nc1ccnc(C(C)(C)C)n1 129264672 HSWHVGSDCLFVNE-SECBINFHSA-N 205.305 2.761 30 20 BFED CS[C@H](C)CN[C@H](C)c1ccc(C#N)cc1 135513126 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C=C(C)CN(C)CCCCCn1cc(C)cn1 181292341 VSXUVFLRPXRISM-UHFFFAOYSA-N 235.375 2.870 30 20 BFED C#CCC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 185016487 HMQOGWCUHZWKJK-UHFFFAOYSA-N 246.266 2.583 30 20 BFED COc1cccc(NCCCCC#N)c1[N+](=O)[O-] 185355723 RXCIKYGECNAEMI-UHFFFAOYSA-N 249.270 2.709 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1ccc(C(C)=O)cn1 188043204 QRACNDJPPKHLAJ-CQSZACIVSA-N 246.310 2.825 30 20 BFED Cc1csc(CSCCCC#N)n1 190972563 NRAUUSYDQIOMQW-UHFFFAOYSA-N 212.343 2.989 30 20 BFED C[C@H](NCC(C)(C)CCO)c1cccc(C#N)c1 224706587 OHCIGHZQIXCDSR-LBPRGKRZSA-N 246.354 2.617 30 20 BFED Cc1ccc(Cl)cc1C(=O)NC(C)(C)C#N 228453465 XAWOAZUWMQJMOS-UHFFFAOYSA-N 236.702 2.680 30 20 BFED C#Cc1cccc(NCc2ccoc2C(=O)O)c1 232423888 GQRPBYCRKWRHMB-UHFFFAOYSA-N 241.246 2.571 30 20 BFED CCc1ccc(N/C(N)=N\[C@@H]2C[C@H]2CC)cc1 262803634 MXKQILRCOWYCLX-DGCLKSJQSA-N 231.343 2.774 30 20 BFED CC1(C(=O)Oc2ccc(C#N)cc2F)CCC1 269223115 PAZPSECWKAZPFV-UHFFFAOYSA-N 233.242 2.793 30 20 BFED C#CCCCCC(=O)NCCCC(F)(F)F 271344693 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COC[C@H](C)NN=C1CC(c2ccccc2)C1 814895054 GLGABKZDVJAODW-AMGKYWFPSA-N 232.327 2.545 30 20 BFED FC(F)(F)CNN=Cc1cccc2cc[nH]c12 814904300 CHTJDAAYHXQJBK-UHFFFAOYSA-N 241.216 2.654 30 20 BFED C(=NN[C@@H]1CCSC1)c1cccc2cc[nH]c12 814933590 SKOVIHGGRRFTEV-GFCCVEGCSA-N 245.351 2.597 30 20 BFED C=C(C)CCNC(=O)c1ccc(C(C)C)nc1O 821413540 ZESPUOIXDDKTHN-UHFFFAOYSA-N 248.326 2.607 30 20 BFED C#CC1CCN(c2nc(C(C)=O)c(C)s2)CC1 826710444 MYWRKKNXFUGYLS-UHFFFAOYSA-N 248.351 2.504 30 20 BFED Cc1csc([C@H](C)N[C@H](C)CCC#N)n1 829172086 KFIGTWMSUPWEKU-SCZZXKLOSA-N 223.345 2.794 30 20 BFED C#CC1CCN(Cc2cccc(COC)c2)CC1 830342969 HYRHTTWSBBJERR-UHFFFAOYSA-N 243.350 2.678 30 20 BFED C=CC(C)(C)C(=O)OC[C@H]1Cc2ccccc2O1 835243111 AKALCWQOKIPCIT-GFCCVEGCSA-N 246.306 2.746 30 20 BFED C#C[C@@H](OC(=O)[C@@]1(C)CC=CCC1)C1CC1 835251859 JLTBCULTUKBJHZ-OCCSQVGLSA-N 218.296 2.688 30 20 BFED C=CCONC(=O)c1ccc(C(C)(C)C)cc1 837043230 KCJFANRHBXTGNG-UHFFFAOYSA-N 233.311 2.832 30 20 BFED N#C[C@H]1CCC[C@H](OC(=O)CC(F)(F)F)C1 839444328 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2.738 30 20 BFED CC(C)(C#N)COC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 860645789 VDPCWTQXERCTCA-COPLHBTASA-N 235.327 2.906 30 20 BFED C=C[C@H](OC(=O)[C@@H](OCC)C1CC1)C(C)(C)C 860737659 JFJTUTSOUNQZGA-RYUDHWBXSA-N 240.343 2.945 30 20 BFED C#CC[C@H](CCOC)N[C@H]1CCCCC[C@H]1C 862548958 RLSRDDGZERDCEH-KFWWJZLASA-N 237.387 2.973 30 20 BFED C=CCOCSc1nnc(C2CC2)s1 865358616 HYOUHIAEZHGDGR-UHFFFAOYSA-N 228.342 2.668 30 20 BFED C#CCCSCC(=O)c1ccccc1 865372917 YCSOLBFVUXAZLT-UHFFFAOYSA-N 204.294 2.626 30 20 BFED Cc1cc(NN=C2CCC[C@@H]2C(C)C)nc(N)n1 872421045 WJOAIFRNEKPCSB-SNVBAGLBSA-N 247.346 2.591 30 20 BFED Cc1cccc(O)c1CN1CCC[C@H](CC#N)C1 877622078 FFJHGQFBOAIFTD-CYBMUJFWSA-N 244.338 2.826 30 20 BFED C=CC(C)(C)CNc1ccnc(F)c1[N+](=O)[O-] 882417706 YPNWYBDJBZIRTB-UHFFFAOYSA-N 239.250 2.753 30 20 BFED C=CCC(C)(C)CNC(=O)N1CCC(F)CC1 883665313 HNZSJWOSOCAAIA-UHFFFAOYSA-N 242.338 2.732 30 20 BFED C=CC(C)(C)C(=O)Nc1c(Cl)c(C)nn1C 892126841 LUCWQDGKMHDFJE-UHFFFAOYSA-N 241.722 2.533 30 20 BFED CS[C@H]1CCCC(=NNc2cncnc2)C1 901236105 AGOVYFYNXMBQMS-NSHDSACASA-N 236.344 2.550 30 20 BFED CC[C@@H](C#N)SCCNC(=O)OC(C)(C)C 901611700 BSEBPPASYXMERT-VIFPVBQESA-N 244.360 2.546 30 20 BFED C=CC[C@@H]1CCCN(C(=O)/C=C(\C)Cl)C1 912389147 PVVPYDOLJRZFQM-RJCSOLBVSA-N 227.735 2.944 30 20 BFED C=C1CN(C(=O)/C=C\CCc2ccccc2)C1 912449712 AVLZPGDFVMJKAQ-POHAHGRESA-N 227.307 2.574 30 20 BFED C=CCN(C(=O)NCCc1ccccc1)C(C)C 918000537 XDDIRIUTVFFLEG-UHFFFAOYSA-N 246.354 2.835 30 20 BFED C#CCN(C(=O)N[C@@H]1CCC(C)(C)C1)C(C)C 921748589 FUZJGADGBXWFKS-GFCCVEGCSA-N 236.359 2.618 30 20 BFED C=CCCOC(=O)[C@@]1(C)CCOc2ccccc21 924421293 USGRZKSQPUJVFN-HNNXBMFYSA-N 246.306 2.846 30 20 BFED C=C[C@H](CC)CC(=O)N[C@H](C)c1ccccn1 929346072 NUNLOQJIXBGZFM-VXGBXAGGSA-N 232.327 2.861 30 20 BFED C[C@H]1C[C@H](C)N(C(=O)Nc2sccc2C#N)C1 931842580 JZMMOXOVTSACRD-IUCAKERBSA-N 249.339 2.882 30 20 BFED C=C[C@H](CC)CC(=O)N[C@H]1CCC[C@H]1C 932059052 SPPOOGOSMCPMQW-UTUOFQBUSA-N 209.333 2.894 30 20 BFED C=C[C@H](CC)CC(=O)Nc1ccc(C)nc1 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BFED C=C(CC)C(=O)Nc1cncc(SC)c1 1348736114 DFOQSPGSKWLZPC-UHFFFAOYSA-N 222.313 2.708 30 20 BFED N#Cc1cccc(C#N)c1N[C@@H]1C[C@H]1c1ccco1 1472805079 XJQHQNOADYDKOQ-CHWSQXEVSA-N 249.273 2.991 30 20 BFED N#Cc1sccc1C(=O)NCc1ccsc1 1515222321 ROTFFHFXHPGUJV-UHFFFAOYSA-N 248.332 2.611 30 20 BFED C=C(CC(C)C)C(=O)NCc1c(C)noc1C 1548632390 KLOQIMHNRBNSFM-UHFFFAOYSA-N 236.315 2.510 30 20 BFED C#CCN(CC1(CC(=O)O)CC1)C1CCCCC1 1588467832 HUFJQDUDRIGPOO-UHFFFAOYSA-N 249.354 2.509 30 20 BFED C=CC[C@H](C(=O)O)N1CCC(C)(C(C)C)CC1 1588729858 VILYFPZZHGXMOK-GFCCVEGCSA-N 239.359 2.774 30 20 BFED C=CC[C@@H](C)OC(=O)c1cc(C)cc(C(=O)O)c1 1602837027 BIKKKJMATPCWIE-SNVBAGLBSA-N 248.278 2.815 30 20 BFED N#Cc1cccc(C(=O)Oc2ccccc2F)c1 6153199 ALPJLDQRVMAKAF-UHFFFAOYSA-N 241.221 2.917 30 20 BFED CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CC#N 20466507 YQXLFXGCCUNCPI-GHMZBOCLSA-N 222.332 2.621 30 20 BFED CCC[C@H](C)N(C)C(=O)c1ccc(C#N)cc1 35238975 YVQVZOPUAFUOFD-NSHDSACASA-N 230.311 2.819 30 20 BFED C=CCC[C@@H](O)CN(Cc1ccccc1)C1CC1 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N#C[C@H](NC(=O)C1CCCC1)c1ccccc1F 76646299 DHYYGVQDQUNLLK-ZDUSSCGKSA-N 246.285 2.697 30 20 BFED CCc1ccc(CN2CCC[C@@H](C#N)C2)cc1 79830281 OSQQCZFDXTVXCA-HNNXBMFYSA-N 228.339 2.985 30 20 BFED N#Cc1ccc(SCCCO)c(Cl)c1 85162710 OBZDDAZYZWXBQZ-UHFFFAOYSA-N 227.716 2.686 30 20 BFED C=CCCN[C@@H](C)c1ccc(OC)cc1 85300059 GOTHTNMNGSLGFN-NSHDSACASA-N 205.301 2.922 30 20 BFED C=CCN(CC(=O)O)Cc1ccc(C2CC2)cc1 94525708 DIMYVEQIYWREHG-UHFFFAOYSA-N 245.322 2.637 30 20 BFED O=C(O)c1ccc(/C=C\C(=O)c2ccco2)cc1 103026660 GXYUZJPFGCNSRG-YVMONPNESA-N 242.230 2.874 30 20 BFED Cc1ccccc1C[S@](=O)CCCCC#N 107999448 LKHVLRBZCLTKBT-INIZCTEOSA-N 235.352 2.938 30 20 BFED CC(=O)Nc1ccccc1SCCC#N 108200507 AVNUXRROTLZDEA-UHFFFAOYSA-N 220.297 2.651 30 20 BFED C[C@H]1CN(Cc2ccccc2)CC[C@@H]1C#N 115740703 SQZXLXJCTKIWBA-GXTWGEPZSA-N 214.312 2.668 30 20 BFED CC[C@H](C#N)NC(=O)C[C@H](C)c1ccccc1C 116185904 JEBMRXKACQSCGJ-QWHCGFSZSA-N 244.338 2.907 30 20 BFED Cc1ccoc1C(=O)/C=C/c1cncs1 119031985 ADWFVEGVLJOWIV-NSCUHMNNSA-N 219.265 2.941 30 20 BFED CC[C@H](C#N)NC(=O)C[C@H](C)c1ccccc1 120137705 PKBRXEJBVOZYKU-WCQYABFASA-N 230.311 2.599 30 20 BFED C=CC[C@H](C)NC(=O)N1CC[C@H](C)[C@@H](C)C1 127883394 FRUIWXUSCFNJGI-SRVKXCTJSA-N 224.348 2.639 30 20 BFED C=C[C@@](C)(CC)C(=O)Nc1ccc(F)nc1 135127733 ZHBGCGQUQAFSJG-LBPRGKRZSA-N 222.263 2.762 30 20 BFED CCCCNc1cc(C#N)sc1[N+](=O)[O-] 137082722 WHDJIJLEJJPZNO-UHFFFAOYSA-N 225.273 2.740 30 20 BFED C#CCCCOc1ccc(F)cc1C(C)=O 147886920 WVFKFWQHDNGRFO-UHFFFAOYSA-N 220.243 2.821 30 20 BFED C=CCCCCCN(C)Cc1nc(CC)no1 150897874 AGQJLKTVBVGQEF-UHFFFAOYSA-N 237.347 2.810 30 20 BFED COc1ccc(OC[C@H](C#N)CCC#N)cc1C 155377569 BZTVZWQTNOSSEI-LBPRGKRZSA-N 244.294 2.826 30 20 BFED CCC[C@H](C(=O)O[C@@H](C#N)CC)C(C)C 155960228 APSJMECAAJSOMS-MNOVXSKESA-N 211.305 2.904 30 20 BFED CC(C)NC(=O)N[C@H](CCC#N)c1ccccc1 158967518 OGSRSTSWTJXGJK-CYBMUJFWSA-N 245.326 2.739 30 20 BFED C=CCN(C)C(=O)C1(c2cccc(F)c2)CC1 161542829 WMJIZJAWANGBNF-UHFFFAOYSA-N 233.286 2.502 30 20 BFED C#C[C@H](C)NCc1ccccc1OC(C)C 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243.350 2.977 30 20 BFED C[C@H]1CC[C@H](/N=C/c2ccc(O)c(O)c2O)CC1 247274667 YJPFDWSYXLPUKP-FBVBHMKISA-N 249.310 2.801 30 20 BFED C=CCCN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O 253087889 DPLMKWRYUXEEAJ-RRFJBIMHSA-N 237.387 2.968 30 20 BFED C=C(CC)CN1CCCC[C@H]1C[C@H](C)O 253089209 GNSDXBDYKBLVOH-STQMWFEESA-N 211.349 2.578 30 20 BFED Cc1ccccc1C(=O)N[C@@H](C#N)C1CCCC1 260090205 SLVWIYUUZNLNFS-AWEZNQCLSA-N 242.322 2.807 30 20 BFED Cc1cccc(C(=O)N[C@H](C#N)C2CCCC2)c1 260160986 VRBQZVBPOVLVGS-CQSZACIVSA-N 242.322 2.807 30 20 BFED C[C@@H]1CCC[C@H](CN=C(N(C)C)N(C)C)[C@@H]1C 262495695 WIMMOPONFOETED-JHJVBQTASA-N 239.407 2.538 30 20 BFED C=CCCSc1nnc(N2CCCC2)s1 265720524 RQHQWSZHAFBTSC-UHFFFAOYSA-N 241.385 2.807 30 20 BFED CC[C@@H]1CCC[C@@H]1Nc1ccc(C#N)cn1 268277560 VOICTNOHMPJMHT-NEPJUHHUSA-N 215.300 2.944 30 20 BFED CC1=CCN(Cc2ccc(OCC#N)cc2)CC1 270093784 AVRDVHKYQOXYEN-UHFFFAOYSA-N 242.322 2.741 30 20 BFED C#CCC(C)(C)C(=O)N1CCc2cc(C)ccc21 274320057 GAANJRGSFWMOLY-UHFFFAOYSA-N 241.334 2.934 30 20 BFED 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235.283 2.607 30 20 BFED C=C[C@@](C)(CC)C(=O)NCC1CC(F)(F)C1 293737830 VAKPPNKTTQMRJB-NSHDSACASA-N 231.286 2.750 30 20 BFED Cc1ncsc1CCN[C@@H]1CCC[C@@H](C#N)C1 294986798 KHXHGWKLYBXYBQ-VXGBXAGGSA-N 249.383 2.666 30 20 BFED C#CCCCCc1nc(CCC=C)no1 297450412 WYUNDKWHOVGPIO-UHFFFAOYSA-N 204.273 2.534 30 20 BFED COC[C@H](NCCC#N)c1ccc(Cl)cc1 298621286 UVKMPUPJWPOVNJ-LBPRGKRZSA-N 238.718 2.531 30 20 BFED CSCOc1cc(Cl)cc(C#N)c1 307105272 CXMYKCPIWSZLMA-UHFFFAOYSA-N 213.689 2.911 30 20 BFED C=CCCC[C@H](C)N[C@@H](C)CCCCO 308825778 DOQDEWDOVGTQFQ-STQMWFEESA-N 213.365 2.872 30 20 BFED CC1(C)C[C@@H]1Nc1ccc(Cl)c(C#N)n1 309146408 VINBKEOWEPLBJJ-VIFPVBQESA-N 221.691 2.817 30 20 BFED CC(C)(C)ON=Cc1ccccc1[N+](=O)[O-] 309356320 IDOLFVLNYZYFEO-UHFFFAOYSA-N 222.244 2.744 30 20 BFED CC(C)CCN(C(=O)c1ccc(C#N)o1)C1CC1 311105974 QUDQBGAMLQYEMU-UHFFFAOYSA-N 246.310 2.802 30 20 BFED N#Cc1ccc(N[C@@H](C2CCC2)C2CC2)nc1 324735652 LGZFAAMFUHFSIK-AWEZNQCLSA-N 227.311 2.944 30 20 BFED Cc1ccnc(CNc2nccc(C)c2C#N)c1 328233679 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248.370 2.869 30 20 BFED C=CCn1c(C)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 350624174 ZILNZPYOGNAIRC-DGCLKSJQSA-N 248.374 2.787 30 20 BFED CCOCCCN[C@@H]1CCc2ccc(C#N)cc21 353425131 ITXJXSCAUJIOBB-OAHLLOKOSA-N 244.338 2.562 30 20 BFED C=C(C)CN(CC)C(=O)[C@H]1Cc2ccccc21 353672579 AAPSVKYEKFLGFI-AWEZNQCLSA-N 229.323 2.751 30 20 BFED C=CCCC1(C(=O)N2CC=C(C)CC2)CC1 356544896 FPQPDVWHJTUGFA-UHFFFAOYSA-N 219.328 2.911 30 20 BFED C=CCCC(=O)N[C@@H](C)c1ccncc1CC 358730937 LEVUPIWDAVJLRF-NSHDSACASA-N 232.327 2.787 30 20 BFED C=CCOCCCSCCCc1cn[nH]c1 359124773 UGEQTXCWYLXTQO-UHFFFAOYSA-N 240.372 2.668 30 20 BFED C[C@H](C#N)C(=O)N[C@H](C)[C@H](C)C1CCCCC1 359731237 AJRFUJWSOMMQMB-GRYCIOLGSA-N 236.359 2.867 30 20 BFED N#CCCCC(=O)NC(C1CCC1)C1CCC1 360615053 AMZVNBPOOSBNNE-UHFFFAOYSA-N 234.343 2.765 30 20 BFED C=C[C@H](C)NC(=O)Nc1ccccc1COC 362628101 QMYKBGLAKGVUFT-JTQLQIEISA-N 234.299 2.529 30 20 BFED C=C[C@H]1CCCCN1c1ncnc(CC)c1F 362844874 WLEQHWXDDJEGOH-JTQLQIEISA-N 235.306 2.723 30 20 BFED 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246.310 2.537 30 20 BFED C[C@@H]1COCC1=NNc1ccccc1Cl 884373119 CRYVRNBTEXBOES-MRVPVSSYSA-N 224.691 2.774 30 20 BFED C=C1CCC(C(=O)N[C@H](CC)CSC)CC1 889863102 GJTPQWPUCWMRPI-GFCCVEGCSA-N 241.400 2.991 30 20 BFED C#C[C@@H](NCc1cnc(F)c(C)c1)C(C)(C)C 894517350 JEVXXEHFELFMLY-GFCCVEGCSA-N 234.318 2.667 30 20 BFED C#Cc1ccc(CNC(C)(C)CSC)cc1 898305563 IWGHBJQZIXPUSK-UHFFFAOYSA-N 233.380 2.899 30 20 BFED N#C[C@@H](c1ccccc1)N1CCC[C@@H](F)C1 902993742 WZCZVGVSFZZCFW-OLZOCXBDSA-N 218.275 2.685 30 20 BFED CC1(C(=O)Nc2ncc(C#N)s2)CCCC1 903936692 RWASMSBWCSDAKZ-UHFFFAOYSA-N 235.312 2.534 30 20 BFED CC[C@@H](C)CCNC(=O)c1ccsc1C#N 912382045 BMPLKZNSFRIYMX-SECBINFHSA-N 236.340 2.786 30 20 BFED CCCCCC(C)=NNc1nccc(OC)n1 914696652 GHZQLPICYDKQGT-UHFFFAOYSA-N 236.319 2.853 30 20 BFED CCCNN=Cc1cc2ccccc2o1 915965091 DUBGRJZETWLIAM-UHFFFAOYSA-N 202.257 2.766 30 20 BFED N#C[C@@H]1CC[C@@H](N2CCC(c3ncco3)CC2)C1 931445021 XUDQLTUTSTWRIB-DGCLKSJQSA-N 245.326 2.546 30 20 BFED C=CC1CCN(C(=O)/C=C\c2nccs2)CC1 1120930812 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N#Cc1c(F)cccc1N[C@@H]1CCCCC[C@H]1O 37892741 IZAHBJNOPQNIRY-ZIAGYGMSSA-N 248.301 2.803 30 20 BFED C[C@H](C#N)CN(C)Cc1cccc2cccnc12 42324390 GDRWNTJCSMFEIH-GFCCVEGCSA-N 239.322 2.826 30 20 BFED Cc1ccc(C(=O)N(CCC#N)C(C)C)s1 42530411 FOWQDGDPLRLDFS-UHFFFAOYSA-N 236.340 2.821 30 20 BFED C[C@@H](C#N)C(=O)Nc1ccc(C(F)(F)F)cc1 44809729 ZOYWKCQYAXNSMG-ZETCQYMHSA-N 242.200 2.804 30 20 BFED CC[C@H](C#N)C(=O)Nc1cccc(F)c1C 44827747 BZFMOOUVRYWROD-SECBINFHSA-N 220.247 2.622 30 20 BFED CCC[C@@H](CC)Nc1nnc(C)c(C)c1C#N 50164871 XKNONSQNMOMIIC-LLVKDONJSA-N 232.331 2.956 30 20 BFED CC1CCC(N(CCC#N)C2CC2)CC1 52104023 RCZMAWGFLRXKLS-UHFFFAOYSA-N 206.333 2.943 30 20 BFED C=CC/N=C(\N)NC[C@@H](c1ccccc1)C(C)C 66242931 PSKNPNWEOOMJIZ-CQSZACIVSA-N 245.370 2.517 30 20 BFED CSCCCN[C@H](C)c1cccc(C#N)c1 68997606 NIVJFKGEPSVSQE-LLVKDONJSA-N 234.368 2.962 30 20 BFED N#Cc1cccnc1N1CCc2ccccc2CC1 71202936 WOEUHVIFVSNFJS-UHFFFAOYSA-N 249.317 2.558 30 20 BFED CCC[C@@H](C(=O)N(C)CCC#N)c1ccccc1 71797435 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C=CC[C@@H](C)NC(=O)c1ccc(OC)cc1F 116850844 NFYGPXILRPPJLY-SECBINFHSA-N 237.274 2.529 30 20 BFED CC#CCN1CCCC[C@H](SCC)C1 119794440 OJJQOHAFLPOQLI-LBPRGKRZSA-N 211.374 2.617 30 20 BFED CC#CCNC(=O)c1ccc(C(C)C)cc1 121394604 ZBZJYRFUTHVLEB-UHFFFAOYSA-N 215.296 2.563 30 20 BFED C=CCn1c(C)cc(C(=O)CN2CCCC2)c1C 122546361 HFJIKFMSVAOMFV-UHFFFAOYSA-N 246.354 2.569 30 20 BFED CCC[C@@H](C(=O)N[C@@H](C#N)CC)c1ccccc1 123851767 OQJRUMMYEXQIEN-ZIAGYGMSSA-N 244.338 2.989 30 20 BFED C=CCOC(=O)c1ccc(SC)cc1 123914057 GEVPUXXZCSLCKG-UHFFFAOYSA-N 208.282 2.751 30 20 BFED C=CCNC(=O)N[C@H](C)c1cccc(F)c1F 125416978 FDIFAZXAIHLSON-MRVPVSSYSA-N 240.253 2.511 30 20 BFED C=CCC[C@H](C)NC1CCN(CCC)CC1 126731861 ZNQXIXDFHUWPAY-ZDUSSCGKSA-N 224.392 2.805 30 20 BFED CCC(CC)CC(=O)N[C@@](C)(C#N)CC 126770078 OBGYXYDTFAYWGM-GFCCVEGCSA-N 210.321 2.621 30 20 BFED C=CCCSc1nnc2n1CCCCC2 128616054 ZDTADHXKSXHCAD-UHFFFAOYSA-N 223.345 2.673 30 20 BFED C=CCC[C@@H](C)Nc1ccc(CC(=O)NC)cc1 130605865 ALYODYORBPCISJ-GFCCVEGCSA-N 246.354 2.742 30 20 BFED C=C[C@H](C)Nc1cc(C)ccc1[N+](=O)[O-] 130627229 KTZFWTUITNPGLX-VIFPVBQESA-N 206.245 2.890 30 20 BFED C=CCCN(CCO)[C@H]1CCCc2ccccc21 133085636 OEHQKKKTTJVDSM-INIZCTEOSA-N 245.366 2.934 30 20 BFED CSC[C@H](C)N[C@H](C)c1cccc(C#N)c1 135522640 ZSHDYOZSIIDZSN-WDEREUQCSA-N 234.368 2.960 30 20 BFED C[C@H](CC#N)N(C)CCc1ccc(F)c(F)c1 152166035 SLJNAKNWNRJBTB-SNVBAGLBSA-N 238.281 2.741 30 20 BFED CSc1ccccc1NC(=O)N[C@@H](C)CC#N 153471852 HWXIFUCSUKOWPE-VIFPVBQESA-N 249.339 2.832 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)CCC(C)(C)C 156390529 SHHUWQKSSCPEKF-NSHDSACASA-N 224.348 2.821 30 20 BFED C=CCSCCNC(=O)CC1=CCCCC1 170944255 APAHUMWTVJJBRZ-UHFFFAOYSA-N 239.384 2.912 30 20 BFED C=CC[C@@H](C)NC(=O)c1cnc(CCC)s1 173800193 RSFUHVRPFGRMLU-SECBINFHSA-N 238.356 2.790 30 20 BFED C#CCCCNC(=O)Nc1ccc(C)c(F)c1 174415344 CFYGFSGLCJIQMD-UHFFFAOYSA-N 234.274 2.669 30 20 BFED CCCCCCCCN1CCOC[C@H]1C#N 174850450 XRWWZKWPXBIHLY-CYBMUJFWSA-N 224.348 2.571 30 20 BFED C=CCN(CC=C)C(=O)NCC1(CC)CC1 174957766 LPXYPOVSTCLQCG-UHFFFAOYSA-N 222.332 2.560 30 20 BFED C[C@@H](N(C)C(=O)c1cccc(C#N)c1)C1(C)CC1 175620552 BDCIIMXKQWCFHS-LLVKDONJSA-N 242.322 2.819 30 20 BFED CC[C@@H](C#N)NC(=O)C1(CC(C)C)CCC1 179241755 XKRQAVCAIWEWTH-NSHDSACASA-N 222.332 2.621 30 20 BFED C=C(C)CN(C)C(=O)[C@H](C)c1cccc(OC)c1 180384200 KQIFBZIYDIFFJO-GFCCVEGCSA-N 247.338 2.833 30 20 BFED CC#CCCSCc1nc(C(C)C)no1 184930463 IUXCJSFEUAEYRY-UHFFFAOYSA-N 224.329 2.840 30 20 BFED CC[C@@H](C)CC(=O)Nc1ccc(C#N)c(C#N)c1 187857202 AGROGYGOYBXUFL-SNVBAGLBSA-N 241.294 2.805 30 20 BFED CCCCCCCCCN1CCOC[C@H]1C#N 192111446 QPODCSGKEJAKRD-CQSZACIVSA-N 238.375 2.961 30 20 BFED C=CC[C@@H](C)NC(=O)[C@H]1CCCc2cccnc21 192586971 BVQILXYCWLWWGY-YPMHNXCESA-N 244.338 2.582 30 20 BFED CCn1cc(/C=C\C(=O)c2cccs2)cn1 210102055 WROWYBIZOHWSGI-WAYWQWQTSA-N 232.308 2.861 30 20 BFED C=C(CN[C@@H]1CCO[C@@H](C)C1)c1ccccc1 223053434 NOPQJICTJKPPMO-DZGCQCFKSA-N 231.339 2.857 30 20 BFED CC[C@@H](c1ccc(F)cc1)N1CCO[C@@H](C#N)C1 247239982 ZCARFIWGOHVLDI-KBPBESRZSA-N 248.301 2.501 30 20 BFED Cc1ccc(CNCC2(C#N)CCC2)cc1 258597824 HFLWZIHLXZLXIE-UHFFFAOYSA-N 214.312 2.779 30 20 BFED C=CCC[C@H](O)CN1C[C@H](C)Oc2ccccc21 268537397 JYZQPWAAASVACL-STQMWFEESA-N 247.338 2.601 30 20 BFED C[C@@H](C1CC1)N(C)C(=O)c1ccc(CC#N)cc1 270314563 ZWHIZQHTQZGJAY-NSHDSACASA-N 242.322 2.623 30 20 BFED Cc1cc(OC(=O)C=C2CCC2)ccc1C#N 277787685 FPNXLRYYAWLYIV-UHFFFAOYSA-N 227.263 2.882 30 20 BFED CCc1sc(C(=O)N2CC(C)(C#N)C2)cc1C 280597874 YEUGBXCXADZYDZ-UHFFFAOYSA-N 248.351 2.605 30 20 BFED C=CC[C@H](CC)NC(=O)c1ccccc1 281059824 LETWZRGXOHXLOB-LBPRGKRZSA-N 203.285 2.771 30 20 BFED O[C@H](CCON=C1CCC1)c1ccccc1 285241748 RDUIFJNQTGYFPQ-CYBMUJFWSA-N 219.284 2.667 30 20 BFED N#CCCN1Cc2cccc(Cl)c2C1 287467071 RNNUCXWHEKQSDV-UHFFFAOYSA-N 206.676 2.569 30 20 BFED CC(C)(C#N)Cc1nc([C@@H]2CCCS2)no1 289090988 PBNWZXVFOQQPCN-QMMMGPOBSA-N 237.328 2.730 30 20 BFED C=CCN(CC=C)C(=O)CCc1cncc(C)c1 292331608 RYCOCBOMCHWHJF-UHFFFAOYSA-N 244.338 2.523 30 20 BFED C=CCC(C)(C)C(=O)N[C@H](C)c1ccccn1 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2.888 30 20 BFED C#CCCCNC1CCC(C(F)F)CC1 308885167 SFVYRWWYGWNNCA-UHFFFAOYSA-N 215.287 2.813 30 20 BFED N#CCCNc1cc(Cl)ccc1[N+](=O)[O-] 308915156 GYYXYVQSDWCUGH-UHFFFAOYSA-N 225.635 2.574 30 20 BFED C=CCCCCCCNC(=O)[C@@H](C#N)CC 309288381 JERQQVZPNOZCMN-GFCCVEGCSA-N 222.332 2.789 30 20 BFED C=CCC[C@H](N[C@H](CC)CO)c1ccco1 309905682 KCCQDGNLXQYKFM-NEPJUHHUSA-N 223.316 2.647 30 20 BFED Cc1ccnc(N=C(O)[C@@H]2CCCSC2)n1 329630842 RBGMAEDYIMFEPY-SECBINFHSA-N 237.328 2.516 30 20 BFED C[C@@H]1C(=O)CC[C@@H]1C/C(O)=N/[C@@H]1CCC[C@H]1C#N 330011229 IPYVVJYVMDBOSJ-WHOHXGKFSA-N 248.326 2.640 30 20 BFED CSc1cccc(NC(=O)[C@H](C)C#N)c1C 334175474 CJZCNRABCYUEOH-MRVPVSSYSA-N 234.324 2.815 30 20 BFED C[C@@H](C#N)Sc1ccc(C#N)cc1F 334535189 JQGDKKUXQQWXJR-ZETCQYMHSA-N 206.245 2.702 30 20 BFED N#CCCC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 335377765 BJQGZWRTSFSOFD-KGLIPLIRSA-N 231.343 2.694 30 20 BFED C=C[C@H]1CCCCN1Cc1cncs1 335400012 JHHGSZCNXFNIHA-JTQLQIEISA-N 208.330 2.684 30 20 BFED C=CC1CCN(C(=O)c2ccc(C)c(O)c2)CC1 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2.833 30 20 BFED C#C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1 836405827 FEZFCROCOSRFMQ-VOAKCMCISA-N 236.359 2.522 30 20 BFED C=CCONC(=O)c1ccc(C(C)(C)C)s1 837047336 HKUZVHFVRXIBIG-UHFFFAOYSA-N 239.340 2.893 30 20 BFED C#Cc1cccc(CNC(=O)[C@@H](C)CCC)c1 837106181 XQAAMNRKVWRNDB-LBPRGKRZSA-N 229.323 2.720 30 20 BFED Cc1cc(C#N)cc(NC(=O)C=C2CCC2)c1 837140535 BSNLHCCXQGMWLQ-UHFFFAOYSA-N 226.279 2.916 30 20 BFED C#CCC[C@H](C)OC(=O)c1ccc(C)o1 839034560 RRPTXHCWDLAYFB-VIFPVBQESA-N 206.241 2.547 30 20 BFED C#CCC[C@@H](C)OC(=O)[C@@H](C)OCCCC 839034722 AUQLWNFTJYSMER-VXGBXAGGSA-N 226.316 2.537 30 20 BFED C#CCCCC(=O)Oc1ccccc1COC 839120974 BQGPLHYIORJQGI-UHFFFAOYSA-N 232.279 2.542 30 20 BFED CCCCC[C@@H](CC)C(=O)N(C)[C@@H](C)C#N 839368165 WWBAQTIWDWKWOD-NWDGAFQWSA-N 224.348 2.963 30 20 BFED C=C(C)CNC(=O)[C@@H](C)OCCCCCC 839731991 UYCMMSNTHPANGE-GFCCVEGCSA-N 227.348 2.664 30 20 BFED C#CCCCCCC(=O)Nc1nccn1C1CC1 839941131 NJMZLTXAJHPXRH-UHFFFAOYSA-N 245.326 2.740 30 20 BFED 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30 20 BFED CC(=O)C(C)=NOCc1cc(C)nc(Cl)c1 902758300 KNPQAOGXJCQNSF-UHFFFAOYSA-N 240.690 2.525 30 20 BFED C=CC[C@@H](CC)NC[C@H](O)c1cccc(C)c1 905243510 JPFWFUYRJGBFRG-CABCVRRESA-N 233.355 2.973 30 20 BFED CCCCNN=Cc1c(F)cccc1F 915969411 JJYCYUJNDRYJDI-UHFFFAOYSA-N 212.243 2.688 30 20 BFED C=CCCCNCc1cnn(CC2CCC2)c1 922079885 UOFNJTWXBRLIJA-UHFFFAOYSA-N 233.359 2.739 30 20 BFED C#CCN(C(=O)[C@@H](F)c1ccccc1)C(C)C 928625712 AOROFFFXQWDFMP-ZDUSSCGKSA-N 233.286 2.567 30 20 BFED COc1cc(O)ccc1C=NOC/C=C\Cl 1117646222 AAMMXSYCEQLMJA-WVDZYLRBSA-N 241.674 2.504 30 20 BFED C=C(C)CCC(=O)N(C)[C@H](C)c1ccccn1 1120684397 ZWSLNLCFSLWDBC-GFCCVEGCSA-N 232.327 2.957 30 20 BFED CN(CCCF)C(=O)[C@@H](CC#N)c1ccccc1 1133955634 YXSNWKLROMXSEK-ZDUSSCGKSA-N 248.301 2.502 30 20 BFED C=CCN(CC(=O)Nc1ccc(C)cc1)C(C)C 1323497593 ZHCWXWYQUFFQRR-UHFFFAOYSA-N 246.354 2.830 30 20 BFED C=C[C@@](C)(CC)c1nnc(Cc2ccncc2)o1 1329325902 MQMNKBQILUCIHP-AWEZNQCLSA-N 243.310 2.909 30 20 BFED C=CCC(C)(C)C(=O)Nc1cc(C#N)cc(C)n1 1332470444 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CC(=NN[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]2CC[C@H]1O2 834969946 ZUSBEYKWMNNJKN-XDSHMYFISA-N 248.370 2.708 30 20 BFED CC1(C)CCCC[C@@H]1NN=C1CCn2ccnc21 834977171 KTYCRYDVBVGNRT-LBPRGKRZSA-N 246.358 2.549 30 20 BFED C=CCON=C(C)c1ccc(C)nc1C 835014289 DTMUTDMACCLKNA-UHFFFAOYSA-N 204.273 2.625 30 20 BFED C=CCCOCC(=O)O[C@H](CC)[C@H](C)CC 835590264 QBKINJFHKQSNCH-VXGBXAGGSA-N 228.332 2.947 30 20 BFED CC(C)CCN(C)C(=O)C#CC(C)(C)C 837335729 UJRVFHQWMUTCGV-UHFFFAOYSA-N 209.333 2.540 30 20 BFED C=CCONC(=O)NC[C@H]1CCCC(C)(C)C1 838713637 AGBRKLAPBWNDNJ-NSHDSACASA-N 240.347 2.620 30 20 BFED N#C[C@@H]1CCC[C@H](OC(=O)[C@H]2CCCS2)C1 839448350 HXODYMYBMYOSBJ-OUAUKWLOSA-N 239.340 2.508 30 20 BFED C/C=C\COC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 840605613 OOPJFPFDXGZGMT-KUHFFWNOSA-N 241.290 2.781 30 20 BFED C#CCN(Cc1ccccc1)C[C@@H](CC)OC 842157390 DMJMPFSFUOFTDG-OAHLLOKOSA-N 231.339 2.547 30 20 BFED C=C[C@@H](OC(=O)[C@H](CC)OCC)C(C)(C)C 842347885 BMTCYKOKTFLUEW-WDEREUQCSA-N 228.332 2.945 30 20 BFED Cc1cc(SCCO[C@@H](C)C#N)ccc1C#N 842632393 FZIIRVQWZBRZNW-NSHDSACASA-N 246.335 2.887 30 20 BFED CO[C@H](C#N)c1ccc(-c2cnn(C)c2C)cc1 844236117 RZRPSJBDVIGVGE-CQSZACIVSA-N 241.294 2.607 30 20 BFED C=C[C@H](C)ONC(=O)NC[C@H]1CCC[C@H](C)C1 845640295 FBPIAYMBYHJAEJ-SRVKXCTJSA-N 240.347 2.618 30 20 BFED CCON(Cc1ccccc1)C(=O)[C@@H](C#N)CC 846251384 IDPSEYLKFSFVNR-CYBMUJFWSA-N 246.310 2.516 30 20 BFED C=C[C@H](C)ONC(=O)CC1CCCCCC1 846547776 QQNORYJRKKTGGD-NSHDSACASA-N 225.332 2.969 30 20 BFED CC(C)C#CC(=O)N1CCC[C@@H](C(C)(C)C)C1 846942352 XZFPDMCXUCLQSU-CYBMUJFWSA-N 235.371 2.931 30 20 BFED C/C(=C\c1ccco1)C(=O)N[C@@H](C#N)CC(C)C 846945731 PUJHFVIADRXXRG-JATZPVMKSA-N 246.310 2.737 30 20 BFED CC[C@@H](C)NN=C1CCc2c1cccc2[N+](=O)[O-] 848409433 WCAUFZNRXBYCLT-SECBINFHSA-N 247.298 2.633 30 20 BFED C#C[C@@H](C)NC(=O)N1CCCC(CC)(CC)C1 852261400 ADCYECHXKLHRGC-GFCCVEGCSA-N 236.359 2.620 30 20 BFED C[C@@H]1CCCCN1N=C1CCOC2(CCC2)C1 853381393 BXGAHQVPECIKOB-GFCCVEGCSA-N 236.359 2.950 30 20 BFED C#CCN1CCC[C@H](c2ccc(F)c(F)c2)C1 859416326 FNXKHZQCZJHOAW-LBPRGKRZSA-N 235.277 2.777 30 20 BFED C#CC[C@@H](CCOC)N[C@@H]1CC=C(C)CC1 862548228 AOIPEQXFFPNFTO-UONOGXRCSA-N 221.344 2.503 30 20 BFED CCC(=Nn1cnnc1)c1cc(C)ccc1C 863063432 QTXORWJDXSSRIU-UHFFFAOYSA-N 228.299 2.557 30 20 BFED COCCON=C1CCCc2c(F)cccc21 872355623 KRUKFYAPXXICSB-UHFFFAOYSA-N 237.274 2.529 30 20 BFED CCC[C@@H](C)N(C)C(=O)Nc1ccc(C#N)cn1 889220520 ASSQXBGKMVQFQM-SNVBAGLBSA-N 246.314 2.606 30 20 BFED C=C1CCC(C(=O)OCC2(O)CCCC2)CC1 892868197 ZYAGOWHGXKBUCC-UHFFFAOYSA-N 238.327 2.581 30 20 BFED C#CCCCCCC(=O)OC1(C=C)CC1 893363959 IXNBLVFCFGYDJU-UHFFFAOYSA-N 206.285 2.832 30 20 BFED CC[C@@H]1C[C@H]1CNc1ccc(C#N)cc1CO 894057901 KGNFUSWIKZWSJE-NEPJUHHUSA-N 230.311 2.509 30 20 BFED C=CCCC[C@H](N)c1nc(CC(C)C)no1 899999100 KBEYVFKSFZVPBA-JTQLQIEISA-N 223.320 2.624 30 20 BFED C=CCCc1nc([C@@H](OCC)C(C)C)no1 904116538 YTTKTVQLLYJVIC-NSHDSACASA-N 224.304 2.922 30 20 BFED CCCCN(O)C(=O)C[C@H]1C=CCCC1 904212243 MPTPAXXSJDOPGZ-NSHDSACASA-N 211.305 2.751 30 20 BFED C=CC(C)(C)C(=O)NCCC#C[Si](C)(C)C 912327726 UJDDAIQLRLXHLP-UHFFFAOYSA-N 237.419 2.586 30 20 BFED C=CCCCCS(=O)(=O)c1cccc(F)c1 919233621 HVHOYWSWHZRVAF-UHFFFAOYSA-N 242.315 2.956 30 20 BFED C[C@@H]1CCCC[C@@H]1/N=C\c1ccc(O)c(O)c1O 920943379 WUAWUPIHNWGXKS-UDNMNGMBSA-N 249.310 2.801 30 20 BFED CC(C)C[C@H](C)OC(=O)N1CCC[C@@H](C#N)C1 921359471 IYFTXGMRLUXKBN-RYUDHWBXSA-N 238.331 2.793 30 20 BFED C#CCSCCN[C@@H]1CCC[C@H](SC)C1 921768620 KJOXXZRZRMAUMH-NEPJUHHUSA-N 243.441 2.617 30 20 BFED C=CCSCCN[C@@H](C)c1c(C)noc1C 925353009 UDYRLECSGHHGAY-VIFPVBQESA-N 240.372 2.861 30 20 BFED C[C@@H](CC(C)(C)C#N)N[C@H]1CCCc2c[nH]nc21 925551438 RWMWSDRUOUHVLO-JQWIXIFHSA-N 246.358 2.705 30 20 BFED C=C[C@@H](CC)CC(=O)NCCCOCC1CC1 929431389 AARLNOWHNHESCW-LBPRGKRZSA-N 239.359 2.522 30 20 BFED CC(C)(C)c1cnc(CN2CCC[C@H](C#N)C2)o1 932160657 ZTEFARBDXMVLRR-LLVKDONJSA-N 247.342 2.708 30 20 BFED Cn1ccc(NN=C2C3CC4CC(C3)CC2C4)n1 1116759932 XAERVVJFEBFMQA-UHFFFAOYSA-N 244.342 2.644 30 20 BFED C#CCN(CC1CC1)C(=O)CC[C@@H](C)CC 1117116059 YAUNODQMNJRCBD-LBPRGKRZSA-N 221.344 2.685 30 20 BFED COCC#CC(=O)Nc1c(C)cccc1C(C)C 1118652091 KDEGLBDEZSTTCB-UHFFFAOYSA-N 245.322 2.707 30 20 BFED CC[C@H](C#N)N(CC)C(=O)C[C@@H]1CCC[C@H]1C 1121160502 FJZWKURXFLPQFS-FRRDWIJNSA-N 236.359 2.963 30 20 BFED C=C(C)CCC(=O)O[C@@H]1CCC[C@H](C#N)C1 1121219590 JRPCTRQNVUBHBV-NWDGAFQWSA-N 221.300 2.968 30 20 BFED C=CCC[C@H](O)CN1CC[C@H]2CCCC[C@H]2C1 1252600165 YODSWFHLGRRKLL-ILXRZTDVSA-N 237.387 2.826 30 20 BFED CC(=NOC(C)(C)C)c1ccc(O)cc1O 1253788765 JNJQSSFXPVBKKX-UHFFFAOYSA-N 223.272 2.637 30 20 BFED C[C@]1(C(=O)O[C@H]2CC[C@H](C#N)C2)CC=CCC1 1263383969 JPKTVHXVNFTMNH-OBJOEFQTSA-N 233.311 2.968 30 20 BFED N#Cc1ccc(SCc2cnsn2)cc1 1307294881 ZRMSLWDRJACRRG-UHFFFAOYSA-N 233.321 2.702 30 20 BFED FC(F)(F)CNN=Cc1ccc2c(c1)CCC2 1321270335 XDXKTIQQVJVZLO-UHFFFAOYSA-N 242.244 2.661 30 20 BFED C=C(CC)CNC(=O)N1CC2CCC1CC2 1328135466 FKLDNTIMGJTHSH-UHFFFAOYSA-N 222.332 2.537 30 20 BFED CC(C)(C)[C@@H]1CCN1c1ncc(C#N)cc1F 1336818924 VGKNYFNTYSPPFQ-NSHDSACASA-N 233.290 2.717 30 20 BFED C=CCCCOC(=O)[C@@H]1C[C@H]1c1ccncc1 1343466827 BSOJNMKNBJVYHI-QWHCGFSZSA-N 231.295 2.695 30 20 BFED N#CCC1(OC(=O)c2csc(C#N)c2)CCC1 1344819991 KBFRSOOCLHTCLI-UHFFFAOYSA-N 246.291 2.613 30 20 BFED C=C1CCN(C(=O)c2cc3c(o2)CCCC3)CC1 1346410585 NCMQQKXIZRLHNM-UHFFFAOYSA-N 245.322 2.951 30 20 BFED CC[C@H](C#N)N(CC)C(=O)[C@@H](C)C1CCCC1 1349906777 MLELJSZRLUFKRQ-WCQYABFASA-N 236.359 2.963 30 20 BFED C#Cc1ccc(COC(=O)COCCCC)cc1 1518491372 SAUNULCEJQRPIK-UHFFFAOYSA-N 246.306 2.528 30 20 BFED CC[C@@H]1CCN(C(=O)CC(C)(C)C#N)[C@@H]1C 1529582429 KWHISCKPHYIGKI-GHMZBOCLSA-N 222.332 2.573 30 20 BFED C=C(CC)C(=O)N[C@@H]1COc2c1ccc(C)c2C 1548641195 ZVHSFJUREWSVJK-CYBMUJFWSA-N 245.322 2.819 30 20 BFED Cc1cc(C#N)cc(NC(=O)c2cc[nH]c2C)c1 1557005406 TYHIXPWVIXGIHH-UHFFFAOYSA-N 239.278 2.756 30 20 BFED C#C[C@@](C)(CC)NCc1ccc(C)c(C(=O)O)c1 1573303032 UAORMOFEKQCGKZ-HNNXBMFYSA-N 245.322 2.585 30 20 BFED C=C(C)CCCN1Cc2occ(C(=O)O)c2C1 1776139007 DYGITNPJJUQEFO-UHFFFAOYSA-N 235.283 2.650 30 20 BFED Cc1cccc(C(=O)Nc2ccccc2C#N)n1 19484643 QRQOONFHVRIUPF-UHFFFAOYSA-N 237.262 2.514 30 20 BFED CCC[C@@H](C)NCc1ccc(C#N)cc1F 20040593 HKRJTQVRHIZPAN-SNVBAGLBSA-N 220.291 2.976 30 20 BFED CCc1cccc(C)c1NC(=O)[C@H](C)C#N 36240636 FCVOJDGUXNWYJO-SNVBAGLBSA-N 216.284 2.656 30 20 BFED C=CCn1cnnc1SCCc1ccccc1 41338402 XNIDFEJDHDKKAA-UHFFFAOYSA-N 245.351 2.799 30 20 BFED Cc1cc(F)ccc1NC(=O)C(C)(C)C#N 42091674 DHNLWEFTXLQDQY-UHFFFAOYSA-N 220.247 2.622 30 20 BFED CCCC[C@@H](CC)C(=O)N(CC)CCC#N 42454297 UVWPRNZXHYCXNE-GFCCVEGCSA-N 224.348 2.965 30 20 BFED CCC(C#N)(CC)C(=O)N1CCCCCC1 44764592 XBWZSCNZTRDMGL-UHFFFAOYSA-N 222.332 2.719 30 20 BFED N#Cc1cccnc1N1CC[C@@H](c2ccccc2)C1 50266890 SWIIMTYRHMTXNC-OAHLLOKOSA-N 249.317 2.947 30 20 BFED CC[C@H](CC#N)NCc1ccc(Cl)o1 54183408 UCAHOSOVSIPQEH-MRVPVSSYSA-N 212.680 2.715 30 20 BFED CN(CCC(F)(F)F)Cc1ccc(C#N)cc1 64635457 SHDYQPCEAIEGMC-UHFFFAOYSA-N 242.244 2.942 30 20 BFED Cc1cc(C)c(C#N)c(N2CCSC[C@H]2C)n1 70222481 WDQKQWPGPLHLGH-LLVKDONJSA-N 247.367 2.512 30 20 BFED Cc1ccccc1CN(C)C[C@@H](C#N)CCC#N 72589881 SVVDIIPRSIXYGN-CQSZACIVSA-N 241.338 2.870 30 20 BFED O=C(CCCC1CCCC1)/N=C1/NCCS1 79336920 RTWLQOSPTKXCON-UHFFFAOYSA-N 240.372 2.566 30 20 BFED N#C[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 79826975 RPXIKHOCTJRABB-SNVBAGLBSA-N 247.273 2.593 30 20 BFED N#CCCC[S@](=O)c1ccc2c(c1)CCC2 84262912 LHUCYGJUFRNTOU-MRXNPFEDSA-N 233.336 2.587 30 20 BFED CCC(CC)NCc1cc(C#N)cs1 86500099 BEFAREJFJPLLRC-UHFFFAOYSA-N 208.330 2.898 30 20 BFED CC[C@H](C)N(C)Cc1ccc(F)cc1C#N 104688202 YHHLUBJJUKSSAA-JTQLQIEISA-N 220.291 2.928 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)C1(C)CCCC1 112799141 YGLUMSUIVHJVTQ-NSHDSACASA-N 222.332 2.575 30 20 BFED C=CCCOC(=O)CO[C@@H]1CCCC[C@@H]1C 113655273 WTAXGCXRXJNVLI-NWDGAFQWSA-N 226.316 2.701 30 20 BFED C[C@@H](CC1CCCC1)C(=O)N[C@H](C#N)C1CC1 114332709 ZROPHXKDFCKVED-GXFFZTMASA-N 234.343 2.621 30 20 BFED C=CC[C@@H](C)NC(=O)[C@@H](C)c1cccs1 119125152 QVLXUKPAZZSFBG-ZJUUUORDSA-N 223.341 2.932 30 20 BFED Cc1ccc(CCCCC(=O)N[C@H](C)C#N)cc1 125191633 AYDVHZIGYUTUBO-CYBMUJFWSA-N 244.338 2.736 30 20 BFED Cc1ccc(NC(=O)C2(C#N)CC(C)C2)c(C)n1 125830243 AEPRHZYDHJWVNU-UHFFFAOYSA-N 243.310 2.577 30 20 BFED C=C[C@@H](C)Nc1cc(COC)nc(C(C)(C)C)n1 126067837 YQYZKVBWIJNQLV-SNVBAGLBSA-N 249.358 2.907 30 20 BFED C=CC[C@@H](C)NC(=O)C[C@@H](C)c1ccncc1 160486857 YBSMGAZDTLCZFQ-VXGBXAGGSA-N 232.327 2.656 30 20 BFED Cc1c(C(=O)/C=C/c2cccs2)cnn1C 164817993 XSSLMGQNWWYDDB-AATRIKPKSA-N 232.308 2.686 30 20 BFED C#C[C@@H](C)NCc1ccc(CC(C)C)cc1 166401790 ZRJWMAVGZPSSAQ-CYBMUJFWSA-N 215.340 2.996 30 20 BFED C=CCC[C@@H](C)NCCCn1nc(C)cc1C 168736113 AFQDANDQKKCCTE-GFCCVEGCSA-N 235.375 2.834 30 20 BFED C=CC[C@@H](C)N[C@@H](C)Cc1ccc(O)cc1 169119272 NLZMIELPAKWHIK-NEPJUHHUSA-N 219.328 2.877 30 20 BFED CC1(CNC(=O)Nc2ccc(C#N)cc2)CCC1 176417871 KOOIEWCPTQYZQW-UHFFFAOYSA-N 243.310 2.870 30 20 BFED C=CCSCCNC(=O)C[C@H]1CC[C@H](C)C1 177689266 CBRIXDVUJPALNE-RYUDHWBXSA-N 241.400 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2.673 30 20 BFED C[C@@H]1CC(=NNC2CCOCC2)C[C@H](C)C1 747765997 MWSNEBPIAVJMDJ-PHIMTYICSA-N 224.348 2.567 30 20 BFED C=CCNC(=S)N(C)CCC1CCCCC1 751030342 MKUPAQWMELCFGZ-UHFFFAOYSA-N 240.416 2.949 30 20 BFED C#CCN(C[C@H]1C[C@@H]1C)C1CCCCC1 754099514 ADPDGTGWOOWSET-QWHCGFSZSA-N 205.345 2.910 30 20 BFED Clc1ccc2cccnc2c1C=NNC1CC1 758131948 AINHEFBKNZESRH-UHFFFAOYSA-N 245.713 2.974 30 20 BFED Cc1cc(C(=O)O[C@H](C)C#N)ccc1Cl 759391722 MKNCYSCNASDHEM-MRVPVSSYSA-N 223.659 2.717 30 20 BFED C=C(C)COC(=O)C[C@H](OCC)C(C)C 761056178 JZEFPXSIDCKTBT-NSHDSACASA-N 214.305 2.557 30 20 BFED COc1nccnc1NN=C1CCC[C@H]1C(C)C 763407729 GREFYSJWRISTLU-JTQLQIEISA-N 248.330 2.709 30 20 BFED C[C@H](OC(=O)C(C)(C)C#N)c1cccc(C#N)c1 764611295 ASSXIISHYMQNGB-JTQLQIEISA-N 242.278 2.712 30 20 BFED C[C@H](NN=C1CCN2CCC[C@H]12)c1ccccc1 765573157 XFDXSJMTIWIESG-SWLSCSKDSA-N 243.354 2.561 30 20 BFED CCO[C@H]1CCCC1=NNc1ncccc1C 766478735 USQXRYZQNWYATN-LBPRGKRZSA-N 233.315 2.747 30 20 BFED FC(F)(F)CNN=Cc1ccccc1Cl 769825357 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228.311 2.571 30 20 BFED CCON=C[C@](C)(CN(C)C)c1ccccc1 834936882 FJSSYQSRGATABK-CQSZACIVSA-N 234.343 2.528 30 20 BFED CC[C@H](C)[C@H](C=NNc1ncccc1F)OC 834977476 LHJAXDUTCJSZBN-ONGXEEELSA-N 239.294 2.680 30 20 BFED C[C@@H](CC#N)OC(=O)C1=CCC(C)(C)CC1 835158178 BZNWQFFCPIZRAN-JTQLQIEISA-N 221.300 2.968 30 20 BFED C#CCC[C@@H](C)OC(=O)c1ccc(C)c(C#N)c1 839037572 DCZUJOPYDUYVPM-GFCCVEGCSA-N 241.290 2.825 30 20 BFED Cc1ncccc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839051048 CXYAQQPJYFBNKL-VXGBXAGGSA-N 244.294 2.629 30 20 BFED C=C(C)CCNC(=S)N[C@H]1CCCC[C@@H]1C 840793601 VHFMZXHEKJQBGQ-RYUDHWBXSA-N 240.416 2.995 30 20 BFED CCC(=NOC[C@@H]1CCOC1)[C@@H]1CC1(C)C 841638601 SMHLQVGWUKBJDH-MNOVXSKESA-N 225.332 2.852 30 20 BFED CC(CCc1ccc(C)cc1)=NN(C)C[C@@H](C)O 841653739 RKDQJLDBNMCYDB-CQSZACIVSA-N 248.370 2.616 30 20 BFED C#C[C@H](OC(=O)CC(C)(C)OC)c1ccccc1 842364604 ZLMIVTNQKVKHRA-ZDUSSCGKSA-N 246.306 2.719 30 20 BFED C#CCCCCC(=O)OCCc1ccncc1C 842399695 XXTXACJQLUPRIA-UHFFFAOYSA-N 245.322 2.669 30 20 BFED 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20 BFED C#C[C@@H](C)NC(=O)N1Cc2ccccc2[C@@H]1CC 895678913 JAEYUIWPSWDRJH-RISCZKNCSA-N 242.322 2.685 30 20 BFED C#Cc1ccc(C(=O)N[C@H]2CC=CCC2)cc1 896458202 LQGGYDKKWUAIIO-AWEZNQCLSA-N 225.291 2.506 30 20 BFED C=C(C)CCNC(=O)C(C)(C)Nc1ccccc1 908928297 CMVSYJWQXQEKBA-UHFFFAOYSA-N 246.354 2.960 30 20 BFED C=C[C@H](CC)CC(=O)O[C@@H]1CCC(C)(C)C1=O 909526517 YXDOAXNQDQACBW-GHMZBOCLSA-N 238.327 2.890 30 20 BFED C=CCCC[C@H](N)C(=O)Nc1cc(C)ccc1C 911883119 QVWRJOOMCXRFOU-ZDUSSCGKSA-N 246.354 2.926 30 20 BFED CC(=NNc1ccccn1)c1ccccc1O 916276342 YACWWQJKTJYDIN-UHFFFAOYSA-N 227.267 2.623 30 20 BFED C#CCN(C(=O)N[C@@H]1CCCC1(C)C)C(C)C 921351106 AKAXZFMRYUJDSU-GFCCVEGCSA-N 236.359 2.618 30 20 BFED C=C(Cl)CN[C@H](CCCN)c1ccccc1 925568780 MUMBAYXMYJSZRF-CYBMUJFWSA-N 238.762 2.809 30 20 BFED C#CCN(C(=O)c1cc2ccsc2[nH]1)C(C)C 928628160 CYPAWAVLCBLHCB-UHFFFAOYSA-N 246.335 2.713 30 20 BFED C#CC(C)(C)NC(=O)[C@H](C)c1ccccc1C 932755597 ZKHWHSPHDFZNHZ-GFCCVEGCSA-N 229.323 2.627 30 20 BFED 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243.335 2.978 30 20 BFED CC[C@@H](NN=C1CCC[C@H]1CC(C)C)C(=O)O 1776067273 VQTYUKLQPXNDND-WDEREUQCSA-N 240.347 2.641 30 20 BFED CCOCCCN[C@H](C)c1ccc(C#N)cc1 19962909 XPADIMHHIJWOFY-GFCCVEGCSA-N 232.327 2.635 30 20 BFED C[C@@H](C1CC1)N(C)CCOc1cccc(C#N)c1 36785324 CWJXQSOZYYULJT-LBPRGKRZSA-N 244.338 2.667 30 20 BFED C[C@@H](CC#N)NCCSc1ccccc1 37904319 SGGTVVGAZUROEN-NSHDSACASA-N 220.341 2.670 30 20 BFED C[C@H](C#N)NC(=O)c1cccc(Cl)c1Cl 40350200 FCMQLQFVRYBSBD-ZCFIWIBFSA-N 243.093 2.635 30 20 BFED CCC[C@@H](C)NC(=O)NCc1cccc(C#N)c1 42317299 UORPLMLHVJMJQZ-LLVKDONJSA-N 245.326 2.546 30 20 BFED CCCCCC(=O)NCC#Cc1ccccc1 43789258 GGFBCBOGNARQBH-UHFFFAOYSA-N 229.323 2.735 30 20 BFED CCN(CC#N)C(=O)c1c(C)cc(C)cc1C 45049374 GYZXBWCCBSAWHN-UHFFFAOYSA-N 230.311 2.598 30 20 BFED CCC1(C)CCN(c2ncccc2C#N)CC1 60941583 ARIWPJVPOUPPJK-UHFFFAOYSA-N 229.327 2.970 30 20 BFED N#Cc1cc(N2CCCc3ccccc3C2)ccn1 62946033 JSZZYLKPRLXCFC-UHFFFAOYSA-N 249.317 2.906 30 20 BFED C[C@H](CC#N)N(C)C(=O)c1cc2c(s1)CCC2 63094116 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C=C(C)CN(CC)C(=O)c1ccccc1[N+](=O)[O-] 60624863 INVDGBSZHVDZRA-UHFFFAOYSA-N 248.282 2.633 30 20 BFED C=CCCC(=O)N[C@H]1CCOc2ccc(F)cc21 68165886 MMYNKVUNLDEDNR-LBPRGKRZSA-N 249.285 2.732 30 20 BFED C[C@H]1C[C@@H](Nc2cccc(OCC#N)c2)CCO1 70353125 JRZMKWWRAHVSDP-AAEUAGOBSA-N 246.310 2.568 30 20 BFED C=CCOC(=O)c1ccc(CC)c([N+](=O)[O-])c1 80118370 SGKPFLRKUXHPFK-UHFFFAOYSA-N 235.239 2.500 30 20 BFED N#Cc1ccccc1CNc1cccc(CO)c1 83365989 ROEMECQTNVAESA-UHFFFAOYSA-N 238.290 2.663 30 20 BFED CCN(CC#N)Cc1ccc2c(c1)CC(C)(C)O2 92398851 XWAZFJSTKVELIH-UHFFFAOYSA-N 244.338 2.746 30 20 BFED CC1(C)C(CNC(=O)C2(C#N)CCCC2)C1(C)C 92818547 KYUGFLGIDZCHMF-UHFFFAOYSA-N 248.370 2.869 30 20 BFED C#Cc1cccc(NC(=O)C[C@@H]2CCCCO2)c1 94815552 FCKGFKYEZHYGNL-AWEZNQCLSA-N 243.306 2.566 30 20 BFED CC(C)C[C@@H](CO)Nc1ccc(F)cc1C#N 111026699 UOOFZDKFNGOEQL-LBPRGKRZSA-N 236.290 2.516 30 20 BFED C=CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1 116858202 XGEMUKYPQOLGDP-VXGBXAGGSA-N 233.311 2.535 30 20 BFED C=CC[C@@H](C)NC(=O)N(CC)Cc1ccoc1 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20 BFED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ccccn1 134908900 NJOJSYQPFRIGDZ-RISCZKNCSA-N 232.327 2.861 30 20 BFED C[C@@H]1C[C@@H](C)N(c2ccc(C#N)cc2)C1 135477641 ZPJNXGCOVZMBHJ-GHMZBOCLSA-N 200.285 2.793 30 20 BFED CSC[C@H](C)NCc1ccc(C#N)cc1F 135511540 OLFRHCABSPACOC-VIFPVBQESA-N 238.331 2.538 30 20 BFED C=CCCC(=O)Nc1cnc(Cl)cc1C 135919016 AONZHDXWEYDHCF-UHFFFAOYSA-N 224.691 2.948 30 20 BFED CC[C@](C)(C#N)C(=O)Nc1cc(F)cc(F)c1 136176332 UKZDPWIDLDJAGY-GFCCVEGCSA-N 238.237 2.843 30 20 BFED CC[C@@H](C#N)C(=O)N[C@H]1CCCC(C)(C)C1 149814593 RGIUNUVRCLUQHL-QWRGUYRKSA-N 222.332 2.621 30 20 BFED C=C(C)CNC(=O)c1ccc(C)c(Cl)c1 153432120 OKOFKCIARDQEEJ-UHFFFAOYSA-N 223.703 2.954 30 20 BFED C=C(C)CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 155134520 LYTKZABUXLPSLN-UHFFFAOYSA-N 249.270 2.635 30 20 BFED CC#CCCOc1cc([N+](=O)[O-])ccc1C 155273420 TUSNAMDRRRXMRJ-UHFFFAOYSA-N 219.240 2.695 30 20 BFED CC#CCN(CC)CCc1ccccc1 157703465 YUWGITBVEOCOLE-UHFFFAOYSA-N 201.313 2.574 30 20 BFED CC#CCN(C)Cc1ccccc1N1CCCC1 158629520 FVODQLANKLDVDI-UHFFFAOYSA-N 242.366 2.742 30 20 BFED C#CCCCCNC(=O)N[C@H]1CCCC[C@H]1C 158999190 YDNUAVBHDGCQSP-OLZOCXBDSA-N 236.359 2.668 30 20 BFED CC#CCN(C)c1ccccc1OCC 159335129 UQDIKADFDRBJMI-UHFFFAOYSA-N 203.285 2.545 30 20 BFED C=CCSCCNC(=O)[C@@H]1CCC[C@@H](C)C1 162176942 IEKXPGVELMPLAZ-VXGBXAGGSA-N 241.400 2.848 30 20 BFED COC[C@H](NCc1ccc(C#N)cc1C)C(C)C 165322828 QKKZSYAVVXGLDA-HNNXBMFYSA-N 246.354 2.627 30 20 BFED C=CCN(CC=C)C(=O)C1C(C)(C)C1(C)C 173599945 DEUZCZLEAXATSX-UHFFFAOYSA-N 221.344 2.869 30 20 BFED Cc1cnc(COc2ccc(C#N)cc2C)o1 174136774 MKDXXNLDEMVRLN-UHFFFAOYSA-N 228.251 2.742 30 20 BFED C=CCCCC(=O)NCc1ccc(O)c(F)c1 175735371 VVJXNIKSGUEBHS-UHFFFAOYSA-N 237.274 2.504 30 20 BFED Cc1cncc(NC(=O)C2(C#N)CCCCC2)c1 176151185 DWFHIMKWXBEYCC-UHFFFAOYSA-N 243.310 2.803 30 20 BFED C=CCCCC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 177865420 FOASMJYYLBDYNP-JSGCOSHPSA-N 234.343 2.931 30 20 BFED CN(Cc1ccc(C#N)o1)C1CCCC1 179797536 GSOFKIMAPQUYGL-UHFFFAOYSA-N 204.273 2.526 30 20 BFED C[C@@H](NCCCC(C)(C)C#N)C1CCOCC1 179843487 KXYGILDSWOISJS-GFCCVEGCSA-N 238.375 2.721 30 20 BFED Cc1cccc(NC(=O)N(C)CCC#N)c1F 179927947 ZBJLHYXOKOZARB-UHFFFAOYSA-N 235.262 2.512 30 20 BFED CC#CCNc1ccc2c(C)cc(=O)oc2c1 182300594 NFPCXKDJOJWURN-UHFFFAOYSA-N 227.263 2.537 30 20 BFED CC#CCCCC(=O)N1CCC[C@@H]2CCC[C@H]21 185682393 UCQXDWUWQQHCNP-UONOGXRCSA-N 233.355 2.971 30 20 BFED C#CCC(C)(C)C(=O)N1CC[C@H](C)[C@@H](C)C1 185971799 VYCYQPBKQWXWTN-RYUDHWBXSA-N 221.344 2.540 30 20 BFED C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CCCO1 187642152 HWWSNSYUFFZAOE-DOMZBBRYSA-N 244.338 2.730 30 20 BFED C[C@H]1CCCC[C@H]1NCc1cc(C#N)n(C)c1 189576087 JTAJRVWYMUTKMW-SMDDNHRTSA-N 231.343 2.565 30 20 BFED C#CCCCC(=O)N1CCCc2ccccc21 192031326 JPMOVTDASUYOSO-UHFFFAOYSA-N 227.307 2.769 30 20 BFED CC(C)CCN(CCC#N)C[C@H]1CCC=CO1 193881290 MSGIDCXLTLHMBS-CQSZACIVSA-N 236.359 2.941 30 20 BFED C=C[C@H](C)NC(=O)c1cc(Cl)nc(CC)c1 229181354 RRKOUTKQIABUIX-QMMMGPOBSA-N 238.718 2.602 30 20 BFED C=CCN(c1nccc(C#N)c1Cl)C1CC1 236027910 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222.332 2.575 30 20 BFED Cc1ncc(N=C(O)[C@H]2CCCOCC2)s1 330154500 XUPSUXLMIDPLOK-VIFPVBQESA-N 240.328 2.856 30 20 BFED CCCc1nc(Cn2cc(C#N)c(C)n2)cs1 332740917 ZDLFHKBIDPMZBN-UHFFFAOYSA-N 246.339 2.521 30 20 BFED CC1(C)CCN([C@@H]2CC[C@H](C#N)C2)CCS1 334251807 ISSYEDJCQGQKCL-NWDGAFQWSA-N 238.400 2.896 30 20 BFED C[C@H](C#N)C(=O)N(C)c1ccc(F)c(Cl)c1 334538977 RLRABMBELKGLHE-SSDOTTSWSA-N 240.665 2.602 30 20 BFED C[C@H]1CCC[C@@](C#N)(NC(=O)CC2(C)CC2)C1 334663237 DQLYGLISSZLMSP-SMDDNHRTSA-N 234.343 2.765 30 20 BFED Cc1cc(C#N)c(=O)n(CCC2CCCC2)c1 335463884 VFFVKMOIOXXGSA-UHFFFAOYSA-N 230.311 2.609 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@H]1CCCc2c[nH]nc21 335606935 ZPPYWTZGYUDEGJ-NSHDSACASA-N 247.342 2.506 30 20 BFED CCOC1(C)CCN([C@H]2CC[C@H](C#N)C2)CC1 335702577 XLGFQXWAGDWZQT-STQMWFEESA-N 236.359 2.570 30 20 BFED C=C[C@@H]1CCCCN1c1ccc(C(C)=O)cn1 336092788 BFEOQQJMTKTAML-CYBMUJFWSA-N 230.311 2.829 30 20 BFED CC(C)C1CCC(N(C)C(=O)[C@H](C)C#N)CC1 336137479 NIAHRXMLCXRPKK-PNESKVBLSA-N 236.359 2.819 30 20 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232.327 2.521 30 20 BFED C=CCC(F)(F)C(=O)N[C@H]1CCC(F)(F)C1 815821985 ROLIQYGNVVMHCL-ZETCQYMHSA-N 239.212 2.502 30 20 BFED C=C(CC)CNc1cccc(CC(=O)O)c1 819706043 KEZPIMYRRBBUNN-UHFFFAOYSA-N 219.284 2.692 30 20 BFED C#C[C@H](CCC)NC(=O)N1CCC[C@@H](C)CC1 820636485 WKRGERLIHXEVFT-CHWSQXEVSA-N 236.359 2.620 30 20 BFED C#C[C@H](NC(=O)N(C)CCC=C)c1ccccc1 827235926 SYMGVDGLGQKOBX-AWEZNQCLSA-N 242.322 2.578 30 20 BFED C#CCCOC(=O)[C@H]1CCC(C)=C(C)C1 829810018 KMDFUHUGAPIXDY-LBPRGKRZSA-N 206.285 2.689 30 20 BFED COCCCON=C(C)c1csc(C)c1 834979532 KUCJYIWHYMVRFU-UHFFFAOYSA-N 227.329 2.834 30 20 BFED C[C@H](CC#N)OC(=O)C1=CCC(C)(C)CC1 835158180 BZNWQFFCPIZRAN-SNVBAGLBSA-N 221.300 2.968 30 20 BFED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccoc2)C1 839043709 KHCPOIXEEHNABO-MWLCHTKSSA-N 219.240 2.519 30 20 BFED N#C[C@H]1CCC[C@@H](OC(=O)CC2CCC2)C1 839051457 FQZXXWRWBUFBPB-NWDGAFQWSA-N 221.300 2.802 30 20 BFED C=CC(C)(C)COC(=O)C1SCCS1 842373325 XDXFIZJXOUMWCL-UHFFFAOYSA-N 232.370 2.548 30 20 BFED C=C[C@@H](C)ONC(=O)NCc1ccc(C)cc1C 845637769 FBVAGDNFVCODLG-GFCCVEGCSA-N 248.326 2.609 30 20 BFED C=C(C)CONC(=O)[C@@H](F)CC1CCCCC1 846533788 NDAXUYQRDBGJQJ-LBPRGKRZSA-N 243.322 2.919 30 20 BFED C=C(C)CONC(=O)C[C@@H]1CCC[C@@H](C)C1 846538997 BDKODQKCOKZGQW-VXGBXAGGSA-N 225.332 2.827 30 20 BFED C=C[C@H](C)ONC(=O)CCSCCCC 846544279 GDAMLUXZILRBPQ-JTQLQIEISA-N 231.361 2.532 30 20 BFED C=C[C@H](C)ONC(=O)c1scnc1C(C)C 846554273 JFOKIKYDQMCEOG-QMMMGPOBSA-N 240.328 2.502 30 20 BFED CCCCCCNc1ccc(C#N)c(N)n1 848640192 IUHKPCLUHGPPKG-UHFFFAOYSA-N 218.304 2.528 30 20 BFED CC#CCCOC(=O)[C@H]1CCc2cc(F)ccc21 850271063 PVYHEZLAZSGKGJ-AWEZNQCLSA-N 246.281 2.812 30 20 BFED CCCC[C@@](C)(F)C(=O)OC[C@@H](C)C#N 850899271 HZZDZUHKMKDHEB-GXSJLCMTSA-N 215.268 2.608 30 20 BFED C=CCCC(C)(C)NC(=O)OC1CCOCC1 851876011 VLLRWCNXHXOPMK-UHFFFAOYSA-N 241.331 2.636 30 20 BFED Cc1cc(CN(C2CC2)[C@H](C)C#N)cc(Cl)n1 852482616 ZWUOMKATRSDQKX-SNVBAGLBSA-N 249.745 2.920 30 20 BFED CC[C@H](C#N)OC(=O)c1ccsc1Cl 853111377 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2.646 30 20 BFED C=CC1(OC(=O)[C@H]2CCOc3ccccc32)CC1 893365419 LQQZDMBQQSYLDS-LBPRGKRZSA-N 244.290 2.815 30 20 BFED CCC#CCOC(=O)c1ccc(C)c(C(C)=O)c1 893839827 AFHMJZWSMVKECB-UHFFFAOYSA-N 244.290 2.768 30 20 BFED Cc1cc(C#N)nc(N2CCC[C@H](C3CC3)C2)c1 893882665 INKAZWZTKAQDCF-ZDUSSCGKSA-N 241.338 2.888 30 20 BFED C=CCCc1noc(-c2ccn(CC(C)C)n2)n1 896386614 MOGRNTFJAQNWCB-UHFFFAOYSA-N 246.314 2.708 30 20 BFED C=CCCCc1nc(C2(SC)CC2)no1 896783097 HUGIOLHBDICMIK-UHFFFAOYSA-N 224.329 2.930 30 20 BFED C=C(C)C[C@@H](NC1CCC(C)(C)CC1)C(=O)O 901678795 JSWNPYUUVKSRNO-GFCCVEGCSA-N 239.359 2.964 30 20 BFED CNc1ccccc1CNCCCCC#N 902193574 CKZSUZMGLNAFMN-UHFFFAOYSA-N 217.316 2.512 30 20 BFED C=C[C@H](CC)CC(=O)OCc1cncs1 904186632 AGTHWZINWKCGHA-SECBINFHSA-N 225.313 2.789 30 20 BFED C=CCC1(C(=O)NN2CCCC[C@H]2C)CCC1 912139848 BGINACICSHSCCI-GFCCVEGCSA-N 236.359 2.638 30 20 BFED C[C@@](O)(CSc1ccc(C#N)cc1)C(F)F 916730989 RBFCPBLTVAPZKX-LLVKDONJSA-N 243.278 2.666 30 20 BFED C#CCN(C(=O)c1ccn(C(C)C)c1C)C(C)C 928624822 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241.294 2.784 30 20 BFED C=CCCC(=NNC(=S)NC(C)C)C1CC1 1324267400 QFDAJVGTTUEKJJ-UHFFFAOYSA-N 239.388 2.591 30 20 BFED COc1cc(O)ccc1C=NNCC1CCCC1 1325255915 UVBMVDCCBRQSJW-UHFFFAOYSA-N 248.326 2.515 30 20 BFED C=C(C)CN(CC)C(=O)Nc1nc(C)ncc1C 1330502995 DDAGXPXNXRBKET-UHFFFAOYSA-N 248.330 2.523 30 20 BFED C#Cc1cccnc1NC[C@@H]1CCC[C@H]1C 1330664190 FDDLJIPLTQXGJU-YPMHNXCESA-N 214.312 2.911 30 20 BFED Cc1nnn(N=C[C@@H]2CCCC(C)(C)C2)c1C 1331336697 SRIXWYPMEQAMHV-GFCCVEGCSA-N 234.347 2.945 30 20 BFED Cc1cc(C#N)cc(NC(=O)C(C)(C)C2CC2)n1 1332470739 PASPFAXCUXDDQQ-UHFFFAOYSA-N 243.310 2.636 30 20 BFED C=C(C)CCC(=O)NC[C@H](CC(C)C)OC 1337267280 INJJKBAFLOHGQQ-LBPRGKRZSA-N 227.348 2.520 30 20 BFED C=C[C@H](CC)OC(=O)c1cc(O)nc(CCC)c1 1343165953 LGBUOSFYUHGVDY-GFCCVEGCSA-N 249.310 2.861 30 20 BFED C=C(C)CCC(=O)N(C)CCc1nccs1 1353621367 UEQOLTRQVZEVJK-UHFFFAOYSA-N 238.356 2.500 30 20 BFED CC(C)(C#N)CC(=O)N1CC(C)(C)C1(C)C 1545134374 ONJGIJPVTYMZBF-UHFFFAOYSA-N 222.332 2.573 30 20 BFED N#Cc1cccc(Sc2cnc(F)cn2)c1 1650834321 CRAQXVQKGOMKKK-UHFFFAOYSA-N 231.255 2.639 30 20 BFED N#CCNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 34485657 FCEQQFKEGCCEFS-ZIAGYGMSSA-N 242.322 2.600 30 20 BFED CC1CCN(CCOc2cccc(C#N)c2)CC1 34673832 XWWUXOVMXKFYHY-UHFFFAOYSA-N 244.338 2.669 30 20 BFED N#Cc1ccc(OCc2nccn2C(F)F)cc1 36804796 SVYMXGGKZWZAAJ-UHFFFAOYSA-N 249.220 2.729 30 20 BFED CC(C)C[C@@H](C)Nc1ncccc1C#N 37265088 VRQLDKOPNPCILH-SNVBAGLBSA-N 203.289 2.800 30 20 BFED Cc1nc(COc2cccc(C#N)c2)oc1C 37909472 FVUGYRLZXPGVRF-UHFFFAOYSA-N 228.251 2.742 30 20 BFED Cc1cc(C)c(C#N)c(N(C)[C@H](C)C2CC2)n1 40431655 OEJAAWJPDHSJSJ-LLVKDONJSA-N 229.327 2.805 30 20 BFED CC(C)c1ccc(CNC(=O)[C@@H](C)C#N)cc1 45047032 LXFRDHXZUYRIPL-NSHDSACASA-N 230.311 2.586 30 20 BFED CN(CCCCC#N)c1ccccc1F 50004057 MFYFJZCBSCRZFP-UHFFFAOYSA-N 206.264 2.956 30 20 BFED C#CCN(CC)C(=O)Nc1ccccc1Cl 56517448 JACKESARWBDZGM-UHFFFAOYSA-N 236.702 2.827 30 20 BFED CC(=O)[C@@H](C)SCc1ccccc1C#N 58239644 LNWDXBMXHMZPDU-SNVBAGLBSA-N 219.309 2.769 30 20 BFED C[C@@H](C#N)CN(C)Cc1ncc(C(C)(C)C)o1 64795260 LANKQINZGBMHLK-JTQLQIEISA-N 235.331 2.564 30 20 BFED CC[C@@H](COC)Nc1cccc(F)c1C#N 70623887 ZHPYGJJQBMSXKC-VIFPVBQESA-N 222.263 2.534 30 20 BFED C=C(Cl)CN1CCOC[C@H]1c1ccccc1 76119674 AVJUXRBOVHVHGB-ZDUSSCGKSA-N 237.730 2.812 30 20 BFED COc1cc(C#N)ccc1OC(=O)OC(C)(C)C 78574017 BCDZXBMDVYKUEG-UHFFFAOYSA-N 249.266 2.881 30 20 BFED CC(C)CCO[C@@H]1CCN(CCCCC#N)C1 83252172 LYQAZBVQLPNVCW-CQSZACIVSA-N 238.375 2.817 30 20 BFED Cc1ccsc1CNCC1(CC#N)CC1 87310177 MDVVNYSBIHBUJI-UHFFFAOYSA-N 220.341 2.840 30 20 BFED C=C(C)CN(CC)C(=O)c1cnn(C(C)C)c1C 92279036 HULJRNKPSRQTIZ-UHFFFAOYSA-N 249.358 2.811 30 20 BFED CC[C@H](CC(=O)Nc1ccc(C#N)cn1)C(C)C 110286832 CACIBOVKYJBVSD-GFCCVEGCSA-N 245.326 2.964 30 20 BFED C=CC[C@H](C)NC(=O)Nc1ccc(F)cc1 116931786 DITBYUZWCYJZNI-VIFPVBQESA-N 222.263 2.912 30 20 BFED CC#CCN1CCCC[C@@H](SCC)C1 119794279 OJJQOHAFLPOQLI-GFCCVEGCSA-N 211.374 2.617 30 20 BFED C=C(C)CN(CC)CCc1ccncc1 120991451 BTMPFRYKAJZNGR-UHFFFAOYSA-N 204.317 2.522 30 20 BFED C=C(Cl)CN(C)c1ccc2c(c1)OCO2 121250417 JZROAGWTUIMQDU-UHFFFAOYSA-N 225.675 2.604 30 20 BFED CCCCCCCCNC(=O)COC(C)C 123577751 HYWOENBWWAMVJG-UHFFFAOYSA-N 229.364 2.888 30 20 BFED CC[C@H](CC#N)N[C@H](COC)Cc1ccccc1 131234123 VNEXJTJFQQJHGY-CABCVRRESA-N 246.354 2.526 30 20 BFED Cc1cc(F)cc(C(=O)NCCCCC#N)c1 134788651 BDIRXYKYKKPKCU-UHFFFAOYSA-N 234.274 2.558 30 20 BFED N#Cc1ccc(N[C@H]2CCC[C@H]3OCC[C@H]23)cc1 153254478 NNBZLOGFFKMAKQ-QLFBSQMISA-N 242.322 2.928 30 20 BFED C=C(C)CNC(=O)NC[C@H]1CCCC[C@@H]1C 156319108 LPHVYUDFJVJELT-NWDGAFQWSA-N 224.348 2.688 30 20 BFED C=CC[C@H](C)NCc1ccccc1NC(C)=O 158632417 JPTQBBFAITVZRY-NSHDSACASA-N 232.327 2.699 30 20 BFED CC#CCN1CCC[C@@H]1c1cccc(C)n1 160025614 CGNWVFFMOSZKKI-CQSZACIVSA-N 214.312 2.550 30 20 BFED C=CCN(C)C(=O)C[C@@H](C)c1ccccc1OC 161854690 KTJSYQUGKDAULV-GFCCVEGCSA-N 247.338 2.833 30 20 BFED Cc1cc(CNCCCCC#N)ccc1F 163875025 GACLGODAIXZPBI-UHFFFAOYSA-N 220.291 2.918 30 20 BFED C=C[C@H](C)NC(=O)Nc1ccc(CC)cc1 164500286 XRXNAWYFKBQRNU-JTQLQIEISA-N 218.300 2.945 30 20 BFED Cc1cc(C(=O)/C=C/c2ccc(F)cc2)n(C)n1 165176798 SYBOFMCHFUQFRS-VMPITWQZSA-N 244.269 2.764 30 20 BFED CN(CCC1CC1)c1ccc([N+](=O)[O-])c(C#N)c1 167242902 PDWWFCRJEKBPKN-UHFFFAOYSA-N 245.282 2.703 30 20 BFED C=CCCCN1CCC[C@@H](N2CCCC2)CC1 172576412 UJWGRGUGLADUIP-OAHLLOKOSA-N 236.403 2.903 30 20 BFED Cn1c(-c2ccc(C#N)o2)nc2cc(F)ccc21 173743894 QCROPZGUWRBVFX-UHFFFAOYSA-N 241.225 2.844 30 20 BFED C=C(C)CN1CCC(NC2CCCCC2)CC1 174363124 WVBPODMAEYOTML-UHFFFAOYSA-N 236.403 2.949 30 20 BFED N#Cc1ccc(CCC(=O)OCC2CCC2)cc1 174535244 UPWMJYVJWOZRTM-UHFFFAOYSA-N 243.306 2.834 30 20 BFED C[C@@H]1CCCC[C@H]1NC(=O)C#Cc1ccccc1 174886604 AWKZOAYZICDVCM-UKRRQHHQSA-N 241.334 2.733 30 20 BFED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1C 175748673 IHUUULCLAGKRDC-LLVKDONJSA-N 243.310 2.883 30 20 BFED CN(C(=O)[C@@H]1C[C@H]1C1CC1)c1cccc(C#N)c1 176900966 FIYLHEQMMSNVMF-UONOGXRCSA-N 240.306 2.567 30 20 BFED C=C(C)COC(=O)c1ccc(F)cc1C 178286675 RBPALPRMIKCSFX-UHFFFAOYSA-N 208.232 2.867 30 20 BFED C=CCN(CC=C)Cc1cc(F)ccc1O 179867857 UGURNSULJORNOH-UHFFFAOYSA-N 221.275 2.705 30 20 BFED CCCN(Cc1cc(C#N)cs1)C1CC1 180098848 QCKDLPHWHADQOU-UHFFFAOYSA-N 220.341 2.994 30 20 BFED C=C(C)CN(C)C(=O)c1ccc(C(C)=O)cc1 180468857 OCMAZNXRLSSOMA-UHFFFAOYSA-N 231.295 2.537 30 20 BFED C=CCCC[C@H](C)NC(=O)NCCCCC#N 180699798 HQGHIPOYRBCQRA-LBPRGKRZSA-N 237.347 2.724 30 20 BFED C=C(C)CN(C)Cc1cccc(COC)c1 181301743 KKFLTRPRKZHNJA-UHFFFAOYSA-N 219.328 2.841 30 20 BFED C=C(C)CN(CC)C(=O)[C@@H]1CCO[C@H](CC)C1 182808249 VKBFOOFRUJOXPA-CHWSQXEVSA-N 239.359 2.616 30 20 BFED N#C[C@H]1CCC[C@H](NCc2ccc(F)cc2)C1 185709729 ODEJTYABQWZIDU-JSGCOSHPSA-N 232.302 2.998 30 20 BFED CCN1CCCC[C@H]1CN[C@@H]1CCC[C@H](C#N)C1 185828104 ZIRKMFRXZVIPSS-ZNMIVQPWSA-N 249.402 2.533 30 20 BFED C#CCCCNCc1c(O)cccc1Cl 230705783 RBAKTDKHLRPXRI-UHFFFAOYSA-N 223.703 2.549 30 20 BFED CCCCOc1cc(C#N)cc(OC)c1 232988257 ADDLKWBFQQWCLJ-UHFFFAOYSA-N 205.257 2.746 30 20 BFED CCCCCCC[C@H](C)CNC(=O)C1(N)CC1 236640900 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Cc1cscc1-c1noc(C(C)(C)C#N)n1 277902059 IBTRNIHIVZEWQN-UHFFFAOYSA-N 233.296 2.908 30 20 BFED C=CCN1CC[C@@H](Sc2ccc(C)cc2)C1=O 281023016 PRTGHVSHKGEXNF-CYBMUJFWSA-N 247.363 2.874 30 20 BFED C=CCN(CC=C)Cc1cn(C(C)C)nc1C 281648356 PLIPQBCASMIKHO-UHFFFAOYSA-N 233.359 2.946 30 20 BFED C#C[C@H](NC(=O)/C=C/C(=C\C)CC)C(C)C 282275715 WPTWVLMDEAASHK-XWECHGCBSA-N 219.328 2.673 30 20 BFED CC[C@H](C)CCC(=O)NCC#Cc1ccccc1 285014716 BMUXXSUUDDVVOD-AWEZNQCLSA-N 243.350 2.981 30 20 BFED C=C(C)CCc1noc(COc2cccnc2)n1 285125854 NAOQTQMPRMMGKM-UHFFFAOYSA-N 245.282 2.552 30 20 BFED C#C[C@H](C)NC(=O)Nc1nc(C2CCC2)cs1 286985591 BHWDUMPMMBHPRG-QMMMGPOBSA-N 249.339 2.554 30 20 BFED C=CCCCCCCNCc1cnn(C)c1 290099848 KCNYTOSNNYKYMP-UHFFFAOYSA-N 221.348 2.646 30 20 BFED C=CCN(CCC#N)Cc1ccc2c(c1)CCO2 292891428 YYDWXZYVVLMECG-UHFFFAOYSA-N 242.322 2.523 30 20 BFED Cc1ccccc1[C@@H](C)NCCOCCC#N 293892572 VIBALZCFSIKKOL-CYBMUJFWSA-N 232.327 2.576 30 20 BFED C=CC(C)(C)C(=O)Nc1cc(C)cc(C)n1 295249707 GSVLRPJUFZNCCH-UHFFFAOYSA-N 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C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)CCC 447372739 KGJGGZCSJJLUAT-YNEHKIRRSA-N 239.359 2.615 30 20 BFED C=CC[C@H](C)[C@@H](C)NC[C@@](C)(CC)OC 449470166 ADQAEGAAWKRRJG-YNEHKIRRSA-N 213.365 2.992 30 20 BFED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)C1CCCC1 449545938 AIBDSVUKDHVCCF-YUTCNCBUSA-N 223.360 2.888 30 20 BFED C=CC(C)(C)CNC(=O)NC[C@@H]1C[C@H]1CC 455389306 NENIQHLTSJQTGU-MNOVXSKESA-N 224.348 2.544 30 20 BFED CC#CCCCC(=O)Nc1cccc(CC#N)c1 456763819 ZZQFLHRSDXNRQY-UHFFFAOYSA-N 240.306 2.885 30 20 BFED C=CC(C)(C)CN[C@@H]1C[C@@H](OCC)[C@H]1SC 459575000 KCOVGBNNQZBZNN-UTUOFQBUSA-N 243.416 2.697 30 20 BFED C#C[C@H](NCc1ccc2c(n1)CCC2)C(C)(C)C 491372336 IVMXYFNXPYQXRT-HNNXBMFYSA-N 242.366 2.708 30 20 BFED C#C[C@H](CC)NC(=O)[C@@H](C)c1cccc(Cl)c1 491395985 WBBFOGAFWJOPKM-GXFFZTMASA-N 249.741 2.972 30 20 BFED C[C@H](c1cccc(C#N)c1)N(C)CC(F)F 491486632 PAHZHCSUMBOBIJ-SECBINFHSA-N 224.254 2.816 30 20 BFED C#C[C@@H](NC(=O)C(C)(C)CC)C(C)(C)C 491731099 KEKVVDQGMGYRKE-SNVBAGLBSA-N 209.333 2.587 30 20 BFED 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C=CCCCCN[C@H]1CCC[C@H]1C(=O)OCC 578486045 XSJPDUTXRKOTEF-OLZOCXBDSA-N 239.359 2.664 30 20 BFED C=CCCCCN1CCC[C@@H](N(C)C)CC1 581707429 AVLCWOMVOXLKHT-CQSZACIVSA-N 224.392 2.759 30 20 BFED CC(C)(CCC#N)CNC(=O)[C@@H]1CC12CCC2 588177834 FDBNHAVSVHZYNT-NSHDSACASA-N 234.343 2.623 30 20 BFED C=CCCCCCN(C)C(=O)[C@@H](C#N)CC 593485401 UGZCJEWPSUQNDC-GFCCVEGCSA-N 222.332 2.741 30 20 BFED C[C@@H]1CCCCN1C(=O)N1CCC(C)(C#N)CC1 594462857 NGQYKOXDRHULOD-GFCCVEGCSA-N 249.358 2.606 30 20 BFED C=CCCSCc1cn(C(C)(C)C)nn1 596343347 UGLPLIPAAOBIFD-UHFFFAOYSA-N 225.361 2.842 30 20 BFED Cc1cc(C#N)ccc1CSCC[C@@H](C)O 596406369 FJEQEBQWDVZQCX-LLVKDONJSA-N 235.352 2.871 30 20 BFED C[C@@H](O)CCSCc1ccc(CC#N)cc1 596408617 QNNHASLSYYDYHD-LLVKDONJSA-N 235.352 2.757 30 20 BFED C=CC(C)(C)C(=O)NCCC1(CSC)CC1 597986337 DJVYHCKOEHQCJB-UHFFFAOYSA-N 241.400 2.848 30 20 BFED C[C@H](C(=O)N(C1CC1)[C@@H](C)C#N)c1ccccc1 598134765 YHTBFPFDCRFCQF-RYUDHWBXSA-N 242.322 2.693 30 20 BFED CCN(C(=O)c1cc(C)ccc1C)[C@@H](C)C#N 598347577 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238.693 2.778 30 20 BFED CCc1cccc(CN2CC[C@](F)(C#N)C2)c1 615800488 SUABEJFHRFQTHX-AWEZNQCLSA-N 232.302 2.687 30 20 BFED C=CCCC(C)(C)NC(=O)c1cccnc1OC 620863392 RSLSKPLYHQGZJQ-UHFFFAOYSA-N 248.326 2.565 30 20 BFED C=CCCCCn1cc(-c2cccnc2)nn1 640939002 IQOXAZRBCOEONI-UHFFFAOYSA-N 228.299 2.696 30 20 BFED CCC#C[C@H](C)Sc1nnc(CC)o1 641562535 UCRFZBRRWQFVOC-QMMMGPOBSA-N 210.302 2.526 30 20 BFED C=CCC1(C(=O)N2CC(F)(F)C2)CCCCC1 649353676 DHVPPRNGGUITGS-UHFFFAOYSA-N 243.297 2.991 30 20 BFED CC#CCN(C)C(=O)[C@H](C)c1ccc(Cl)cc1 652371086 GZHJCPSAVYHGQJ-LLVKDONJSA-N 249.741 2.925 30 20 BFED C=CCCCCNC(=O)NC1(C)CC=CC1 654533542 KGCLQHCVHJNEPD-UHFFFAOYSA-N 222.332 2.751 30 20 BFED C=CCC1(NCc2ccc(C)o2)CCOCC1 657633284 SSVXPBVREUFADS-UHFFFAOYSA-N 235.327 2.803 30 20 BFED C=C[C@@H](C)NC(=O)N[C@@H]1CC[C@@H]1c1ccccc1 660882198 UUVYTWIUOYZMSQ-MRVWCRGKSA-N 244.338 2.806 30 20 BFED C=CC[C@H]1CCCC[C@@H]1NCCCCC(=O)O 692241402 UCEWBFZTXRVGFI-STQMWFEESA-N 239.359 2.966 30 20 BFED CCCCCCCN(C1CCC1)C1CNC1 695061115 WKMUKMWNTZENRL-UHFFFAOYSA-N 224.392 2.783 30 20 BFED C=CCCSCCN[C@@H](C)C[C@@H]1CCOC1 710190894 FZVOIQYLPZBKSN-STQMWFEESA-N 243.416 2.700 30 20 BFED CC[C@@](C)(C#N)C(=O)N1CC[C@@H](C)C[C@@H](C)C1 723838687 YMVRGCSFEJHJSR-BZPMIXESSA-N 236.359 2.821 30 20 BFED CC(=NNc1cnccn1)c1ccc(F)cc1C 731313944 RIBYXWBUNSGODW-UHFFFAOYSA-N 244.273 2.760 30 20 BFED C#CCN1CCCc2c(C)ccc(F)c21 731669247 QUGNQAYEXUCYNZ-UHFFFAOYSA-N 203.260 2.520 30 20 BFED CC1=CC(=NNc2nccnc2Cl)CC1 733079380 IXYAMMGVOAOVGV-UHFFFAOYSA-N 222.679 2.638 30 20 BFED Cc1cccc(C)c1C(=O)OCCCC#N 738712200 XLZZPKPUQBTHRI-UHFFFAOYSA-N 217.268 2.764 30 20 BFED CC#CCOC(=O)[C@@H]1CCSc2ccccc21 745429234 VUQLGTTVAQYQBV-GFCCVEGCSA-N 246.331 2.833 30 20 BFED CCN(C[C@H](C)C#N)C[C@@H]1CC1(Cl)Cl 750283169 BOHILPSZCIWDTE-BDAKNGLRSA-N 235.158 2.662 30 20 BFED C#C[C@H](CC)NC(=O)C[C@H]1CCCC[C@H]1C 754389234 YHRVAHZWPFRBPR-JHJVBQTASA-N 221.344 2.731 30 20 BFED Cc1cc(C=NO[C@H]2CCCCO2)cc(C)c1O 755814635 NICUGYGOEJNRDI-ZDUSSCGKSA-N 249.310 2.886 30 20 BFED C#CC[C@@H](Nc1ncccn1)c1ccccc1 756957179 LCBPOWOEPHBXPP-CYBMUJFWSA-N 223.279 2.653 30 20 BFED CCC[C@H](C)C=NNc1ccc(C(=O)O)cn1 763371681 HYIZQKKTSMBJMH-VIFPVBQESA-N 235.287 2.614 30 20 BFED COc1nccnc1NN=C1CCCCC1(C)C 763412542 QNHUNXMZPSNWLX-UHFFFAOYSA-N 248.330 2.853 30 20 BFED CC(CCCC(C)C)=NN1CCOCC1 764657265 HBWJQAXZASXZAZ-UHFFFAOYSA-N 212.337 2.521 30 20 BFED CCO[C@@H]1CCCC1=NNc1cc(C)ccn1 766455498 QBQUEKMNMILEGC-GFCCVEGCSA-N 233.315 2.747 30 20 BFED CC1(C)C(=Nn2cnnc2)C[C@@H]1c1ccccc1 768486993 SWTKXKUZKNCUFQ-GFCCVEGCSA-N 240.310 2.696 30 20 BFED CC(C)=CCCC(C)=NN1CCCC1=O 769587797 ASQNIKFESXEGRL-UHFFFAOYSA-N 208.305 2.731 30 20 BFED CC(CCCC(C)C)=NNC[C@@H](C)C#N 771095457 APTJVBUEGPCURY-NSHDSACASA-N 209.337 2.938 30 20 BFED CCOCCON=C1C[C@H](OC)C1(CC)CC 774423678 WZBVUIDGEWSAOU-LBPRGKRZSA-N 243.347 2.621 30 20 BFED N#CC1(COC(=O)c2cc3occc3s2)CC1 775858990 FSUHUGQYLNNTKZ-UHFFFAOYSA-N 247.275 2.955 30 20 BFED CC(C)(C#N)CCOC(=O)[C@H]1C[C@H]2CC[C@H]1C2 776369262 KSHXQVPZQPDSAO-SRVKXCTJSA-N 235.327 2.906 30 20 BFED CC(=NN=c1cc[nH]cc1)c1c(F)cccc1F 779808267 FDDHWPMKWAMMAD-UHFFFAOYSA-N 247.248 2.618 30 20 BFED Cc1ccc(C2CC(=NN[C@H]3CCOC3)C2)cc1 788455944 JCWKDWBOMDKIPZ-KZUDCZAMSA-N 244.338 2.607 30 20 BFED CCCC=NNc1cccc([N+](=O)[O-])c1 793110423 ZAMJLNMTRAPXCV-UHFFFAOYSA-N 207.233 2.793 30 20 BFED Clc1cccc(NN=Cc2ccncc2)n1 793180826 AZWJAWSMVGGGAC-UHFFFAOYSA-N 232.674 2.576 30 20 BFED C=CCCCCC[C@@H](C)NCC1(C)OCCO1 793545164 HUUSYPVKDXRMCY-CYBMUJFWSA-N 241.375 2.864 30 20 BFED C=CCNN=C(Cc1ccccc1)C(F)F 795002829 AGCGCENGBBXZAW-UHFFFAOYSA-N 224.254 2.626 30 20 BFED C=CCCCC(=O)Oc1ccc2oc(=O)oc2c1 799417368 MFJWYMNIFCBZPY-UHFFFAOYSA-N 248.234 2.648 30 20 BFED CCCNN=C(C)c1coc(C(C)C)n1 799477775 YQPJNNZKZGPHKF-UHFFFAOYSA-N 209.293 2.522 30 20 BFED CC(C)SCCOC(=O)c1cccc(C#N)c1 803222589 YWCCNZJIMUCIMK-UHFFFAOYSA-N 249.335 2.857 30 20 BFED C=CCCO[C@@H](C)C(=O)OCCSC(C)C 803320728 ZPYQTZPAKXSIRG-NSHDSACASA-N 246.372 2.652 30 20 BFED COc1cccc(F)c1C(C)=NOCC1CC1 814243801 OAVGJVQRQCRZRJ-UHFFFAOYSA-N 237.274 2.985 30 20 BFED N#CC1(COC(=O)[C@@H]2CC3CCC2CC3)CC1 814498768 XAWSRVCDJCZFEB-HTAVTVPLSA-N 233.311 2.660 30 20 BFED Fc1cc(NN=C2CC3(CC3)C2)ccn1 814902914 YVHZAVWALKVRPD-UHFFFAOYSA-N 205.236 2.563 30 20 BFED CC(=NOC1CCC1)c1ccc(C)nc1C 814937190 XKTOLNZWBCSRAJ-UHFFFAOYSA-N 218.300 2.992 30 20 BFED C=CCOCCNC(C)(C)c1ccc(F)cc1 815069127 PUYQFBVQLXIPLA-UHFFFAOYSA-N 237.318 2.853 30 20 BFED C=CCCCNc1cccc(-c2nn[nH]n2)c1C 819740329 XYVCUDXSMQYSQI-UHFFFAOYSA-N 243.314 2.553 30 20 BFED C#C[C@@H](CC)NC(=O)NC(C)(C)CC(C)(C)C 821567736 VVIGGNYNRDAQBN-NSHDSACASA-N 238.375 2.912 30 20 BFED C=C(C)CCOC(=O)C1(C)CCC(=O)CC1 835189993 QZUATMJPHFAIDR-UHFFFAOYSA-N 224.300 2.645 30 20 BFED C=CCCC[C@@H](C)OC(=O)[C@@H]1CCO[C@H]1C=C 835268707 ISNQDMLKBLYVNX-UPJWGTAASA-N 238.327 2.866 30 20 BFED C=CC(C)(C)COC(=O)[C@@](C)(CC)OC 835722779 WNZWFHVHTCXFLD-GFCCVEGCSA-N 214.305 2.557 30 20 BFED C=CC(C)(C)C(=O)OCCCOC(C)(C)C 837865281 YHPNLOBQUGUYKS-UHFFFAOYSA-N 228.332 2.947 30 20 BFED CCC(=NNc1ccc(OC)cn1)[C@H]1C[C@H]1C 841638911 XCXLHFBLNBQHCL-KOLCDFICSA-N 233.315 2.924 30 20 BFED C[C@H](O)CN(C)N=CCC[C@H]1C[C@H]2CC[C@H]1C2 841650393 NXLLEUKRYGOZHH-CRWXNKLISA-N 238.375 2.501 30 20 BFED C/C(C=NN1CCC[C@H]1CO)=C/c1ccccc1 841660625 FTTJTVIPRONUIO-UXKSGMMRSA-N 244.338 2.532 30 20 BFED CC(C)CCC(=N)NOCC1(C#N)CCC1 842026551 GZQUYPIZFYBWSS-UHFFFAOYSA-N 223.320 2.615 30 20 BFED C(=NN[C@H]1CCSC1)c1cccc2c1CCC2 844598407 XUTMRJLTQGWDEA-ZDUSSCGKSA-N 246.379 2.604 30 20 BFED C/C(=C/c1ccco1)C(=O)N[C@@H](C#N)CC(C)C 846945734 PUJHFVIADRXXRG-NXIHDVOMSA-N 246.310 2.737 30 20 BFED C=CCCCCCCCN/C(=N/C)NC1CC1 849084793 MOWYXFVTLYWQDV-UHFFFAOYSA-N 237.391 2.840 30 20 BFED C#CCOc1ccccc1NCC1(CC#N)CC1 849315889 LDLRAGCJPAUQFZ-UHFFFAOYSA-N 240.306 2.804 30 20 BFED COC1(C(C)=NNc2ccc(C)cn2)CCC1 853300770 CIJBNZMNLMAUFB-UHFFFAOYSA-N 233.315 2.747 30 20 BFED CO[C@H](C=NNc1ncccc1C)C1CCCC1 853338088 BMBFURRRLNVYMV-CYBMUJFWSA-N 247.342 2.993 30 20 BFED C=CCCCC(=O)NCCc1ccc(C#N)cc1 855225179 MWFJBJYPOCAOFV-UHFFFAOYSA-N 242.322 2.573 30 20 BFED C=CCCONC(=O)C1CCC2(CC1)CC2 856028363 RRPQJFNXOJINOB-UHFFFAOYSA-N 223.316 2.581 30 20 BFED CCCCCCCNC(=O)N1CC[C@@H](F)C1 858114011 SJSQJZVLWQHXGS-LLVKDONJSA-N 230.327 2.710 30 20 BFED C#CC[C@H](CCOC)NCc1cccc(CC)c1 858334784 RPLZSCZGEGIPHO-MRXNPFEDSA-N 245.366 2.767 30 20 BFED C#CCCOC(=O)NC[C@H](C)c1cccc(C)c1 859015221 IKNXMMKFEGMISX-ZDUSSCGKSA-N 245.322 2.848 30 20 BFED CCC(C#N)(CC)C(=O)OC[C@]1(C)C[C@H]1F 860837319 BRUJJZWHMIOSJI-KOLCDFICSA-N 227.279 2.608 30 20 BFED C=CCCONC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 862217750 QNHJYMBCPJPHKE-UONOGXRCSA-N 245.322 2.722 30 20 BFED CCCCCCCNC(=O)[C@@H](C)[C@H](C)COC 862355646 MAXROPNFRDSQBP-OLZOCXBDSA-N 243.391 2.992 30 20 BFED C/C(=C\C1CCC(C)CC1)C(=O)OCC#N 869771569 FEECOTSSLIGJEU-PKNBQFBNSA-N 221.300 2.826 30 20 BFED C#C[C@@H](CC)OC(=O)c1ccc(C)c(F)c1F 870291882 OZTXBIAGFCHPJZ-VIFPVBQESA-N 238.233 2.842 30 20 BFED C=C[C@@H](CC)OC(=O)C1(C)CC(F)(F)C1 873515334 DVOZAMNYYUHHCW-QMMMGPOBSA-N 218.243 2.930 30 20 BFED C#CCCCCCCNC[C@@H]1CCN(C2CC2)C1 876929886 OPWRPPKVBWNROQ-HNNXBMFYSA-N 248.414 2.644 30 20 BFED C=CC1(OC(=O)c2ccnc(C3CC3)c2)CC1 893363769 DWEZHGHTXOIWGM-UHFFFAOYSA-N 229.279 2.834 30 20 BFED C=C[C@H](CO)N[C@@H]1CCC[C@H]1Cc1ccccc1 895340104 HQQRCHBPZYNSKU-ARFHVFGLSA-N 245.366 2.534 30 20 BFED C=CCCc1noc(Cc2ccc(CC)cn2)n1 896387568 YUMSQYJHASKKFO-UHFFFAOYSA-N 243.310 2.736 30 20 BFED CO[C@H](C)Sc1ccc(C#N)cc1F 901493884 NBORQTVAPBWIHA-ZETCQYMHSA-N 211.261 2.782 30 20 BFED C=CCC[C@H](N[C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)O 901692369 LYCDAOMBVUTWCK-LPWJVIDDSA-N 239.359 2.820 30 20 BFED CC[C@@H](NCC1(O)CCC1)c1cccc(C#N)c1 902799397 CVRDZGIVXDWUPA-CQSZACIVSA-N 244.338 2.514 30 20 BFED C=CCCC[C@@H](N)c1nc(-c2ccc(C)o2)no1 904684034 NRCALFWDYCSLHH-SNVBAGLBSA-N 247.298 2.994 30 20 BFED CCO[C@@H]1CCCC(=NO[C@H]2CCCCO2)C1 905456153 BLHVOVQSRMCLEP-OLZOCXBDSA-N 241.331 2.865 30 20 BFED C=CCCC(=O)[C@H]1CCCN1C(=O)C1CCCC1 908640175 WTMWOCDXGDBBLA-CYBMUJFWSA-N 249.354 2.703 30 20 BFED CC1(C)CC[C@H]1NC(=O)Nc1sccc1C#N 931836134 ARNFBKZYNIQLKB-SECBINFHSA-N 249.339 2.930 30 20 BFED CC(C)(C)c1nc(CN2CCC[C@@H](C#N)C2)co1 932147469 DTXAYJNAHUIOJC-NSHDSACASA-N 247.342 2.708 30 20 BFED Cc1ccc(C#N)cc1C(=O)N[C@@H]1CC[C@H](C)C1 935541295 RUGIGBDGZUTSCY-GXFFZTMASA-N 242.322 2.785 30 20 BFED C=CCSCCNCc1cccn1C1CC1 1117784580 KPUXITUVPQWEGW-UHFFFAOYSA-N 236.384 2.832 30 20 BFED C=C(C)CCC(=O)OCCC(F)(F)F 1122768778 HAYVMOLQRSOXLB-UHFFFAOYSA-N 210.195 2.838 30 20 BFED C=C(C)CCC(=O)OCCc1nccs1 1122992985 HDSKYDLZHHFNBB-UHFFFAOYSA-N 225.313 2.585 30 20 BFED C=CCCC(=O)N[C@@H](C)CCCCNC(C)C 1169696894 MKXXURWPKNXUAL-ZDUSSCGKSA-N 240.391 2.626 30 20 BFED C=CCCCC(=O)N[C@@H](C)CCCCNCC 1174978391 MLRSFRWSEJLPTF-ZDUSSCGKSA-N 240.391 2.627 30 20 BFED N#Cc1ccnc(-c2ccc(OC(F)F)cc2)n1 1242438837 ULCADEGVORWCHZ-UHFFFAOYSA-N 247.204 2.617 30 20 BFED Cc1cc(OCc2ccc(C#N)cc2F)ccn1 1321614071 KGFSJGOZLXCJDD-UHFFFAOYSA-N 242.253 2.980 30 20 BFED N#CC1(c2nnc([C@H]3CCCCO3)o2)CCCC1 1326119025 IOBGMDSUSMBWJG-SNVBAGLBSA-N 247.298 2.647 30 20 BFED C=C[C@@H]1CCCCN1C(=O)NCCCC(F)F 1335193119 KDHHBEKOJJEZQK-SNVBAGLBSA-N 246.301 2.782 30 20 BFED C#Cc1ccc(N2C[C@@H](C)C[C@@H](C)C2)nc1 1337749778 ALSUBQICQRHFBJ-TXEJJXNPSA-N 214.312 2.545 30 20 BFED C#CCN(CC1CC1)C(=O)/C=C(\C)CCC 1341083362 XRIMWGCOECCLME-ZRDIBKRKSA-N 219.328 2.605 30 20 BFED C=C(C)Cn1c(CCC)nnc1N1CCC[C@@H]1C 1342071413 IWSHEONUMRMREF-LBPRGKRZSA-N 248.374 2.795 30 20 BFED CC(=O)CCCC(=O)O[C@H](CC#N)c1ccco1 1345547012 ITXCJCHHZXRNMO-GFCCVEGCSA-N 249.266 2.537 30 20 BFED C=C(CC(C)C)C(=O)N1CCC[C@H](C)C1 1346059992 IAULWPFLHTWERN-NSHDSACASA-N 209.333 2.847 30 20 BFED N#Cc1ccc(COC(=O)C2=CCCC2)s1 1349867798 UWFLRODLPZQXCQ-UHFFFAOYSA-N 233.292 2.773 30 20 BFED C=C(C)CCC(=O)N1Cc2ccc(O)cc2C1 1353754489 URXHSGUVAHZLIK-UHFFFAOYSA-N 231.295 2.591 30 20 BFED Cc1cc[nH]c1C(=O)Nc1ccc(F)cc1C#N 1515018255 XNGKJPXYCVUBMZ-UHFFFAOYSA-N 243.241 2.586 30 20 BFED C=C(CC)C(=O)N(C)CCc1ccc(F)cc1 1548632035 VQEVWNVSAAYUCV-UHFFFAOYSA-N 235.302 2.793 30 20 BFED CC(C)(C#N)CC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1586913218 BIZAXCUXPJDORJ-QWHCGFSZSA-N 248.370 2.965 30 20 BFED C=CC[C@H]1CCN1[C@@H](C(=O)O)c1ccccc1F 1602855131 ICXDDOTVIRLZNV-GXFFZTMASA-N 249.285 2.602 30 20 BFED C/C(=C/Cl)CSc1ccnc(C#N)n1 1642645796 SHJKYIPIWLPOFI-DAXSKMNVSA-N 225.704 2.583 30 20 BFED C=CCc1cccc(CN(C)[C@@H](CC)C(=O)O)c1 1776189342 PESJQNGKUHIDOS-AWEZNQCLSA-N 247.338 2.710 30 20 BFED N#Cc1c(Br)cnc(Cl)c1F 2332240171 DNFMUFQWRGFEIB-UHFFFAOYSA-N 235.443 2.508 30 20 BFED CC(C)OCCOc1ccc(C#N)cc1F 36886810 ZAYGBFCTRNFMSO-UHFFFAOYSA-N 223.247 2.501 30 20 BFED CC[C@@H](C#N)C(=O)N(C)c1cccc(C)c1 49990548 MHZPAOVEEQWJGC-NSHDSACASA-N 216.284 2.508 30 20 BFED C=CCOC(=O)CCc1c[nH]c2ccccc12 58800933 NPXPPXRKUPODED-UHFFFAOYSA-N 229.279 2.830 30 20 BFED C[C@@H](CC#N)N(C)C(=O)c1cc2ccccc2[nH]1 63097877 HYLWWRMNSRXULX-JTQLQIEISA-N 241.294 2.542 30 20 BFED CC[C@@H](C#N)C(=O)NCc1ccc(Cl)s1 71308699 RABGBYXWKURRSX-ZETCQYMHSA-N 242.731 2.567 30 20 BFED CCC[C@@H](C)C(=O)N(CCC#N)Cc1ccco1 72678989 RJMOGFVVMVQVHX-GFCCVEGCSA-N 248.326 2.958 30 20 BFED CCC[C@@H](O)CNc1c(Cl)cccc1C#N 78252383 XHLUMLYFHYEDEK-SNVBAGLBSA-N 238.718 2.785 30 20 BFED C=CCSCCNCc1ccsc1 105462526 ALIVIEDBJLGJAZ-UHFFFAOYSA-N 213.371 2.757 30 20 BFED N#Cc1cccc(NC(=O)N2CCCCC2)c1 107797009 ZIMXQKIYJOXQRU-UHFFFAOYSA-N 229.283 2.576 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccc(C)c(C)c1 116855999 GYBDPYDBMCMZKF-GFCCVEGCSA-N 217.312 2.998 30 20 BFED C=C(C)CNCc1csc(C(C)C)n1 119643295 MAGUNGLMEHZKAN-UHFFFAOYSA-N 210.346 2.932 30 20 BFED C=CCC[C@@H](NC[C@]1(C)CCCO1)C1CC1 121613420 YZKIFUDEDUUVAS-KGLIPLIRSA-N 223.360 2.890 30 20 BFED CC[C@H](NCC(C)(C)C#N)c1ccccc1O 122326568 AHEKTWSOMUZYRQ-LBPRGKRZSA-N 232.327 2.983 30 20 BFED C#CCCCOC(=O)c1ccc(C#N)c(Cl)c1 123317528 JVWALOAOEBREKY-UHFFFAOYSA-N 247.681 2.782 30 20 BFED C[C@H]1CC[C@H](CNc2ccc(F)cc2C#N)O1 128569580 GCKLJRSHJANBIK-JOYOIKCWSA-N 234.274 2.677 30 20 BFED CC[C@]1(C)C[C@H]1C(=O)N(CC#N)C1CCCC1 131431030 ZYMKTEVGWULVRM-GXTWGEPZSA-N 234.343 2.717 30 20 BFED CSC[C@@H](C)Nc1nc(C)cc(C)c1C#N 135476325 HFIUJRKFKQJCAB-SNVBAGLBSA-N 235.356 2.734 30 20 BFED C#CCCCCNC[C@H]1C[C@@H]2C=C[C@H]1C2 150735126 MUXPZDDCBVXJBJ-HZSPNIEDSA-N 203.329 2.592 30 20 BFED C=CCCCCCN(C)C[C@H]1CCCO1 150901691 PVGBMYKNKBXTLY-CYBMUJFWSA-N 211.349 2.844 30 20 BFED C=CCCC(=O)NCc1ccc(C)cc1OC 153637845 FJRFYTYOXOZTFY-UHFFFAOYSA-N 233.311 2.586 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@@H](CCCC)C(=O)OC 154567046 FUVGTAVTSMNWBZ-AVGNSLFASA-N 241.375 2.909 30 20 BFED CC#CCCS[C@@H](C)c1nc(C)no1 154930910 SXHQGEDCDPZZKG-QMMMGPOBSA-N 210.302 2.586 30 20 BFED CCCCCCCN1CCN(C(C)C)CC1 157547183 MQGGBQKPILSSCQ-UHFFFAOYSA-N 226.408 2.983 30 20 BFED N#Cc1ccc(CN2CCCC2)c(Cl)c1 162855265 UFKUWKVDCKNPHB-UHFFFAOYSA-N 220.703 2.807 30 20 BFED C[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2)[C@@H]1C 175412963 OMUZAZRPEQATLK-GHMZBOCLSA-N 243.310 2.820 30 20 BFED CC[C@H](C#N)OC(=O)C1C(C)(C)C1(C)C 175989640 QNDFWPVDJKOLDK-MRVPVSSYSA-N 209.289 2.514 30 20 BFED CC(C)(C)C(=O)CSCCCSCC#N 176958013 HJOGBMOWYNMOGQ-UHFFFAOYSA-N 245.413 2.982 30 20 BFED CC[C@H](C#N)NC(=O)C1(CC(C)C)CCC1 179241765 XKRQAVCAIWEWTH-LLVKDONJSA-N 222.332 2.621 30 20 BFED CC[C@@H](NCC#N)c1ccc(F)cc1F 179617927 BCGFVPTYTMKASU-LLVKDONJSA-N 210.227 2.529 30 20 BFED Cc1cccc(C)c1CC(=O)N(C)[C@H](C)CC#N 180264914 JOHXMMWLKMXMKJ-CYBMUJFWSA-N 244.338 2.607 30 20 BFED C[C@H](NCC#N)c1cc2ccccc2o1 182631739 UDFFDDZNZDSCAG-VIFPVBQESA-N 200.241 2.607 30 20 BFED C[C@H](c1cccc(C#N)c1)N1CCC(C#N)CC1 187665349 NDGCHHKOOIYLDO-GFCCVEGCSA-N 239.322 2.855 30 20 BFED CN(CCCC#N)CC1(c2ccccc2)CC1 189293165 UMXLEORLXDCWCV-UHFFFAOYSA-N 228.339 2.954 30 20 BFED CC(C)C[C@]1(CO)CCCN1CCCCC#N 191663963 MGUOKOQNKDYNGB-AWEZNQCLSA-N 238.375 2.553 30 20 BFED C=CCN(CC=C)Cc1ccnc(Cl)c1 195052164 RSAYQQRXDWBHSJ-UHFFFAOYSA-N 222.719 2.909 30 20 BFED CC1(C)C[C@@H]1CNc1cccc(C#N)c1[N+](=O)[O-] 232973677 BHQUJFZWOBLDBK-SNVBAGLBSA-N 245.282 2.924 30 20 BFED C=CCC(C)(C)CNC(=O)NC(C)(C)C 238096630 XATNKVZKVXGSKH-UHFFFAOYSA-N 212.337 2.686 30 20 BFED C=CCC[C@H](O)CN1[C@H]2CCCC[C@H]2C[C@H]1C 247375662 KVZBPXXHUHLTRS-QPSCCSFWSA-N 237.387 2.967 30 20 BFED N#Cc1cc(N2CC[C@H]3CCCC[C@H]3C2)ccn1 250244525 KVGJNPDMHZCOGL-OLZOCXBDSA-N 241.338 2.970 30 20 BFED C=C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 264436132 DUBIFVZIXWHKMZ-UHFFFAOYSA-N 236.246 2.890 30 20 BFED C=CCCOc1ccc(C)cc1[N+](=O)[O-] 265730060 XIJVMTRLCBSKIJ-UHFFFAOYSA-N 207.229 2.858 30 20 BFED CC1(C(=O)Nc2ccc(CC#N)cc2)CCC1 267483680 URGZDDNOUVPOIB-UHFFFAOYSA-N 228.295 2.881 30 20 BFED C=C(C)CN(CC)c1ccc([N+](=O)[O-])c(C)n1 268506989 RDUIFZLMAYVACO-UHFFFAOYSA-N 235.287 2.701 30 20 BFED C=CCC[C@H](O)CN1CCc2ccc(F)cc21 268570853 REDWVXYHFRIGSL-ZDUSSCGKSA-N 235.302 2.515 30 20 BFED C[C@@H]1C[C@H](C/N=C/c2ccccc2O)CCO1 271260113 IKQNXEJPHUOTSK-SJIAUZAASA-N 233.311 2.626 30 20 BFED Cc1cc(NC(=O)NCCCC#N)ccc1F 273298437 YKUVVMPNSLJJFH-UHFFFAOYSA-N 235.262 2.559 30 20 BFED C[C@@H]1CCN(c2ccc(C#N)nc2)CC1(C)C 273466490 HNSDYEIJTPKRII-LLVKDONJSA-N 229.327 2.826 30 20 BFED CC#CCCN(C)Cc1c(C)nc2sccn12 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245.278 2.607 30 20 BFED C[C@H]1CC(C)(C)CC1=NN=c1cc[nH]cc1 766029770 OIEOZYUXVNISKW-JTQLQIEISA-N 217.316 2.728 30 20 BFED C#C[C@H](C)N(C)C(=O)c1sccc1C(C)C 767257652 ILKCQDAUQOTBCO-JTQLQIEISA-N 235.352 2.965 30 20 BFED CCCNC(=S)NN=C1CC[C@H](C)[C@@H](C)C1 767369010 YZYFMUAEVLFUHG-UWVGGRQHSA-N 241.404 2.673 30 20 BFED CC#CCCCC(=O)O[C@H](C)c1ncc(C)o1 767673192 WZUIWHNLXYESSP-LLVKDONJSA-N 235.283 2.781 30 20 BFED C[C@@H]1C[C@H]1C=NNc1ccc(F)c([N+](=O)[O-])c1 769829771 IYOAMDHBHBEJLB-SFYZADRCSA-N 237.234 2.788 30 20 BFED C#CCCCCC(=O)Oc1ccc2c[nH]nc2c1 773785696 MFNMQQOUJNUKKC-UHFFFAOYSA-N 242.278 2.662 30 20 BFED C#CCCCCC(=O)OCc1ccc(C)nc1 773804513 WQOGCOZJENTENY-UHFFFAOYSA-N 231.295 2.627 30 20 BFED Cc1ccc2c(c1)CCC2=NOC1CCOCC1 774450371 FEXOVUHGJRJUGC-UHFFFAOYSA-N 245.322 2.841 30 20 BFED CC(=NOC1CCCC1)c1ccncc1 774596620 ICDDPTFXSWCQDK-UHFFFAOYSA-N 204.273 2.765 30 20 BFED C[C@@H]1CC[C@H](C(=O)OCCCCC#N)C1 776413955 DVBLFNYTQKPBFO-MNOVXSKESA-N 209.289 2.660 30 20 BFED C#CCCCCCC(=O)N1CC[C@H](CC)C1 779928791 GAKCIZFUOXZZSN-ZDUSSCGKSA-N 221.344 2.829 30 20 BFED CCC#C[C@@H](C)N(Cc1ccccc1)OC 780347504 NKMMHCOCFIZZIR-CYBMUJFWSA-N 217.312 2.852 30 20 BFED N#Cc1ccc(NN=C[C@@H]2CCSC2)cc1 782198716 GFYKKANHZBPTAN-NSHDSACASA-N 231.324 2.709 30 20 BFED CC#CCOC(=O)c1cccc(Cl)c1C 786477077 NBKGEDXUOJDPDE-UHFFFAOYSA-N 222.671 2.829 30 20 BFED CC(=NNc1c(F)cccc1F)c1ncc[nH]1 790164065 KLFPYPCGXIJBIT-UHFFFAOYSA-N 236.225 2.524 30 20 BFED O=C(/C=C/c1ccccc1F)c1ccnc(O)c1 791433130 PZVOOQDWSMWZMO-AATRIKPKSA-N 243.237 2.822 30 20 BFED CC(=NNc1ccnc(F)c1)c1ccnc(F)c1 794929659 WPPVHLZLJGKFPG-UHFFFAOYSA-N 248.236 2.591 30 20 BFED C=C(C)CCOC(=O)c1occ2c1CCC2 797079992 SIMAEYDPNJPYBS-UHFFFAOYSA-N 220.268 2.891 30 20 BFED C=CCOCCOC(=O)[C@H]1CCCC1(C)C 797294850 KGIUTGTUAOPPKR-LLVKDONJSA-N 226.316 2.559 30 20 BFED CC[C@@H]1CC[C@@H](C)CC1=NNC(=S)N(C)C 797402595 HXOWZBOWMAASAI-NXEZZACHSA-N 241.404 2.625 30 20 BFED C#CCCCOC(=O)CCCc1ccccc1N 798684025 AMSFNYVTAATSQQ-UHFFFAOYSA-N 245.322 2.548 30 20 BFED C[C@H](C#N)OCCN1CCCc2cc(F)ccc21 801930138 GVESGLZFCSSKHA-LLVKDONJSA-N 248.301 2.507 30 20 BFED C#Cc1ccc(CNc2cc(OC)ccn2)cc1 809629692 BNHMMUVXDBOMPD-UHFFFAOYSA-N 238.290 2.684 30 20 BFED C(=NOC1CCC1)c1ccn(-c2ccccc2)n1 812235511 IWOPUYDLKTZMFI-UHFFFAOYSA-N 241.294 2.775 30 20 BFED COCCON=C(C)c1cccc(C2CC2)c1 814864867 KYIVPFIRHZMTIF-UHFFFAOYSA-N 233.311 2.951 30 20 BFED CSCCON=C1CCCC[C@@H]1CCCO 814921870 HIGLVICLXKWUPS-LLVKDONJSA-N 245.388 2.685 30 20 BFED CC(C)(C#N)CCOC(=O)c1ncoc1C1CC1 815323972 ZQNBZWOTFFTZKR-UHFFFAOYSA-N 248.282 2.649 30 20 BFED C#Cc1cccc(N(C)C(=O)[C@@]2(C)CC2(F)F)c1 817431984 UINDGGFWFBZGBQ-CYBMUJFWSA-N 249.260 2.676 30 20 BFED C#CCCOc1c(C)cc(OC)cc1C 818091881 NUMSMLCXUDZXRH-UHFFFAOYSA-N 204.269 2.714 30 20 BFED CC[C@H](NCc1ccc(C#N)cn1)C1CCC1 824231938 SBPBWZPMBFFYJW-AWEZNQCLSA-N 229.327 2.622 30 20 BFED C#CCCN(CCOC)Cc1ccsc1C 827827679 XJGFUFRTLJYRFT-UHFFFAOYSA-N 237.368 2.528 30 20 BFED CC(C)(NC(=O)c1cc(C#N)ccc1F)C1CC1 828629175 QWKMFAVIZPQFDJ-UHFFFAOYSA-N 246.285 2.616 30 20 BFED C[C@@]1(C(=O)OCCCC#N)CCc2ccccc21 830272057 ZWDFPHCCRPBZPD-OAHLLOKOSA-N 243.306 2.737 30 20 BFED C=CCCCCCCNS(=O)(=O)C1(C)CC1 831528336 NTBDAWBOBILVAZ-UHFFFAOYSA-N 245.388 2.595 30 20 BFED C[C@H]1SCCC1=NNCc1ccccc1F 835010570 CAVIUBQNKPKFQL-SECBINFHSA-N 238.331 2.797 30 20 BFED CC(C)[C@@H](C#N)OC(=O)C1=CC[C@H](C)CC1 835125951 ZGKUTNHRUFZANF-CMPLNLGQSA-N 221.300 2.824 30 20 BFED C#CCO[C@@H](C)C(=O)O[C@H](C)C1CCCCC1 835257973 GHKRVGXUSRNMDD-NEPJUHHUSA-N 238.327 2.537 30 20 BFED C=C[C@@H](CC)OC(=O)c1cnn2ccc(C)cc12 835274913 ZPALCFFMWKLZLW-NSHDSACASA-N 244.294 2.764 30 20 BFED CCC/C=C/C(=O)NCc1ccc(C#N)c(F)c1 837109283 SQCSKMLYSKFUCW-SNAWJCMRSA-N 246.285 2.670 30 20 BFED CC(C)c1cccnc1NC(=O)C#CC1CC1 837492523 MPNLTPBAWWJXQR-UHFFFAOYSA-N 228.295 2.557 30 20 BFED CC/C=C/C/N=C/c1c(O)cccc1OC 840704836 BBVSLYRVYUPKHN-ONKXOGLGSA-N 219.284 2.786 30 20 BFED C=CCNC(=S)NCC1CCCCCC1 840795168 VHSMRTOJMIBJPG-UHFFFAOYSA-N 226.389 2.607 30 20 BFED CC[C@H](C=NN1CCC[C@@H]1CO)c1ccccc1 841657618 NOMISUULEQUGPA-UKRRQHHQSA-N 246.354 2.623 30 20 BFED Cc1ccc(C2CC(=NN(C)[C@@H](C)CO)C2)cc1 842542322 ZIMYDPOXXHIJOA-NBFOIZRFSA-N 246.354 2.541 30 20 BFED C=C[C@H](C)ONC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 844284780 WQCDQRDUPZFUKH-WRWGMCAJSA-N 240.347 2.616 30 20 BFED C=C[C@@H](C)ON=Cc1ccc(N(C)C)s1 844626135 YRSQNKDIKPNCKC-SECBINFHSA-N 224.329 2.739 30 20 BFED C=C(C)CONC(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 845605358 LIJOQKTXJLPLSU-GRYCIOLGSA-N 240.347 2.618 30 20 BFED C=C(C)CONC(=O)N[C@@H](CCC)C1CCC1 845611313 LWUGNAWBWRSVCN-LBPRGKRZSA-N 240.347 2.762 30 20 BFED CC[C@@H](C#N)C(=O)N1Cc2cccc(Cl)c2C1 846161228 WSNIQAORXATYBH-VIFPVBQESA-N 248.713 2.732 30 20 BFED CCCCCCCN(C)[C@@H]1CCC(=O)N(C)C1 846920026 FTLZRDFVLSGARI-CYBMUJFWSA-N 240.391 2.509 30 20 BFED CC(C)(CC#N)CNC(=N)Nc1ccccc1 849040179 CGAVFGZFHSGOLD-UHFFFAOYSA-N 230.315 2.563 30 20 BFED C=C[C@@H](OC(=O)CCCOC)c1ccccc1 851453398 QBTDNPYQVMFZHW-CYBMUJFWSA-N 234.295 2.884 30 20 BFED C=CCOCCOC(=O)Cc1cc(C)cc(C)c1 853127947 WHYWSGUHICEPBR-UHFFFAOYSA-N 248.322 2.592 30 20 BFED C[C@H]1CC(=NNc2ccc(Cl)cn2)[C@@H](C)O1 853435352 NZLWKGKOLZCXRG-JGVFFNPUSA-N 239.706 2.700 30 20 BFED C=CCCONC(=O)c1cc(C)sc1C 856029490 QBFIOWIDTLXPAK-UHFFFAOYSA-N 225.313 2.602 30 20 BFED C/C(=C\C(=O)NC(C)(C)C#N)c1cccs1 856955388 WVQLMDUDKVKHTF-VQHVLOKHSA-N 234.324 2.570 30 20 BFED C=CCOCC(=O)Oc1ccccc1CCC 857071166 XKLSRDCOOOPAFY-UHFFFAOYSA-N 234.295 2.747 30 20 BFED C[C@@H]1CCC(=NNc2ncc(Cl)cn2)C1 857221210 UMVWNTRATIQDKC-SSDOTTSWSA-N 224.695 2.718 30 20 BFED C#C[C@@H](OC(=O)[C@@H](C)SC)c1ccc(C)cc1 860965514 LRTZWXXCUJVBOP-DGCLKSJQSA-N 248.347 2.964 30 20 BFED CCc1ncc(C=NNc2cccc(C)n2)s1 863160295 YIBGYZNSSLWWEP-UHFFFAOYSA-N 246.339 2.855 30 20 BFED C=C(C)[C@H](C)OC(=O)Cc1ccc(Cl)cn1 873518078 BLEFDIXARSLTOG-VIFPVBQESA-N 239.702 2.785 30 20 BFED CCCCC[C@H](CC)C(=O)Nc1c[nH]nc1C#N 875847753 XVCJCRPZSZRDKR-JTQLQIEISA-N 248.330 2.826 30 20 BFED N#C[C@H](c1ccccc1)N1C[C@H]2C=C[C@H]1C2 880453297 ZVBXJUIHQUPIJA-FPMFFAJLSA-N 210.280 2.512 30 20 BFED C=C(C)C(C)(C)C(=O)Nc1ncc(CC)o1 889385570 XZVORBZUMXAGJQ-UHFFFAOYSA-N 222.288 2.778 30 20 BFED C[C@@H]1CCC[C@@H]1Nc1ccc(C#N)cc1CO 892341997 HLORBZZAUWRHNV-MFKMUULPSA-N 230.311 2.651 30 20 BFED C#Cc1ccc(C(=O)N(C)[C@H](C)C2CC2)cc1 895605739 VTOCENAATKKYBB-LLVKDONJSA-N 227.307 2.538 30 20 BFED C=C(C)CNc1cccc([S@](C)(=O)=NC)c1 902149173 SHSKZHVODCMDDR-INIZCTEOSA-N 238.356 2.761 30 20 BFED C=C(C)CCNc1cnn(CC(F)(F)F)c1 902197521 SUILVURPAVMVFJ-UHFFFAOYSA-N 233.237 2.824 30 20 BFED COc1cc(CSCC2(C#N)CCC2)on1 902406192 PDACZASSHBXMRZ-UHFFFAOYSA-N 238.312 2.610 30 20 BFED CC[C@@H](NC[C@H]1CCCO1)c1cccc(C#N)c1 902723424 PFFSMGDOCIJZHA-HUUCEWRRSA-N 244.338 2.778 30 20 BFED C[C@H]1CCCCN1C(=O)c1ccsc1C#N 905090278 UTJQZDVTZOXMGT-VIFPVBQESA-N 234.324 2.634 30 20 BFED C=CC[S@@](=O)Cc1csc(CCC)n1 905181877 ISVKXWKZEURIOY-CQSZACIVSA-N 229.370 2.530 30 20 BFED Clc1ccc(NN=Cc2csnn2)cc1 915933309 SFKBUKJEYFDKJU-UHFFFAOYSA-N 238.703 2.638 30 20 BFED N#C[C@H]1CC[C@H](N[C@@H]2CCCc3cccnc32)C1 927061427 NUDHUQOSHAIBAC-FPMFFAJLSA-N 241.338 2.741 30 20 BFED C#CCN(C(=O)[C@@H](C)c1cccs1)C(C)C 928627410 SKWZIDMPEJVAEI-NSHDSACASA-N 235.352 2.722 30 20 BFED C#CCC[C@H](C)OC(=O)[C@H]1CCOC(C)(C)C1 1123069493 HYFMWTXPIRJBHN-RYUDHWBXSA-N 238.327 2.537 30 20 BFED CCC(=NNc1ccn(C)n1)c1ccsc1 1261277500 ALIKVNAIJZIBNS-UHFFFAOYSA-N 234.328 2.708 30 20 BFED C#CCN(Cc1cccc(OC)c1)CC1CC1 1319721234 HECSUTILKFAZPZ-UHFFFAOYSA-N 229.323 2.540 30 20 BFED C=CC(C)(C)CC(=O)NCCC1CCOCC1 1331790778 JTGMQYHWRDRXED-UHFFFAOYSA-N 239.359 2.522 30 20 BFED C=C[C@@H](COC)NC/C=C/c1cccc(F)c1 1332364012 CRKSDSHQHCIWSO-DYLGSBMWSA-N 235.302 2.630 30 20 BFED C=CC1CCN(C(=O)NCCCC(F)F)CC1 1334345909 UIPFXXRFWHOMPK-UHFFFAOYSA-N 246.301 2.639 30 20 BFED C=C(C)CCC(=O)N1CC(C)(C)C1(C)C 1335806839 PKSFYRPMSUUYKA-UHFFFAOYSA-N 209.333 2.990 30 20 BFED C=C(C)CCC(=O)N[C@@H]1CCCc2cccnc21 1336658017 BAZVRMAQNRLABY-CYBMUJFWSA-N 244.338 2.932 30 20 BFED C=CCCCC(=O)Nc1cnc(Cl)cc1C#N 1337423592 KUTYKMBKEAYAFL-UHFFFAOYSA-N 249.701 2.901 30 20 BFED C=C[C@H](C)OC(=O)[C@]1(c2ccccc2)CCCO1 1343327553 KHWULJATPJNAGT-SWLSCSKDSA-N 246.306 2.810 30 20 BFED C=C(CC(C)C)C(=O)N1CC(CC2CC2)C1 1348887313 IERJQWUPVSOQRK-UHFFFAOYSA-N 221.344 2.847 30 20 BFED C=C(CC)C(=O)Oc1cccc2c1OCCC2 1520263866 GYOHFPQQVJXYNY-UHFFFAOYSA-N 232.279 2.883 30 20 BFED C=C(CC)C(=O)Nc1c2c(nn1C(C)C)CCC2 1548687320 DJGNIDGMVDMYPZ-UHFFFAOYSA-N 247.342 2.857 30 20 BFED C=C[C@@H](C)ON=C(C)c1ccccc1C(=O)O 1776090272 AULGTCJVZLKWRU-SECBINFHSA-N 233.267 2.700 30 20 BFED N#CCc1cccc(C(=O)NC2CCCCC2)c1 42182291 RQZLNOVRAAJVAB-UHFFFAOYSA-N 242.322 2.815 30 20 BFED CCC[C@@H](C#N)NC(=O)c1ccc(CC)s1 43640002 KZXTWIOXIIFFDK-VIFPVBQESA-N 236.340 2.733 30 20 BFED CC(C)(C)C(=O)N[C@H](C#N)c1ccccc1F 49826417 SKUHUEOUMXOSFU-LLVKDONJSA-N 234.274 2.553 30 20 BFED CC[C@@H](CC1CCCC1)C(=O)N(C)CC#N 72571997 DSVMALVGKSJBRF-LBPRGKRZSA-N 222.332 2.575 30 20 BFED CN(CCCSCC#N)C(C1CC1)C1CC1 74989734 UIDFTWICXDDCMZ-UHFFFAOYSA-N 238.400 2.754 30 20 BFED C/C=C(C)/C(O)=N/S(=O)(=O)C[C@@H](C)CCC 89970599 IOVDSZQVSNHMIT-CMWXKVOJSA-N 247.360 2.675 30 20 BFED CC1(C)C(NC(=O)C2(C#N)CCCC2)C1(C)C 92818577 QMLNTNZDXDXRDZ-UHFFFAOYSA-N 234.343 2.621 30 20 BFED CCCCCCCn1cc(F)ccc1=O 103950630 MDJCEDMEVYWQIV-UHFFFAOYSA-N 211.280 2.958 30 20 BFED CC[C@H](C#N)NC(=O)C[C@H](C)c1cccc(F)c1 116185877 NSVLFUTUNDPMFH-GXFFZTMASA-N 248.301 2.738 30 20 BFED C=CC[C@@H](C)NC(=O)N(CC)CCCC 116973613 PKKVWRNINKNHGB-LLVKDONJSA-N 212.337 2.783 30 20 BFED C#CCCCCC(=O)Nc1scnc1CC 120312463 CRBHLIHGPAOGOL-UHFFFAOYSA-N 236.340 2.838 30 20 BFED CC1(C)CC[C@H](Nc2ccc(C#N)cn2)C1 122378936 FTPXJYQSCDUZJR-NSHDSACASA-N 215.300 2.944 30 20 BFED C=C(C)COCCNC(=O)c1ccc(CC)cc1 125974533 GEIXEUCSNKIDFO-UHFFFAOYSA-N 247.338 2.572 30 20 BFED Cc1ccc(C#N)cc1NC(=S)NCC(C)C 133573287 FPOBGOKGOVBSJA-UHFFFAOYSA-N 247.367 2.809 30 20 BFED C=C[C@](C)(CC)C(=O)N1CCO[C@H](CCC)C1 135152753 ZFULMCCXTUUETL-TZMCWYRMSA-N 239.359 2.616 30 20 BFED C=CCCOCC(=O)N(CCC(C)C)C1CC1 138483762 FUJQWSYPCBAHOA-UHFFFAOYSA-N 239.359 2.616 30 20 BFED CCCCCCCN1CCN(CC)CC1 139499771 WHRRPBGNGSMUAH-UHFFFAOYSA-N 212.381 2.594 30 20 BFED CCCCCCCC(=O)N[C@@](C)(CN)C1CC1 148902403 BCYFKKBHIPILBV-AWEZNQCLSA-N 240.391 2.591 30 20 BFED C=CCC(CC=C)C(=O)OC[C@@H]1CCCCO1 151414154 GFVDLJURWUTJFS-ZDUSSCGKSA-N 238.327 2.867 30 20 BFED C=CCCOCCNC(=O)C[C@@H]1CC[C@H](C)C1 155519933 AUVOIVUAIWUAEX-QWHCGFSZSA-N 239.359 2.522 30 20 BFED CCOc1cccc(NC(=O)N[C@H](C)CC#N)c1 157291649 BYRBDHGMVDTGND-SNVBAGLBSA-N 247.298 2.509 30 20 BFED CC[C@](C)(C#N)NC(=O)CCC(C)(C)C 157927252 UCFCGFWKTOJKNG-GFCCVEGCSA-N 210.321 2.621 30 20 BFED Cc1ccc(C#N)c(N[C@H](C)C[C@H]2CCCO2)n1 161110398 GHGUOAKLLYZFBU-DGCLKSJQSA-N 245.326 2.631 30 20 BFED C=C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C 162573292 AMVRFXMOCWYOCH-VIFPVBQESA-N 249.270 2.599 30 20 BFED C=C[C@H](C)N[C@@H]1C[C@@H](OCC)C12CCCC2 162576938 WXAXQJDAVLTDOK-YNEHKIRRSA-N 223.360 2.888 30 20 BFED C[C@@H](Nc1ccc(C#N)cn1)c1cccc(O)c1 170860654 NWYGORKOGVLAMB-SNVBAGLBSA-N 239.278 2.832 30 20 BFED C=CCOCCCC(=O)NCC(CC)CC 173081497 UQDCUOXSCKPPIT-UHFFFAOYSA-N 227.348 2.522 30 20 BFED C#CCCCNC(=O)N1C[C@H](C)CCC[C@@H]1C 174110686 KGIUTBHFDBLPIG-OLZOCXBDSA-N 236.359 2.620 30 20 BFED C#CCCCNC(=O)N1C[C@@H](C)CCC[C@H]1C 174110728 KGIUTBHFDBLPIG-QWHCGFSZSA-N 236.359 2.620 30 20 BFED C=CCCCC(=O)N1CCC[C@H](COCC)C1 175660215 LERILUOICGPBML-ZDUSSCGKSA-N 239.359 2.618 30 20 BFED COc1ccccc1C[C@@H](N[C@H](C)C#N)C(C)C 178397900 HNHHNOZKXFPQBV-TZMCWYRMSA-N 246.354 2.764 30 20 BFED C[C@H]1CCCCN(c2ccc(C#N)nc2)C1 185856430 CYOWUBFOKHNJAV-NSHDSACASA-N 215.300 2.580 30 20 BFED COc1ncc(C)cc1N[C@@H]1CCC[C@@H](C#N)C1 193102452 LEOYEKUJRQPBGK-VXGBXAGGSA-N 245.326 2.893 30 20 BFED CCCC(CCC)C(=O)N[C@@H](C#N)C(C)C 211768942 GRBJQGPOXABTNX-LBPRGKRZSA-N 224.348 2.867 30 20 BFED C[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 223528338 BCZPLGGTMMQUKO-SNVBAGLBSA-N 218.275 2.539 30 20 BFED C#C[C@H](CC)NCc1ccc(OCC)cc1 229884673 GNWYHIREHRVHIR-CYBMUJFWSA-N 217.312 2.587 30 20 BFED C[C@H](Nc1cccc(F)c1C#N)C1CCOCC1 230217080 QCTRDVXFXOQASJ-JTQLQIEISA-N 248.301 2.924 30 20 BFED C[C@@H]1CC[C@@H](CNc2cccnc2C#N)C1 230425393 PROKAFUIQBYUMN-GHMZBOCLSA-N 215.300 2.801 30 20 BFED COc1cc(C#N)ccc1NC(=O)[C@H]1CC1(C)C 231753415 JESZOJVYWOYMCV-SNVBAGLBSA-N 244.294 2.551 30 20 BFED C=CCSCCN[C@H]1C[C@@H](N)c2ccccc21 231932918 OYAGGCNVIXOVBE-KGLIPLIRSA-N 248.395 2.640 30 20 BFED COc1cc(C#N)cc(OCCOC(C)(C)C)c1 234823130 MITXKBPQDPFFAP-UHFFFAOYSA-N 249.310 2.761 30 20 BFED N#Cc1ccc(OC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 248393910 XIQJFNBLWLEGDV-OBJOEFQTSA-N 241.290 2.900 30 20 BFED Cc1cc(CON=Cc2ccc(F)cc2)on1 255515346 SDPKYBGHMNEJER-UHFFFAOYSA-N 234.230 2.673 30 20 BFED C=CCCCCNCc1ccc(C#N)o1 274605603 RJVVQHQZZLEUFZ-UHFFFAOYSA-N 204.273 2.597 30 20 BFED C#CCN(C)C(=O)Nc1ccc(OC(C)C)cc1 278509471 BEZJZLSHSMEFAZ-UHFFFAOYSA-N 246.310 2.571 30 20 BFED C=CCN[C@H](C)c1ccc(Br)cn1 280056336 KAICZFGBCOAZHL-MRVPVSSYSA-N 241.132 2.681 30 20 BFED C=CCC[C@H](C)NC[C@@H]1CCO[C@H]1C(=C)C 280692983 BHJAVWCIGUCPAG-IHRRRGAJSA-N 223.360 2.912 30 20 BFED CC#CC(=O)NC[C@@H](Cc1ccccc1)C(C)C 283883205 WSQKANXCPLAKQJ-OAHLLOKOSA-N 243.350 2.641 30 20 BFED C=CC[C@@H](C)NC(=O)[C@@H]1CC=CC[C@H]1C 285387344 DBDDBGPTLIVYAF-IJLUTSLNSA-N 207.317 2.670 30 20 BFED N#CCCCN[C@H](c1ncc[nH]1)C1CCCCC1 286121600 NPTOLHPBBOQOJO-ZDUSSCGKSA-N 246.358 2.924 30 20 BFED CCOC1CC(CCNc2cc(C#N)ccn2)C1 287843366 RQRRLYUTYJRDDE-UHFFFAOYSA-N 245.326 2.570 30 20 BFED C=CCCO[C@@H](C)c1nc(-c2ccn(C)c2)no1 289463627 UVVRQZPIADGJBQ-JTQLQIEISA-N 247.298 2.729 30 20 BFED CCN(C[C@H](C)OC)[C@H](C)c1cccc(C#N)c1 291139637 CQRSVTFPZCVSPP-QWHCGFSZSA-N 246.354 2.976 30 20 BFED C=CC[C@H](C)Nc1ccc(C#N)c(C)n1 292077292 XOSGXURGSGIJKJ-VIFPVBQESA-N 201.273 2.638 30 20 BFED C=CCC(C)(C)CNC(=O)c1c[nH]nc1C1CC1 293882061 XWHCNRAVEGKAMD-UHFFFAOYSA-N 247.342 2.619 30 20 BFED C=CC(C)(C)C(=O)NCc1cc(C)cc(OC)c1 295292765 JOPPTRZYENRRJT-UHFFFAOYSA-N 247.338 2.832 30 20 BFED CC(C)c1ccc(SCC(=O)NCC#N)cc1 299714913 SBTBHANNODMNIB-UHFFFAOYSA-N 248.351 2.542 30 20 BFED C=C[C@@H](Nc1ccc(F)c(Cl)c1)C(=O)OC 301052588 WNLRYPYUKXEWEK-SNVBAGLBSA-N 243.665 2.619 30 20 BFED CC(C)CCC[C@@H](C)N/C(N)=N/CC1CC1 303778346 JNXHILAADCQZIG-LLVKDONJSA-N 225.380 2.516 30 20 BFED CC(C)[C@@](C)(O)CN[C@@H](C)c1cccc(C#N)c1 305774431 JCKUOAVVUUWABE-WFASDCNBSA-N 246.354 2.616 30 20 BFED C=C(Br)CN(CC(C)(C)C)OC 307986772 RHSGNMCGHGACSX-UHFFFAOYSA-N 236.153 2.805 30 20 BFED Cc1cc(C#N)cc(NC[C@@H]2CCC=CO2)c1 308108114 PYSMFPUKUSPBBJ-AWEZNQCLSA-N 228.295 2.971 30 20 BFED N#Cc1nccc(SCc2ccccc2)n1 309398552 TXUALAHMMBSYGK-UHFFFAOYSA-N 227.292 2.641 30 20 BFED C#C[C@H](NC(CCC)CCC)[C@H]1CCCO1 309726768 YHTYNFBHYHHRRK-UONOGXRCSA-N 223.360 2.726 30 20 BFED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)C1(C)CC1 309734205 BYKDKFAGAIOXAH-AGIUHOORSA-N 223.360 2.746 30 20 BFED C=C(CC)CNCc1cc2ccccc2nc1O 313499610 HGNSVTOHQIJBFG-UHFFFAOYSA-N 242.322 2.996 30 20 BFED Cc1cc(C/N=C(/O)[C@@H]2CCCSC2)on1 329447608 CWENIVKQYOHBIY-SECBINFHSA-N 240.328 2.583 30 20 BFED Cc1nccc(N=C(O)[C@H]2CCCSC2)n1 329573165 AFKUUQVXJVJZMZ-VIFPVBQESA-N 237.328 2.516 30 20 BFED Cc1nc(CC2CC2)oc1/C(O)=N/[C@@H]1C[C@@H]1C 330016204 PENRDRYXRSCVLM-OIBJUYFYSA-N 234.299 2.649 30 20 BFED CCC[C@H](C(=O)N[C@H]1CCC[C@@H]1C#N)C(C)C 330531813 PIUAMILSJBJAFS-AGIUHOORSA-N 236.359 2.867 30 20 BFED CC[C@H](C)n1ncc(NC(=O)CCCC#N)c1C 330886505 GLWPCDWURQSPAC-JTQLQIEISA-N 248.330 2.795 30 20 BFED CC[C@H]1CCN1[C@H](C(=N)O)c1ccc(C#N)cc1 331896451 DQMWQZNRTRYRCS-STQMWFEESA-N 243.310 2.619 30 20 BFED Cc1noc(C)c1COc1cc(F)cc(C#N)c1 334249485 VVPRRGIODCSGEY-UHFFFAOYSA-N 246.241 2.881 30 20 BFED CCC1(NC(=O)c2cc(C#N)[nH]c2C)CCCC1 334690070 LZUXNXSSIIHUIZ-UHFFFAOYSA-N 245.326 2.647 30 20 BFED C=C(C)CCNC(=O)N1CCCC2(CC2)C1 334694696 ACTFNMLUPJXKLX-UHFFFAOYSA-N 222.332 2.538 30 20 BFED C=CC(C)(C)C(=O)N1CCC(C)(C)CC1 334721746 MTTDSPAOTJXRPC-UHFFFAOYSA-N 209.333 2.847 30 20 BFED CCC1(C(=O)N(C)[C@H](C)C#N)CCCCC1 335380205 DTSLIIHDQILIIG-LLVKDONJSA-N 222.332 2.717 30 20 BFED C[C@@H]1CCN(CC2(C#N)CC2)CC1(C)C 336512674 OHHSKYIXLUYHRS-LLVKDONJSA-N 206.333 2.658 30 20 BFED C=CCC[C@@H](C)NC[C@@](C)(OC)C1CC1 336666506 DLPVAVVWCBKVIN-DGCLKSJQSA-N 211.349 2.746 30 20 BFED C=CCC[C@@H](C)N[C@H](CO)CC1CCCC1 336736394 IVACKDMACILVRD-OCCSQVGLSA-N 225.376 2.872 30 20 BFED C=CC[C@H](CO)CNC[C@H]1CCCC[C@H]1C 336751371 VEFVWZJZVLNMFM-HZSPNIEDSA-N 225.376 2.587 30 20 BFED C=CC[C@H](CO)CN[C@@H]1CCC[C@H]1CCCF 337992908 APUBCGMRDWIEIV-MELADBBJSA-N 243.366 2.679 30 20 BFED C=CC[C@@H](CC)NC(=O)c1cccc(C#N)c1C 337997854 MRWVMVNNWCHDHY-CYBMUJFWSA-N 242.322 2.951 30 20 BFED Cc1cccc(C)c1[C@@H](C)NCCOCCC#N 339096624 TUCWAKLIRGQQQY-CQSZACIVSA-N 246.354 2.884 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@H]1CCN2CCC[C@H]2C1 341448797 DHBNFECZOGVAMM-AJNGGQMLSA-N 236.403 2.804 30 20 BFED C=CCCC[C@@H](C)NC(=O)Cc1ccco1 343235122 FBMFJWGFESEVAQ-LLVKDONJSA-N 221.300 2.683 30 20 BFED C=CC[C@H](C)[C@@H](C)NCC1([C@@H](O)C(C)C)CC1 344299144 ONLYCRJQZHSQQR-MJBXVCDLSA-N 239.403 2.974 30 20 BFED Cc1noc(C[C@@H](CC#N)c2ccccc2)n1 345519776 AMMWYHYEXXIDMD-GFCCVEGCSA-N 227.267 2.618 30 20 BFED CC[C@@](C)(C#N)C(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 349804011 OIZAFIJUQKSRJS-ABHRYQDASA-N 248.370 2.869 30 20 BFED C=CCCc1noc(-c2ccnn2CC(C)C)n1 351389449 XAIWHFJFZFRFBX-UHFFFAOYSA-N 246.314 2.708 30 20 BFED C=CCN(CCc1ccco1)C(=O)NC1CCC1 353439242 XZAUVHZTPYCCAP-UHFFFAOYSA-N 248.326 2.572 30 20 BFED C=CC[C@H](C)N[C@H](CC)C1(C(=O)OC)CCC1 354033628 CCGYFIFUOXBYSZ-NWDGAFQWSA-N 239.359 2.663 30 20 BFED C=CCCOCCNCCCc1ccc(C)nc1 354572590 RHNYQQJNFADXKL-UHFFFAOYSA-N 248.370 2.505 30 20 BFED C=CCOc1ccc(C(=O)N[C@H](C)C=C)cc1 362586984 JRTWURASVZNVBF-LLVKDONJSA-N 231.295 2.556 30 20 BFED N#Cc1ncccc1N1CC[C@@H](c2ccco2)C1 368177099 OUHCYXPTPULRMT-LLVKDONJSA-N 239.278 2.540 30 20 BFED C#CCCCNC(=O)c1csc(Cl)c1 378990015 ALZZWWDGCZCDAO-UHFFFAOYSA-N 227.716 2.545 30 20 BFED C[C@H]1Cc2ncn(CC3(CC#N)CC3)c2C[C@@H]1C 386431464 BDNNRXVIKZGBBX-RYUDHWBXSA-N 243.354 2.948 30 20 BFED CCCC1(CNC(=O)[C@H](C#N)CC)CCC1 392133979 IWCBYNYIWWZPCA-NSHDSACASA-N 222.332 2.623 30 20 BFED C=CCN(CC(=O)O)C[C@H]1CCC[C@@H](CC)C1 394529669 WOLNZDLBYFRXAY-OLZOCXBDSA-N 239.359 2.775 30 20 BFED CCn1nc(-c2cccs2)cc1CC#N 409443373 LXDXEPRRGXZLRW-UHFFFAOYSA-N 217.297 2.698 30 20 BFED CCC[C@@H]1CCC[C@@H]1C(=O)N(C)[C@H](C)C#N 410884775 TUCBANUPQZJWHB-UTUOFQBUSA-N 222.332 2.573 30 20 BFED C[C@@H](CCC#N)N1CCC(OCC2CC2)CC1 411298925 OFSRUOIEAZITPX-LBPRGKRZSA-N 236.359 2.570 30 20 BFED C=CC(C)(C)CNC(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C 416727929 PRYMSNWJBYCLLH-TUAOUCFPSA-N 238.375 2.885 30 20 BFED N#Cc1ccc(CNC[C@H]2CC23CC3)cc1F 421380927 KSBWXHBUXAWROX-GFCCVEGCSA-N 230.286 2.587 30 20 BFED C[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CC#N 424637108 BYMHPAIBQDKFMR-UTUOFQBUSA-N 222.332 2.573 30 20 BFED C=C(C)C(C)(C)C(=O)NCC(C)(C)CC#N 424889362 HPQOTGWLBVGREI-UHFFFAOYSA-N 222.332 2.645 30 20 BFED CCCN(CCC)C(=O)NCC1(CC#N)CC1 431052416 WWMAEYSOEOGMFF-UHFFFAOYSA-N 237.347 2.512 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@@H]1C[C@H]2CC[C@H]1C2 435745977 SBVBHEWWWSIBMF-QMHWVQJVSA-N 249.398 2.993 30 20 BFED Cc1ccccc1CCN[C@@H]1CC[C@H](C#N)C1 442632620 FEBCUBQJOYTSIQ-DZGCQCFKSA-N 228.339 2.819 30 20 BFED C[C@@H]1C[C@@]1(C#N)C(=O)NCCC1=CCCCC1 448591070 VNMVXNKTNCJISS-RISCZKNCSA-N 232.327 2.543 30 20 BFED N#Cc1cccc(OC[C@@H]2C[C@H]3CC[C@H]2O3)c1 450592699 HNBFFTTZUXJXRK-IACUBPJLSA-N 229.279 2.505 30 20 BFED N#Cc1ccccc1OC[C@H]1C[C@H]2CC[C@H]1O2 450630862 VDQFXBKUORVHKP-YRGRVCCFSA-N 229.279 2.505 30 20 BFED C=CC(C)(C)C(=O)NCC(C)(C)CCC#N 451782974 ZWLNSDKXXXXDED-UHFFFAOYSA-N 222.332 2.645 30 20 BFED C=CC(C)(C)CNS(=O)(=O)CC(CC)CC 451813629 RLFNOEREBVQFQW-UHFFFAOYSA-N 247.404 2.554 30 20 BFED C=C(CC)CNS(=O)(=O)CCCC(C)(C)C 452047534 YXSFLZHNKLSLNW-UHFFFAOYSA-N 247.404 2.698 30 20 BFED C[C@]12CN(CC3(C#N)CC3)C[C@@H]1[C@@H]1CC[C@H]2C1 452055510 ULJIEIBVFNNBHI-XJFOESAGSA-N 230.355 2.658 30 20 BFED C=C(CC)CNC(=O)N[C@H]1CCCc2occc21 454252752 KLICCKLMDFNQOD-LBPRGKRZSA-N 248.326 2.922 30 20 BFED CCC[C@@H](C(=O)N[C@]1(C#N)CC1(C)C)C(C)C 484911681 RLWBFCPJSAAOEX-RISCZKNCSA-N 236.359 2.867 30 20 BFED C#C[C@@H](NC(=O)[C@@H]1C[C@H]1CCC)C(C)(C)C 491276852 LEGNPIDAACEBLG-IJLUTSLNSA-N 221.344 2.587 30 20 BFED C#C[C@H](C)N(C)C(=O)c1ccc2sccc2c1 491738739 IORWRLXAOQVWBW-JTQLQIEISA-N 243.331 2.995 30 20 BFED C#C[C@H](C)N(C)C(=O)c1ccccc1SC 491793934 NSRBBOBXKOVVJF-JTQLQIEISA-N 233.336 2.502 30 20 BFED C=CC(C)(C)CNC(=O)/C=C/c1cnccc1C 493726074 OOZVKBRZXKLAEA-VOTSOKGWSA-N 244.338 2.732 30 20 BFED C=CCCCN(C)[C@@H](C(=O)O)c1ccsc1 514865827 DEZOZIRTBUZWED-LLVKDONJSA-N 239.340 2.772 30 20 BFED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 521391350 FUHGCPQQUBZHRA-ZDEQEGDKSA-N 221.344 2.894 30 20 BFED C=CCCCc1nc([C@@H]2CC[C@@H](C)O2)no1 528241283 QVEAHSFIJKJJDL-ZJUUUORDSA-N 222.288 2.818 30 20 BFED COc1c(C)ccc(NCCC#N)c1C 567582689 VKJMSKJANSWYII-UHFFFAOYSA-N 204.273 2.638 30 20 BFED N#CCC1(CNC(=O)C[C@@H]2C=CCCC2)CC1 570265177 SVPUFGVDZWSSTK-GFCCVEGCSA-N 232.327 2.543 30 20 BFED CC#CCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] 572735355 TVYGBLPGXFUTDT-ZDUSSCGKSA-N 244.294 2.585 30 20 BFED CCCN(C)C(=O)[C@H](C)Cc1ccc(C#N)cc1 593970468 VGDIZWNFGIYMEA-GFCCVEGCSA-N 244.338 2.605 30 20 BFED CC[C@H]1CC[C@@H]1NCCc1ccc(C#N)cc1 595056303 URYBLORQXJXFPX-GJZGRUSLSA-N 228.339 2.879 30 20 BFED N#C[C@H](c1ccccc1)N1CC[C@@H](C2CC2)C1 595412679 RCXRCTNTMTZTPG-HUUCEWRRSA-N 226.323 2.983 30 20 BFED CCN(C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)[C@H](C)C#N 598362972 KUHYNZIABMDPPW-UMSGYPCISA-N 236.359 2.819 30 20 BFED Cc1csc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)n1 599051139 FYWWVTIOVNLEJE-OUAUKWLOSA-N 235.356 2.794 30 20 BFED Cc1ccccc1C[C@@H](C)C(=O)N[C@@H](C)CC#N 599221559 POMONUAVGGRFQZ-OLZOCXBDSA-N 244.338 2.592 30 20 BFED CCc1ccc(F)cc1C(=O)N(C)[C@H](C)CC#N 601037116 OJZTVLJILLIWOC-SNVBAGLBSA-N 248.301 2.762 30 20 BFED C[C@H](CCC#N)CNCc1cccc(C#N)c1 602507240 DOPMNSHFMZIMCA-GFCCVEGCSA-N 227.311 2.588 30 20 BFED C=CCC[C@H](N[C@H](CC)C1CC1)C(=O)OCC 602679370 DYFKULNXAPFJFK-OLZOCXBDSA-N 239.359 2.663 30 20 BFED N#CC1CCC(N[C@@H]2C[C@H]2c2ccco2)CC1 602695459 WKFIEASEPSQLTM-FIYWTHMPSA-N 230.311 2.807 30 20 BFED N#CCC1(CN2CCC[C@@H]2c2cccnc2)CC1 602794125 FXDFZNPFVFVLQQ-CQSZACIVSA-N 241.338 2.912 30 20 BFED CCCN(CC(F)(F)F)CC1(C#N)CC1 611429915 MEGRKVMOHKHGPS-UHFFFAOYSA-N 220.238 2.564 30 20 BFED CCC(CC)C(=O)N1CCC[C@@](C)(C#N)C1 612369546 UHTQCLZWUHHUPO-ZDUSSCGKSA-N 222.332 2.575 30 20 BFED C=CCC1(NC(=O)C[C@@H](C)COC)CCCC1 619107455 BKRDHZJQTGYZDG-GFCCVEGCSA-N 239.359 2.664 30 20 BFED C=CC[C@H](Cc1ccccc1)NC[C@H](O)CC 644672545 YJAMIDBPNDLVNG-HUUCEWRRSA-N 233.355 2.534 30 20 BFED C=CCCCCN1CCC([C@H](C)CO)CC1 649797463 AFUMHIQEVDRDMH-CYBMUJFWSA-N 225.376 2.683 30 20 BFED C=C(CC)CNC(=O)c1ccc2cc(C)cn2c1 654373045 CLERMYMUYWYYKA-UHFFFAOYSA-N 242.322 2.944 30 20 BFED C=CCC1(NCC[C@@H]2CCOC2)CCCC1 661851157 QXSULPULNGKHQN-CYBMUJFWSA-N 223.360 2.892 30 20 BFED C=CC[C@H]1CCCN(CC[C@@H]2CCCNC2)C1 662299811 XNPIUPDYYZGCFE-GJZGRUSLSA-N 236.403 2.664 30 20 BFED C#CCN(C(=O)c1cc2ccccc2o1)C(C)C 688789794 XOPRYZVVOMTENZ-UHFFFAOYSA-N 241.290 2.917 30 20 BFED C#C[C@@H](NC(=O)/C=C/c1cccc(F)c1)C(C)C 700625994 CSGRICYATUVBLL-MYSGNRETSA-N 245.297 2.613 30 20 BFED CCCCCCCN[C@@H]1CCNCC1(C)C 703727424 MZIXFHBEAXCKKI-CYBMUJFWSA-N 226.408 2.935 30 20 BFED C#CCCCOC(=O)c1c(C)noc1C(C)C 727041022 SWQWBIAEOWCGBH-UHFFFAOYSA-N 235.283 2.677 30 20 BFED Cc1ccc(C=NNc2ccc(F)cn2)cc1 731322047 WVJRKGGBIFSGTJ-UHFFFAOYSA-N 229.258 2.975 30 20 BFED CCC1CCC(=NNc2cccnn2)CC1 735974637 IQLFOJADPJABBL-UHFFFAOYSA-N 218.304 2.845 30 20 BFED C/C(C=NNCC(F)F)=C\c1ccccc1 740616097 GZWZRIVBUDNGPU-QRSPGJTOSA-N 224.254 2.930 30 20 BFED CC(CCc1ccccc1F)=NNCC(F)F 740616888 WHTLLKGLWROPAT-UHFFFAOYSA-N 244.260 2.989 30 20 BFED CC(=NNc1cc(Cl)nc(C)n1)c1ccc[nH]1 741766963 ZFLDYJQYFLUTPF-UHFFFAOYSA-N 249.705 2.603 30 20 BFED C#CCCCNC(=O)c1cc2cc(C)ccc2[nH]1 742788339 QYWWYHNFIMHSDP-UHFFFAOYSA-N 240.306 2.620 30 20 BFED CC[C@H](C#N)OC(=O)c1cnc2ccsc2c1 753431370 MHHQFEJGYUVNGW-SECBINFHSA-N 246.291 2.755 30 20 BFED C#CC(=O)N1CC(C)(C)c2c(Cl)cccc21 753978143 VXDAFFCFDXMVRT-UHFFFAOYSA-N 233.698 2.597 30 20 BFED C#CC(=O)Nc1cccc(CCC(F)(F)F)c1 754064276 PBMXMVAWIZAAIM-UHFFFAOYSA-N 241.212 2.753 30 20 BFED CCCCCCCCNC(=O)N[C@H](C)COC 754684773 KQHAXCDMLHYKQM-GFCCVEGCSA-N 244.379 2.681 30 20 BFED C=C[C@H](C)NC(=O)N[C@H](C)CCCCC 756972999 HZNVHZUSKHSZFF-WDEREUQCSA-N 212.337 2.829 30 20 BFED C=C(Cl)CNC(=O)NCC12CCC(CC1)C2 757034550 JJGQEGQLQDMCRE-UHFFFAOYSA-N 242.750 2.618 30 20 BFED FC(F)CON=C/C=C/c1ccco1 758899288 IHRRCSWZMVPJPR-UPJGTIJNSA-N 201.172 2.560 30 20 BFED Cc1c(C#N)cccc1NCCCCCCO 762473309 IOFMDHFVCSAGEL-UHFFFAOYSA-N 232.327 2.831 30 20 BFED CO[C@H](C)C(C)=NNc1cc(F)cc(F)c1 763164720 YONBDNFQGPEHGR-MRVPVSSYSA-N 228.242 2.788 30 20 BFED C=CCCC(=O)Nc1nccc2ccncc12 763295983 ANJMHUOFXLZANV-UHFFFAOYSA-N 227.267 2.535 30 20 BFED C#CCN(C(=O)NC1CCCCCCC1)C1CC1 764672804 SFYUYECOQGABLI-UHFFFAOYSA-N 248.370 2.907 30 20 BFED C#CCN(C(=O)NC[C@H]1CCCC[C@H]1C)C1CC1 764692343 MMGGTWCABVKXQC-CHWSQXEVSA-N 248.370 2.620 30 20 BFED C#CCCCOc1c(F)cc(F)cc1C(C)=O 766289859 QKOICDNEJGGZBY-UHFFFAOYSA-N 238.233 2.960 30 20 BFED CCO[C@@H]1CCCC1=NNCC(CC)CC 766478218 NZPMXPUBQGIRIG-CYBMUJFWSA-N 226.364 2.957 30 20 BFED O=C1CCCN1N=Cc1cc2ccccc2s1 769590206 YIYJCGSXKDVCNG-UHFFFAOYSA-N 244.319 2.858 30 20 BFED C#C[C@@H](C)N(C)Cc1cccc(CC)c1 769975384 FDEHJKYJFWUPLV-GFCCVEGCSA-N 201.313 2.703 30 20 BFED C[C@H](C#N)CNN=C1CCC(C)(C)C[C@@H]1C 771112399 NIKOWBFSODBTSA-MNOVXSKESA-N 221.348 2.938 30 20 BFED CCCCCC[C@@H]1CCCC1=NOCC(N)=O 771575709 WIOZDDYGFVRSND-LLVKDONJSA-N 240.347 2.615 30 20 BFED N#CCC(=O)N(CC[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1 772722885 QFRMKNIZGFFMFV-RWMBFGLXSA-N 246.354 2.717 30 20 BFED C=C(CC)COC(=O)c1scnc1C 773493985 FHVUWWRBNYHJHL-UHFFFAOYSA-N 211.286 2.575 30 20 BFED C=C(CC)COC(=O)c1c(C)nn(CC)c1C 773508043 XWDCCBJDUQYLRY-UHFFFAOYSA-N 236.315 2.643 30 20 BFED CCN(C)c1ccc(CN(C)[C@@H](C)CC#N)cc1 773766635 UDXNIVXHIOXVGU-ZDUSSCGKSA-N 245.370 2.877 30 20 BFED CC(Cc1ccncc1)=NN[C@@H]1C[C@H]2CC[C@H]1C2 774592885 GRSXCRDYHPSBMS-SOUVJXGZSA-N 243.354 2.778 30 20 BFED COc1ccc(O)c(C=NOC2CCCC2)c1 774602356 IQPJPPIEHDHJON-UHFFFAOYSA-N 235.283 2.694 30 20 BFED C[C@@H](C(=O)OCC1(C#N)CC1)c1ccccc1F 775855909 DIHWGYSRLXNQAT-SNVBAGLBSA-N 247.269 2.776 30 20 BFED C=C(C)CN(C)C(=O)c1c(O)cccc1Cl 778458268 VCVRMAIDWKMGMT-UHFFFAOYSA-N 239.702 2.694 30 20 BFED CC/C(C)=C(/C)C(=O)N[C@@H](C#N)CC(C)C 780021968 AWAWLDYAKJWDST-NLYDNYMLSA-N 222.332 2.787 30 20 BFED CC[C@@H](C)[C@H](C)C(=O)OCC1(CC#N)CC1 780392013 IAHVDMBOQVYIHA-MNOVXSKESA-N 223.316 2.906 30 20 BFED C[C@H](C#N)CNN=C1CCC[C@H](C)[C@H]1C 781128823 VOLBCEQYLXJDAY-OUAUKWLOSA-N 207.321 2.548 30 20 BFED C[C@H](C#N)SCC(=O)OC1CCCCC1 783478965 DYFGNOVBGNHQMK-SECBINFHSA-N 227.329 2.508 30 20 BFED C=C[C@@H]1CCCCN1C[C@H]1CC2(CCC2)C(=O)O1 785999611 WUQSQXFIVNOSCC-CHWSQXEVSA-N 249.354 2.513 30 20 BFED CCON=C(C)c1cnn(C(C)(C)C)c1C 787152643 YBLVBGDDYQZFMA-UHFFFAOYSA-N 223.320 2.707 30 20 BFED CCC(=NNc1cc(Cl)ccn1)c1cn[nH]c1 789036335 DNNQUBMSXNHGFM-UHFFFAOYSA-N 249.705 2.684 30 20 BFED C1=CC[C@H](C=NNCCc2ccncc2)CC1 789095081 XTRRSUKRFBVAOD-AWEZNQCLSA-N 229.327 2.556 30 20 BFED C#CCCN(CC(F)(F)F)C(=O)/C(=C\C)CC 789666024 ISFXJTMONGKZBQ-YHYXMXQVSA-N 247.260 2.757 30 20 BFED C=CCNN=Cc1c[nH]c2cc(C)ccc12 795004248 ZLGJUONYFFLRPF-UHFFFAOYSA-N 213.284 2.586 30 20 BFED C=C(C)COC(=O)CCCOC(C)(C)C 796819320 SCAQSCBEWUSVGL-UHFFFAOYSA-N 214.305 2.701 30 20 BFED C#CCCCOC(=O)[C@H]1CCCC(F)(F)C1 800285390 YSACKWQTCXZBFQ-JTQLQIEISA-N 230.254 2.769 30 20 BFED C[C@@H]1CC[C@H](C=NO[C@@H]2CCCCO2)C1 800815333 UMLKTNRQIFWYAQ-GRYCIOLGSA-N 211.305 2.952 30 20 BFED CC#CC(=O)N[C@@H](C)c1ccc(SCC)cc1 801151317 LQHPITBMCFUFPC-NSHDSACASA-N 247.363 2.999 30 20 BFED C[C@@H](C#N)OCCN1CC=C(C(C)(C)C)CC1 801936632 URIFUATYPPELOQ-LBPRGKRZSA-N 236.359 2.593 30 20 BFED Cc1cc(NN=CCCC2CC2)nc(C)n1 807963927 POXMMAGAGTWFEI-UHFFFAOYSA-N 218.304 2.681 30 20 BFED CC[C@@H]1CCC1=NNc1ncccc1C 807984379 OEQQVKJDIMMVMU-SNVBAGLBSA-N 203.289 2.978 30 20 BFED CC#CCN(C[C@H]1CCC[C@@H](C)C1)OC 810135923 VYUFDJNDESPNEN-OLZOCXBDSA-N 209.333 2.699 30 20 BFED C=CCOC(=O)Cc1cccc(Cl)c1F 810538306 BUDOXJUXRIZDBW-UHFFFAOYSA-N 228.650 2.751 30 20 BFED CC(C)OCCON=C1CCc2ccccc2C1 812238686 CSAHPTUKQOHGMA-UHFFFAOYSA-N 247.338 2.973 30 20 BFED CC[C@@H]1CCCC1=NOCCOC(C)C 812238718 DPPDEURZUGLTBW-LLVKDONJSA-N 213.321 2.994 30 20 BFED C#Cc1ccc(CNCC(CC)(CC)OC)cc1 814177675 LPFRVFMFPSBSPR-UHFFFAOYSA-N 245.366 2.963 30 20 BFED Clc1cncc(NN=C2CC[C@@H]2C2CC2)n1 814797892 RWZPBWILASLDHM-MRVPVSSYSA-N 236.706 2.718 30 20 BFED C[C@@H](C=NNC1CCOCC1)C1CCCCC1 814869349 IXKUVIMURAKOJF-LBPRGKRZSA-N 238.375 2.957 30 20 BFED Cc1ccc(COC(=O)c2sccc2C#N)o1 816426243 AAOXWJLFUCQRNR-UHFFFAOYSA-N 247.275 2.878 30 20 BFED CCCc1[nH]ccc1C(=O)OCCCCC#N 817269632 LFLJFNQJJDVDSO-UHFFFAOYSA-N 234.299 2.818 30 20 BFED CC(=NN[C@@H]1CCC[C@H]1O)c1cc(C)ccc1C 817332576 RFLDKFGKBLPOAB-HUUCEWRRSA-N 246.354 2.530 30 20 BFED CCOCCON=Cc1c(F)cc(C)cc1F 819809116 ABJOFEWRBMPBGR-UHFFFAOYSA-N 243.253 2.660 30 20 BFED C[C@]1(COC(=O)c2cc(C#N)cs2)C[C@@H]1F 822117585 BIZALKAZOIULJV-GXSJLCMTSA-N 239.271 2.525 30 20 BFED C=CCN(CCC#N)C(=O)[C@H](CC)CCC 823090344 NIJKBKRCSDJFMX-GFCCVEGCSA-N 222.332 2.741 30 20 BFED C#CCCNC(=O)C1(C(F)(F)F)CCCCC1 827692890 RTOLRVRQKPBFIA-UHFFFAOYSA-N 247.260 2.639 30 20 BFED Cc1ccoc1C(=O)/C=C/c1ccc(C(=O)O)o1 832984819 IGVSTQDTABAGLY-DUXPYHPUSA-N 246.218 2.775 30 20 BFED C=CC(C)(C)C(=O)N1CCC(CSC)CC1 834345844 FCMQEMGWBITDPE-UHFFFAOYSA-N 241.400 2.800 30 20 BFED C=CCON=C(C)c1ccc(OC)cc1OC 835012428 TZVKSSOOJNXAFK-UHFFFAOYSA-N 235.283 2.630 30 20 BFED CCC[C@@H]1CCC[C@H]1C(=O)O[C@@H](C)C#N 837833182 VPQPAXSDZSYZNZ-HBNTYKKESA-N 209.289 2.658 30 20 BFED C=C(C)CCNC(=O)N(CC(C)(C)C)OC 838661336 UIJBBGMLXPIREM-UHFFFAOYSA-N 228.336 2.572 30 20 BFED C=CCONC(=O)N1CCC[C@@]1(C)CC(C)C 838713360 MSUDYAWGWNLHFS-ZDUSSCGKSA-N 240.347 2.714 30 20 BFED C#CCC(C)(C)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839061328 CISFMNGWNIZWBR-NWDGAFQWSA-N 233.311 2.661 30 20 BFED N#CCOc1cccc(OC(=O)C2CCCC2)c1 841343153 WMPGEFGVVPYHIF-UHFFFAOYSA-N 245.278 2.685 30 20 BFED C[C@H]1CCC(=NN(C)C[C@@H](C)O)c2ccccc21 841652817 SMBPKGLEJJBZEN-NWDGAFQWSA-N 246.354 2.601 30 20 BFED CC(=NNc1nccn1C)[C@H]1C[C@H]2C=C[C@H]1CC2 842531810 MKDSCMODZDXOOD-RWMBFGLXSA-N 244.342 2.810 30 20 BFED CCCCCC1=CCCC1=NN(CC)CCO 842534749 XGGBMZXCBXOHNQ-UHFFFAOYSA-N 238.375 2.957 30 20 BFED C[C@@H](CC#N)OC(=O)[C@@]1(C)CCc2ccccc21 842717355 SVXIPEVGHKMTGR-NHYWBVRUSA-N 243.306 2.736 30 20 BFED C[C@H]1CCCCCC1=NNC1CCOCC1 844586990 GKIHPJQIOKBXRM-NSHDSACASA-N 224.348 2.711 30 20 BFED C=C(C)CON=Cc1cn(C)nc1C(C)(C)C 844618121 IJWKOIUVXAHITP-UHFFFAOYSA-N 235.331 2.644 30 20 BFED C=C(C)CONC(=O)CC1(C)CCCCC1 846536466 MIRXZWFGYBHIAQ-UHFFFAOYSA-N 225.332 2.971 30 20 BFED C=C(Cl)CNc1ccn(CC(F)(F)F)n1 849315550 YZGZCXZFHSJJGW-UHFFFAOYSA-N 239.628 2.610 30 20 BFED C=CCCCCC[C@H](C)NC[C@H](O)CC 850529184 OBVOEWARYZQPJZ-QWHCGFSZSA-N 213.365 2.872 30 20 BFED C=C[C@@H](OC(=O)COCC1CC1)c1ccccc1 851451295 AGAYPEUQHWWFCO-CQSZACIVSA-N 246.306 2.884 30 20 BFED CCCCCCCN1CCn2cncc2C1 852060118 AEWTXWTXQXRNHB-UHFFFAOYSA-N 221.348 2.669 30 20 BFED C#C[C@](C)(CC)NCc1cccnc1Cl 852099383 LCVOGKMUHGPYBG-GFCCVEGCSA-N 222.719 2.627 30 20 BFED CN(C)[C@@H]1CCCC(=NOCC2CCC2)C1 853440611 FZTZFXCUQKEXGV-CYBMUJFWSA-N 224.348 2.663 30 20 BFED CC(C)C#CC(=O)N[C@@]1(C)CCCC[C@H]1C 854904207 PWVKHLHJZXBLAU-OCCSQVGLSA-N 221.344 2.731 30 20 BFED C#Cc1ccccc1CC(=O)NCC[C@H](C)CC 855390432 QSVMRAXVTFICPO-CYBMUJFWSA-N 243.350 2.763 30 20 BFED CCCCCCCNC(=O)/C=C/SC 862358600 OQPHUSKQGDGSMK-CSKARUKUSA-N 215.362 2.950 30 20 BFED C#CC[C@H](CCOC)N[C@@H](C)CC1CCCC1 862547510 IDHWZRMKTXAASM-DZGCQCFKSA-N 237.387 2.973 30 20 BFED Cc1cccc(NN=C2CC[C@H](C)C2)n1 863160065 PIOFWHRFSPNHJV-VIFPVBQESA-N 203.289 2.978 30 20 BFED C=C[C@@H](C)NCc1cccnc1Br 865489925 KCHHBKUELBOQGR-MRVPVSSYSA-N 241.132 2.508 30 20 BFED CCC[C@H](CC)C(=O)N[C@@H](C#N)CCC 874262448 CSSWRWRMLVBSLP-WDEREUQCSA-N 210.321 2.621 30 20 BFED Cc1ccc(N)cc1NC(=O)C#CC(C)(C)C 876831466 FTQOAZWTXFTDBF-UHFFFAOYSA-N 230.311 2.565 30 20 BFED N#CCCCCN1C[C@H]2CC=CC[C@H]2C1 879528695 JTRHYXYMXGADNP-BETUJISGSA-N 204.317 2.578 30 20 BFED C#CCCCCN[C@@H](C)c1c(O)cccc1F 886551105 BFSHSQKOINMWSQ-NSHDSACASA-N 235.302 2.985 30 20 BFED C=C1CCC(C(=O)N[C@@H]2CC23CCC3)CC1 893236333 FGELKOJCIDZUJT-GFCCVEGCSA-N 219.328 2.792 30 20 BFED CCC#CCOC(=O)CCC(=O)c1ccccc1 893839526 PVBVYDSAWANSJX-UHFFFAOYSA-N 244.290 2.606 30 20 BFED C=C1CN(C(=O)CC2CCC(C)(C)CC2)C1 898699362 ICEUSBDFDYGOBZ-UHFFFAOYSA-N 221.344 2.991 30 20 BFED C=CCN(CC(=O)O)Cc1cccc(CCC)c1 901586022 IQHDJFIFEGEPRD-UHFFFAOYSA-N 247.338 2.712 30 20 BFED C=C[C@H](CC)CC(=O)Oc1c(C)nn(C)c1C 903617295 PVPFRDAULSHVJX-LLVKDONJSA-N 236.315 2.545 30 20 BFED CCCCN(O)C(=O)[C@@H]1CCO[C@H](CCC)C1 904211805 DRVAABVTCRDNPM-VXGBXAGGSA-N 243.347 2.600 30 20 BFED C=CC[S@](=O)Cc1cccc(OC(F)F)c1 905169827 XSMWGBREAKJQSL-INIZCTEOSA-N 246.278 2.723 30 20 BFED O=[N+]([O-])c1cccc(NN=Cc2ccco2)c1 916269049 OERMICZFHLPOSL-UHFFFAOYSA-N 231.211 2.634 30 20 BFED CCC(=NNc1ccc(Cl)nn1)C(C)C 916288334 XDBOVJGRJMPVCI-UHFFFAOYSA-N 226.711 2.964 30 20 BFED N#Cc1cc(C(=O)NCCCC2CC2)cs1 1118377548 CEPRFRBNWCKXNR-UHFFFAOYSA-N 234.324 2.540 30 20 BFED CC[C@@H]1CCN(c2nccc(C)c2C#N)[C@H]1C 1186184734 MVHHSPDARDOKEY-NWDGAFQWSA-N 229.327 2.887 30 20 BFED Cc1ccc(C#N)cc1NC(=O)NC/C=C/Cl 1201424296 LGERHOPBSMWUCT-GORDUTHDSA-N 249.701 2.741 30 20 BFED N#CCC1CCN(CCc2ccc(F)cc2)CC1 1207515587 UWRJCUHDOGEGJA-UHFFFAOYSA-N 246.329 2.994 30 20 BFED C=CC[C@H](N[C@@H](C)C1CCCC1)C(=O)OCC 1256332596 URVDGHYFJDVOAN-AAEUAGOBSA-N 239.359 2.663 30 20 BFED C=CCCCNC(=O)c1ccnn1[C@H](C)CC 1262795181 FBSWCIRVPPKFGV-LLVKDONJSA-N 235.331 2.550 30 20 BFED Cc1cc(F)ccc1NN=Cc1c(C)n[nH]c1C 1320058953 RTWMPEINYCWKSN-UHFFFAOYSA-N 246.289 2.920 30 20 BFED C=CC(C)(C)CNC(=O)[C@@H](F)Cc1ccccc1 1325292749 SEBVVCUXVATMGI-ZDUSSCGKSA-N 249.329 2.896 30 20 BFED Cc1c(C#N)cccc1C(=O)N[C@H](C)C1CCC1 1327111873 ABTZCJDULGHZFB-LLVKDONJSA-N 242.322 2.785 30 20 BFED C=CC[C@@H]1CCCCC1=NNc1ccn(C)n1 1327679247 DYTBHGZWLTUJBW-LLVKDONJSA-N 232.331 2.954 30 20 BFED CCC[C@H]1CCCN1C(=O)C#Cc1ccccc1 1336136464 SSLCKUPJFGOOKL-HNNXBMFYSA-N 241.334 2.829 30 20 BFED N#CCc1cccc(N2CCC[C@@H]2C2CCC2)n1 1337027548 SWZJTVZJIBZGCZ-CQSZACIVSA-N 241.338 2.917 30 20 BFED C=C(C)CN(CC)c1nnc([C@@H]2C[C@H]2C)n1CC 1339518236 KEHLUPADCIVGRB-VXGBXAGGSA-N 248.374 2.824 30 20 BFED C=CCn1c(CCC)nnc1N1C[C@@H](C)[C@H](C)C1 1340276743 CMOVYFRYGMQHQL-VXGBXAGGSA-N 248.374 2.509 30 20 BFED CCc1nn(C)c(Cl)c1C=NOC(C)(C)C 1341308546 LRGLZEJIMSROPM-UHFFFAOYSA-N 243.738 2.785 30 20 BFED C#C[C@H](CCC)NC(=O)N1CCC[C@H]1CCC 1341600951 RPUQSKPZHXPVRQ-CHWSQXEVSA-N 236.359 2.762 30 20 BFED C=C[C@@H](COC)NC(=O)[C@](C)(CC)CCC 1344391017 BRJWZDGSQWAEIK-WCQYABFASA-N 227.348 2.520 30 20 BFED Clc1ccc(-c2nnc(C#CC3CC3)o2)cn1 1346661674 CIMJSJNGUUUIQV-UHFFFAOYSA-N 245.669 2.547 30 20 BFED C=C(CC)C(=O)Nc1ncc(Cl)s1 1346751815 TVNFGNCJUFGRSN-UHFFFAOYSA-N 216.693 2.701 30 20 BFED C=C(CC)C(=O)N1CCS[C@H]1CCC 1347669548 ADRZUILCFQXRHN-JTQLQIEISA-N 213.346 2.654 30 20 BFED CC(C)(C)ON=Cc1ccc(O)cc1F 1349511893 WSRGOJJYBYNPRY-UHFFFAOYSA-N 211.236 2.680 30 20 BFED C=C(CC(C)C)C(=O)N1CCC[C@@H]1c1cc[nH]n1 1352115820 FULVQIJNFKOREQ-CYBMUJFWSA-N 247.342 2.676 30 20 BFED CN(CC1CCC1)C(=O)c1ccc(C#N)cc1F 1353766235 OSZMEYFNCUPVMV-UHFFFAOYSA-N 246.285 2.569 30 20 BFED CCC[C@@H](C(=O)[C@@H](C#N)c1nccn1C)C(C)C 1356567005 JHRQNIAIFGIPQA-VXGBXAGGSA-N 247.342 2.669 30 20 BFED N#CCc1cccc(NC(=O)Cc2ccco2)c1 1460141712 LDNAEZQJXAMWLH-UHFFFAOYSA-N 240.262 2.527 30 20 BFED C=CC[C@@H](Nc1cc(OC)c(C)cc1C)C(=O)O 1588752463 XGCBENOBSYFNMY-LLVKDONJSA-N 249.310 2.753 30 20 BFED Cc1coc(SCc2cc(C#N)ccn2)n1 1651920305 KWNWSWYJPMRDOQ-UHFFFAOYSA-N 231.280 2.542 30 20 BFED C[C@H](c1cccc(C#N)c1)N(C)c1ncccn1 1655593109 JHTCXCDMVSEHSX-LLVKDONJSA-N 238.294 2.546 30 20 BFED CC(C)[C@H](C)N(C)C(=O)c1cccc(C#N)c1 35238931 LUKBAXSLOBLBCO-NSHDSACASA-N 230.311 2.675 30 20 BFED CC(C)[C@H](C)N(C)CCOc1ccccc1C#N 36787272 FYNIIGGAHVYXCS-ZDUSSCGKSA-N 246.354 2.913 30 20 BFED N#CCOc1cccc(NCc2cscn2)c1 40504641 ATRVZWQQKMUJOU-UHFFFAOYSA-N 245.307 2.658 30 20 BFED CC1(C)C[C@H]1Nc1nc2c(cc1C#N)CCC2 44367664 FWMPJUDILWTQJB-GFCCVEGCSA-N 227.311 2.652 30 20 BFED CC[C@H](C)N(C)C(=O)Nc1ccc(C#N)cc1 47274986 BUQZQSVEARHYMT-JTQLQIEISA-N 231.299 2.820 30 20 BFED C=CCNC(=O)N[C@@H](C)c1cc(C)sc1C 47605634 FTKMMHSPQPMCRB-VIFPVBQESA-N 238.356 2.911 30 20 BFED C#CCNc1ccc(Br)cc1C 49537331 GDCWERHMWNVJMC-UHFFFAOYSA-N 224.101 2.803 30 20 BFED C[C@@H](CC#N)NC(=O)c1ccc(Cl)cc1F 50336070 OFCYVIGOYNPCHX-ZETCQYMHSA-N 240.665 2.511 30 20 BFED N#Cc1cc(NCc2ccco2)ccc1F 51635181 MIZCKMWZUKBVCF-UHFFFAOYSA-N 216.215 2.902 30 20 BFED C=CCOc1cccc(NC(=O)CCCOC)c1 55724829 GTNSZAMBYGAIGI-UHFFFAOYSA-N 249.310 2.617 30 20 BFED Cc1ccc(C(=O)N2CCC(C#N)CC2)c(C)c1 61585935 YSAKRLYYNRNPSH-UHFFFAOYSA-N 242.322 2.679 30 20 BFED CCc1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1 63094145 RYMQYCXQJRPKKC-NSHDSACASA-N 230.311 2.623 30 20 BFED N#CC1(C(=O)Oc2ccccc2F)CCCC1 70795490 OJQZBPJNKYMUTF-UHFFFAOYSA-N 233.242 2.815 30 20 BFED COCCCCNc1cccc(F)c1C#N 76798494 AFNWHJQWQGNQHV-UHFFFAOYSA-N 222.263 2.536 30 20 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2.691 30 20 BFED NCc1ccc(C#Cc2ccccc2)cc1 142934022 QLIYCGBTJLOZHE-UHFFFAOYSA-N 207.276 2.545 30 20 BFED C=CC[C@H](C)NC(=O)NC[C@@]1(C)CCCS1 153142927 BANBZYABZVOAKE-CMPLNLGQSA-N 242.388 2.536 30 20 BFED CCC/C(N)=N/OCCCCC(F)(F)F 154329140 QBZZXZDHSMRFDV-UHFFFAOYSA-N 226.242 2.808 30 20 BFED C=CCN(C)C(=O)N[C@@H]1C[C@H]1c1ccccc1F 154491072 SGLXKOLRIQKBQL-WCQYABFASA-N 248.301 2.509 30 20 BFED C#CCOCCC(=O)N[C@H](CCC)CCCC 155105250 LAPPNLHMNKBKRZ-CYBMUJFWSA-N 239.359 2.501 30 20 BFED CC#CCCN(CCC#N)CC(C)(C)C 155758762 SHQRFZFGEISEMP-UHFFFAOYSA-N 206.333 2.662 30 20 BFED C=CCCNc1ccc(CN(C)C(=O)OC)cc1 157187595 KZCOFSNGWONELT-UHFFFAOYSA-N 248.326 2.873 30 20 BFED COc1ccc(CNc2ccccn2)cc1C#N 157441647 YNJXDBGMLUUMFP-UHFFFAOYSA-N 239.278 2.574 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccc(N)cc1Cl 158387650 KDAMKBZXDOYEKC-MRVPVSSYSA-N 238.718 2.617 30 20 BFED C=CC[C@H](C)N[C@@H](C)c1cnn(CC)c1 161692164 FMEFRUYTRKRCIZ-QWRGUYRKSA-N 207.321 2.518 30 20 BFED C#Cc1cccc(N(C)C(=O)C[C@@H](C)SC)c1 163249755 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211.349 2.744 30 20 BFED C=CCn1cccc1C(=O)NCC1CCCC1 488360974 BMKSNZFCWYBBQU-UHFFFAOYSA-N 232.327 2.594 30 20 BFED C#CCN(CC)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 491745642 XWKGNGGZJHXVIQ-ZBFHGGJFSA-N 241.334 2.662 30 20 BFED CC[C@@H](CC#N)NC(=O)/C=C\C1CCCCC1 492578351 DSTHXKMIMOJJAU-YXVBKTCISA-N 234.343 2.931 30 20 BFED C=CC[C@H](C)NC(=O)/C=C\c1scnc1C 492738876 HCLZSVSCZUMASI-NMTCXDENSA-N 236.340 2.546 30 20 BFED CCSc1ccccc1C(=O)N(CC)CC#N 524466331 BDWZEPPWLMYYLM-UHFFFAOYSA-N 248.351 2.784 30 20 BFED C[C@H](C#N)CN[C@H]1CCC[C@H](c2cccnc2)C1 558631493 XANMAYSQMHLWJP-IPYPFGDCSA-N 243.354 2.857 30 20 BFED CC[C@H](C)C[S@](=O)c1cccc(F)c1C#N 566488845 OSHHCGTWMXPKNS-FVMDXXJSSA-N 239.315 2.851 30 20 BFED CC(C)(C(=O)Nc1cc(CC#N)ccn1)C1CC1 582081128 AZPPBJQNEKNLTH-UHFFFAOYSA-N 243.310 2.522 30 20 BFED CCCN(CC)C(=O)CCCCCC#N 588280675 PSQWQMLHDHIAOM-UHFFFAOYSA-N 210.321 2.719 30 20 BFED CN(Cc1cccc(N(C)C)c1)CC(C)(C)C#N 589165187 MUGMOHUTYVGXQP-UHFFFAOYSA-N 245.370 2.734 30 20 BFED C=CCCCCSCCn1ccccc1=O 591401014 VPODHFPKCDRCJQ-UHFFFAOYSA-N 237.368 2.938 30 20 BFED COc1cc(C)ccc1NC[C@@H](C#N)CCC#N 591773251 FUAQZKNAZRNSJX-GFCCVEGCSA-N 243.310 2.859 30 20 BFED CC[C@@H](C(=O)N(C)[C@@H](C#N)CC)c1ccccc1 594101509 WYCJTFZLYURZQS-ZIAGYGMSSA-N 244.338 2.941 30 20 BFED CCOC1CCC(NCCCCC#N)CC1 595015152 YRAUQMPWRYLGNV-UHFFFAOYSA-N 224.348 2.618 30 20 BFED C=CC[C@H]1CCCN(c2cc(C#N)ccn2)C1 596427815 PYNFJYMEFDOLLW-LBPRGKRZSA-N 227.311 2.746 30 20 BFED C=CC[C@H]1CCCN(C(=O)C2(C#N)CCCC2)C1 597998469 NTNGFWHNGONMHD-ZDUSSCGKSA-N 246.354 2.885 30 20 BFED CC[C@@](C)(NC(=O)[C@@H](C)C#N)c1ccc(F)cc1 601701588 VCVAJUCYWJANEI-IINYFYTJSA-N 248.301 2.727 30 20 BFED C[C@H]1C[C@@H](CCNC[C@H](C)CCC#N)CCO1 602606061 AJTLKJBTBNWEBO-RDBSUJKOSA-N 238.375 2.721 30 20 BFED CC(C)C[C@@H]1C[C@H]1NC[C@H](C)CCC#N 602689247 ARAFTTFADCSCSD-JHJVBQTASA-N 208.349 2.950 30 20 BFED N#CCN(C(=O)c1cc2occc2s1)C1CC1 609856614 QBQKSZJHMSXRKA-UHFFFAOYSA-N 246.291 2.622 30 20 BFED C[C@]1(C#N)CCCN([C@@H]2C=CCCC2)C1 612163716 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C=C[C@@H]1CCCCN1Cc1cc(C)ccn1 683792978 JYJSXWXOQVRADE-CQSZACIVSA-N 216.328 2.931 30 20 BFED C=CCCCCCCNCc1cn(CC)nn1 714927543 GVPSCNNHLJVNNI-UHFFFAOYSA-N 236.363 2.524 30 20 BFED Cc1cc(C#N)ccc1CN1C[C@H]2[C@H](C1)C2(F)F 715416347 OVOSLTNVCOCVGJ-STQMWFEESA-N 248.276 2.564 30 20 BFED Cc1ccc2c(c1)C(=NNc1ncccn1)CC2 730947696 DJQVLHSDWDGJOS-UHFFFAOYSA-N 238.294 2.547 30 20 BFED CC(=NNc1ccccc1)c1nccs1 732623224 ZKLBTXXNIZEGGM-UHFFFAOYSA-N 217.297 2.979 30 20 BFED N#Cc1ccccc1OCCCCCCCO 742447210 CAKWAJGFFMPYAD-UHFFFAOYSA-N 233.311 2.880 30 20 BFED N#CCC1(COC(=O)/C=C/c2ccsc2)CC1 744275708 SJEHPQWDWYUIFF-OWOJBTEDSA-N 247.319 2.998 30 20 BFED CC#CCOC(=O)c1cc(C)sc1C 744583429 CQPUHWMYRWAOII-UHFFFAOYSA-N 208.282 2.545 30 20 BFED C[C@@H](C(=O)OCC#N)c1cccc(Cl)c1 745303480 HTPSLFLVWBDGHF-MRVPVSSYSA-N 223.659 2.510 30 20 BFED C#CCN(CC)[C@H](C)c1ccc(F)cc1F 746137628 NMZAEKDBRXSHIS-SNVBAGLBSA-N 223.266 2.981 30 20 BFED C=CCCCC(=O)OCCOC(C)(C)C 748234345 BORDOTHGKSIDNO-UHFFFAOYSA-N 214.305 2.701 30 20 BFED COCC(=NOCc1ccccc1)C1CC1 754261530 WWZMVCOGWPNKLS-UHFFFAOYSA-N 219.284 2.616 30 20 BFED Oc1cccc(Cl)c1C=NNC1CCCC1 755688640 BVEKVSVASFPGJK-UHFFFAOYSA-N 238.718 2.912 30 20 BFED C#CCNC(=S)N1CCC[C@@H]1CCCCC 758253665 XCHWJDZRTIZBFW-LBPRGKRZSA-N 238.400 2.539 30 20 BFED CCCCCCCCNC(=O)c1cnco1 759680833 ZJRDVMFWOGHTRH-UHFFFAOYSA-N 224.304 2.765 30 20 BFED CC(C)(C)[C@@H](C#N)NC(=O)C(F)=C1CCCC1 763061106 DFBJHHXCQRFDOO-SNVBAGLBSA-N 238.306 2.838 30 20 BFED C[C@H](C#N)CNN=C1CC[C@@H](C)[C@@H](C)C1 767387367 HUFUDJPLQHQPLL-MXWKQRLJSA-N 207.321 2.548 30 20 BFED CCCNC(=S)Nc1cccc(C#N)c1C 769795792 RKIPDDOQWPXWNO-UHFFFAOYSA-N 233.340 2.563 30 20 BFED CC(CCCC(C)C)=NNC[C@H](C)C#N 771095451 APTJVBUEGPCURY-LLVKDONJSA-N 209.337 2.938 30 20 BFED C[C@H](NC(=O)CC#N)c1csc2ccccc12 772871024 ZDHSUGULXWWDJR-VIFPVBQESA-N 244.319 2.992 30 20 BFED C=C(C)CNC(=S)N1CCc2cc(C)ccc21 773160373 KMPLIPDFHGTMGF-UHFFFAOYSA-N 246.379 2.808 30 20 BFED CCOCCON=C(C)c1ccccc1F 774416703 JYWKWOYCLVRGTA-UHFFFAOYSA-N 225.263 2.603 30 20 BFED C[C@@H]1CCCC1=NN[C@@H]1C[C@H]2CC[C@H]1C2 774593057 KJMIBOWIHPYEJF-MPPDQPJWSA-N 206.333 2.941 30 20 BFED Cc1ncc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)s1 774598239 XFNGHWVCCCLNHK-JBLDHEPKSA-N 235.356 2.564 30 20 BFED C=C(C)CCOc1ccc(C(=O)OC)cc1C=O 775197182 XLNMOKNZSQESAQ-UHFFFAOYSA-N 248.278 2.631 30 20 BFED CCOc1ccc(C=O)c(OCC2(C#N)CC2)c1 777889137 SUWNNIFHSVWBOT-UHFFFAOYSA-N 245.278 2.580 30 20 BFED C=C(C)CN(C)C(=O)c1nc(Cl)ccc1F 778123176 RJPNAEUEOALVQL-UHFFFAOYSA-N 242.681 2.522 30 20 BFED C#CCCCCCc1nc(-c2ccncc2)no1 779744576 XBYNQCFMVDEIEO-UHFFFAOYSA-N 241.294 2.868 30 20 BFED C=CCC(CC=C)C(=O)NC[C@@H]1CCC=CO1 781066159 BNDCVCWBIGEMSL-ZDUSSCGKSA-N 235.327 2.564 30 20 BFED CC(C)(C#N)CCCOC(=O)c1cscn1 783263136 KUOGATAZSPIKHW-UHFFFAOYSA-N 238.312 2.630 30 20 BFED Cc1cc(C=NNCCC(C)(C)C)sn1 785462534 WBENMJWJGLXBBK-UHFFFAOYSA-N 225.361 2.811 30 20 BFED Cc1ccc(C=NNCCc2ccncc2)s1 789085135 GLKFEEXQDLHESA-UHFFFAOYSA-N 245.351 2.618 30 20 BFED CC[C@H](C)NN=C(C)c1ccc(N(C)C)cc1 790181484 DVKBHWLPNLGVNM-NSHDSACASA-N 233.359 2.865 30 20 BFED Cc1cc(C)c(C=NNc2ncccc2C)[nH]1 790193141 VKKLVCDMSKBHBP-UHFFFAOYSA-N 228.299 2.781 30 20 BFED CC(Cc1cccs1)=NNc1nccn1C 790300699 ZAROJKMXLGLVNF-UHFFFAOYSA-N 234.328 2.512 30 20 BFED CCCCCCC(C)=NN(C)CCOC 794973917 YLFFOBUZUGQVOH-UHFFFAOYSA-N 214.353 2.911 30 20 BFED Cc1cc(COC(=O)c2ccc[nH]2)ccc1C#N 797858905 IUFDBDWVTRAWCH-UHFFFAOYSA-N 240.262 2.552 30 20 BFED CCOCC(C)=NOCc1ccccc1OC 799116815 DWLHOBYJWIMTLX-UHFFFAOYSA-N 237.299 2.624 30 20 BFED CCc1cccc(C)c1NN=C[C@H]1CCOC1 799495619 USGWQTOARKNCSL-GFCCVEGCSA-N 232.327 2.992 30 20 BFED CC(C)CC[C@@H]1CCCN1CCO[C@H](C)C#N 801929097 DZRODLHCJQVOJE-KGLIPLIRSA-N 238.375 2.816 30 20 BFED CC[C@](C)(C#N)C(=O)OC/C(Cl)=C/Cl 803784082 LNVBOXJTLXWUML-WQAKUFEDSA-N 236.098 2.788 30 20 BFED C(=NNCC1CCCC1)c1ccc2c(c1)CCO2 808006649 WZHQABIGGQSWRW-UHFFFAOYSA-N 244.338 2.735 30 20 BFED CON=C(C[C@@H]1CCCO1)c1ccc(F)cc1 811638481 PJUJNSVOBHQUDT-LBPRGKRZSA-N 237.274 2.745 30 20 BFED CC(=O)Nc1ccc(C=NOC2CCC2)cc1 812235107 LVXAHKDOFWHCGA-UHFFFAOYSA-N 232.283 2.548 30 20 BFED c1cnc2c(c1)CCCC2=NOCCC1CC1 814244888 MTVNTMNEGYNQIP-UHFFFAOYSA-N 230.311 2.939 30 20 BFED Fc1ccc(CON=C[C@H]2CCCOC2)cc1 814903678 VGZGOABVLJUOHA-GFCCVEGCSA-N 237.274 2.755 30 20 BFED CCCC(=NN[C@@H]1CCSC1)c1ccccn1 814933173 GQIUCTWEKAGPTA-LLVKDONJSA-N 249.383 2.681 30 20 BFED C[C@@H](NN=Cc1nccs1)C(C)(C)C 814937440 GMGYZMDBXMFVOT-MRVPVSSYSA-N 211.334 2.501 30 20 BFED C#CCN(C)CCCN[C@H](CC)[C@H](C)CCC 815652640 KZGDDCZXFYIPFS-HUUCEWRRSA-N 238.419 2.746 30 20 BFED C=CCC(F)(F)C(=O)N[C@@H](C)CC(C)C 815861945 HKICIRZEEMYZNQ-VIFPVBQESA-N 219.275 2.749 30 20 BFED CN(C)C1CCC(/N=C\c2ccccc2O)CC1 817708117 TYNJIPMMPRJDHP-WJDWOHSUSA-N 246.354 2.684 30 20 BFED C=CC(C)(C)COC(=O)[C@]1(C)CC1(F)F 817740597 ORYOBUISQDMOOA-JTQLQIEISA-N 218.243 2.787 30 20 BFED C#C[C@@H](C)NC(=O)NC(C)(C)c1ccccc1C 820400251 LTOVZJZTGVZKEY-GFCCVEGCSA-N 244.338 2.551 30 20 BFED C#C[C@@H](C)NC(=O)N1CCC(C2CCCC2)CC1 820428150 NGWGSQVRZGINFZ-GFCCVEGCSA-N 248.370 2.620 30 20 BFED C=CCCCC(=O)NCc1ccnc(Cl)c1 823639287 OGYJOHOZMGCNEV-UHFFFAOYSA-N 238.718 2.708 30 20 BFED CCN(C(=O)[C@H](C)c1ccccc1C)[C@@H](C)C#N 825634922 JQBCKJUSBFOTTI-QWHCGFSZSA-N 244.338 2.859 30 20 BFED C#CC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 826714719 GWKQGLSRBXPWHQ-UHFFFAOYSA-N 244.294 2.753 30 20 BFED CC(C)C#CC(=O)N[C@@H](C(C)(C)C)C(F)(F)F 828949218 VNWNTNNCXSDEFF-JTQLQIEISA-N 249.276 2.739 30 20 BFED COc1cc(C=NNC2CC2)cc2ccccc12 834969265 QZLZBLPPUZPEDV-UHFFFAOYSA-N 240.306 2.934 30 20 BFED C=CCON=C1CSCCc2ccccc21 835012993 CUMRDAGGYZREEL-UHFFFAOYSA-N 233.336 2.883 30 20 BFED C=CCON=C1C[C@H](C)c2c(F)ccc(O)c21 835016321 SYCSZHYXDAVLPZ-QMMMGPOBSA-N 235.258 2.945 30 20 BFED CC1CCC(CNC(=O)C#CC(C)(C)C)CC1 837364375 YBVLUEWXTUFUBM-UHFFFAOYSA-N 235.371 2.978 30 20 BFED C#CCCCCNC(=O)N[C@@H]1C[C@@]1(C)C(C)C 838513849 LCGZUHQMFNRALC-OCCSQVGLSA-N 236.359 2.524 30 20 BFED COc1ccc(NN=C2COC(C)(C)C2)cc1 841631992 IFDZHNONLSQEHW-UHFFFAOYSA-N 234.299 2.662 30 20 BFED C#CCCCCCOC(=O)[C@H](CC(C)C)OC 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2.998 30 20 BFED C#Cc1cccc(NC(=O)NCCC(C)(C)F)c1 854263130 VQGTVBFASWFHAX-UHFFFAOYSA-N 248.301 2.928 30 20 BFED C#CCC1(C(=O)N2CC[C@H]3C[C@@H]3C2)CCCCC1 856067046 ZJSUOUFGHCALJZ-UONOGXRCSA-N 245.366 2.829 30 20 BFED C#CCCOC(=O)N(C)c1ccc(C)cc1 858931889 BZRXLAUQNCJVDV-UHFFFAOYSA-N 217.268 2.591 30 20 BFED C#CCCOC(=O)N(C(C)C)C1CCCC1 858935429 RHBFZTIVMVTLKR-UHFFFAOYSA-N 223.316 2.799 30 20 BFED C=C(C)COC(=O)C[C@H](C)c1ccco1 859815519 VEYFZJFPGWYFOL-JTQLQIEISA-N 208.257 2.893 30 20 BFED C#CC[C@@H](CCOC)N[C@H](C)C1CCCC1 862549230 XPBCEYIRKQGVKY-OCCSQVGLSA-N 223.360 2.583 30 20 BFED Cc1ccnc(NN=Cc2cnc(C3CC3)o2)c1 863101492 VXUSAGUWPNOUMD-UHFFFAOYSA-N 242.282 2.701 30 20 BFED CSCCON=C1CCCc2scnc21 863109124 BCFVOCBHNKRFBU-UHFFFAOYSA-N 242.369 2.563 30 20 BFED CC[C@@H](C)Cc1noc(-c2ccc(C#N)o2)n1 867136156 AKOIICHMUZHKOX-MRVPVSSYSA-N 231.255 2.790 30 20 BFED C=CCCC[C@H](C)OC(=O)c1nocc1C 870268368 QHVFMXRWKJAQRY-JTQLQIEISA-N 223.272 2.885 30 20 BFED C[C@@H]1OCC[C@@H]1CON=Cc1cccc(F)c1 871723663 OYTOGXLKXOTZHJ-CMPLNLGQSA-N 237.274 2.601 30 20 BFED Cc1ccc(NN=C2CCOC(C)(C)C2)nc1 872347968 JXCQERMEVSEKAJ-UHFFFAOYSA-N 233.315 2.747 30 20 BFED C=CC(C)(C)CC(=O)N1CCC(C)(C#N)CC1 879422251 HKHIZYDCECGCIF-UHFFFAOYSA-N 234.343 2.741 30 20 BFED C=CCN(CCC#N)C(=O)CC(C)(C)C=C 880088851 VWDJTABMLTVUQV-UHFFFAOYSA-N 220.316 2.517 30 20 BFED C=CC(C)(C)CC(=O)Nc1cc(OC)ccc1N 884009989 OKGJFPNMKAGZNV-UHFFFAOYSA-N 248.326 2.818 30 20 BFED CC(C)[C@H](Cc1ccccc1)NCCC#N 886423899 SMIFRDCJQKCLQA-AWEZNQCLSA-N 216.328 2.757 30 20 BFED C=CCCn1cc(-c2csc(C3CC3)n2)nn1 887389079 IOLMIRDEJCNMFM-UHFFFAOYSA-N 246.339 2.855 30 20 BFED Cc1coc(C(=O)OC2(CC#N)CCC2)c1 892984001 PZOVQPDNQMRLIU-UHFFFAOYSA-N 219.240 2.581 30 20 BFED C=C1CCC(C(=O)Nc2cn(C)nc2CC)CC1 897305744 CXUOWQVFRIKQDJ-UHFFFAOYSA-N 247.342 2.667 30 20 BFED C#Cc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1 898499463 QPMGIZLPCMEWTL-OCCSQVGLSA-N 210.280 2.772 30 20 BFED CS[C@@H]1CCCC(=NNc2cccnn2)C1 901195221 DGULUEJBHWCIKO-SNVBAGLBSA-N 236.344 2.550 30 20 BFED CC[C@H](NC[C@H](C)COC)c1cccc(C#N)c1 902766163 FSRUFBLGKBBOSZ-WFASDCNBSA-N 246.354 2.881 30 20 BFED C=C(CC)COc1cccc2c1OC(=O)NC2 902803090 HZMRIYQGTUQLNP-UHFFFAOYSA-N 233.267 2.634 30 20 BFED C=CC[S@](=O)Cc1ccccc1OCC 905169300 WSPDVCNAQONLJI-HNNXBMFYSA-N 224.325 2.520 30 20 BFED C=CC[S@](=O)Cc1ccc(CC)cc1 905209079 GQDJNZDNQILAAX-AWEZNQCLSA-N 208.326 2.684 30 20 BFED C[C@H](CCC1CC1)NC(=O)c1ccsc1C#N 907436962 MBIIFAMNYJVWGS-SECBINFHSA-N 248.351 2.928 30 20 BFED C[C@H]1CCC[C@@H]1CNC(=O)c1ccsc1C#N 907976169 ZBKYRAKORVHWLL-VHSXEESVSA-N 248.351 2.786 30 20 BFED C=C[C@H](CC)CC(=O)OC[C@@H]1CCO[C@@H]1C 909522320 MGPIIDAHOXRQQY-UTUOFQBUSA-N 226.316 2.557 30 20 BFED CCCNN=Cc1ccc(OCCC)cc1 915965210 JYEUNRPIJAXNQP-UHFFFAOYSA-N 220.316 2.809 30 20 BFED C=C[C@@H](CC)CC(=O)N(C(C)C)C1CC1 931833460 FUSXNGPBKSWILQ-NSHDSACASA-N 209.333 2.988 30 20 BFED Cc1c([C@@H](C)N[C@@H](C)CC(C)(C)C#N)cnn1C 1119622144 CGFFYIAZUYLPLC-WDEREUQCSA-N 248.374 2.708 30 20 BFED Cc1ccc(-c2nc(C)cc(C#N)n2)cc1 1239475995 DSQGBRABDLSRDW-UHFFFAOYSA-N 209.252 2.632 30 20 BFED CCN1CCC(=NOC(C)(C)C)[C@@H](C)C1 1253789740 VKXCAVHEEDQJNO-JTQLQIEISA-N 212.337 2.519 30 20 BFED C=CCN(C)C(=O)C(F)(F)c1ccccc1C 1255289404 YMDBWSARKMXEMM-UHFFFAOYSA-N 239.265 2.731 30 20 BFED N#Cc1ccccc1SCc1cccnc1N 1307303002 LDQGJPGLUDLSTK-UHFFFAOYSA-N 241.319 2.828 30 20 BFED C=CC[C@H](NCc1ccc(C)cc1)C(=O)OCC 1320768701 UQABBTNODSPTEY-AWEZNQCLSA-N 247.338 2.592 30 20 BFED C[C@H]1CCCC[C@H]1C=NNc1ccn(C)n1 1320806006 OJNSTKQDNHFBOG-QWRGUYRKSA-N 220.320 2.644 30 20 BFED CN(C)[C@@H]1CCCC[C@H]1/N=C\c1ccccc1O 1321693277 GBBAEPBFISIZDT-FWEMMINBSA-N 246.354 2.684 30 20 BFED Cc1c(C#N)cccc1NC(=O)NOC(C)(C)C 1327139346 JNIHUKUAYYDPFL-UHFFFAOYSA-N 247.298 2.718 30 20 BFED C=CC[C@@H](NCc1ccccc1C1CC1)C(=O)O 1334017837 WYEDQOMOFYLTEN-CQSZACIVSA-N 245.322 2.683 30 20 BFED C=C(C)CCC(=O)N(C)c1c(C)noc1C 1335823968 MRKGZDZFGJKMRU-UHFFFAOYSA-N 222.288 2.611 30 20 BFED C=C(Cl)CNC(=O)N1CCC[C@H]1CCC 1340064874 VEVCAMQKAMGGTR-SNVBAGLBSA-N 230.739 2.713 30 20 BFED C=C[C@@H](CC)CC(=O)NC/C=C/C1CC1 1342457750 FDQMXXUOUKUYPE-QRGHLMKCSA-N 207.317 2.671 30 20 BFED C=C1CCC(C(=O)O[C@H]2C=CCC2)CC1 1343405000 MIGSSULWZMIDLA-LBPRGKRZSA-N 206.285 2.995 30 20 BFED CC[C@@H](CC#N)OC(=O)c1ccnn1[C@@H](C)CC 1343502945 LTZDSBXGISMUML-QWRGUYRKSA-N 249.314 2.703 30 20 BFED C=C(CC)C(=O)NCC1(CC(C)C)CC1 1346677181 JWVMWQFRHRBZQZ-UHFFFAOYSA-N 209.333 2.895 30 20 BFED C=C(CC)C(=O)NCCCN(C)c1ccccc1 1350830492 JJCHRGNTVKZYQS-UHFFFAOYSA-N 246.354 2.595 30 20 BFED C=CCCO[C@H](C)C(=O)N1CC[C@@H]1C(C)(C)C 1515116242 YLLMUERULITQKK-VXGBXAGGSA-N 239.359 2.615 30 20 BFED C=CCCCCS[C@H](C)CC(=O)O 1588802424 LRSKJSGGTAOLOG-SECBINFHSA-N 202.319 2.939 30 20 BFED CC[C@@H]1CCN(C(=O)C2(C#N)CC(C)C2)[C@H]1C 1634529491 CGTQRDUFLNEKOS-MRFPXMQZSA-N 234.343 2.573 30 20 BFED C=C(C)CCCN(CCC(=O)O)CC(C)C 1776138581 IXLMOOXIJGHWMX-UHFFFAOYSA-N 227.348 2.775 30 20 BFED C#Cc1ccccc1OCCC(F)(F)F 1898210217 BMKWYAWELAWGSJ-UHFFFAOYSA-N 214.186 2.999 30 20 BFED N#CCCNCc1ccccc1C(F)(F)F 20199354 KJEFQTMFIIYNPE-UHFFFAOYSA-N 228.217 2.709 30 20 BFED N#Cc1ccc(F)c(CNC(C2CC2)C2CC2)c1 42237297 LZJKJTDGARGFRX-UHFFFAOYSA-N 244.313 2.976 30 20 BFED C[C@H](NCc1cccn1C)c1ccc(C#N)cc1 50595397 XHUCXLCRIZNWQD-LBPRGKRZSA-N 239.322 2.748 30 20 BFED CC[C@@H](C)[C@H](C)NC(=O)c1sccc1C#N 52032862 ZIIZLUIVEOFUTI-BDAKNGLRSA-N 236.340 2.784 30 20 BFED N#Cc1cccc(C(=O)OC2CCCC2)c1 66775805 DIDZOVSIAJQCQC-UHFFFAOYSA-N 215.252 2.658 30 20 BFED CC(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 70124038 OTZVQYICFIWTLL-NSHDSACASA-N 222.332 2.621 30 20 BFED N#CCN(C(=O)CC1CCC1)c1ccccc1 74725268 OTMPQGBJUXZOFW-UHFFFAOYSA-N 228.295 2.733 30 20 BFED Cc1ccc(NC(=O)c2cc(C#N)cs2)nc1 84071448 NLHFPHANXARWBZ-UHFFFAOYSA-N 243.291 2.576 30 20 BFED CCCCC/C(O)=N/S(=O)(=O)C1CCCC1 86056500 SGGTZDYFBJWZJS-UHFFFAOYSA-N 247.360 2.796 30 20 BFED CC(C)(C#N)CCS(=O)(=O)C1CCCCC1 87611102 QMGWVIOIPXNUMZ-UHFFFAOYSA-N 243.372 2.674 30 20 BFED COc1ccc(CN[C@H]2CC=CCC2)cc1C#N 88747974 ROTQLWNAKABQMS-AWEZNQCLSA-N 242.322 2.765 30 20 BFED COC[C@@H](C)N[C@H](CCC#N)c1ccccc1 90664938 XVUMSUHPRHDUEV-TZMCWYRMSA-N 232.327 2.656 30 20 BFED C=CCCC(=O)N[C@H](C)c1cc(OC)ccc1O 103528636 YOJZBBVAVPOORA-SNVBAGLBSA-N 249.310 2.544 30 20 BFED COc1ccncc1NCc1ccc(C#N)cc1 119192778 ZDJGDIRFOBPSBR-UHFFFAOYSA-N 239.278 2.574 30 20 BFED C[C@@H]1CC[C@H](OC(=O)CSCC#N)[C@H](C)C1 122861120 OFTQRSKALWKJFD-MXWKQRLJSA-N 241.356 2.611 30 20 BFED CC[C@@H](C#N)Sc1nnc(OC(C)C)s1 127545406 ZLMUPSBXXFWUGL-ZETCQYMHSA-N 243.357 2.720 30 20 BFED CCC(CC)CN(CCC#N)Cc1ccnn1C 130240782 OQRGPDBDOXRCDS-UHFFFAOYSA-N 248.374 2.572 30 20 BFED C=CCC[C@H](C)NC[C@@](C)(O)[C@H](C)CC 134920386 UXLFVCQLLWRCGU-FRRDWIJNSA-N 213.365 2.728 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1ccc(OC)nc1 135459249 PFQAHMBKISKDAJ-CYBMUJFWSA-N 234.299 2.631 30 20 BFED C=C(C)CSCC(=O)NCCC(C)(C)C 155059401 RWYXAFSDRGOMMF-UHFFFAOYSA-N 229.389 2.848 30 20 BFED C=CCCNC(=O)Nc1ccc(C)cc1 162410457 UKJIHSSIMRDDTF-UHFFFAOYSA-N 204.273 2.693 30 20 BFED C=C(Cl)CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 162586384 TVYYKGKKAPTTBE-AXFHLTTASA-N 229.751 2.532 30 20 BFED C=CC[C@@H](C)NC1CCN(c2ccncc2)CC1 162645730 AOEPSBFTDABMOU-CYBMUJFWSA-N 245.370 2.605 30 20 BFED C=CCCN[C@H]1CCc2cc(F)ccc21 166519035 XXXWNTOYHCBWGQ-ZDUSSCGKSA-N 205.276 2.979 30 20 BFED COC[C@@H](C)SCc1ccccc1C#N 173737000 VZGHXDBMYXWNOV-SNVBAGLBSA-N 221.325 2.826 30 20 BFED C=CCNC(=O)N[C@@H]1CCCC[C@H]1SCC 175632081 CCTNUTPLYMWEHU-GHMZBOCLSA-N 242.388 2.536 30 20 BFED C=CCCOC(=O)c1ccc(C)cc1F 176723091 MTQKEJMKNVAZOF-UHFFFAOYSA-N 208.232 2.867 30 20 BFED C=CC[C@H](C)NC(=O)c1cn(CCCC)nc1C 184561109 WMXPGGIPJVUFFE-NSHDSACASA-N 249.358 2.686 30 20 BFED C[C@H]1CCC[C@@H]1CC(=O)NCCCCC#N 184706568 SWTURZBZFGUXFR-NWDGAFQWSA-N 222.332 2.623 30 20 BFED C=CCCCN(C)C(=O)c1ccc(CC)nc1C 186025872 LNPNBDGWFVNNGH-UHFFFAOYSA-N 246.354 2.991 30 20 BFED C#C[C@H](C)NC(=O)N[C@@H](C)c1cccc(C)c1C 186051268 AFXBZQHVJBUJRT-AAEUAGOBSA-N 244.338 2.685 30 20 BFED C=CCC(CC=C)C(=O)N1CC=C(COC)CC1 186228109 JCDOMDCUDCQPCF-UHFFFAOYSA-N 249.354 2.560 30 20 BFED C#CCCCC(=O)Oc1ccc(C(C)=O)cc1F 192273707 BDZWQOJWCSERGG-UHFFFAOYSA-N 248.253 2.737 30 20 BFED C=CCCCCCN1CCC[C@]1(CC)CO 193574295 JPUWZHKHZLAYLA-CQSZACIVSA-N 225.376 2.970 30 20 BFED N#Cc1ccccc1C(=O)/C=C/c1cccnc1 194587816 AOPUWMXOANOMKI-BQYQJAHWSA-N 234.258 2.849 30 20 BFED C#C[C@H](CC)NCc1cc(C)cc(C)c1 229891525 NYSIDTUKGJNBBD-CQSZACIVSA-N 201.313 2.805 30 20 BFED C=CCCCCCN1CCC[C@](C)(O)CC1 230377591 QJMMAHYZSWBODU-AWEZNQCLSA-N 225.376 2.970 30 20 BFED C#C[C@H](CCC)NC(=O)CCCc1ccccc1 233357194 WEZBYUMSFXAAHU-OAHLLOKOSA-N 243.350 2.927 30 20 BFED C[C@@H]1CCN(C[C@@H](C#N)CCC#N)C[C@@H](C)C1 246802513 SUSPLBQZKDEIKB-HZSPNIEDSA-N 233.359 2.798 30 20 BFED C#C[C@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 248508229 ZLJASKZIXMPWFS-XDQVBPFNSA-N 233.355 2.731 30 20 BFED Cc1ccc(C=NOCc2cccnc2)cc1 255632961 ZZOFTKFFVPZVPS-UHFFFAOYSA-N 226.279 2.941 30 20 BFED C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)[C@@H]1C 267722140 UWXHUCPALVQIBN-VHSXEESVSA-N 245.282 2.701 30 20 BFED CN(C(=O)C=C1CCC1)c1ccccc1C#N 269865533 SQIFXJXFONZEJR-UHFFFAOYSA-N 226.279 2.631 30 20 BFED C=C(C)[C@@H](CC(=O)N[C@@H]1CC=CCC1)OCC 270058084 OGGGZDULLAKGGX-CHWSQXEVSA-N 237.343 2.583 30 20 BFED CC1=CCN(CCOc2cccc(C#N)c2)CC1 270129157 GVZAQKUDDDTQEI-UHFFFAOYSA-N 242.322 2.589 30 20 BFED C#CCCCN1CCOC[C@@H]1c1ccc(CC)o1 271079607 YCDXVXLTHFUBRF-CQSZACIVSA-N 247.338 2.629 30 20 BFED C#CC[C@H](N[C@@H](C)[C@@H]1CCOC1)c1ccccc1 271512845 NHUJKEBJYXDKFQ-IMJJTQAJSA-N 243.350 2.766 30 20 BFED C[C@@H](NCCCC#N)c1ccc(C#N)c(F)c1 273288889 RYKVNKGCQZOBDY-SNVBAGLBSA-N 231.274 2.652 30 20 BFED C#CCN(Cc1cccc2cccnc12)C1CC1 274238677 XPQUINFHUYAWCG-UHFFFAOYSA-N 236.318 2.832 30 20 BFED Cn1cc(CN2CCC[C@@H]2C(C)(C)C)cc1C#N 276727296 GMFKCJFYAKWIBX-CQSZACIVSA-N 245.370 2.907 30 20 BFED N#Cc1cc(F)c(N2CCC=C(F)C2)c(F)c1 278279610 BQGCHFYMUVAPTH-UHFFFAOYSA-N 238.212 2.900 30 20 BFED CCN(CC(C)C)C(=O)c1cc(C#N)oc1C 280520657 FRPDIUAVXSUPDS-UHFFFAOYSA-N 234.299 2.578 30 20 BFED CC[C@](C)(C#N)C(=O)Nc1ccc(O)c(C)c1 285785238 OMNFPHFRZBXXED-CYBMUJFWSA-N 232.283 2.579 30 20 BFED C#C[C@H](Nc1nc(Cl)c(C#N)s1)C(C)C 287929939 XEIZUJBUJGXWFQ-ZETCQYMHSA-N 239.731 2.738 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1ccnc(OC)c1 289588334 IETRPEYQPJRWCM-CYBMUJFWSA-N 234.299 2.631 30 20 BFED C=C[C@@](C)(CC)C(=O)N[C@H](C)C(F)(F)F 290078414 KOCTVXFPTWKELA-APPZFPTMSA-N 223.238 2.656 30 20 BFED C=CCN(CCC#N)C(=O)C[C@H](C)CC(C)C 292229162 CSMAOANZMDPCST-CYBMUJFWSA-N 236.359 2.987 30 20 BFED C=CCC(C)(C)CNc1cc(C)nc(COC)n1 293198057 UOVJVPWDFXBITF-UHFFFAOYSA-N 249.358 2.946 30 20 BFED C#CCN(C(=O)N[C@H](C)CCC=C(C)C)C1CC1 298016041 FJFSHWWCWCRQHA-CYBMUJFWSA-N 248.370 2.929 30 20 BFED CCN(CC#N)[C@H]1CCc2ccc(F)cc21 298126505 NERUYMRHCLBTCL-ZDUSSCGKSA-N 218.275 2.658 30 20 BFED C[C@@H](C#N)CN(C)C(=O)C[C@@H](C)c1ccccc1 299234669 GCEUBLUMLIKEAZ-QWHCGFSZSA-N 244.338 2.798 30 20 BFED Cc1cc2cc(Nc3nccnc3C#N)ccc2[nH]1 301183860 OGESUKJTVWDVQW-UHFFFAOYSA-N 249.277 2.882 30 20 BFED CCCC[C@H](C)C(=O)N[C@@H]1CCC[C@H]1C#N 304221480 VMBXBDLJPXCLLG-SDDRHHMPSA-N 222.332 2.621 30 20 BFED 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224.392 2.711 30 20 BFED CO[C@H]1CCCCC1=NN[C@H](C)c1ccncc1 819816220 YXFCSXNUUBGUTD-RISCZKNCSA-N 247.342 2.677 30 20 BFED C=C(C)C(C)(C)C(=O)OC[C@@]1(C)C[C@H]1F 822151088 REJDQKUOJKEBHD-BXKDBHETSA-N 214.280 2.880 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]1c1ccco1 822854778 RSHDDVSFTGUQNL-QJPTWQEYSA-N 233.311 2.854 30 20 BFED Cc1ccc(O)c(CN2CCC[C@H](CC#N)C2)c1 826862133 VNZWLQGDNCJFAI-CYBMUJFWSA-N 244.338 2.826 30 20 BFED C[C@]1(CN2CCC(C#N)CC2)CC1(Cl)Cl 827589123 ZBFUQVFJIZGTSZ-SNVBAGLBSA-N 247.169 2.806 30 20 BFED Oc1cccc2c1C(=NNC1CCCCC1)CC2 834971955 IMTUPFZJLSAVCL-UHFFFAOYSA-N 244.338 2.965 30 20 BFED Brc1c[nH]c(C=NOC2CCC2)c1 834980051 UMXSBCDRKUOPHT-UHFFFAOYSA-N 243.104 2.680 30 20 BFED C=CCON=C1CCOc2cc(F)ccc21 835016488 ZNIFCNDQSNWJEO-UHFFFAOYSA-N 221.231 2.515 30 20 BFED C=CCCC(=O)OCC[C@@H](C)SC 835664544 AVPSXXOCDWSKCU-SECBINFHSA-N 202.319 2.637 30 20 BFED C#C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1 836405826 FEZFCROCOSRFMQ-MROQNXINSA-N 236.359 2.522 30 20 BFED 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BFED C=C[C@H](COC)N[C@@H]1C[C@@H](C)CC[C@@H]1C 1325316410 SAVLOPPEKULCHL-WUHRBBMRSA-N 211.349 2.602 30 20 BFED C=C(C)CCC(=O)NCc1ccc(OC)cc1 1335383832 HTMGMGBRLDOQOJ-UHFFFAOYSA-N 233.311 2.668 30 20 BFED C#Cc1ccc(N2C[C@H](C)[C@@H](C)[C@H]2C)nc1 1336659728 DBAQPMIBLYCRRA-QJPTWQEYSA-N 214.312 2.544 30 20 BFED C=C[C@@H](COC)NCc1ccc2occc2c1 1343223185 FHYKALZVSITXNE-ZDUSSCGKSA-N 231.295 2.723 30 20 BFED C#Cc1ccc(COC(=O)CSC2CC2)cc1 1345887751 PHXWHQVIJKKVIY-UHFFFAOYSA-N 246.331 2.607 30 20 BFED C=CC(C)(C)CC(=O)O[C@H](C#N)C(C)C 1523933230 IPSYQBMQFTWYKH-SNVBAGLBSA-N 209.289 2.680 30 20 BFED C=CCCCCN1CCC[C@H](CC(=O)O)C1 1588457844 GLEKPCQOGDUADD-GFCCVEGCSA-N 225.332 2.529 30 20 BFED Cc1cc(CS[C@H](C)C(=O)O)ccc1C#N 1594306430 IXIPMNKVTDEHBK-SECBINFHSA-N 235.308 2.573 30 20 BFED C=CCCSCc1ccc(C(=O)O)cn1 1602881210 WBZUSFPUNDSALY-UHFFFAOYSA-N 223.297 2.589 30 20 BFED C=CC[C@]1(C(=O)O)CCCN(CC/C=C/C)C1 1776156560 VQSSPIIHULCLFR-KQIUPUNMSA-N 237.343 2.696 30 20 BFED C=CCC1(C(=O)O)CCN(CC(=C)CC)CC1 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C=CCCNc1cccc(OC)c1[N+](=O)[O-] 168872788 IEJLJTFXUACLMI-UHFFFAOYSA-N 222.244 2.591 30 20 BFED C[C@@H]1CCC[C@H](NC(=O)NCCCCC#N)C1 171742610 BYTAOQDUXZUYKY-NEPJUHHUSA-N 237.347 2.558 30 20 BFED C=CCCCC(=O)NCc1ccc(OC)cc1 175111531 BETJQUHYTSCMSK-UHFFFAOYSA-N 233.311 2.668 30 20 BFED C=CCCCC(=O)N1CCC[C@H](CC)C1 175275232 GKKFGIRTKYKNRW-LBPRGKRZSA-N 209.333 2.991 30 20 BFED C=CCCCC(=O)N(C)Cc1cnc(C)s1 175359637 ZXVLLPDBPLRVNU-UHFFFAOYSA-N 238.356 2.766 30 20 BFED Cc1c(C#N)cccc1NC(=O)CCOC(C)C 178638087 CUBVVZBYALRCNI-UHFFFAOYSA-N 246.310 2.620 30 20 BFED C=C(C)COC(=O)C[C@H](C)c1c(C)noc1C 178993234 KKGQWARMFQPBFS-VIFPVBQESA-N 237.299 2.904 30 20 BFED C#CCCCCC(=O)Nc1ccccc1OC 179610074 ZSHPICMXUYQYFH-UHFFFAOYSA-N 231.295 2.827 30 20 BFED C=C(C)CN(C)C(=O)[C@@H](OCC)c1ccccc1 180460959 VNACNXVGRWJKJT-AWEZNQCLSA-N 247.338 2.799 30 20 BFED C=C(C)CN(C)C(=O)Nc1ccc(C)nc1C 181786613 LYJCMMVKLAKQGB-UHFFFAOYSA-N 233.315 2.738 30 20 BFED CC#CCCCC(=O)N1CCc2ccccc21 184876539 OZQFQHZCLYVGMO-UHFFFAOYSA-N 227.307 2.769 30 20 BFED C#CCC(C)(C)C(=O)N1C[C@@H](C)C[C@H](C)C1 184892724 WDSUHXXQSYNRRZ-RYUDHWBXSA-N 221.344 2.540 30 20 BFED C#CCC(C)(C)C(=O)N[C@H]1CCCC[C@@H]1C 184898175 ZMSKNRXKIBGZOX-RYUDHWBXSA-N 221.344 2.731 30 20 BFED C#CCCCC(=O)Nc1ccccc1F 192039279 CKATZDYGSGIBMB-UHFFFAOYSA-N 205.232 2.568 30 20 BFED C#C[C@@H](CC)NCc1ccc(F)c(Cl)c1 229528513 YPACZFUHAVVPPS-JTQLQIEISA-N 225.694 2.981 30 20 BFED C#C[C@H](CCC)NC(=O)c1cccc2cc[nH]c12 233358564 DSHMILZGUZILGC-GFCCVEGCSA-N 240.306 2.700 30 20 BFED CC[C@H](C#N)C(=O)NCC(CC)(CC)SC 233997624 LINSEVUOVBAJFP-SNVBAGLBSA-N 242.388 2.574 30 20 BFED CC(C)(C)c1ccc(C=NN2CCOCC2)cc1 254747101 SPXCKYHOADMQEW-UHFFFAOYSA-N 246.354 2.650 30 20 BFED N#Cc1ccc(N[C@@H]2C[C@@H]2Cc2ccccc2)nc1 266272831 RJHLRKIXZAFAHB-LSDHHAIUSA-N 249.317 2.996 30 20 BFED CCCCN(C(=O)c1cc(C#N)c[nH]1)[C@@H](C)CC 267133129 BDUPWSMMKVBLSG-NSHDSACASA-N 247.342 2.927 30 20 BFED C=CCNC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 267913950 FODACHASNKOYNP-GFCCVEGCSA-N 248.301 2.511 30 20 BFED 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C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(C)=C1CCC1 831683629 YAFVVCZACMMIRL-KGLIPLIRSA-N 249.354 2.584 30 20 BFED C[C@H]1CC(=NNc2ccccc2F)[C@@H](C)O1 834937908 YOXUSAVACOLWAO-DTWKUNHWSA-N 222.263 2.791 30 20 BFED CCC[C@@H](C)C=NNc1ccc(C(=O)O)nc1 835006415 DCDMATCOWIDCQS-SECBINFHSA-N 235.287 2.614 30 20 BFED C=CCCCCOC(=O)CSC1CC1 835450483 WENZPRSCKKBONM-UHFFFAOYSA-N 214.330 2.782 30 20 BFED CCc1ncsc1NC(=O)C#CC(C)(C)C 837487121 GTAXUAGDUKQEPV-UHFFFAOYSA-N 236.340 2.694 30 20 BFED C#CCC[C@@H](C)OC(=O)c1nc(Cl)cs1 839039896 SYANRENNWPCAAK-SSDOTTSWSA-N 243.715 2.755 30 20 BFED N#CCCCC(=O)N(c1ccccc1)C1CC1 839421788 MQYDHTMDEHKRDX-UHFFFAOYSA-N 228.295 2.876 30 20 BFED C#CCCCC(=O)N(CC)Cc1occc1C 839883753 JBFLNGDQHRHJRZ-UHFFFAOYSA-N 233.311 2.740 30 20 BFED C=CCC1(C(=O)Nc2nccn2C2CC2)CCC1 839939549 LXBMEJSTAYGAGP-UHFFFAOYSA-N 245.326 2.903 30 20 BFED CC#CCCCC(=O)OC[C@H](CC(C)C)OC 842093998 RNDMCAZXIROEHJ-ZDUSSCGKSA-N 240.343 2.784 30 20 BFED CC[C@@H]1C[C@@H](C)CCC1=NN(C)[C@@H](C)CO 842542706 UGWLYKHCGDUWIY-SDDRHHMPSA-N 226.364 2.501 30 20 BFED C=C[C@@H](C)ONC(=O)N(C(CC)CC)C1CC1 845629980 MFZOXARNKMBQGD-SNVBAGLBSA-N 240.347 2.855 30 20 BFED CCCCCCC[C@@H](C)CNC1=NCCN1C 849051510 AIYDKEQPRPXZNC-CYBMUJFWSA-N 239.407 2.874 30 20 BFED C=CCC(C)(C)C(=O)OCC[C@@H](C)C(C)=O 849781972 RAIMMDGITWRAFO-SNVBAGLBSA-N 226.316 2.747 30 20 BFED C=CCC[C@@H](C)OC(=O)Cc1cscn1 853113934 NJSDWZRFMIGQGB-SECBINFHSA-N 225.313 2.584 30 20 BFED C=CC[C@H]1CCCCC1=NOCCOC 853314981 QJKCBIYCYBLGNT-NSHDSACASA-N 211.305 2.772 30 20 BFED C=C[C@@H](C)ON=C[C@@H](OC)C1CCCC1 853369304 KBYMHFPYWLKHFE-ZYHUDNBSSA-N 211.305 2.769 30 20 BFED C#C[C@@](C)(CC)NC(=O)/C=C\C1CCCC1 854693864 XOCUPIOFICGRPH-BMSUMIBZSA-N 219.328 2.651 30 20 BFED C#CC(C)(C)NC(=O)[C@H](C)Cc1ccccc1C 859372766 DJRKHFNVKCYXLP-CYBMUJFWSA-N 243.350 2.702 30 20 BFED C#CCCCC(=O)Nc1cccc(OC)c1C 862776802 QCXJRHYMUUGTTN-UHFFFAOYSA-N 231.295 2.746 30 20 BFED C/C(=C\C1CCC(C)CC1)C(=O)N(C)CC#N 865067422 CGPAFTYCMRWAPF-ZRDIBKRKSA-N 234.343 2.741 30 20 BFED C=CCOCSc1nnc(C(C)(C)C)o1 865354783 VTEBFUQUWWSQAS-UHFFFAOYSA-N 228.317 2.619 30 20 BFED C1COCCC(=NOCCCC2CC2)C1 871740366 MAPQXSWNEBPSEO-UHFFFAOYSA-N 211.305 2.750 30 20 BFED C=CCN(Cc1cnc(OC)s1)C(C)C 876598401 WKNNWBZEKIDQKG-UHFFFAOYSA-N 226.345 2.548 30 20 BFED C=CC(C)(C)CC(=O)OC[C@@H]1CC[C@@H](C)O1 884650087 YEPFSODIXCJRDC-MNOVXSKESA-N 226.316 2.699 30 20 BFED C=CCCCCOC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 885272245 OIGVXCPAKPNGAR-RWMBFGLXSA-N 238.327 2.701 30 20 BFED CC(C)=C(C)C(=O)N(C)c1snc(C)c1C#N 891432645 YVGGTULTAIHQRO-UHFFFAOYSA-N 249.339 2.642 30 20 BFED C=CC[C@@H](CC)NCc1cn(CC)nc1C 894232076 BSVOVYVGTOYARH-CYBMUJFWSA-N 221.348 2.656 30 20 BFED C=C1CC(c2noc(/C=C/C3CCOCC3)n2)C1 896884483 MEJUQXSBZBSXNX-NSCUHMNNSA-N 246.310 2.943 30 20 BFED C#CCN(Cc1scnc1C1CC1)C(C)C 897171284 UXYDRXYDGNECJW-UHFFFAOYSA-N 234.368 2.864 30 20 BFED COCCC(C)=NNc1cc(F)ccc1F 901319608 ANNJXMDCLHIQQI-UHFFFAOYSA-N 228.242 2.789 30 20 BFED C=CCCCNc1cnn(CC(F)(F)F)c1 902197708 IAWKXLYHVVXBJV-UHFFFAOYSA-N 233.237 2.824 30 20 BFED CC(Cn1nc(C)cc1C)=NOCC1CC(C)C1 902699415 GZSDGARPUOQRHB-UHFFFAOYSA-N 249.358 2.939 30 20 BFED CCCc1nc(CON=C(C)C(C)=O)cs1 902760801 WEACSUHSLDJGHX-UHFFFAOYSA-N 240.328 2.577 30 20 BFED C=CCCCN(CC)[C@H](C(=O)O)[C@H](C)CC 903961440 WOJRKSCJFIZDJH-NEPJUHHUSA-N 227.348 2.774 30 20 BFED C=CCCc1noc(C[C@H](C=C)CC)n1 904083384 JTOJUFYIUJOPMZ-SNVBAGLBSA-N 206.289 2.943 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Oc1ccc(C)cc1 905413870 VHIFMWQBDSQULM-KBPBESRZSA-N 246.306 2.882 30 20 BFED C(=NNc1cnccn1)c1cc2ccccc2o1 912962587 UCWMKKDPBAOQDZ-UHFFFAOYSA-N 238.250 2.669 30 20 BFED N#CCCCOC(=O)c1ccc2ncsc2c1 916597051 HZRBTVISXQZUPE-UHFFFAOYSA-N 246.291 2.757 30 20 BFED C=C(Cl)COC(=O)c1ccc(F)cc1F 916609970 MABXARFHZKHATB-UHFFFAOYSA-N 232.613 2.874 30 20 BFED C=C(C)COC(=O)c1cccc2c1CCC2 920682872 MZGSNMQXLBQXIS-UHFFFAOYSA-N 216.280 2.908 30 20 BFED CC(C)c1ccc(NC(=O)CCCC#N)cn1 928619902 ZRKXYJVNIQRDDB-UHFFFAOYSA-N 231.299 2.837 30 20 BFED C#Cc1ccc(NC(=O)N2CCC(F)CC2)cc1 934917739 HMRJDIVFLDZBAF-UHFFFAOYSA-N 246.285 2.634 30 20 BFED C=CCCO[C@@H](C)c1nnc(-c2ccccn2)o1 1117161549 GTHVYQFCGNQKKD-JTQLQIEISA-N 245.282 2.785 30 20 BFED N#CCCCCNc1nccc2cccnc12 1119343281 FTCJHHNFGVZDDC-UHFFFAOYSA-N 226.283 2.736 30 20 BFED Cc1ccc(C#N)cc1C(=O)O[C@@H]1CCSC1 1123032665 CISZSSXEGNVUJY-LLVKDONJSA-N 247.319 2.529 30 20 BFED C=C(C)CCC(=O)Nc1ccc(C(=O)O)c(C)c1 1123380304 QOBOSBBRGUKVKS-UHFFFAOYSA-N 247.294 2.988 30 20 BFED C=CCCCN[C@@H](C)C[C@@H](C)NC(=O)CCC 1133509532 UQRQXDSRSCYXAI-QWHCGFSZSA-N 240.391 2.626 30 20 BFED N#C[C@@H]1CC[C@H](NCc2ccc3c(c2)CCC3)C1 1254636199 WPGBEGMNGKTXBO-WBMJQRKESA-N 240.350 2.957 30 20 BFED C[C@]1(NC(=O)c2csc(C#N)c2)CC=CCC1 1324679582 WPJFTEJFODEBPC-ZDUSSCGKSA-N 246.335 2.848 30 20 BFED Cn1ccc(NN=Cc2ccc(Cl)cc2)n1 1326242281 RYNGLROYRCGZDT-UHFFFAOYSA-N 234.690 2.520 30 20 BFED N#Cc1cccc(C#N)c1NCC1=CCCC1 1330087520 HYTWBOUFAGWNQO-UHFFFAOYSA-N 223.279 2.952 30 20 BFED C=CCN(C(=O)CC(C)(C)C=C)[C@@H](C)COC 1332562445 ATGWDRQPUSUWRP-LBPRGKRZSA-N 239.359 2.638 30 20 BFED Cc1ccc(C#N)c(NCCCC(F)F)n1 1335540273 NGPZTAAGFHLDFB-UHFFFAOYSA-N 225.242 2.719 30 20 BFED C#CCC[C@@H](C)OC(=O)c1occ(C)c1C 1343462038 RGLVEBXXBUVOGA-SNVBAGLBSA-N 220.268 2.855 30 20 BFED C=CC(C)(C)COC(=O)[C@@H]1CCOC(C)(C)C1 1344882775 XTRNXYRMMPWPFC-LLVKDONJSA-N 240.343 2.947 30 20 BFED CCS[C@@H](C(=O)N(C)[C@H](C)CC#N)C(C)C 1349981684 OWMKVYBMMAUSKL-GHMZBOCLSA-N 242.388 2.525 30 20 BFED CC(C)CN(Cc1ccccn1)CC1(C#N)CC1 1351626915 HIXGEVQSVYBAGW-UHFFFAOYSA-N 243.354 2.843 30 20 BFED C=C(C)CCC(=O)NCC[C@H](OCC)C(C)C 1358011581 TWSHWAILNPDMSA-ZDUSSCGKSA-N 241.375 2.910 30 20 BFED CCC(=CC(=O)[C@H](C#N)c1nccn1CC)CC 1526594610 QJNHQUFXIZLMGV-LBPRGKRZSA-N 245.326 2.826 30 20 BFED C=CC[C@@H](SCC=C(C)C)C(=O)O 1588757943 CNJNNFYRYRUERQ-SECBINFHSA-N 200.303 2.715 30 20 BFED C=CC[C@]1(C(=O)O)CCN(CCCC(C)C)C1 1776160505 KRNFYBAHAJJDQD-AWEZNQCLSA-N 239.359 2.775 30 20 BFED N#Cc1cccc(C(=O)NCC2CCCCC2)c1 28700281 FNBINOLYVQKJSB-UHFFFAOYSA-N 242.322 2.868 30 20 BFED CCCCNC(=O)N[C@@H](C)c1ccc(C#N)cc1 31103508 YYAYSGOLKJDQQI-NSHDSACASA-N 245.326 2.719 30 20 BFED CC[C@H](C#N)NC(=O)c1c(C)cc(C)cc1C 40350953 YSCAOBHUZYPPOQ-GFCCVEGCSA-N 230.311 2.644 30 20 BFED C=CCSCC(=O)N1CCCC[C@H]1CC 44255376 BFSGSXWAKPIOOB-LLVKDONJSA-N 227.373 2.697 30 20 BFED C[C@@H](C#N)CN(C)c1ccc(C(F)(F)F)cn1 47952476 RVNSXZMKKFIWKM-QMMMGPOBSA-N 243.232 2.696 30 20 BFED C=CCNC(=O)Nc1ccc(OCC)c(F)c1 48696599 FVHLRVUFFCMGOZ-UHFFFAOYSA-N 238.262 2.532 30 20 BFED Cc1cccc(CCN[C@H]2CCC[C@H]2C#N)c1 54829304 SYBQIAWHSCPTLR-GJZGRUSLSA-N 228.339 2.819 30 20 BFED N#CC1(NC(=O)C[C@@H]2C=CCC2)CCCCC1 71815541 RSQSTBBPQQPZTM-GFCCVEGCSA-N 232.327 2.685 30 20 BFED CC1(C)[C@H]2CN(c3ncc(C#N)cc3Cl)C[C@H]21 78411410 VHQMVMRRJFWJMQ-AOOOYVTPSA-N 247.729 2.699 30 20 BFED CC#CCN(CC)[C@@H](C)c1cccc(O)c1 80931776 XRPFVSAFOUETDS-LBPRGKRZSA-N 217.312 2.798 30 20 BFED N#CCc1ccc(NCc2nccs2)cc1 84696797 UZBVCOHSPTZUMT-UHFFFAOYSA-N 229.308 2.821 30 20 BFED C=C(CC)COc1ccc2c(c1)OCC2=O 85059193 JDKRIIHNKPTOBY-UHFFFAOYSA-N 218.252 2.607 30 20 BFED N#CCc1ccsc1Br 88246621 OMIQYGIQNSOEIX-UHFFFAOYSA-N 202.076 2.577 30 20 BFED C[C@@H](Nc1ccc(C#N)cc1F)c1cnn(C)c1 90794880 YKGIQDFRIZOKCI-SECBINFHSA-N 244.273 2.604 30 20 BFED CC(C)CCN(CCC#N)Cc1ccn(C)c1 93100842 AJHMQJFHUINICY-UHFFFAOYSA-N 233.359 2.787 30 20 BFED CC(C)(C#N)C(=O)N[C@H]1CCCCC1(C)C 94328693 GNLDOHCGJDUAFZ-JTQLQIEISA-N 222.332 2.621 30 20 BFED C[C@H]1C[C@H](Nc2cccc(OCC#N)c2)CS1 94471987 OBPCWFIBZXZTAX-JQWIXIFHSA-N 248.351 2.895 30 20 BFED N#Cc1ccccc1COc1cccnc1F 94693907 NAPNYZFENHMUSF-UHFFFAOYSA-N 228.226 2.671 30 20 BFED C=CCCS(=O)(=O)Nc1ccccc1Cl 96659440 AZSABEGFLLSCRX-UHFFFAOYSA-N 245.731 2.658 30 20 BFED N#Cc1ccc([C@H]2c3ccccc3C[C@@H]2O)cc1 98178840 NKKIXDDJZBFHJA-HOTGVXAUSA-N 235.286 2.607 30 20 BFED C=CCCC(=O)NC[C@H]1CCC[C@@H](C)C1 102239024 SLIRFPWBPPSTIO-NEPJUHHUSA-N 209.333 2.895 30 20 BFED CCC/C(N)=N/OCc1csc(CCC)n1 105605856 ADIGFTIGXWMGQC-UHFFFAOYSA-N 241.360 2.685 30 20 BFED Cc1ccc(C#N)c(N2CCC[C@H](C)CC2)n1 110815235 MPAIMDAJDCFCKN-NSHDSACASA-N 229.327 2.888 30 20 BFED CCCCCCCCC(=O)N1CCC(=O)CC1 115063501 FMSYTYMUWKSTJQ-UHFFFAOYSA-N 239.359 2.929 30 20 BFED CCCCCCCCCNC(=O)[C@H]1CCOC1 119554772 VLKYLKKHZKLNKM-ZDUSSCGKSA-N 241.375 2.890 30 20 BFED C=CC[C@H](C)[C@@H](C)NCC(O)(CC)CC 121905636 ZFNPOXYFRMEUPW-NWDGAFQWSA-N 213.365 2.728 30 20 BFED C=CCN(Cc1ccccc1)C(=O)NCC1CC1 122216054 NEXOAUXNOXJANC-UHFFFAOYSA-N 244.338 2.794 30 20 BFED C=C(C)CNc1nc(C(F)(F)F)ccc1C#N 122758316 SVKQNABDEBGBBU-UHFFFAOYSA-N 241.216 2.960 30 20 BFED C=C(C)CNC(=O)C1C2CC3CC(C2)CC1C3 123015778 XKRGCXMGFDHKFI-UHFFFAOYSA-N 233.355 2.751 30 20 BFED C=CCCCCCN(C)Cc1csnn1 127770983 LSSZYSAXLUVQCP-UHFFFAOYSA-N 225.361 2.716 30 20 BFED C=C[C@@](C)(CC)C(=O)N1CCSC(C)(C)C1 135104793 KDAPPBMDYFNMBJ-ZDUSSCGKSA-N 241.400 2.943 30 20 BFED C=CCNC(=O)Nc1nc(C(C)(C)C)cs1 142970691 INCFHPBOBPSRRR-UHFFFAOYSA-N 239.344 2.748 30 20 BFED CC1CCC(N(C)c2ccc(C#N)nc2)CC1 149335601 OICLWYOJXAGARO-UHFFFAOYSA-N 229.327 2.968 30 20 BFED C#CCSCCNCc1ccccc1OCC 152944743 HPPPFJZEQZYFTG-UHFFFAOYSA-N 249.379 2.541 30 20 BFED C=C(C)CNC(=O)N[C@@H]1CCC[C@H](SC)C1 156618472 CCZAYWQIHIECMQ-MNOVXSKESA-N 242.388 2.536 30 20 BFED C[C@@H]1CCN(C(=O)C2(C#N)CCCC2)C[C@@H]1C 161745696 MBAGHWPJYSEEQZ-NEPJUHHUSA-N 234.343 2.575 30 20 BFED C[C@@H](C#N)N(C)C(=O)CC1CCCCCC1 162000938 BHVFMGMOYXOGRX-NSHDSACASA-N 222.332 2.717 30 20 BFED CC[C@H](C#N)OC(=O)c1ccc(Cl)c(F)c1 162541821 KGDGYOFIAVCKBR-MRVPVSSYSA-N 241.649 2.938 30 20 BFED CC(=O)CSc1ccc(C#N)cc1Cl 163327932 MQWINAOKAYXBSM-UHFFFAOYSA-N 225.700 2.893 30 20 BFED C#C[C@H](C)N[C@H](CC)Cc1ccccc1 166417082 BUVUPLAGNCSRPT-GXTWGEPZSA-N 201.313 2.619 30 20 BFED C[C@@H](CO)SCc1ccc(C#N)cc1Cl 169035680 BGUZTBWVZIZPQD-QMMMGPOBSA-N 241.743 2.826 30 20 BFED CC(C)[C@H](C)C(=O)Nc1sccc1C#N 171882026 DZKFQROHDPEIPG-QMMMGPOBSA-N 222.313 2.850 30 20 BFED C#CCCCNCc1ccc(C)cc1C 174614004 COQIINCDKXVUCE-UHFFFAOYSA-N 201.313 2.806 30 20 BFED CC1CCC(C)(NC(=O)c2cc(C#N)c[nH]2)CC1 177794206 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C#CCCCC(=O)OCc1csc(C2CC2)n1 784974848 VUUYGZJYGDANJC-UHFFFAOYSA-N 249.335 2.867 30 20 BFED C#CC(C)(C)N(C)Cc1cc(F)ccc1F 787997371 LMPJQGKONGMRDJ-UHFFFAOYSA-N 223.266 2.808 30 20 BFED C[C@@H]1CC(C)(C)CCC1=NN[C@@H]1CCOC1 788451635 CGHXGWJDZSAXCO-GHMZBOCLSA-N 224.348 2.567 30 20 BFED CC[C@@H](C)NN=Cc1c(F)cccc1F 790181290 COHSNUPSCKHLCE-MRVPVSSYSA-N 212.243 2.687 30 20 BFED C#CCCCCCC(=O)O[C@@H](C)c1ccnn1C 791936278 SJHFRWABDBCGAG-LBPRGKRZSA-N 248.326 2.608 30 20 BFED C#CCCCS[C@@H](CCCC)C(=O)OC 794451079 RUKLLETUHBXASI-NSHDSACASA-N 228.357 2.865 30 20 BFED C[C@H]1COCCC1=NN[C@H]1CCCC1(C)C 794537772 KCHFQMVDDWIVID-JQWIXIFHSA-N 224.348 2.567 30 20 BFED C=CCNN=C1C[C@H](OCC(C)C)C1(C)C 794993487 XWVFPXVOIMOWDW-LBPRGKRZSA-N 224.348 2.589 30 20 BFED C=C(Cl)COC(=O)COC1CCC(C)CC1 795949883 JQOCJWARMGHONB-UHFFFAOYSA-N 246.734 2.877 30 20 BFED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1cccnc1 797015799 HCSCBWCRULEVHS-GWCFXTLKSA-N 232.283 2.626 30 20 BFED CCCC(=CC(=O)N1CC(C)(C#N)C1)CCC 797761287 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C#Cc1cccc(CN[C@@H](C)[C@H]2CCCOC2)c1 825226430 HDJHWEKNNRUGSM-BBRMVZONSA-N 243.350 2.573 30 20 BFED C=CCSCCNC(=O)C(C)=C1CCC1 825480890 AUKGYZWZBIZEDJ-UHFFFAOYSA-N 225.357 2.522 30 20 BFED C=C(C)CNc1cc(F)c(F)cc1C(=O)O 825642201 KLTYDOSHKVPTEU-UHFFFAOYSA-N 227.210 2.651 30 20 BFED CC(C)C#CC(=O)N[C@@H]1C[C@H]1C1CCCCC1 828699613 XZEDCWFXJRCQIL-UONOGXRCSA-N 233.355 2.731 30 20 BFED C#CC(C)(C)N(C)C[C@H]1CCCCN1C(C)C 829243918 NFCFPEDAQJTOHM-CQSZACIVSA-N 236.403 2.593 30 20 BFED CC[C@H](C)NN=Cc1cc(F)cc(OC)c1 834974096 XSHYMUHSCFBVCB-VIFPVBQESA-N 224.279 2.556 30 20 BFED CCOC(=O)C(C)(C)ON=C1CC[C@H]1C1CC1 835007107 MCGSJBOZTLIYEC-JTQLQIEISA-N 239.315 2.521 30 20 BFED Cc1[nH]c(C#N)cc1C(=O)O[C@H](C)C1CCC1 835201771 YUZDXGRWLRISJP-SECBINFHSA-N 232.283 2.540 30 20 BFED CC[C@H](CC(C)C)C(=O)OCC1(C#N)CC1 835414726 JOXHWHCZXXXLJY-LLVKDONJSA-N 223.316 2.906 30 20 BFED C=C(CC)CNC(=O)c1ccc(C)c(C#N)c1 837099440 UHWVCYDTDNTJEL-UHFFFAOYSA-N 228.295 2.563 30 20 BFED CC(C)(C)C#CC(=O)N[C@]1(C)CC=CCC1 838315993 AMYCPEYXTWIIFJ-CQSZACIVSA-N 219.328 2.651 30 20 BFED C=CCONC(=O)N(C)[C@H](C)c1cccs1 838704839 WUQZQPVFISTGSB-SECBINFHSA-N 240.328 2.568 30 20 BFED C=CCONC(=O)NCC1(CC(C)C)CCC1 838712277 RCNJYPPZNHNKEA-UHFFFAOYSA-N 240.347 2.620 30 20 BFED CC(C)(C)C#CCOC(=O)[C@@]1(C)CCCCO1 838877463 ZCFSANSCOLIOOK-CQSZACIVSA-N 238.327 2.538 30 20 BFED CCC(C[C@H](C)CC)=NN(C)C(=S)NC 841647603 WPQYABPJHUEFTK-SECBINFHSA-N 229.393 2.625 30 20 BFED C=C(Cl)CSCc1c(C)nnn1CC 842193753 WRCHARVWLNOTOD-UHFFFAOYSA-N 231.752 2.592 30 20 BFED CCN(CCO)N=C1CC[C@@H](C)c2ccccc21 842539338 WNYYVBOKNVLSCU-GFCCVEGCSA-N 246.354 2.602 30 20 BFED CCCON=C1CCc2c1ccc(OC)c2F 842551345 QKTCWTWZJYEDCY-UHFFFAOYSA-N 237.274 2.911 30 20 BFED CO[C@@H](C#N)c1ccc(-c2cnn(C)c2C)cc1 844236116 RZRPSJBDVIGVGE-AWEZNQCLSA-N 241.294 2.607 30 20 BFED C=C(C)CONC(=O)N(C)[C@H]1CCCC[C@@H]1C 845593041 UIYJYQUEWCEKOP-RYUDHWBXSA-N 240.347 2.714 30 20 BFED C=C(C)CONC(=O)N[C@@H](CC)c1ccccc1 845595064 PZIHHQOXWFKAGD-ZDUSSCGKSA-N 248.326 2.945 30 20 BFED C=C(C)CONC(=O)N1CCCC[C@@H]1CCC 845605087 ICDPAPFPOMEHMU-LBPRGKRZSA-N 240.347 2.858 30 20 BFED C=CCCC(C)(C)NC(=O)OC[C@H]1CCCO1 851874172 AOSHSZFWBMCIJI-LLVKDONJSA-N 241.331 2.636 30 20 BFED C=CC[C@H]1N(Cc2cnon2)CCCC1(C)C 851990031 NEIHVZHHEXVYEL-GFCCVEGCSA-N 235.331 2.636 30 20 BFED C=CCCC[C@@H](C)NC(=O)N[C@@H]1C=CCC1 852241856 NFWLYDBPEBQZRT-VXGBXAGGSA-N 222.332 2.749 30 20 BFED C=CC[C@@H]1CCCCC1=NNCC(C)(C)CO 853343220 YHQPBNBTUARTHX-GFCCVEGCSA-N 238.375 2.717 30 20 BFED C[C@@H]1CCCCN1N=C1CCc2cc(O)ccc21 853379914 NTYUREPSPPUGCO-LLVKDONJSA-N 244.338 2.917 30 20 BFED C#CCOCCOc1ccc(Cl)cc1C 853637438 RPBHECQRKCSZMN-UHFFFAOYSA-N 224.687 2.677 30 20 BFED C=CCCC(C)(C)NC(=O)C(F)(F)C(F)F 856374033 JZLQYLYGUKSXGD-UHFFFAOYSA-N 241.228 2.748 30 20 BFED C#CCCOC(=O)N1CCCC[C@H]1C(C)C 858990788 LXMPUTZXGLHBTM-LBPRGKRZSA-N 223.316 2.657 30 20 BFED CCC(C#N)(CC)C(=O)OCC1=CCCC1 860200071 NPGDTYNQZSVNAA-UHFFFAOYSA-N 221.300 2.970 30 20 BFED C[C@@H](CC(=O)O[C@@H](C#N)C1CC1)c1ccco1 860577405 KQQISOJCFWAURJ-CABZTGNLSA-N 233.267 2.619 30 20 BFED Cc1ccc([C@@H](C)C=NNC(=S)N(C)C)cc1 863091431 IRXWZAUIULCBFZ-NSHDSACASA-N 249.383 2.520 30 20 BFED CCC(CC)CNN=C(C)c1cc(OC)ccn1 863108241 JLGXUZZBSXSNHN-UHFFFAOYSA-N 249.358 2.840 30 20 BFED CCC(C=NN=c1cc[nH]c(C)c1)CC 863158648 KKDJUEIDDHMIJU-UHFFFAOYSA-N 205.305 2.646 30 20 BFED CC(=NN=c1cc[nH]c(C)c1)C1CCCC1 863158701 MRBKEAVXMYLOIZ-UHFFFAOYSA-N 217.316 2.790 30 20 BFED C=CCC[C@H](CO)N[C@@H](C)Cc1cccc(C)c1 866369577 MKZGBOJAZOVYMK-GOEBONIOSA-N 247.382 2.843 30 20 BFED c1ccc(CNN=C2CC[C@@H]3C[C@H]23)cc1 872334514 AOWPRPWMSGKWLE-NEPJUHHUSA-N 200.285 2.562 30 20 BFED C=C/C=C\CCN(CCC#N)Cc1ccccn1 878167439 FBJBZGTXOXDTJM-ARJAWSKDSA-N 241.338 2.930 30 20 BFED Cc1cc(NC(=O)N2CCC(C#N)CC2)cs1 880638900 HTFQRNUVTCXBLE-UHFFFAOYSA-N 249.339 2.824 30 20 BFED C[C@@H](C#N)N(C)C(=O)CCCCc1ccccc1 891118854 GMYXMKOFSCJRKV-ZDUSSCGKSA-N 244.338 2.770 30 20 BFED C=CCCCCNC(=O)N1CCC(=C)CC1 894261805 PSBHTFBBMRVGDR-UHFFFAOYSA-N 222.332 2.704 30 20 BFED C=C1CC(c2noc([C@](C)(O)CCC)n2)C1 896877811 VFBFWEVPNYEIEZ-GFCCVEGCSA-N 222.288 2.511 30 20 BFED CS[C@H]1CCCC(=NNCCOC(C)C)C1 901215155 IRZNXOZPSTZLMC-LBPRGKRZSA-N 244.404 2.663 30 20 BFED C=CCC[C@H](N[C@H](C)[C@@H](C)CC=C)C(=O)O 901690362 OLYLLTZTDXZWFP-TUAOUCFPSA-N 225.332 2.596 30 20 BFED C=CCCN[C@@H]1CCC[C@H](CCCC(=O)O)C1 902239336 RTBJGIRSTYOAEQ-CHWSQXEVSA-N 239.359 2.966 30 20 BFED C=CCCCCn1cnc2c(F)cccc2c1=O 902679185 LYPGDDPSZMYCDS-UHFFFAOYSA-N 246.285 2.892 30 20 BFED N#C[C@@H]1CCCN(Cc2ccc3cc[nH]c3c2)C1 903563686 IWDHBCAHCXDZSJ-ZDUSSCGKSA-N 239.322 2.903 30 20 BFED C=CCn1cc(-c2cncc(OC(C)C)c2)cn1 906196552 RFZYEVSDKPSABB-UHFFFAOYSA-N 243.310 2.918 30 20 BFED C#CCCCCNC(=O)c1c(C)cc(C)nc1C 906972390 VLTFUPVWMJYFJP-UHFFFAOYSA-N 244.338 2.540 30 20 BFED C=CCC[C@@H](O)CN1CCCNc2ccccc21 923362426 TVBNUQMUIRUVHK-CYBMUJFWSA-N 246.354 2.636 30 20 BFED C=C(C)COC(=O)Cc1cccc2cccnc12 928973945 BXKYNZKOJMYARJ-UHFFFAOYSA-N 241.290 2.897 30 20 BFED Cc1ccc(CCN2CCC[C@@H](C#N)C2)cc1 932150010 CTLDSHQDOMQVCY-HNNXBMFYSA-N 228.339 2.773 30 20 BFED CCC/C(C)=C/C(=O)N[C@H](C#N)C1CCCC1 1119605737 XVLKVSXQJQARGK-YGNAEDSMSA-N 234.343 2.931 30 20 BFED C#Cc1ccc(N2CC[C@@H](C)[C@H](C)C2)nc1 1120830260 NMLISUWOKBHPPD-VXGBXAGGSA-N 214.312 2.545 30 20 BFED C=C(C)CCN[C@H](C)C[C@@H](C)NC(=O)CCC 1133509008 QJEFOXRMGRCNAD-CHWSQXEVSA-N 240.391 2.626 30 20 BFED N#CCC1(CSC2=NCCS2)CC1 1330231768 DUKSHVPKMKUOEH-UHFFFAOYSA-N 212.343 2.516 30 20 BFED C=C(CC)C(=O)Nc1nc(CC(C)C)ns1 1347109551 MVMJGTNVGQGLMT-UHFFFAOYSA-N 239.344 2.641 30 20 BFED C=C(CC)C(=O)NC[C@@H](C)c1ccccc1 1521229951 QSCZXWPIQJUQCE-GFCCVEGCSA-N 217.312 2.873 30 20 BFED C=C(CC)C(=O)NCc1sccc1CC 1548666359 LHDJWZCEYJSOIE-UHFFFAOYSA-N 223.341 2.893 30 20 BFED C=CC[C@H](Nc1ccc(OC(C)C)cc1)C(=O)O 1588752477 XHHGUHJWLODITO-ZDUSSCGKSA-N 249.310 2.915 30 20 BFED C=CCCCSCc1ccc(C(=O)O)cn1 1588806009 YGGGBWDBPCPXHK-UHFFFAOYSA-N 237.324 2.979 30 20 BFED Cc1oc(C=NNc2ccccc2)cc1C(=O)O 1600837845 CJAWUILRFPXEGD-UHFFFAOYSA-N 244.250 2.732 30 20 BFED C=C(C)CN1CC(C)(C)CC[C@H]1CC(=O)O 1776139859 QLDOQBZSQKWXHF-NSHDSACASA-N 225.332 2.528 30 20 BFED C=CCC[C@H]1CCCN1CC1(CC(=O)O)CC1 1776170681 HUBQKLFLMZLSEE-LBPRGKRZSA-N 237.343 2.672 30 20 BFED CSCSc1nc(C)cc(C)c1C#N 5658886 XXPKWOSWXQFSAV-UHFFFAOYSA-N 224.354 2.983 30 20 BFED N#Cc1ccccc1OC[C@H]1CCCCO1 20077460 BCBPEFHFELTDAK-GFCCVEGCSA-N 217.268 2.506 30 20 BFED N#CCOc1ccc(NC2CCCC2)cc1 20126401 NYRNDNULLUNSIW-UHFFFAOYSA-N 216.284 2.943 30 20 BFED CC(C)CN(C)CCOc1cccc(C#N)c1 34674600 DTDSXNDZOCNULQ-UHFFFAOYSA-N 232.327 2.525 30 20 BFED CC[C@H](NCCC#N)c1ccccc1OC 35255894 XBRRZANAEHUFNA-LBPRGKRZSA-N 218.300 2.650 30 20 BFED CCCCN(C)c1nc(C)cc(C)c1C#N 40418543 DOWVEWLVJSSZNB-UHFFFAOYSA-N 217.316 2.806 30 20 BFED CN(CC#N)Cc1ccccc1OC(F)(F)F 43645699 VPIHRWLQHIBZBC-UHFFFAOYSA-N 244.216 2.541 30 20 BFED CCN(CC#N)C(=O)C[C@H](C)CC(C)(C)C 45049486 VASKLVQGXSDGCD-NSHDSACASA-N 224.348 2.821 30 20 BFED C[C@H](C#N)CN(C)Cc1ncc(C(C)(C)C)o1 66468954 LANKQINZGBMHLK-SNVBAGLBSA-N 235.331 2.564 30 20 BFED Cc1noc(C)c1N(C)Cc1ccccc1C#N 81601317 AZBVTHZCLVNXCB-UHFFFAOYSA-N 241.294 2.800 30 20 BFED N#CC[C@H](O)c1ccccc1OC(F)(F)F 85878599 HYGUWAACMHALBJ-QMMMGPOBSA-N 231.173 2.532 30 20 BFED C=C(C)CN(CC)C(=O)[C@H]1COc2ccccc21 113021014 ZOCLOXYNHWNNRB-ZDUSSCGKSA-N 245.322 2.587 30 20 BFED N#Cc1cccc(NC(=O)CCC2CC2)c1 115000044 UFUMKGYCZSQPNJ-UHFFFAOYSA-N 214.268 2.687 30 20 BFED CCCCCCCN(C)CC(C)(C)O 115549120 WUYNNCYEZSMUOM-UHFFFAOYSA-N 201.354 2.660 30 20 BFED C=CC[C@H](C)NC(=O)[C@H](C)Oc1ccccc1 116858204 XGEMUKYPQOLGDP-RYUDHWBXSA-N 233.311 2.535 30 20 BFED C=CCCCOC(=O)c1scnc1C 117994374 BGFRSBARTLGJBY-UHFFFAOYSA-N 211.286 2.575 30 20 BFED C=CCCCOC(=O)c1ccnc(SC)c1 117994709 ADBAPGUXQZJVIT-UHFFFAOYSA-N 237.324 2.927 30 20 BFED C=C[C@H](CC(=O)N1CCCC1)c1ccccc1 121462698 QNBPOHCVHCPSLP-CYBMUJFWSA-N 229.323 2.969 30 20 BFED C=CCOC(=O)CCCOc1cccc(C)c1 121610669 UJZVBMWVXCURRO-UHFFFAOYSA-N 234.295 2.883 30 20 BFED C#CCOC(=O)[C@H](CCC)c1ccccc1 121764924 VFDILPBLOQXAHQ-CYBMUJFWSA-N 216.280 2.747 30 20 BFED C[C@@H](c1ccccc1F)[S@@](=O)CCCC#N 123462097 PASZMPWHSCMZSX-MGPLVRAMSA-N 239.315 2.939 30 20 BFED C=CCCCC[C@@H](C)NC1CCOCC1 132007188 XPZSISBHOXJYBA-GFCCVEGCSA-N 211.349 2.890 30 20 BFED Cc1ccnc(NCc2scnc2C)c1C#N 135078018 UJTYSMARLNHBHU-UHFFFAOYSA-N 244.323 2.639 30 20 BFED CC[C@@](C)(C#N)C(=O)Nc1cc(C#N)ccc1C 136234909 LBLULTOAWOWIHD-AWEZNQCLSA-N 241.294 2.745 30 20 BFED C=CCN(C)C(=O)NCC1(CC(C)C)CC1 155435178 QDKBRSDVBDDHPG-UHFFFAOYSA-N 224.348 2.640 30 20 BFED C=C(C)CNC(=O)Cc1c(C)cc(C)cc1C 161160846 YYENEBXSPBVPQW-UHFFFAOYSA-N 231.339 2.847 30 20 BFED C[C@@H](C#N)NC(=O)CC1CCC(C)(C)CC1 161926378 UIFWVHYSFTUKLO-JTQLQIEISA-N 222.332 2.621 30 20 BFED C=CCCNC(=O)c1ccc(C)cc1C 162181605 RVXCXWPMSMHVDJ-UHFFFAOYSA-N 203.285 2.609 30 20 BFED CC#CCCNC(=O)C(CCC)CCC 164596060 SWRMWXOEXRBEKY-UHFFFAOYSA-N 209.333 2.732 30 20 BFED C#CCCCOC(=O)[C@H](C)Oc1cccc(C)c1 170714595 BKBRMSFETDFYAR-ZDUSSCGKSA-N 246.306 2.719 30 20 BFED C=CCCN1CCC[C@H](N2CCCC2)CC1 172626013 YUVXZPNHGDCLAW-AWEZNQCLSA-N 222.376 2.513 30 20 BFED C=CCCCC(=O)OCCOc1ccccc1 174914757 QKXNQKGZHOZZSN-UHFFFAOYSA-N 234.295 2.965 30 20 BFED C#CCCOC(=O)CC1CCCCCC1 175127550 OURFSABZXHPUCH-UHFFFAOYSA-N 208.301 2.913 30 20 BFED CC#CCOC(=O)CCCc1ccc(OC)cc1 175389227 SYRZSNATUYDYJU-UHFFFAOYSA-N 246.306 2.584 30 20 BFED CC[C@@H](C#N)OC(=O)c1ccc2c(c1)CCC2 175995838 KEFJGHHIUQZSJS-ZDUSSCGKSA-N 229.279 2.634 30 20 BFED CC[C@H](C#N)OC(=O)[C@@H](C)c1cccc(OC)c1 176000118 FSCCZJDGXBMJDA-CMPLNLGQSA-N 247.294 2.644 30 20 BFED C[Si](C)(C)CN(CCC#N)Cc1ccco1 176290547 PAAVLLYKMZNSGQ-UHFFFAOYSA-N 236.391 2.873 30 20 BFED Cc1ccc(F)cc1NC(=O)N(C)CCC#N 176541532 GXIOWZQWZBRIPA-UHFFFAOYSA-N 235.262 2.512 30 20 BFED CCN(CC)CCSCCCSCC#N 176946584 YCUJNJVSIAYUHM-UHFFFAOYSA-N 246.445 2.708 30 20 BFED C#CCCCN[C@H](C)CSC(C)(C)C 178057039 VYTLRDKLANTNON-LLVKDONJSA-N 213.390 2.910 30 20 BFED C=C(C)CN(C)C(=O)[C@H](C)SCCCC 180397371 LQVDHIQJEYCDJX-NSHDSACASA-N 229.389 2.943 30 20 BFED CO[C@@H](C)CSc1cccc(C#N)c1 181019211 WYWKXXSKBFVBGP-VIFPVBQESA-N 207.298 2.685 30 20 BFED Cc1ncsc1/C=C/C(=O)c1ccncc1 182243462 ISHCKCALAIQPNX-NSCUHMNNSA-N 230.292 2.743 30 20 BFED C#C[C@@H](C)NC(=O)c1scnc1C1CCCC1 185989092 VZGOKHBGADCMHH-SECBINFHSA-N 248.351 2.552 30 20 BFED C#C[C@@H](C)NC(=O)c1oc2c(C)cccc2c1C 185999446 YBLZTCUFNZWZKB-SNVBAGLBSA-N 241.290 2.801 30 20 BFED C=C(C)CN(C)CCc1ccccc1C(=O)OC 187461502 IPKRMVPSLOCZDH-UHFFFAOYSA-N 247.338 2.524 30 20 BFED C=C(C)CNC(=O)N[C@@H]1CC12CCCCC2 187826212 NBVXEPMODKZIPV-LLVKDONJSA-N 222.332 2.585 30 20 BFED C=CCSCCNCCC(C)(C)C 187867527 NCLIJYLIWAVDET-UHFFFAOYSA-N 201.379 2.931 30 20 BFED N#CCCC[S@](=O)Cc1ccc(F)c(F)c1 190797606 PTPHCTOMMLATAN-INIZCTEOSA-N 243.278 2.517 30 20 BFED CC(C)[C@@H]1CCCCN1Cc1cc(C#N)n(C)c1 191369604 KDPQLAQJFCXZRB-HNNXBMFYSA-N 245.370 2.907 30 20 BFED C=CC[C@H](C)NC(=O)c1cc2sccc2[nH]1 192122566 BLMKIVKWJZWDQA-QMMMGPOBSA-N 234.324 2.924 30 20 BFED CCCCCCCCn1ncc(C)cc1=O 195434762 CYBRYZOPHLMMLM-UHFFFAOYSA-N 222.332 2.912 30 20 BFED N#C[C@H]1CCCC[C@@H]1NCc1ccc(O)cc1 228410999 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20 BFED C=C1CCN(C(=O)c2ccc(F)cc2C)CC1 269473068 UVRSMRNHDRGLPG-UHFFFAOYSA-N 233.286 2.926 30 20 BFED C#CC[C@H](N[C@H](C)[C@H](C)OC)c1ccccc1 271432953 DHODSUOTRDEXSI-IPYPFGDCSA-N 231.339 2.764 30 20 BFED CC#CCCCC(=O)N[C@@](C)(C#N)C(C)(C)C 274339371 PIKXKEGXFASHJH-AWEZNQCLSA-N 234.343 2.625 30 20 BFED C=CCCN(C)C(=O)Nc1ccccc1COC 275974388 AKJYMQBHWRPTEE-UHFFFAOYSA-N 248.326 2.873 30 20 BFED C=CCCN(C)C(=O)CSc1ccccc1 276213281 CHUUVUCXSOCGBS-UHFFFAOYSA-N 235.352 2.813 30 20 BFED C#CC(C)(C)N(C)Cc1csc(CCC)n1 279191090 DXNAEOUMBDTOGC-UHFFFAOYSA-N 236.384 2.939 30 20 BFED C=CCn1c(C)nnc1SCCCCF 285276550 UBKUDPRMLKMJDQ-UHFFFAOYSA-N 229.324 2.614 30 20 BFED C=C[C@@H](CO)N[C@H]1CC(C)(C)c2ccccc21 289959285 WTYANSNBYXMKIA-FZMZJTMJSA-N 231.339 2.546 30 20 BFED C#Cc1ccc(CNc2cc(CC)nn2C)cc1 290532618 YFMOFILTAODASW-UHFFFAOYSA-N 239.322 2.576 30 20 BFED C=CCn1c(C2CC2)nnc1N1CC[C@@H](C)[C@@H]1C 290554797 YPVUWEWBIXUOFZ-MNOVXSKESA-N 246.358 2.576 30 20 BFED C=CCN(CCC#N)C(=O)c1cc(C)cc(C)c1 292453312 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230.315 2.585 30 20 BFED C#C[C@@H](N[C@@H]1CCc2ccccc2C1)C(C)C 305937191 KXMURFCJZONHEH-HZPDHXFCSA-N 227.351 2.791 30 20 BFED C[C@H](C#N)OCCNc1cccc2c1CCCC2 306005821 JKFDBXGKYUWDQN-GFCCVEGCSA-N 244.338 2.906 30 20 BFED C#C[C@@H](NC(=O)[C@@H](CC)CC(C)C)C(C)C 307992366 KIXLJANGQQXUNA-QWHCGFSZSA-N 223.360 2.833 30 20 BFED C=CCCCCN[C@@H]1C[C@H](OC)C12CCC2 308372812 RFKJLMVSZIKUJB-OLZOCXBDSA-N 223.360 2.890 30 20 BFED C=CCCCNc1cccc(C(=O)O)c1 308780820 CPVXOYJGABLSOR-UHFFFAOYSA-N 205.257 2.763 30 20 BFED C=CC[C@H](C)N[C@H]1CCO[C@H](C(F)(F)F)C1 309177111 DCERVBPIEXYSKV-GUBZILKMSA-N 237.265 2.651 30 20 BFED C=C(CC)CNC[C@H](O)c1ccc(Cl)cc1 313478341 FBTRZMJFQUEQSD-ZDUSSCGKSA-N 239.746 2.929 30 20 BFED C=C(CC)CNCc1cccc(OC)c1F 313482059 KZMOEKUWCCHQEC-UHFFFAOYSA-N 223.291 2.890 30 20 BFED C=CCC[C@@H](CO)NC(=O)[C@@H](CC)CCCC 321259269 SIISKXCLEJNPFV-STQMWFEESA-N 241.375 2.646 30 20 BFED C[C@@H]1CC(C)(C)CN1c1ccnc(C#N)c1 334655407 KEVMFDKIALCDFP-SNVBAGLBSA-N 215.300 2.578 30 20 BFED 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233.742 2.809 30 20 BFED C#C[C@@H](CC)NCc1ccc(F)cc1Cl 229899890 LYSWGNVECKKFNF-NSHDSACASA-N 225.694 2.981 30 20 BFED C#C[C@H](CCC)NC(=O)c1c(C)oc(C)c1C 233357413 WMLDGAXLADUCDY-GFCCVEGCSA-N 233.311 2.737 30 20 BFED CC[C@H](C#N)NC(=O)[C@H]1C[C@H]1c1sccc1C 245958123 RGNJJQMDPVKFLZ-MXWKQRLJSA-N 248.351 2.578 30 20 BFED C=CCCCN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 250537395 ZNXGJGIKBDTMSS-UPJWGTAASA-N 237.343 2.670 30 20 BFED CC[C@H](C#N)C(=O)N(C)Cc1ccc(C)c(C)c1 258820741 QXJFPQFNCMYARR-CQSZACIVSA-N 244.338 2.812 30 20 BFED Cc1cc(C(=O)N(CCC#N)CC2CC2)c(C)o1 264020227 GGOTZHIVFKGCBG-UHFFFAOYSA-N 246.310 2.662 30 20 BFED CC(=O)[C@H](C)SCc1cc(C#N)ccc1F 267129342 CHBNNPJVVYTYIZ-VIFPVBQESA-N 237.299 2.908 30 20 BFED C[C@H](C#N)CN(C)[C@@H]1CCc2ccc(F)cc21 267141348 IMPPGBXBBMKZGK-QMTHXVAHSA-N 232.302 2.904 30 20 BFED Cc1cc(Cl)ccc1C(=O)N(CC#N)C1CC1 268775041 NKPSEDJYGGKGCU-UHFFFAOYSA-N 248.713 2.777 30 20 BFED C=CCN(Cc1ccc(C#N)cc1F)C1CC1 271446352 NIZUHZYCFXKFHY-UHFFFAOYSA-N 230.286 2.848 30 20 BFED C=CCCCCNC(=O)NCc1ccc(O)cc1 274534879 FEZJURKVUQKKON-UHFFFAOYSA-N 248.326 2.548 30 20 BFED C=C[C@](C)(CC)C(=O)N(CC)CC(F)F 275969145 JNTGRBCMKVYNJC-LLVKDONJSA-N 219.275 2.702 30 20 BFED C=CCC1(C(=O)NCc2ccc(C)nc2)CCC1 276597667 PKCLUPLEKQQWLC-UHFFFAOYSA-N 244.338 2.753 30 20 BFED CC(C)[C@@H]1CN(c2ccnc(C#N)c2)CCS1 283787142 RIQQKKHNGSKCDV-ZDUSSCGKSA-N 247.367 2.531 30 20 BFED C=C[C@@H](CO)N[C@@H](CC)c1cccc(C)c1 289791692 NHSZFIYVWQIKHK-KBPBESRZSA-N 219.328 2.583 30 20 BFED C=C(C)CNC(=O)Nc1cc(C2CC2)ccn1 290181223 SWRVWUVWZULCEB-UHFFFAOYSA-N 231.299 2.657 30 20 BFED COC[C@@H](NCCC#N)c1cccc(Cl)c1 298601062 SJASGABCQHIMLI-GFCCVEGCSA-N 238.718 2.531 30 20 BFED CO[C@H]1C[C@H](Nc2cccc(C#N)c2)C12CCC2 308380905 WKTZYJXWPVWWKV-KBPBESRZSA-N 242.322 2.928 30 20 BFED C=CC[C@@H](C)NCC1(OC)CCCCC1 308939223 LRFKWKSKAOYGMX-GFCCVEGCSA-N 211.349 2.890 30 20 BFED CC(C)(C#N)CCN1CCC(C(F)F)CC1 309058880 JTSNPQAVCVSRJM-UHFFFAOYSA-N 230.302 2.903 30 20 BFED C=C[C@H](COC)N[C@H](C)CCCC(F)(F)F 309593100 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2.702 30 20 BFED CN(CC1CCC1)C(=O)[C@]1(C#N)CC12CCCC2 336240164 UOZCUTBWURRNRJ-OAHLLOKOSA-N 246.354 2.719 30 20 BFED C=C[C@@H](C)NC(=O)[C@H]1CSc2ccccc21 336490100 IYJQROFDYROMHD-KOLCDFICSA-N 233.336 2.567 30 20 BFED C=C[C@H]1CCCCN1C(=O)c1cc[nH]c1CC 336630527 YPXOTOIMHAZEMX-NSHDSACASA-N 232.327 2.758 30 20 BFED C=CCCSCCOCC(F)(F)F 336651601 JQOXYDOHIPTRPF-UHFFFAOYSA-N 214.252 2.875 30 20 BFED C=CC[C@@H](CC)NC(=O)CCC1CCOCC1 337091113 KRGVBEHDFORWBB-CYBMUJFWSA-N 239.359 2.664 30 20 BFED Cc1ccnc(CNc2cccc(C#N)c2C)n1 339414806 ANBZGEPKZNJHML-UHFFFAOYSA-N 238.294 2.577 30 20 BFED C[C@@H](C#N)NC(=O)c1ccc(SC2CC2)cc1 341233187 ZTWFSRQSDSBMHZ-VIFPVBQESA-N 246.335 2.583 30 20 BFED CO[C@@H](CNc1cc(C)nc(C#N)c1)C(C)(C)C 342826035 RTHVLLXCTXAMQL-ZDUSSCGKSA-N 247.342 2.735 30 20 BFED COc1ccc([C@@H](C)NCC2(C#N)CC2)cc1 343563056 LEVBFTFBWXRUOR-LLVKDONJSA-N 230.311 2.650 30 20 BFED CC[C@@H](C)Oc1ccc(NC(=O)[C@H](C)C#N)cc1 347055617 AKAUXSPBSXSJEW-GHMZBOCLSA-N 246.310 2.962 30 20 BFED 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30 20 BFED N#CCCNCc1sccc1Br 87575673 QDNJUPLFWZMEQG-UHFFFAOYSA-N 245.145 2.514 30 20 BFED C[C@H](CCO)N(CCCC#N)Cc1ccccc1 93303517 SUQVSPZYWYCHCS-CQSZACIVSA-N 246.354 2.563 30 20 BFED CCC/C(N)=N/OCCCOc1ccccc1 105605113 OKCQMBWJVYDCSJ-UHFFFAOYSA-N 236.315 2.544 30 20 BFED CCCCCCC[C@@H](O)CCC(=O)OC 105610130 YBABXNONTJBQQW-LLVKDONJSA-N 216.321 2.661 30 20 BFED CCCCCCCNC(=O)[C@H](N)c1ccccc1 106239708 OROZQZJDIQRNNL-CQSZACIVSA-N 248.370 2.773 30 20 BFED C=CCCC(=O)NC[C@H]1CCOc2ccccc21 108734413 LJPKPHYYBSBOJQ-GFCCVEGCSA-N 245.322 2.635 30 20 BFED Oc1ccc(Br)cc1/C=N\C1CC1 111124661 IVIXAGNDVJVARE-SDQBBNPISA-N 240.100 2.736 30 20 BFED C=C(C)CN1CCc2ccccc2CC1 116299686 NYDBORKOGRDALV-UHFFFAOYSA-N 201.313 2.663 30 20 BFED CCc1cc(NCc2cc(C#N)cs2)n(C)n1 119589548 UFTCPFLWBLWXGJ-UHFFFAOYSA-N 246.339 2.528 30 20 BFED CC[C@@H](NCc1ccc(C#N)cc1)[C@H]1CCCO1 119718125 MDNDUNDCADYGFH-HUUCEWRRSA-N 244.338 2.605 30 20 BFED CC#CCNC(=O)c1ccc(Cl)c(Cl)c1 120902434 YEBDATBJNZQOJP-UHFFFAOYSA-N 242.105 2.747 30 20 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2.695 30 20 BFED C#C[C@H](C)NC(=O)c1ccc(O[C@@H](C)CC)cc1 186117631 XANFJKHFHMFPQT-RYUDHWBXSA-N 245.322 2.615 30 20 BFED CC#CCNC(=O)Nc1cccc(C(C)C)c1 186533301 GYFFZLSFGARJBY-UHFFFAOYSA-N 230.311 2.955 30 20 BFED C#CCOc1ccccc1NC(=O)[C@H](C)C1CC1 187231478 YBVGQFLVAAURLV-LLVKDONJSA-N 243.306 2.683 30 20 BFED C=CCC[C@@H](C(=O)N(C)C)c1ccccc1 187830786 WKLOWSBEGGCINA-CYBMUJFWSA-N 217.312 2.825 30 20 BFED C=CCCOC(=O)/C=C/c1scnc1C 188020435 ZXNXQWDQOZEBJK-AATRIKPKSA-N 223.297 2.584 30 20 BFED C=Cc1ccc(C(=O)N[C@@H](CC)CC#N)cc1 192211045 KMQBWMCUUJPUAG-ZDUSSCGKSA-N 228.295 2.752 30 20 BFED C=CCOc1c(F)c(F)cc(F)c1F 194283490 VIUQXJDPGHZNND-UHFFFAOYSA-N 206.138 2.808 30 20 BFED C=CCN(CC=C)[C@H](C(=O)O)c1ccsc1 211927085 ZJKLJGDFUWGJFI-NSHDSACASA-N 237.324 2.548 30 20 BFED C=C(C)CCOC(=O)/C=C\c1ccc(O)cc1 219727415 JRGXBBWELUZUKT-YVMONPNESA-N 232.279 2.915 30 20 BFED CCN(C[C@H](C)C#N)C(=O)[C@H]1CCCC1(C)C 228843583 LURLEUAZXFKZOE-VXGBXAGGSA-N 236.359 2.821 30 20 BFED CCCCCCCN(CCN)CC(F)(F)F 231615847 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BFED C=CCN(C(=O)c1cscc1C)C1CC1 271529503 NXDWCRKFOHCXEA-UHFFFAOYSA-N 221.325 2.847 30 20 BFED C=CCN(C(=O)c1ccsc1)C1CC1 271544183 PUGRTYZXCVKMKO-UHFFFAOYSA-N 207.298 2.539 30 20 BFED C=CCCN(C)C(=O)c1cc(C)cc(C)c1 276376374 KYNDTANAEWFNHF-UHFFFAOYSA-N 217.312 2.952 30 20 BFED C=CCCN(C)C(=O)Cc1ccc(F)cc1F 276443800 TWDFMLXKWNDCTK-UHFFFAOYSA-N 239.265 2.542 30 20 BFED C=CC[C@@H]1N(Cc2ccnn2C)CCCC1(C)C 277785054 OEVHRVMDFAWNAU-AWEZNQCLSA-N 247.386 2.987 30 20 BFED Cc1ccoc1C(=O)N1CCCC(C)(C)[C@@H]1C#N 277936778 NZPRSRNGUIGGEI-NSHDSACASA-N 246.310 2.742 30 20 BFED C#CCn1ccc(CN(CC)CC2CCCC2)n1 279663747 DDUDZGCGCBPTJC-UHFFFAOYSA-N 245.370 2.528 30 20 BFED C=CC[C@H](CC)NC(=O)N[C@@H](C)c1ccccn1 281063341 RVFACHBLTAGGIE-RYUDHWBXSA-N 247.342 2.797 30 20 BFED C[C@@H]1COCC[C@@H]1CNc1ccc(F)cc1C#N 286534392 YTTHJXBDZZMITF-GHMZBOCLSA-N 248.301 2.782 30 20 BFED C#C[C@H](NC(=O)[C@H](C)c1ccccc1)C(C)(C)C 288390365 WARGSHSEIWQGFD-OCCSQVGLSA-N 243.350 2.954 30 20 BFED C=C(C)CCNc1ccc2oc(=O)n(C)c2c1 288739751 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CC(C)(C#N)CC(=O)N1CC(C)(C)[C@@H]2CCC[C@H]21 334570837 VTQZXZKDSJTSCH-VXGBXAGGSA-N 248.370 2.963 30 20 BFED N#CCc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 334666137 OIBLVRUVNMLGMA-OCCSQVGLSA-N 225.295 2.857 30 20 BFED Cc1cc(F)ccc1C(=O)NCC1(C#N)CCC1 335257630 OJYPMDAJBIBOPI-UHFFFAOYSA-N 246.285 2.558 30 20 BFED C[C@@H]1C[C@@H]1CC(=O)Nc1cccc(C#N)c1 336008496 BFBFODOFXXFUMS-MWLCHTKSSA-N 214.268 2.543 30 20 BFED C=C(C)CN(C)C(=O)[C@]1(C)CC=CCC1 336189168 IKSHLRIJTJMJMT-CYBMUJFWSA-N 207.317 2.767 30 20 BFED CC[C@@](C)(C#N)C(=O)N(C)[C@@H]1CCC(C)(C)C1 336339283 JWNMJVPEJGHRDI-RISCZKNCSA-N 236.359 2.963 30 20 BFED C=CCCC(=O)N1CC[C@@H](C)C(C)(C)C1 336374326 NPDFAASFTLRYIX-LLVKDONJSA-N 209.333 2.847 30 20 BFED CC#CCN(C)Cc1ccc(OCC)cc1 336674211 LOIBRGPLUPAFQX-UHFFFAOYSA-N 217.312 2.540 30 20 BFED C=CCCNC1(c2cccc(OC)c2)CC1 336700942 NTSVNWDICWULAW-UHFFFAOYSA-N 217.312 2.850 30 20 BFED C=CCOCCN(CCCC)CC(F)(F)F 338992526 LXDKUJGGLYTAOT-UHFFFAOYSA-N 239.281 2.853 30 20 BFED C=C(C)CN1CCC(C(=O)OC(C)(C)C)CC1 340189261 XQLKWEUZDJYBET-UHFFFAOYSA-N 239.359 2.616 30 20 BFED C=CCC1(C(=O)N2CC(C3CCC3)C2)CCC1 341342571 FFZPAWIWLWVESG-UHFFFAOYSA-N 233.355 2.991 30 20 BFED C=CC[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2S1 342364096 WCFOVLYOWKCWFO-MFKMUULPSA-N 247.363 2.784 30 20 BFED C=CCCCCCN(C)S(=O)(=O)CC(C)C 352473525 WIBWEYMRFFMZID-UHFFFAOYSA-N 247.404 2.650 30 20 BFED CCC[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC)C1 353767511 LSBIGQOFFWIREU-TZMCWYRMSA-N 236.359 2.965 30 20 BFED C=CCN(C(=O)[C@@H]1CCSC1)c1ccccc1 355427625 YPOFUTXVOVNBFV-GFCCVEGCSA-N 247.363 2.959 30 20 BFED C[C@H](CCC1CC1)NC(=O)CC(C)(C)C#N 356261843 WZAOQCLSFOTAOY-SNVBAGLBSA-N 222.332 2.621 30 20 BFED C=C[C@H](C)NC(=O)[C@@H](C)c1cccc(F)c1 362600734 MYQQZACNRPVMKQ-UWVGGRQHSA-N 221.275 2.620 30 20 BFED C=CC[C@H](CC)Nc1cccc(CC#N)n1 381607198 QTLSLLYSULSKPI-NSHDSACASA-N 215.300 2.914 30 20 BFED C=CC(C)(C)CN=c1ncc2ccccc2[nH]1 384911802 CBAVVFKAUPSWAZ-UHFFFAOYSA-N 227.311 2.676 30 20 BFED CC/N=C(/NCC)NCc1ccc(C(C)C)cc1 395729665 OYMJXSRXVGBDTG-UHFFFAOYSA-N 247.386 2.885 30 20 BFED Cc1cc(C)c(C#N)c(N[C@H]2CS[C@H](C)C2)n1 397846984 INWRIJYSAWTKOO-GHMZBOCLSA-N 247.367 2.876 30 20 BFED C=CCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(O)c1 412271855 DBGSFMREUBNJCT-UONOGXRCSA-N 245.322 2.530 30 20 BFED N#CC1(CSCCn2cc(Cl)cn2)CC1 419583967 KTSXWOHTSISYNZ-UHFFFAOYSA-N 241.747 2.573 30 20 BFED CC[C@@H](Cc1ccccc1C)C(=O)N(C)CC#N 424631298 RULZMJGDWLUUGN-ZDUSSCGKSA-N 244.338 2.546 30 20 BFED CC#CCCCC(=O)Nc1c(C)ccnc1C 425596852 PQNPKIDIQNAZOI-UHFFFAOYSA-N 230.311 2.831 30 20 BFED C=C[C@H]1CCCCN1CCCC(=O)CC 450887330 YCKNMDKNVNLAJM-LBPRGKRZSA-N 209.333 2.786 30 20 BFED C=CCCCC(=O)N[C@H](C)C(C)(F)F 452457314 MVODDUFMTBWFQX-MRVPVSSYSA-N 205.248 2.503 30 20 BFED C=C(C)CCNC(=O)NCC1(CCC)CC1 454683604 ZFYNPPJZNUJYGH-UHFFFAOYSA-N 224.348 2.832 30 20 BFED C=CC[C@@H](CC)NC(=O)NCc1cc(C)ccn1 454908643 JNKDINZGYMEJAK-GFCCVEGCSA-N 247.342 2.544 30 20 BFED CC[C@](C)(C#N)C(=O)N[C@@H]1C[C@]1(CC)C(C)C 457226437 AMSCYSRNVGZSPC-MRVWCRGKSA-N 236.359 2.867 30 20 BFED C[C@@H](C(=O)NCc1ccc(C#N)cc1)C1CCC1 457421244 MZZLALDGHNLYGH-LLVKDONJSA-N 242.322 2.611 30 20 BFED C=CCN(CC=C)C(=O)N[C@@H]1C[C@H]1CC(C)C 459240794 QRVUAZOMDWQHAR-CHWSQXEVSA-N 236.359 2.805 30 20 BFED C#C[C@@H](CC)NC(=O)Nc1cccc2[nH]ccc12 491096131 PMIAHVSAKWSAGQ-JTQLQIEISA-N 241.294 2.701 30 20 BFED C#C[C@@H](C)N(C)C(=O)N[C@@H](CC)C1CCCC1 491665812 VFFWJIBXZSFTTG-YPMHNXCESA-N 236.359 2.618 30 20 BFED C#CCN(C)C(=O)N[C@@H](CC)c1ccc(C)cc1 491707540 LSFQPBZTWINYSV-AWEZNQCLSA-N 244.338 2.721 30 20 BFED CC(C)C[C@H](C)OC(=O)N(CC#N)C1CC1 496439789 OUFHYYNHYVRGSC-JTQLQIEISA-N 224.304 2.546 30 20 BFED CS[C@@H](C)CCC(=O)N(CCC#N)C(C)C 540207643 CGEJPDBYVORZIJ-NSHDSACASA-N 242.388 2.669 30 20 BFED C=CCCC[C@H](C)N1CCc2nc(C)ncc2C1 540298965 CGSPQRSUIMUDFK-LBPRGKRZSA-N 245.370 2.888 30 20 BFED CC#CCCNC(=O)C/C=C\c1ccccc1F 544581226 IBZFJUGVIQBMQW-CLFYSBASSA-N 245.297 2.759 30 20 BFED CC1(C)CC[C@H]1NCCOc1ccccc1C#N 565175990 YAZOWTUSKKMGQZ-CQSZACIVSA-N 244.338 2.715 30 20 BFED C=CCCCCOc1ccccc1CO 570618766 TWLGGCYAZDAXRH-UHFFFAOYSA-N 206.285 2.914 30 20 BFED CN(Cc1ccc(C#N)cn1)C[C@H]1CC=CCC1 570642411 PDEYBDJRLPWXFH-ZDUSSCGKSA-N 241.338 2.741 30 20 BFED C=C(C)C(C)(C)C(=O)N1CCC[C@@H](F)C1 570810284 KDXSYVCRXMBKSR-SNVBAGLBSA-N 213.296 2.549 30 20 BFED CC(C)C[C@@H]1CCCN(c2cc(C#N)ncn2)C1 571238912 GDZITFFTJJARTP-LBPRGKRZSA-N 244.342 2.611 30 20 BFED CC(C)=CCC[C@H](C)CC(=O)N(C)CC#N 574760952 ZLQGUSWGIIIJKE-LBPRGKRZSA-N 222.332 2.741 30 20 BFED C=CCCCCCN1CC[C@H](c2nccn2C)C1 580565662 LBNGHPAYVLTTNK-AWEZNQCLSA-N 247.386 2.956 30 20 BFED C[C@@H](Cc1cccs1)NCC1(C#N)CCC1 591357638 QIZVSDONUIDNFI-NSHDSACASA-N 234.368 2.963 30 20 BFED N#C[C@H]1CC[C@@H](N2CCC3(CC2)CC3(F)F)C1 593071852 CQLHQJMSJGYKAU-WDEREUQCSA-N 240.297 2.800 30 20 BFED COc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1C 595106675 TTYLQGGTPLQGOJ-GXTWGEPZSA-N 244.338 2.786 30 20 BFED CC1(C)CC[C@H](C(=O)N2CCC[C@H](CC#N)C2)C1 597906142 JALBDPHTYDBHIY-OLZOCXBDSA-N 248.370 2.965 30 20 BFED C[C@@H](C#N)N(C(=O)c1ccoc1C1CC1)C1CC1 598137667 MHQIYDAAPDGLAF-VIFPVBQESA-N 244.294 2.674 30 20 BFED C[C@H](C#N)N(C(=O)[C@H]1CCCC1(C)C)C1CC1 598138738 UVHRLOCYCORNET-ZYHUDNBSSA-N 234.343 2.716 30 20 BFED C[C@@H](C#N)CN(C)Cc1cc2ccccc2n1C 602447201 LPGIGFVWORPCLM-LBPRGKRZSA-N 241.338 2.770 30 20 BFED C=CCCOCc1nc([C@@H](C)SCC)no1 612973006 KNRRNLAMIOKWQG-SECBINFHSA-N 242.344 2.976 30 20 BFED CC(C)C[C@H](C#N)NC(=O)C1=CCCCCC1 614123913 VAHALLAWZMQUFX-CYBMUJFWSA-N 234.343 2.931 30 20 BFED C=CC[C@@H](CC)NC(=O)Cc1occc1C 614396369 LZXHLCBXWPFPJJ-LLVKDONJSA-N 221.300 2.601 30 20 BFED CCC(CC)(CC)C(=O)N1CC[C@@](F)(C#N)C1 615591108 PKYMQRHXTUECFE-CYBMUJFWSA-N 240.322 2.667 30 20 BFED C=CCCC(C)(C)NC(=O)CC[C@@H](C)OC 620857795 JREHFBHYLFSSDY-LLVKDONJSA-N 227.348 2.663 30 20 BFED C=CCCCNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 626710977 WXUIYIHMVGTCRY-RBSFLKMASA-N 241.334 2.655 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@H](C)COCC1CC1 650803496 KIFAXLDZVBGBSP-BXUZGUMPSA-N 239.359 2.520 30 20 BFED C=CC[C@@H]1CCCC[C@H]1N[C@@H](CC)CCO 657889661 SSEMVKCKEIXALD-HZSPNIEDSA-N 225.376 2.872 30 20 BFED C=CCCNC(=O)N1C2CCCC1CCC2 661570766 KLCPRWQKJHYQTQ-UHFFFAOYSA-N 222.332 2.679 30 20 BFED C=C[C@H](C)NC(=O)N[C@H]1CCc2ccc(F)cc21 674980720 JZBIRHJLVPKTCO-ZANVPECISA-N 248.301 2.687 30 20 BFED CC(=O)c1c(F)cccc1N1CCC[C@@H](C#N)C1 693939057 RJMJUWVLBRYBKA-NSHDSACASA-N 246.285 2.768 30 20 BFED C#CCOc1ccccc1CN[C@@H]1C=CCC1 698301506 VNSLNONERQRHPG-CQSZACIVSA-N 227.307 2.507 30 20 BFED C=CC[C@H](CC)NCc1cncc(OC)c1 700071328 GNAVVEMTTJLXKB-LBPRGKRZSA-N 220.316 2.535 30 20 BFED CC(C)CN(CCC#N)C(=O)/C=C\c1ccco1 700872622 HMZZZMWEQZKHSI-SREVYHEPSA-N 246.310 2.691 30 20 BFED C=CCOCC(=O)N[C@H](C)CCCCCC 729311438 RLMJFLFPDZSBNS-GFCCVEGCSA-N 227.348 2.664 30 20 BFED C=CC[C@H](C)NC(=O)N[C@@H]1CC[C@@H](SC)C1 743619286 OOILAASLLLJUDI-HBNTYKKESA-N 242.388 2.534 30 20 BFED COc1cc(C(C)=NOCC(C)C)ccc1O 749631864 RVIICAZWRWCZOB-UHFFFAOYSA-N 237.299 2.797 30 20 BFED CC1(C)C[C@@H]1C(=O)OCc1ccc(C#N)cc1F 751802470 QRLLZQMYHMADEV-LLVKDONJSA-N 247.269 2.787 30 20 BFED CCn1nccc1C=NNc1cccc(C)c1 753690046 AUUBSVZEDTWVFC-UHFFFAOYSA-N 228.299 2.657 30 20 BFED CCCCCCCCNC(=O)c1cc(C#N)c[nH]1 754779205 RLNMJAGASBAEAW-UHFFFAOYSA-N 247.342 2.977 30 20 BFED C=C[C@H](C)NC(=O)N[C@@H](C)CCCCC 756972998 HZNVHZUSKHSZFF-QWRGUYRKSA-N 212.337 2.829 30 20 BFED C(=NNC1CC1)c1cccc(-c2ccccn2)c1 758128120 VSBPQLLHWGQVNE-UHFFFAOYSA-N 237.306 2.835 30 20 BFED COc1cccc(O)c1/C=N/C1CC=CC1 759641255 CNEASORAYRXLQV-NTEUORMPSA-N 217.268 2.538 30 20 BFED N#Cc1ccc(OC(=O)[C@@H]2CC23CCC3)cc1 759822344 UMKQTXHNUHCNPE-LBPRGKRZSA-N 227.263 2.654 30 20 BFED C#CCCc1noc(/C=C2\CC[C@H](C)C2)n1 762006461 JCLBGDNXVWOVSI-SPQRFVMMSA-N 216.284 2.839 30 20 BFED C#CCOc1ccc([C@H](C)N[C@@H](C)C=C)cc1 766574507 YJNZBSOLJMREIB-STQMWFEESA-N 229.323 2.924 30 20 BFED CCC/C(C)=C/C(=O)OCC1(C#N)CCC1 768106539 ZOUOFEJHYFPGKM-DHZHZOJOSA-N 221.300 2.970 30 20 BFED C=CCCOC(=O)[C@H](F)c1ccccc1 769153283 ACHGBGLTGSSSKL-LLVKDONJSA-N 208.232 2.817 30 20 BFED C#CCN(CC#CC)Cc1cccc2[nH]ccc12 769450854 BJUGIPHBKKAMNF-UHFFFAOYSA-N 236.318 2.626 30 20 BFED C=C(CC)COC(=O)c1cccc(O)c1C 773547209 PTCMMASXBXORJB-UHFFFAOYSA-N 220.268 2.824 30 20 BFED C#C[C@H](N[C@@H](CCC)CCC=C)[C@H]1CCCO1 775574080 NNVWDWQZOUZFPV-SOUVJXGZSA-N 235.371 2.892 30 20 BFED C[C@H](C(=O)OCC1(C#N)CC1)c1cccc(F)c1 775859304 HVDUZGXDIXAIBP-JTQLQIEISA-N 247.269 2.776 30 20 BFED C[C@@H](C#N)CN(C)C[C@H]1CCc2ccccc21 780292750 PCYNQVSXGHJEPV-GXTWGEPZSA-N 228.339 2.808 30 20 BFED CC(=NNc1cc(F)cc(F)c1)[C@H]1CCCO1 783833358 XKLJZXVFPZUORZ-GFCCVEGCSA-N 240.253 2.932 30 20 BFED O=C(/C=C\c1ccc(O)cc1)c1cncs1 787171584 BWYBNHWNRIMXGQ-UTCJRWHESA-N 231.276 2.745 30 20 BFED Cc1nc(C(C)C)oc1C(=O)OCCCC#N 796184254 QFAJKCCAORUEAE-UHFFFAOYSA-N 236.271 2.567 30 20 BFED CC(C)=CCOC(=O)c1cc(C#N)oc1C 797956194 DQKVHVVDJDNCOS-UHFFFAOYSA-N 219.240 2.583 30 20 BFED CCCC[C@H]1CCCC1=NNCC(C)(C)CO 799114800 LEEJAEJSGAFXNS-LBPRGKRZSA-N 240.391 2.941 30 20 BFED CC(C)(C#N)CCN1CC[C@H](c2ccccn2)C1 799194089 DGKQCKJFQIWDGK-ZDUSSCGKSA-N 243.354 2.811 30 20 BFED Cc1cc(C(=O)/C=C/c2ccn(C)n2)oc1C 799896748 YIUVOKXBRGENKY-SNAWJCMRSA-N 230.267 2.526 30 20 BFED C#C[C@@H](NC(=O)NCC1(CC)CC1)C(C)(C)C 808280551 OPVIEBZOPIXMCW-LLVKDONJSA-N 236.359 2.524 30 20 BFED C#CCON=Cc1cccc(OC(F)(F)F)c1 812234041 NBRCOSRFTTWNGZ-UHFFFAOYSA-N 243.184 2.569 30 20 BFED Cc1ccc(-c2n[nH]cc2C=NOCC2CC2)o1 814245304 WOPDYHPYJFPPCY-UHFFFAOYSA-N 245.282 2.739 30 20 BFED CC[C@H](C)CON=C(C)c1cccc(CO)c1 814939271 KTCCIMNPKNMXQJ-NSHDSACASA-N 235.327 2.966 30 20 BFED CCCCCCOC(=O)c1ncc(C#N)cc1C 815337367 JZOQFUFBFOWKKO-UHFFFAOYSA-N 246.310 2.999 30 20 BFED CCC(=NN[C@@H]1CCC[C@H]1O)c1cccc(C)c1 817336886 GAAYMIKXUAQWEZ-HUUCEWRRSA-N 246.354 2.612 30 20 BFED COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1C 818231442 WLQKFYIQUIACMZ-GXTWGEPZSA-N 244.338 2.786 30 20 BFED CC1(C)CC[C@H](OC(=O)c2cc(C#N)c[nH]2)C1 820417065 YSCNCXUNHJWHLA-JTQLQIEISA-N 232.283 2.622 30 20 BFED C=C(C)CCOC(=O)c1ccc(NC(=O)O)cc1 823474118 MEHSNKNHPRKDTQ-UHFFFAOYSA-N 249.266 2.900 30 20 BFED Cc1ccc(N(C)C(=O)C#CC(C)C)cc1 825274096 QGUWFLLFAGRLSG-UHFFFAOYSA-N 215.296 2.617 30 20 BFED C#CC1CCN(C(=O)N[C@@H]2CCC[C@H](C)C2)CC1 825728178 QGURQWBNJULERT-GXTWGEPZSA-N 248.370 2.620 30 20 BFED CNC(=S)NN=C1CC[C@@H](CCC(C)C)C1 834917038 VOLZSSMJAKUROK-SNVBAGLBSA-N 241.404 2.673 30 20 BFED C#CCSCCOC(=O)[C@H](C)[C@H](C)CC 835439654 JZJDOWISZMGPSJ-GHMZBOCLSA-N 228.357 2.578 30 20 BFED C[C@H](c1cccs1)N(C)C(=O)C#CC1CC1 837350124 UJUJXNZOKQEGLK-SNVBAGLBSA-N 233.336 2.681 30 20 BFED C[C@H]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C 837531085 VHKHEBLQLMGUHH-FRRDWIJNSA-N 235.371 2.977 30 20 BFED C#CCC[C@H](C)OC(=O)CC(C)(C)CC(C)=O 839040202 WTKIOGZIAJGRQG-LBPRGKRZSA-N 238.327 2.727 30 20 BFED C#C[C@@H](NC(=O)C[C@H](C)C1CC1)c1ccccc1 843640340 XSTMNDZPRBNMJC-SWLSCSKDSA-N 241.334 2.913 30 20 BFED C=CCCCCCOC(=O)/C=C(/C)COC 845241639 CKWPJKJHEIWSIS-BENRWUELSA-N 226.316 2.869 30 20 BFED C=C[C@H](C)ONC(=O)NCCC(C)(C)C1CC1 845614618 CUTDUPFRLBBMRL-JTQLQIEISA-N 240.347 2.618 30 20 BFED C=C[C@@H](C)ONC(=O)C=C1CCC(C)CC1 846544662 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BFED CO[C@@H]1CC(=NN2CCCC[C@@H]2C)C12CCC2 853381762 KVNVVPBAZMSQSC-WCQYABFASA-N 236.359 2.806 30 20 BFED C/C(=C/C(=O)N(C)[C@@H](C)C#N)c1cccs1 857623614 HSLGSBOMQMQWQC-RNKPRXRFSA-N 234.324 2.522 30 20 BFED C#CCNC(=O)N[C@@H](CC)c1cc(C)ccc1C 858089289 MVCJOYVURXBGPT-AWEZNQCLSA-N 244.338 2.687 30 20 BFED CC1(C)CC(=NOCC2CCC2)CCO1 872391765 WQKNDJKVFCVWBF-UHFFFAOYSA-N 211.305 2.748 30 20 BFED C=CCCCC(=O)N1CCC[C@H](CF)C1 881597251 RFGYOIMPFNLZLC-LLVKDONJSA-N 213.296 2.551 30 20 BFED Cc1ccc(NC2C[C@@H](C)O[C@H](C)C2)c(C#N)n1 882150542 YSLYRZLVDHFBDK-GHMZBOCLSA-N 245.326 2.630 30 20 BFED C[C@@H](N[C@H](C)c1ncco1)c1ccc(C#N)cc1 886532013 BTPGRHSNXZFBBB-GHMZBOCLSA-N 241.294 2.958 30 20 BFED C=CC1(OC(=O)[C@@H]2CC23CCSCC3)CC1 893358931 OFTRLQHZLLCLAH-JTQLQIEISA-N 238.352 2.782 30 20 BFED C=CC1(OC(=O)CO[C@@H]2CCC[C@H](C)C2)CC1 893362741 JNFXQFBUYFKRNA-NWDGAFQWSA-N 238.327 2.844 30 20 BFED C=CC1(OC(=O)c2ccc(OC)cc2F)CC1 893365638 PNEDCKJUCHNEDZ-UHFFFAOYSA-N 236.242 2.710 30 20 BFED 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DOLAKDHVNNBTDU-UHFFFAOYSA-N 231.280 2.542 30 20 BFED CCCC[C@H](CC)C(=O)N(CCC#N)CCC#N 6652494 FERHWAFFMKCKGZ-ZDUSSCGKSA-N 249.358 2.859 30 20 BFED CC#CCSc1nc2ccccc2o1 6820257 VDSMJKYVXHZXBP-UHFFFAOYSA-N 203.266 2.943 30 20 BFED C=CCCCC(=O)Nc1ccc(OC)cc1 35092381 WWXIKJNFJMXIEM-UHFFFAOYSA-N 219.284 2.990 30 20 BFED CC[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 35238836 SVGUFRROMLUQHY-GFCCVEGCSA-N 242.322 2.820 30 20 BFED CC[C@H]1CCCN(c2ncccc2C#N)C1 35239386 JBAPSWDJDQCMOV-NSHDSACASA-N 215.300 2.580 30 20 BFED C[C@@H](NCc1ccncc1)c1cccc(C#N)c1 37232139 YRQQOIJGWRALIH-GFCCVEGCSA-N 237.306 2.804 30 20 BFED C#CCNC(=O)[C@@H](c1ccccc1)[C@H](C)CC 41637152 CNOUCLZCPFDMET-TZMCWYRMSA-N 229.323 2.566 30 20 BFED Cc1cccc(CN(C)C(=O)C(C)(C)C#N)c1 44351728 QMBMQBSYKMPDSV-UHFFFAOYSA-N 230.311 2.503 30 20 BFED C=CCCC(=O)N1CC[C@H](c2ccccc2)C1 49489438 MLSPDWYCDZECEZ-AWEZNQCLSA-N 229.323 2.969 30 20 BFED CCCCNC(=O)Nc1ccc(F)c(C#N)c1 51637785 SXOLWWJVEBTIHC-UHFFFAOYSA-N 235.262 2.619 30 20 BFED C#CCOC(=O)COc1cc(C)ccc1C(C)C 58818570 NKSBDZFFDYIRNF-UHFFFAOYSA-N 246.306 2.674 30 20 BFED C[C@@H](CC#N)Sc1ccccc1NC(N)=O 66954500 UPFKJXSXFTUNAQ-QMMMGPOBSA-N 235.312 2.571 30 20 BFED CC(C)[C@H](C)C(=O)N(C)Cc1cccc(C#N)c1 70124092 QAUGILCTYXTOFY-LBPRGKRZSA-N 244.338 2.809 30 20 BFED CC(C)[C@H](C)C(=O)N(C)c1cccc(C#N)c1 70124094 LNWWQYNDPUDMNU-NSHDSACASA-N 230.311 2.813 30 20 BFED N#Cc1csc(C(=O)OC2CCCC2)c1 83939327 NAESMGXVUNWXCZ-UHFFFAOYSA-N 221.281 2.719 30 20 BFED CSc1ccc(NC(=O)NC[C@@H](C)C#N)cc1 84907833 APBZTJCUVFGIGX-VIFPVBQESA-N 249.339 2.690 30 20 BFED CCc1nc(CC)n(CCCC(C)(C)C#N)n1 88741471 DANJNULRFIANOC-UHFFFAOYSA-N 234.347 2.733 30 20 BFED COCCCCOc1cc(C#N)ccc1C 89740029 MHGFEQJFLFMIMX-UHFFFAOYSA-N 219.284 2.672 30 20 BFED C#CCCCCN[C@H](C)c1ccc(F)cn1 90398770 RXCSNSSGHJFKQR-LLVKDONJSA-N 220.291 2.675 30 20 BFED C=CCCOC(=O)c1ccccc1COC 103647390 FXIUUPGNWBJTRM-UHFFFAOYSA-N 220.268 2.566 30 20 BFED C=CCCOC(=O)c1ccc(F)c(F)c1 103650516 CVSJXINVMGTKHK-UHFFFAOYSA-N 212.195 2.698 30 20 BFED C[C@H]1CCN(c2ccc(F)cc2C#N)C1 110877868 OTLNVFFTYSNZDL-VIFPVBQESA-N 204.248 2.544 30 20 BFED C=CCNC(=O)[C@@H](CC)CC1CCCC1 114313886 JZTUEZUKZWPIER-LBPRGKRZSA-N 209.333 2.895 30 20 BFED CCN(CC#N)C(=O)C[C@H](C)c1cccc(F)c1 116006588 KWVDFNAAPIINAQ-NSHDSACASA-N 248.301 2.691 30 20 BFED C=CC[C@H](C)NC(=O)CC1=CCCCC1 116858927 ZNMBGGXGVFQRCF-NSHDSACASA-N 207.317 2.958 30 20 BFED C=CC[C@H](C)NC(=O)N(CCC)CCC 116973167 NZLPBXOADUXDTO-NSHDSACASA-N 212.337 2.783 30 20 BFED C=C(C)CNC(=O)CCCOc1ccccc1C 123064442 PHOKANFQWWGQLV-UHFFFAOYSA-N 247.338 2.846 30 20 BFED C[C@@H](CC#N)N(C)C(=O)[C@H](C)c1ccccc1 123230615 NNLYVWFWYPEVIX-NWDGAFQWSA-N 230.311 2.551 30 20 BFED CC[C@H](C)[C@@H](C)Nc1cnccc1C#N 123413854 NWFBAGWDAGNUPL-VHSXEESVSA-N 203.289 2.800 30 20 BFED CCCCCCCN1CC[C@@H](CCN)C1 125531942 OSSQORTWZATSSZ-CYBMUJFWSA-N 212.381 2.628 30 20 BFED C=CC[C@@H](C)NC(=O)N1CCCCCC1 127796953 RXFMLTLXYGLCBZ-LLVKDONJSA-N 210.321 2.537 30 20 BFED C=C(CC)CN1Cc2ccc(C(=O)O)cc2C1 131266329 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CC[C@]1(C)C[C@H]1C(=O)Nc1ccccc1C#N 158842112 DQTRDUIRDBKUAL-SMDDNHRTSA-N 228.295 2.933 30 20 BFED C=CCN(C)C(=O)Cc1ccc(Cl)cc1 161415947 ICSUCDFUWNGOSI-UHFFFAOYSA-N 223.703 2.527 30 20 BFED Cc1ccc(C#N)c(N2CC[C@H](C)[C@H](C)C2)n1 161624140 YUUXDQUOWPYUPH-WDEREUQCSA-N 229.327 2.744 30 20 BFED C=CCN(C)C(=O)C=C1CCC(C)CC1 161703700 XAXZAUVOXMSKNH-UHFFFAOYSA-N 207.317 2.767 30 20 BFED C=C(Cl)CN[C@H](C)c1nc2ccccc2n1C 163747563 LLMJCZDESIOFRG-SNVBAGLBSA-N 249.745 2.976 30 20 BFED C#CCCCNC(=O)CCCc1cccs1 172933747 SCDOGZFOFFODQC-UHFFFAOYSA-N 235.352 2.600 30 20 BFED C[C@H](S[C@H](C)CO)c1ccc(C#N)cc1 172977881 IFWPYYBTBHVZRR-ZJUUUORDSA-N 221.325 2.733 30 20 BFED CCN(C(=O)[C@@H](C)SC)c1ccc(C#N)cc1 174079997 MTZKEFJEXJCENO-SNVBAGLBSA-N 248.351 2.663 30 20 BFED CC(C)[C@](C)(C#N)NC(=O)C1C(C)(C)C1(C)C 174431097 KPHYWLWAQRMRKJ-AWEZNQCLSA-N 236.359 2.723 30 20 BFED C#CCCCN[C@H]1CCc2ccc(F)cc21 175016255 CEFVJEHBMBTAQX-AWEZNQCLSA-N 217.287 2.816 30 20 BFED C#CCSCCN[C@@H](C)c1cccc(OC)c1 177361196 IIKQOABNVZMKPE-LBPRGKRZSA-N 249.379 2.712 30 20 BFED CC(C)(C#N)CCCO/N=C(\N)C1CCCC1 177727099 ZHTIHYGJADKEQJ-UHFFFAOYSA-N 237.347 2.795 30 20 BFED C=CC[C@@H](C)NC(=O)N[C@@H]1CC12CCCCC2 180366406 NPHKFJZKCQBPJR-VXGBXAGGSA-N 236.359 2.973 30 20 BFED C=C(C)CN(C)C(=O)c1cccc(OCC)c1 180444855 ISJIOZVGVJMXIZ-UHFFFAOYSA-N 233.311 2.733 30 20 BFED C=C(C)CN(C)Cc1ccccc1OCCOC 181043904 BNBXYRUMPAWETF-UHFFFAOYSA-N 249.354 2.720 30 20 BFED C[C@@H]1CCC[C@@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 181311855 MSVYCBVACXEDJP-GHMZBOCLSA-N 245.326 2.537 30 20 BFED CC(C)[C@H](Cc1ccc(F)cc1)NCC#N 181663806 MTKLGWKBTLQXQP-ZDUSSCGKSA-N 220.291 2.506 30 20 BFED C=CCCC[C@@H](C)NC(=O)c1cccnc1OC 182644674 JSKGSFSKIRWNCZ-LLVKDONJSA-N 248.326 2.565 30 20 BFED CCC1(C(=O)NC[C@@H](C)C#N)CCCCC1 184163488 ZXWUOOBSNHEHNN-NSHDSACASA-N 222.332 2.623 30 20 BFED C=C(C)COCCNC(=O)C[C@@H]1CCC[C@H]1C 184767389 CDMOLJNAXCXSAR-OLZOCXBDSA-N 239.359 2.522 30 20 BFED CC1CCC(N(C)Cc2cc(C#N)n(C)c2)CC1 191186924 RXARPEVPRMPBJJ-UHFFFAOYSA-N 245.370 2.907 30 20 BFED C[C@H]1CCC[C@H](NCc2cc(C#N)n(C)c2)CC1 191622485 NVBSBMNZRIUAGH-JSGCOSHPSA-N 245.370 2.955 30 20 BFED C[C@H]1CCC[C@H]1CNC(=O)c1cccc(C#N)c1 230683254 KBNSYCCEUYFEFX-FZMZJTMJSA-N 242.322 2.724 30 20 BFED CC1CCN(c2nccc(C#N)c2Cl)CC1 232826452 VGCOBLHSCGVOIN-UHFFFAOYSA-N 235.718 2.843 30 20 BFED C#C[C@@H](CCC)NC(=O)Cc1ccccc1Cl 233295560 IHRSNWBPDSWICL-LBPRGKRZSA-N 249.741 2.801 30 20 BFED c1ccc(CON=C2CCn3cccc32)cc1 254870827 GTMAEGSJXGNUQU-UHFFFAOYSA-N 226.279 2.813 30 20 BFED CCn1cc(/C=C\C(=O)c2cccc(F)c2)cn1 255083306 WXLVAQHUANAGMO-SREVYHEPSA-N 244.269 2.938 30 20 BFED C#CCOC(=O)/C=C\c1cnc(C(C)(C)C)s1 255627500 LNIYIVXDSYDYAU-SREVYHEPSA-N 249.335 2.630 30 20 BFED COc1cccc(CN2CCC[C@H](CC#N)C2)c1 260221786 WAFNUSOMEKXVDB-CYBMUJFWSA-N 244.338 2.821 30 20 BFED CC[C@@]1(C)CCCN(c2cccc(C#N)n2)C1 266207088 LLXRQLZDOMVWTG-AWEZNQCLSA-N 229.327 2.970 30 20 BFED C#CCC(C)(C)C(=O)Nc1ccncc1CC 274371413 WAVWJXCHDJBRIA-UHFFFAOYSA-N 230.311 2.632 30 20 BFED C=CCN(C)Cc1cnc([C@H]2CCCO2)s1 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CC(C)[C@@H](C#N)NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 597189637 ZSFTXQCJTYWFHS-RQJABVFESA-N 248.370 2.867 30 20 BFED COc1cc(CNC[C@H](C)C#N)ccc1Cl 600146038 UOTLBIAHIUYYCA-SECBINFHSA-N 238.718 2.598 30 20 BFED CCOC1CC(Oc2ccc(C#N)c(OC)c2)C1 600676118 XYWMRYGSVVFILC-UHFFFAOYSA-N 247.294 2.513 30 20 BFED CC(C)CC(C)(C)C(=O)NCC(C)(C)C#N 611688654 IDVYZEJDOGDMSH-UHFFFAOYSA-N 224.348 2.725 30 20 BFED C[C@@]1(C#N)CCCN(Cc2ccc(C#N)cc2)C1 612159493 VKMQYGULDILWDS-HNNXBMFYSA-N 239.322 2.684 30 20 BFED C=CC[C@@H]1CCCN([C@@H](C)CCOC)C1 661380929 RGKQXBNQYDHRKS-QWHCGFSZSA-N 211.349 2.700 30 20 BFED C=CCCC(C)(C)NC(=O)N[C@@H](C)C1CC1 663242017 KFYCNHRKUOCXMI-JTQLQIEISA-N 224.348 2.829 30 20 BFED C=CCCNCC1Cc2ccccc2C1 668483489 YDRXGSZDDCUYEQ-UHFFFAOYSA-N 201.313 2.567 30 20 BFED CC#CCCNC(=O)[C@H](C)c1ccc(CC)cc1 680456555 DEQFLYWOPVLQJY-CYBMUJFWSA-N 243.350 2.882 30 20 BFED CC(C)C[C@@H](C#N)NC(=O)/C=C/c1cccs1 726560060 UVRVOBZMEZIZQG-QRGHLMKCSA-N 248.351 2.816 30 20 BFED C#CCCOC(=O)c1ccc2c(c1)CCCC2 727044168 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2.857 30 20 BFED Fc1ccc(NN=C2CC3(CC3)C2)nc1 814842477 JKFVJIZJFZFUKJ-UHFFFAOYSA-N 205.236 2.563 30 20 BFED CC(=NNCC(C)C)c1ccc(CN(C)C)cc1 814892196 NTQLMAHURNWYJZ-UHFFFAOYSA-N 247.386 2.718 30 20 BFED C=CCN(CCC1(OC)CCC1)C(C)C 815020818 IKIDAVBCNXVTRY-UHFFFAOYSA-N 211.349 2.842 30 20 BFED C/C(=C/C(=O)N[C@@H]1CC[C@H](C#N)C1)C(C)(C)C 819632216 UXKJAMJBRRGFFZ-DXGKCEBASA-N 234.343 2.787 30 20 BFED CCCCCCCCCC(=O)N[C@@H]1CC[C@H]1O 819683774 BYXLJFREHUTPTR-CHWSQXEVSA-N 241.375 2.767 30 20 BFED C=C(C)C(C)(C)C(=O)OC[C@@H]1CCSC1 820281505 IJEKEABCPGBLJV-JTQLQIEISA-N 228.357 2.885 30 20 BFED C=CC[C@H]1CCCN(C(=O)[C@@]23CCC[C@@H]2C3)C1 824973027 YHUJBUAXTARNLF-GZBFAFLISA-N 233.355 2.991 30 20 BFED C=CC[C@@H](C)NC(=O)/C=C(/C)c1ccco1 828039513 CRPMXSHAAODYKX-DWOQACPDSA-N 219.284 2.764 30 20 BFED C=CCCOC(=O)[C@@H]1CCCCC1(F)F 835090532 HWBWQKVYXAVSQT-VIFPVBQESA-N 218.243 2.931 30 20 BFED CCc1cccc(C(=O)OCC#CC(C)(C)C)n1 835389863 HBVRYIJERKXBJU-UHFFFAOYSA-N 245.322 2.850 30 20 BFED 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30 20 BFED C=CCCC[C@H](C)NC(=O)c1cccnc1 182596098 RBXBIIOIMCCPOV-NSHDSACASA-N 218.300 2.556 30 20 BFED C=C(C)COC(=O)/C=C/c1scnc1C 188022787 AWAPJCRBJJPRTP-SNAWJCMRSA-N 223.297 2.584 30 20 BFED C=CCN(CCOC)CCC1CCCC1 191118884 ZNWACELYFMBOGS-UHFFFAOYSA-N 211.349 2.701 30 20 BFED N#C[C@H]1CCC[C@H](NCCN2CCCCCC2)C1 192635578 VDYZDCOGEFUMFY-GJZGRUSLSA-N 249.402 2.534 30 20 BFED C[C@@H](NCC(C)(C)CCO)c1ccc(C#N)cc1 224705902 RVPGMNYRHULGST-GFCCVEGCSA-N 246.354 2.617 30 20 BFED C[C@@H](c1cccs1)N(C)c1nccc(C#N)n1 231898953 HWOSFOWFPNIOAM-VIFPVBQESA-N 244.323 2.607 30 20 BFED Cc1csc(=NC(C)C)n1N=Cc1ccco1 254741910 QDFAGOSJEFWZFS-UHFFFAOYSA-N 249.339 2.642 30 20 BFED C[C@@H](c1ccncc1)N1CCC[C@@H](CC#N)C1 259688125 KHESDDFHUYFIJC-STQMWFEESA-N 229.327 2.768 30 20 BFED N#CCC1CCN(C(=O)c2ccccc2F)CC1 260045515 PCCZBAIFSXMZOT-UHFFFAOYSA-N 246.285 2.592 30 20 BFED C[C@@H](CC#N)N(C)C(=O)/C=C/c1cccs1 264029555 KCOHTVRHPJLBRH-PORFMDCZSA-N 234.324 2.522 30 20 BFED C=CCCN(C)Cc1csc([C@@H](C)OC)n1 267341810 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231.339 2.766 30 20 BFED C=CCC1(NCc2cc(OC)no2)CCCC1 661851053 OGLAUILDKYWQPX-UHFFFAOYSA-N 236.315 2.662 30 20 BFED C=CCCNC(=O)N1CCC[C@H](CC)CC1 665946337 WBSUONJWMPJMTE-LBPRGKRZSA-N 224.348 2.784 30 20 BFED C=C[C@@H]1CCCCN1C(=O)NCCCC 683732136 OGBGWJPPUQARPL-LLVKDONJSA-N 210.321 2.537 30 20 BFED CCCCCCCN(C[C@H](C)O)C1CC1 691426745 RBGFGMJAIGZDTI-LBPRGKRZSA-N 213.365 2.802 30 20 BFED CCCCCCCNC(=O)CC[C@@H]1CCCN1 703760194 CZOKZHPXGSMSSB-ZDUSSCGKSA-N 240.391 2.605 30 20 BFED C=CCC[C@H](CO)N[C@@H]1CCCC[C@H]1C1CC1 710161520 CFZSTYHLKSMEHM-QLFBSQMISA-N 237.387 2.872 30 20 BFED N#Cc1ccc(CNC[C@H]2C=CCC2)cc1 711677780 CTEOTVUGWGTGAO-ZDUSSCGKSA-N 212.296 2.614 30 20 BFED C/C=C\C(=O)N(CCC#N)c1ccc(F)cc1 737844785 SGMWTVSKMGWKEN-RQOWECAXSA-N 232.258 2.648 30 20 BFED C=CCNC(=S)N1CCCC(C)(C)CC1 741505589 YYQDFLDCRWXHIS-UHFFFAOYSA-N 226.389 2.559 30 20 BFED C#CCN(CC)CC#Cc1cccc(Cl)c1 747620045 PFLXNVKCMDWXKS-UHFFFAOYSA-N 231.726 2.647 30 20 BFED C#C[C@@H](CC)NC(=O)NCC1(C)CCCCC1 753182072 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BFED CC(C)CNN=Cc1cc(F)ccc1F 771563056 WPPNTQWIMSYVEV-UHFFFAOYSA-N 212.243 2.544 30 20 BFED CC(C)(C)OC(=O)NOCc1ccccc1C#N 772931444 BEKBVPOADHUKON-UHFFFAOYSA-N 248.282 2.515 30 20 BFED C[C@H]1CCCC[C@@H]1C=NOC1CCOCC1 774434850 SHGWBKDDRYAPEN-NWDGAFQWSA-N 225.332 2.994 30 20 BFED COCC(=NOCCC(F)(F)F)C(C)C 777461331 XGKFEXRQFYCVNL-UHFFFAOYSA-N 227.226 2.614 30 20 BFED CC(C)C1CCC(=NN[C@@H]2CCCOC2)CC1 780252618 WQMGXJXDOSJSKS-TYZXPVIJSA-N 238.375 2.957 30 20 BFED C=C[C@@](C)(CC)C(=O)OCCCOCC 785757476 KGOHMSPAYVWBTQ-LBPRGKRZSA-N 214.305 2.559 30 20 BFED C(=NNCCc1ccncc1)[C@@H]1C[C@H]2CC[C@H]1C2 789097438 PTRNNJXGGUQMFD-KKUMJFAQSA-N 243.354 2.636 30 20 BFED CC[C@H](C)NN=C(C)c1ccc2c(c1)OCO2 790188273 IKIICCCIMKNTOB-VIFPVBQESA-N 234.299 2.527 30 20 BFED C#Cc1cccc(NC(=O)[C@@H](OC)[C@H](C)CC)c1 792915414 LGGFGOHVOGRKPX-RISCZKNCSA-N 245.322 2.668 30 20 BFED C#C[C@@H](C)N(C)Cc1ccc(Cl)cc1OC 796456599 MLRVLVPERVETNF-SNVBAGLBSA-N 237.730 2.802 30 20 BFED C#CCCCN[C@@H](C)c1ccc2nc(O)oc2c1 796776282 NLWNFJUVJRDHQR-JTQLQIEISA-N 244.294 2.597 30 20 BFED CC[C@@](C)(C#N)C(=O)OCc1ccccc1C#N 796930557 FHNQTYJKPWOYBR-AWEZNQCLSA-N 242.278 2.541 30 20 BFED C#C[C@H](NC(=O)[C@H]1CCCC(C)(C)C1)C(C)C 799043291 HHZPQHDWBPVHMA-STQMWFEESA-N 235.371 2.977 30 20 BFED C#C[C@@H](NC(=O)[C@H](C)C1CCCC1)C(C)C 799046392 HCFDKDXXCDJDEE-DGCLKSJQSA-N 221.344 2.587 30 20 BFED CC#CC(=O)Nc1ccc(-c2ccc[nH]2)cc1 801182163 JGIPXHWPZHKBKB-UHFFFAOYSA-N 224.263 2.644 30 20 BFED C#CCON=Cc1c(C)[nH]c2ccc(F)cc12 812233799 XGZNXXYRJWVHKY-UHFFFAOYSA-N 230.242 2.599 30 20 BFED C#CCON=Cc1cc2ccccc2nc1Cl 812234829 YAPZGLNGGSNZOD-UHFFFAOYSA-N 244.681 2.872 30 20 BFED CC(C)(C)n1cc(C=NOC2CCC2)cn1 812234944 DGIZKNMNUHOAHT-UHFFFAOYSA-N 221.304 2.541 30 20 BFED C(=NOC1CCC1)c1ccc(N2CCCC2)nc1 812236128 XAUPIBIXGIGVHT-UHFFFAOYSA-N 245.326 2.585 30 20 BFED CC(C)OCCON=Cc1ccc(Cl)o1 814936712 GOSXTIRQFRWFOX-UHFFFAOYSA-N 231.679 2.709 30 20 BFED C=CCOCCN(C[C@H]1CCC[C@H](C)C1)OC 815119381 WCGPKRYYTMBXHY-KBPBESRZSA-N 241.375 2.879 30 20 BFED CC(=NNCC(C)C)c1ccncc1Cl 817326395 QOIMNXJOWYESFE-UHFFFAOYSA-N 225.723 2.705 30 20 BFED CC(=NOC(C)C)c1ccncc1Cl 817330895 UALDSXIEYNUTRR-UHFFFAOYSA-N 212.680 2.884 30 20 BFED C=C(C)C(C)(C)C(=O)NOC1CCCCC1 819504505 VTXFLXJDFPJGCD-UHFFFAOYSA-N 225.332 2.969 30 20 BFED C[C@H]1CCCC1=NN[C@@H](C)c1ccncc1 819815238 OFYLOPJQYUDFDK-QWRGUYRKSA-N 217.316 2.908 30 20 BFED CO[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 821342078 KKYAJMPRYYMFHE-GJZGRUSLSA-N 244.338 2.558 30 20 BFED C=C(Cl)CN(C)C[C@](C)(O)c1ccccc1 823584292 DKZTVPRZTYQBHO-ZDUSSCGKSA-N 239.746 2.578 30 20 BFED C#Cc1cnc(N2CCC3(CCCCC3)C2)nc1 827683843 AQRWCRQDASPJTN-UHFFFAOYSA-N 241.338 2.619 30 20 BFED C#CC1CCN(C[C@H]2CCCCN2C(C)C)CC1 830350379 AZDYNXAJRCSEDT-MRXNPFEDSA-N 248.414 2.595 30 20 BFED CC(C)CON=C1CCCc2cc(N)ccc21 834967054 XCOYKVCQDPEFFT-UHFFFAOYSA-N 232.327 2.982 30 20 BFED COc1nccnc1NN=C1C[C@H](C)CC[C@@H]1C 834968808 ICBNDYIBUFSSIY-ZJUUUORDSA-N 248.330 2.709 30 20 BFED CO[C@H]1CC(=NOC/C=C/Cl)C12CCC2 834980414 YCEPNOYMGZJHDU-YPLRYRPQSA-N 229.707 2.701 30 20 BFED C#CCCCOC(=O)[C@H]1CCCCC1(F)F 835087933 PHDFTGFQYLPXQC-SNVBAGLBSA-N 230.254 2.769 30 20 BFED C#C[C@H](NC(=O)NCC(C)(C)C=C)C(C)(C)C 836460353 JXWPNJOHVHKQPN-NSHDSACASA-N 236.359 2.546 30 20 BFED CC#CCN(C)C(=O)N[C@@H](C)CCCCC 837327282 QTYAUCIFEVZGOD-LBPRGKRZSA-N 224.348 2.620 30 20 BFED C[C@@H](Cc1ccsc1)NC(=O)C#CC(C)(C)C 837358981 AQUDTUKVGDYDSB-NSHDSACASA-N 249.379 2.845 30 20 BFED C#CC[C@H](OC(=O)[C@@H](C)C1CCC1)C1CC1 838812738 CRZQHLQAPHOMQJ-GWCFXTLKSA-N 220.312 2.768 30 20 BFED C#CCC[C@H](C)OC(=O)COCc1ccccc1 839035500 XUCTWYHNVYDNFJ-ZDUSSCGKSA-N 246.306 2.548 30 20 BFED C#CCC[C@@H](C)OC(=O)[C@@H](F)Cc1ccccc1 839040916 DQMFPBAFMRMOPM-OCCSQVGLSA-N 248.297 2.912 30 20 BFED CC[C@H](CC#N)NCc1ccc(N(C)C)cc1C 840938895 HUIQMPUHBGESDP-CQSZACIVSA-N 245.370 2.843 30 20 BFED Cc1cccc2c1C(=NOCC(F)F)CC2 841631525 HJUKRUGCTHJJJR-UHFFFAOYSA-N 225.238 2.927 30 20 BFED C[C@@H]1CC(=NNc2ccccc2Cl)CO1 842523306 ZAQIHTHVCUVTSS-MRVPVSSYSA-N 224.691 2.917 30 20 BFED CCCON=C1CCCc2ccc(O)cc21 842551768 UNORGUICGMHMLL-UHFFFAOYSA-N 219.284 2.859 30 20 BFED C=C[C@@H](C)ON=C(C)c1ccc(F)cc1O 844623048 DMTZBOKBQHOYRQ-MRVPVSSYSA-N 223.247 2.846 30 20 BFED C=C(C)CONC(=O)N(C)[C@@H]1CCCC[C@@H]1C 845593039 UIYJYQUEWCEKOP-NWDGAFQWSA-N 240.347 2.714 30 20 BFED C=CC[C@H]1CCCCC1=NNC(=S)N(C)C 853305265 UUGFPTXTJZMDGU-JTQLQIEISA-N 239.388 2.545 30 20 BFED CC(C)ON=Cc1ccc(F)c(F)c1F 853354211 ZPUIQOAVKUBNNF-UHFFFAOYSA-N 217.190 2.863 30 20 BFED COCC[C@H]1CCCC1=NOCC1CCC1 853441636 ZQSVDBZNCWYWJG-GFCCVEGCSA-N 225.332 2.996 30 20 BFED C[C@@H](CNC[C@@H](O)CC(C)(C)C#N)C(C)(C)C 857235159 ZQGXTEAPTKKPIA-RYUDHWBXSA-N 240.391 2.559 30 20 BFED C/C(=C/C(=O)N[C@@H](C#N)C(C)C)c1cccs1 857602517 QAYMCSZLEJBVHU-BRNRAETOSA-N 248.351 2.816 30 20 BFED C#CCCOC(=O)N1CCCc2sccc2C1 858955134 HLVPTCQUSKZUQR-UHFFFAOYSA-N 249.335 2.656 30 20 BFED CCCCCCCNC(=O)c1c[nH]c(C#N)c1 862357761 GEQINMFRKGSGPP-UHFFFAOYSA-N 233.315 2.587 30 20 BFED CCCCCCCNC(=O)C[C@](C)(O)C1CC1 862358256 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N#C[C@@H]1CC[C@H](N[C@@H](c2ccncc2)C2CC2)C1 898319917 JBLKPYNNYDYGNS-BYCMXARLSA-N 241.338 2.815 30 20 BFED CC(C)[C@H](NCC(C)(C)C#N)c1ccccn1 903102384 XNZACIREZQMBNA-ZDUSSCGKSA-N 231.343 2.918 30 20 BFED C=C[C@@H](CC)CC(=O)OCc1cc(C#N)ccn1 909523160 WJIUTGWTLIWHRL-NSHDSACASA-N 244.294 2.599 30 20 BFED Cc1nc(C)c(C(=O)OCCCCC#N)s1 912958363 GJQWGNLJEKCJOD-UHFFFAOYSA-N 238.312 2.611 30 20 BFED C[C@@H]1CCN1C(=O)c1ccccc1SCC#N 914163077 VAKRUNLFNVVVSF-SNVBAGLBSA-N 246.335 2.537 30 20 BFED Cc1cn(CCCC(C)(C)C#N)c(=O)s1 920325587 PYPKLBHASKFHSJ-UHFFFAOYSA-N 224.329 2.548 30 20 BFED CCON=C1CCOc2c(C)cccc21 920372260 YAHFRQRVRQGZLI-UHFFFAOYSA-N 205.257 2.518 30 20 BFED C=CC[C@H](C)N[C@H](C)C1(Br)CC1 925432521 SXSCCLWIOXHNHZ-DTWKUNHWSA-N 232.165 2.857 30 20 BFED C=CC[C@@H](C)NC(=O)[C@@H](C)c1cccc(O)c1 933037986 COJDCUIYTXVOFM-MNOVXSKESA-N 233.311 2.577 30 20 BFED C[C@@H]1CC(=NNCC2CCOCC2)C[C@H](C)C1 1116345047 BDTZROYYMAZJTG-TXEJJXNPSA-N 238.375 2.815 30 20 BFED C=CC(C)(C)CC(=O)OCc1cnsc1 1262102856 YRGXBQMMJKSRHS-UHFFFAOYSA-N 225.313 2.789 30 20 BFED C#CCN(CC1CC1)c1cc(C)nc(C2CC2)n1 1320249715 RLRWMKHBSAMAIP-UHFFFAOYSA-N 241.338 2.512 30 20 BFED CC#CCCSCc1nnc(C)n1CCC 1320251884 XMXTYWVJUMGNRH-UHFFFAOYSA-N 237.372 2.643 30 20 BFED C(=NNCC1CCOCC1)C1CCCCC1 1321887006 OJRWMKGNLDQZJB-UHFFFAOYSA-N 224.348 2.569 30 20 BFED C=C[C@@H](COC)N[C@@H](C)c1cccc(F)c1F 1325620206 SAAXAFXVSLBHNF-UWVGGRQHSA-N 241.281 2.816 30 20 BFED CC(C)c1ccccc1C=NNc1ccn(C)n1 1329932899 GTBOKAXUCRMJKS-UHFFFAOYSA-N 242.326 2.990 30 20 BFED CCN(Cc1cccc(C#N)n1)C(C)(C)C 1331742603 RIHWSFPQOKPIHV-UHFFFAOYSA-N 217.316 2.574 30 20 BFED C=C(C)CCC(=O)N(C)Cc1cccc(C)n1 1335929931 IVLSJFSAQUCPAC-UHFFFAOYSA-N 232.327 2.705 30 20 BFED C#C[C@H](OC(=O)C12CCC(CC1)CC2)C1CC1 1343708026 GRLBLRGCGJFBHP-QRJNDHJOSA-N 232.323 2.912 30 20 BFED C=C(CC)C(=O)N[C@@H](CC)C(=O)c1ccccc1 1349001674 BKRBCSKGAMSFSN-ZDUSSCGKSA-N 245.322 2.730 30 20 BFED C=C(CC(C)C)C(=O)N(C)[C@H]1CCSC1 1351701810 ZDOKYVVEWIGQMO-NSHDSACASA-N 227.373 2.553 30 20 BFED C/C(=C/c1ccco1)C(=O)O[C@@H]1CC[C@H](C#N)C1 1357690646 YKEMBEHCZPBNMK-UOXABAFYSA-N 245.278 2.918 30 20 BFED C=C(C)CCC(=O)N(CC)c1cccnc1 1516718763 CNGIRTOFRQIQFZ-UHFFFAOYSA-N 218.300 2.791 30 20 BFED C=CC[C@H](C(=O)O)N1CCCCCCCC1 1573350101 BGBCYQRPEINYHQ-GFCCVEGCSA-N 225.332 2.672 30 20 BFED C[C@H](CC=NNc1ccc(Cl)cc1)C(=O)O 1609738036 QLIXYRROFPVFOS-MRVPVSSYSA-N 240.690 2.849 30 20 BFED Oc1ccc(Br)cc1/C=N/C1CC1 6508971 IVIXAGNDVJVARE-WUXMJOGZSA-N 240.100 2.736 30 20 BFED C[C@@H](NCCC#N)c1nc2ccccc2s1 20199876 LYMCUXVUSJMGNB-SECBINFHSA-N 231.324 2.861 30 20 BFED CC(C)[C@@H](C)N(C)C[C@H](O)c1ccc(C#N)cc1 36787279 QMOWEFDDEOKRAF-DOMZBBRYSA-N 246.354 2.568 30 20 BFED N#Cc1ccc(Oc2cccc([N+](=O)[O-])c2)nc1 37981459 YIDHUHCKMFBZRC-UHFFFAOYSA-N 241.206 2.654 30 20 BFED CCc1ccc([C@H](C)NC(=O)C(C)(C)C#N)cc1 42091751 WINFIQJHXSTRAT-NSHDSACASA-N 244.338 2.976 30 20 BFED CCN(Cc1ccc(C)cc1)C[C@@H](C)C#N 42449593 KQTOSWZYBZQJCQ-ZDUSSCGKSA-N 216.328 2.977 30 20 BFED CC[C@H](C#N)C(=O)N(CC)c1ccccc1C 44810217 QLQAJFCWKHTUHZ-GFCCVEGCSA-N 230.311 2.898 30 20 BFED C=C(C)COC(=O)c1ccc([N+](=O)[O-])c(C)c1 57983523 RIRZRQDBASBCRS-UHFFFAOYSA-N 235.239 2.636 30 20 BFED CCCOc1cccc(C(=O)N[C@H](C)CC#N)c1 60028489 YVVMTQBETHYYCA-LLVKDONJSA-N 246.310 2.507 30 20 BFED O=CCCc1cc(F)ccc1Br 60710363 BOQNVVTZZBQXEQ-UHFFFAOYSA-N 231.064 2.720 30 20 BFED in-vitro C[C@H]1C[C@H](CC(=O)N[C@@H](C)C#N)CC(C)(C)C1 66633745 SVOUGCMYHWFLRO-SDDRHHMPSA-N 236.359 2.867 30 20 BFED Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC(C)(C)C#N 76996718 BZJFLXDGDAANDV-QWHCGFSZSA-N 242.322 2.517 30 20 BFED C[C@H](NCCC(C)(C)C#N)c1nccs1 83638894 PSYLGQXDKSJKRJ-VIFPVBQESA-N 223.345 2.734 30 20 BFED CCCCC[C@@H](C)NC(=O)C1(C#N)CCC1 83794896 PJNWPSIPKLVOQN-LLVKDONJSA-N 222.332 2.765 30 20 BFED C[C@H](CC#N)N(C)C/C(Cl)=C/Cl 86000112 JPLWMBQIQIUGGH-BESBCXERSA-N 207.104 2.539 30 20 BFED N#CCC1(CN2CCC[C@H]3CCC[C@H]32)CC1 88259574 PKSCVFXLFZGGQA-CHWSQXEVSA-N 218.344 2.945 30 20 BFED Cn1cc(/C=C/C(=O)c2cc(F)cc(F)c2)cn1 88305083 ZWCDMZAPRWKTRU-NSCUHMNNSA-N 248.232 2.594 30 20 BFED Cc1ccc(C(=O)N(C)[C@@H](C)CC#N)c(F)c1 94216675 UJYRYLZIHXKSFX-JTQLQIEISA-N 234.274 2.508 30 20 BFED CCN(CC)C(=O)Nc1ccc(F)cc1C#N 97036682 PQWPMPWJXUKOHZ-UHFFFAOYSA-N 235.262 2.571 30 20 BFED C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)C[C@@H]1C 97637360 RXTAJXPWRAMYSX-UWVGGRQHSA-N 245.282 2.559 30 20 BFED C=CCCOC(=O)c1ccc(SCC)nc1 103646201 APEJQAGSYLHRJO-UHFFFAOYSA-N 237.324 2.927 30 20 BFED C=CCCC(=O)N[C@H](C)c1csc(CC)n1 110505753 RHEMWKKHODQFHV-SECBINFHSA-N 238.356 2.849 30 20 BFED C=CCCCSCC(=O)NCCCCC 117945041 WPOKQJHSBWGZKJ-UHFFFAOYSA-N 229.389 2.992 30 20 BFED C=CCCCOC(=O)COc1ccccc1C 117992942 RSDJTHVQKJOAAI-UHFFFAOYSA-N 234.295 2.883 30 20 BFED CCc1ccccc1C(=O)N1CCC(C#N)CC1 119586709 CPESHVMBOPPZKT-UHFFFAOYSA-N 242.322 2.625 30 20 BFED CC[C@@H](C#N)NC(=O)c1cc2ccc(C)cc2[nH]1 120143273 DAFIZGZRGGDOCY-NSHDSACASA-N 241.294 2.508 30 20 BFED COc1cc(C#N)ccc1CN1CCC(C)(C)C1 121086643 OEEHVLRCXGEBIK-UHFFFAOYSA-N 244.338 2.799 30 20 BFED C=CCC[C@@H](C)NCc1nc(C)cs1 126745244 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30 20 BFED C=C[C@@](C)(CC)C(=O)N1CCSC[C@H]1C 187944537 TZQCLIWZOBVSLN-PWSUYJOCSA-N 227.373 2.553 30 20 BFED Cc1ccc(/C=N/OCC[C@@H]2CCCO2)cc1 189204781 UAEIOQGKLZRXBD-AYYGCFCKSA-N 233.311 2.915 30 20 BFED CCC(C)(C)N(CCC#N)C(=O)[C@H]1C[C@@H]1C1CC1 189941478 DUWLQLXQOKIXLI-OLZOCXBDSA-N 248.370 2.963 30 20 BFED CC#CCCN(C)[C@H](COC)Cc1ccccc1 191507767 BLLYKLBRJOIRDQ-INIZCTEOSA-N 245.366 2.589 30 20 BFED CN(Cc1ccoc1)Cc1cc(F)ccc1C#N 229958057 JNFYUAGUOYHEPZ-UHFFFAOYSA-N 244.269 2.922 30 20 BFED C[C@H](C#N)C(=O)Nc1cc(F)cc(Cl)c1 230015697 GORPWSREYOUEET-ZCFIWIBFSA-N 226.638 2.577 30 20 BFED C=CCC[C@@H](C)NCC1(CCOC)CC1 230668757 DLCCEJPHVAIGTO-GFCCVEGCSA-N 211.349 2.747 30 20 BFED C#C[C@H](CCC)NC(=O)C1(c2ccccc2)CC1 233357053 NBAMTTWITRBGOL-CQSZACIVSA-N 241.334 2.636 30 20 BFED C[C@@H]1CN(CCCCC(C)(C)C#N)CCCO1 235361452 GPFYOENMMWYXJE-CYBMUJFWSA-N 238.375 2.817 30 20 BFED C[C@H](CC#N)N(C)C(=O)C=C1CCCCC1 264061283 LSXYYRFGTULQJO-LLVKDONJSA-N 220.316 2.637 30 20 BFED C=C1CCN(C(=O)Cc2ccc(C)cc2)CC1 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20 BFED CCCCN(CC)C(=O)C#CC(C)(C)C 837311995 XJBCTGLVMTXAFS-UHFFFAOYSA-N 209.333 2.685 30 20 BFED C[C@H](c1ccco1)N(C)C(=O)C#CC(C)(C)C 837332624 OAEJJMMMCUIXQG-LLVKDONJSA-N 233.311 2.849 30 20 BFED CC(C)C[C@H](C)OC(=O)c1cnccc1C#N 837733150 WBLHLCNQSHATAQ-JTQLQIEISA-N 232.283 2.545 30 20 BFED CCC(=NNc1ccc(C(=O)O)cn1)[C@@H]1C[C@H]1C 841631782 KVOQZYUUGNBXEC-PSASIEDQSA-N 247.298 2.614 30 20 BFED CCC(=NN[C@@H]1CCSC1)[C@H]1CC1(C)C 841637938 MHGBIFLJWVUMHD-NXEZZACHSA-N 226.389 2.894 30 20 BFED C(=NN[C@H]1CCSC1)c1ccc(C2CC2)cc1 841638044 OTJGENWJZHEDSP-AWEZNQCLSA-N 246.379 2.993 30 20 BFED C[C@H]1CC[C@H](C(=O)O[C@@H](C#N)C2CC2)CC1 845479494 OLLDCMSXJOYDIL-DLOVCJGASA-N 221.300 2.658 30 20 BFED CCCC(C)=NNc1ccc(CC(=O)O)cc1 848415229 JTMNNNYHAQBPRC-UHFFFAOYSA-N 234.299 2.902 30 20 BFED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1ccn(C)n1 851144912 URQBXTQBDCJREU-DGCLKSJQSA-N 248.326 2.712 30 20 BFED C=C[C@H](OC(=O)[C@H]1C[C@H]1OCC)c1ccccc1 851453620 RTTZCEDWOKNUPE-MELADBBJSA-N 246.306 2.882 30 20 BFED C=CCCCCCCNC(=O)NCCC=C 852338244 NSPJRJYWINLART-UHFFFAOYSA-N 224.348 2.998 30 20 BFED Fc1cccc(C=NNC2CC2)c1OC(F)F 853333398 KIIZOFAEQUCKCV-UHFFFAOYSA-N 244.216 2.513 30 20 BFED CSCCON=C[C@@H]1CC1(Cl)Cl 853341330 LORQVWZLPVXRNO-LURJTMIESA-N 228.144 2.546 30 20 BFED C#CCOCCOc1cnc2c(C)cccc2c1 853724924 GUNDVEYDQRLCGQ-UHFFFAOYSA-N 241.290 2.572 30 20 BFED C#C[C@H](CCC)NC(=O)C[C@@H](C)c1ccco1 861296513 AETOOEWEKQRBST-VXGBXAGGSA-N 233.311 2.691 30 20 BFED CCCCCCCNC(=O)C1(F)CCOCC1 869379285 WRVZTHYGXGASKE-UHFFFAOYSA-N 245.338 2.592 30 20 BFED CCCCCCCN1C[C@H]2COC[C@H]2C1 872320688 IFPSXNQXOZIQKQ-BETUJISGSA-N 211.349 2.535 30 20 BFED CC(=O)Nc1cccc(C=NOCCC2CC2)c1 872378950 SOGGJCPNCOCFAF-UHFFFAOYSA-N 246.310 2.796 30 20 BFED CC[C@H](CC#N)NCc1cc(F)ccc1N(C)C 877367220 ZKXCQARJLUDMQX-CYBMUJFWSA-N 249.333 2.674 30 20 BFED C#C[C@H](C)N(C)Cc1cccc2ncccc12 877479347 BAZYNTNAMLRRDB-LBPRGKRZSA-N 224.307 2.688 30 20 BFED CCC#CCOC(=O)CCCC1CCOCC1 893840282 MCLKJISJLXDPBY-UHFFFAOYSA-N 238.327 2.540 30 20 BFED C=CC[C@@H](C)[C@H](C)NCc1ccc(CCO)cc1 898170697 JXNSFTDRVKEREO-KGLIPLIRSA-N 247.382 2.912 30 20 BFED C=C1CN(C(=O)c2cc3c(C)c(C)ccc3[nH]2)C1 898696287 FCRNDIOMUXXVQR-UHFFFAOYSA-N 240.306 2.797 30 20 BFED C#CCCCNc1ccc2c(c1)C[C@H](C)O2 901447730 PLQTUVAFUWDLDF-NSHDSACASA-N 215.296 2.835 30 20 BFED C=CCC[C@H](N[C@@H](C)[C@H](C)CC=C)C(=O)O 901690364 OLYLLTZTDXZWFP-WOPDTQHZSA-N 225.332 2.596 30 20 BFED C=CC[C@@H]1CC[C@@H](N[C@@H](CCCC)C(=O)O)C1 901711047 QKYZXJZMNRBGDD-UPJWGTAASA-N 239.359 2.964 30 20 BFED C#CCCCNc1cccc(OC)c1OC 902161311 ANBPTKUWPPEIHM-UHFFFAOYSA-N 219.284 2.529 30 20 BFED CN(CCCCC1(C#N)CCC1)[C@@H](CN)C1CC1 903750241 VTUUQEMRRLYPJC-AWEZNQCLSA-N 249.402 2.520 30 20 BFED C=CCCC[C@@H](N)C(=O)Nc1ccccc1C 911906990 BBYZSPLWKOTJKY-GFCCVEGCSA-N 232.327 2.617 30 20 BFED CCCCCCNC(=O)N1CCC[C@@H](C#N)C1 913839581 YHAFRAMVEWHIAJ-LBPRGKRZSA-N 237.347 2.512 30 20 BFED CCCNN=Cc1cn[nH]c1-c1ccc(F)cc1 915965021 ABQOMAJWVHLGTC-UHFFFAOYSA-N 246.289 2.549 30 20 BFED CO[C@@H](CN[C@@H](C)CC(C)(C)C#N)C(C)(C)C 925187659 DWXQZBZUQWIEQY-RYUDHWBXSA-N 240.391 2.965 30 20 BFED C#Cc1cccc(NC(=O)N2CCC(=C)CC2)c1 929486180 RUITUYQYWMYMAN-UHFFFAOYSA-N 240.306 2.852 30 20 BFED C=C[C@H](CC)CC(=O)NC[C@@H]1CC1(C)C 932634729 XBAIKUPOBOIKOV-MNOVXSKESA-N 209.333 2.751 30 20 BFED Cn1ccc(NN=Cc2sccc2Cl)n1 1116815284 GXQMTZJHDFZVPO-UHFFFAOYSA-N 240.719 2.581 30 20 BFED C/C(=C/C(=O)N[C@H](C#N)C1CCCC1)C1CC1 1119667185 JDVLJHTXFNFQLP-CHOZFAJLSA-N 232.327 2.541 30 20 BFED C=C1CCN(C(=O)N[C@H]2CCC[C@@H](F)C2)CC1 1120044104 ZSUIDHGISIFMCT-NEPJUHHUSA-N 240.322 2.629 30 20 BFED CC(C)[C@H](C)OC(=O)c1ccc(C#N)cc1F 1122719762 MYYOJMOBELULAH-VIFPVBQESA-N 235.258 2.899 30 20 BFED C=C(C)CCC(=O)N1CCOC2(CCCC2)C1 1262614762 PWZCPZNFNZOCIC-UHFFFAOYSA-N 237.343 2.514 30 20 BFED C=C(CC(C)C)C(=O)N1CCCCCC1 1263696607 RCMLMJMABLVPOL-UHFFFAOYSA-N 209.333 2.991 30 20 BFED C#CCN(CC1CC1)C(=O)C=C(CC)CC 1319459396 CTFNIWVRGCDZLP-UHFFFAOYSA-N 219.328 2.605 30 20 BFED CC[C@H](NC(=O)[C@@H](C)C#N)c1ccc(F)cc1 1320191329 BCXXOVMDUBYXDL-CABZTGNLSA-N 234.274 2.553 30 20 BFED C#CCN(CC1CC1)C(=O)N[C@@H]1CCC[C@H]1CC 1322948507 HBIGZISTELVHNB-ZIAGYGMSSA-N 248.370 2.620 30 20 BFED C=C(C)CCNC(=O)N1CC(C)(C)C1(C)C 1326781377 LQCJSDORWUHHNT-UHFFFAOYSA-N 224.348 2.783 30 20 BFED C=CCC[C@@H]1CCCN1c1ncc(C)cn1 1336758154 CINZNSQOSMLIIF-GFCCVEGCSA-N 217.316 2.720 30 20 BFED C=C(C)CCC(=O)NN1[C@@H](C)CCC[C@H]1C 1337259387 PWOKHEQXKGIHQE-TXEJJXNPSA-N 224.348 2.637 30 20 BFED C=C(C)CCC(=O)NC[C@H]1CCCC1(F)F 1339027559 DWPPSLYKNWOSCO-SNVBAGLBSA-N 231.286 2.894 30 20 BFED C=C[C@H](C(=O)N(C)C1CCC1)c1ccccc1 1346761503 IBSNVUFYTOSZBU-AWEZNQCLSA-N 229.323 2.967 30 20 BFED C=C(CC)C(=O)N(C)Cc1cccc(N(C)C)c1 1348140054 KZLNYAZGAIYDBA-UHFFFAOYSA-N 246.354 2.677 30 20 BFED C=CCC[C@H]1CCCN1C(=O)/C=C(/C)COC 1514859190 PPADMFHDNWRLGQ-UKVQZPPCSA-N 237.343 2.536 30 20 BFED CCn1ccnc1[C@@H](C#N)C(=O)C[C@H](C)C1CC1 1520035294 AOPXUSXZSBSYIU-JQWIXIFHSA-N 245.326 2.515 30 20 BFED N#Cc1sccc1C(=O)Nc1ccccc1 1530081834 UJKRNKCNVLVHRX-UHFFFAOYSA-N 228.276 2.872 30 20 BFED C=CC[C@H](Nc1ccc(C)cc1OCC)C(=O)O 1588752366 WPVRHNFWZOGZFR-LBPRGKRZSA-N 249.310 2.835 30 20 BFED C=CCCc1ccccc1NC(=O)CCC(=O)O 1588814728 NLOMPTLGXQBLQC-UHFFFAOYSA-N 247.294 2.609 30 20 BFED N#Cc1cc(Cl)cc(OCCc2cnoc2)c1 1652868810 KCOGCADMPRIDIX-UHFFFAOYSA-N 248.669 2.821 30 20 BFED N#Cc1cc(Oc2ccc3c[nH]nc3c2)ccn1 1655224525 WTPIMJODISBBBQ-UHFFFAOYSA-N 236.234 2.622 30 20 BFED N#Cc1ccc(NCC2CCC2)c(F)c1 37412610 JKRAOSHYQINDFQ-UHFFFAOYSA-N 204.248 2.909 30 20 BFED CC(C)c1cccc(NC(=O)[C@@H](C)C#N)c1 44814237 LAMBDFYFCDLYKL-JTQLQIEISA-N 216.284 2.908 30 20 BFED CCCCN(C(=O)[C@@H](C#N)CC)[C@@H](C)CC 44826737 JGOKBEBYHSRGQR-NWDGAFQWSA-N 224.348 2.963 30 20 BFED C[C@@H](C#N)N(C)C(=O)c1cc2c(s1)CCCC2 45142477 MPPGDLYZBBHBES-VIFPVBQESA-N 248.351 2.611 30 20 BFED Cc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 46439720 LBGOGBPJMOFMIF-ZDUSSCGKSA-N 236.274 2.880 30 20 BFED Cc1nnc(SCc2cccc(C#N)c2)o1 48402694 BPAIZKNWXXKQEP-UHFFFAOYSA-N 231.280 2.542 30 20 BFED CC[C@@H](C#N)C(=O)N[C@H](CC)c1ccccc1 51628702 AOMMCDRWZGAZFY-WCQYABFASA-N 230.311 2.804 30 20 BFED C=C(C)CN(C)CCOc1ccccc1C 53421841 BSHJBYRPGWDTFS-UHFFFAOYSA-N 219.328 2.882 30 20 BFED Cc1cc(C)c(C(=O)NC[C@@H](C)C#N)c(C)c1 54157025 AKYGNDMOYCPYKL-JTQLQIEISA-N 230.311 2.501 30 20 BFED CC[C@H](C)[C@H](C)NC(=O)c1cccc(CC#N)c1 57306659 PNAGPKRWJCENJJ-RYUDHWBXSA-N 244.338 2.917 30 20 BFED CC#CCN1CCC(Cc2ccccc2)CC1 59672306 SEYJGJJCYUDYKC-UHFFFAOYSA-N 227.351 2.964 30 20 BFED C[C@H](C#N)CN[C@@H](C)Cc1ccc(F)cc1 62052639 CRWKCZQRWXHLAJ-MNOVXSKESA-N 220.291 2.506 30 20 BFED C[C@@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 69572984 XFFSHOIDLCTPQN-SNVBAGLBSA-N 245.282 2.703 30 20 BFED C=CCNC(=O)NCC[C@H](C)c1ccccc1 72062397 XWOMVXHBGNRUGH-LBPRGKRZSA-N 232.327 2.665 30 20 BFED CO[C@H](CNCc1ccc(C#N)cc1)C(C)(C)C 72925469 CSUQGSWPSJPIJP-CQSZACIVSA-N 246.354 2.709 30 20 BFED C=C(Cl)CN1CCS[C@@H](CC)C1 76073654 AOJZMYQEQDMZQJ-VIFPVBQESA-N 205.754 2.566 30 20 BFED N#CC1(C(=O)N[C@H]2CC=CCC2)CCCCC1 80110827 GUVLXAXVUSNBIA-LBPRGKRZSA-N 232.327 2.685 30 20 BFED N#Cc1csc(CNC[C@@H]2CCCS2)c1 87473282 MVTZQICLXWYFSX-JTQLQIEISA-N 238.381 2.605 30 20 BFED C[C@@H](C#N)NC(=O)c1cccc(-c2ccoc2)c1 90039434 TZNFSWJJGBHSQX-JTQLQIEISA-N 240.262 2.588 30 20 BFED Cc1cccc(C)c1CN(C)C[C@H](C)C#N 96811132 NJSXNFOWADZVAZ-LLVKDONJSA-N 216.328 2.895 30 20 BFED C=C(Cl)CN(C)CCN(C)c1ccccc1 107792144 UQUCIACCTMIDKP-UHFFFAOYSA-N 238.762 2.807 30 20 BFED CCCCCCCCCC(=O)N[C@@H]1CCNC1 115062111 WYROXBABJCTFLS-CYBMUJFWSA-N 240.391 2.605 30 20 BFED C[C@H]1CCC[C@](C#N)(NC(=O)C[C@H]2C=CCC2)C1 116804320 NEALNDUUFUNPID-YDHLFZDLSA-N 246.354 2.931 30 20 BFED C=CC[C@H](C)NC(=O)c1csc(C2CC2)n1 116851712 MBOUOXPXPGPCKK-QMMMGPOBSA-N 236.340 2.715 30 20 BFED C=CC[C@@H](C)NC(=O)N[C@@H]1CCc2ccccc21 116938373 OZPDUSLWJWYDOZ-BXUZGUMPSA-N 244.338 2.938 30 20 BFED C=CCCOCCNC[C@H]1CC=CCC1 120826404 BFKGKDNXQYCFLX-ZDUSSCGKSA-N 209.333 2.525 30 20 BFED C=C(C)CN(CC)C(=O)[C@H](C)OCCC(C)C 121401304 NKYBRBMOQMXZEM-ZDUSSCGKSA-N 241.375 2.862 30 20 BFED C#CCN(C)[C@@H](C)c1sc(CC)nc1C 122193914 UKCYRMJXHOGBSF-JTQLQIEISA-N 222.357 2.640 30 20 BFED CC[C@H](C#N)Nc1cc(F)ccc1OC 122267958 DPYNCARDTJXQIR-SECBINFHSA-N 208.236 2.548 30 20 BFED CC(C)(C#N)CCN1C[C@H]2CCC[C@@H]2C1 123700172 BWNAPMYHCBCKGR-VXGBXAGGSA-N 206.333 2.658 30 20 BFED C#C[C@H](C)NC(=O)[C@H](c1ccccc1)[C@H](C)CC 124007854 ZZNIASQJMMZOAB-IPYPFGDCSA-N 243.350 2.954 30 20 BFED CC[C@H](C#N)OC(=O)c1cc(F)c(C)cc1F 127267967 QDWLEARFLUJFST-MRVPVSSYSA-N 239.221 2.732 30 20 BFED C=C[C@@H](C)Nc1cc(C)nc(C2CC2)n1 129298991 JDXLJSROYHSTNC-MRVPVSSYSA-N 203.289 2.649 30 20 BFED Cc1cc(C(=O)OCC2(CC#N)CC2)oc1C 129380082 SYSXMLNTBFCZEF-UHFFFAOYSA-N 233.267 2.747 30 20 BFED C=C(Cl)CN[C@@H](C)c1cncc(F)c1 129762084 PZULNXYHBNTNAI-QMMMGPOBSA-N 214.671 2.624 30 20 BFED C=C(C)COCCNCc1ccc(CC)o1 131392223 HVOZRRGSJGWKAB-UHFFFAOYSA-N 223.316 2.524 30 20 BFED C=CC1CCN(Cc2nccs2)CC1 135067741 QPVKRBBNNWUQGF-UHFFFAOYSA-N 208.330 2.541 30 20 BFED N#Cc1cc(F)ccc1NC(=O)CC(F)(F)F 135154355 UPFPGSTUKVZCLQ-UHFFFAOYSA-N 246.163 2.588 30 20 BFED CC(C)(CCC#N)CNCCOC1CCCC1 135164919 GQPZPELGEGRKOZ-UHFFFAOYSA-N 238.375 2.865 30 20 BFED CCCCCNCc1ccc(C#N)s1 135494986 ZTNNHAXBKOGPJS-UHFFFAOYSA-N 208.330 2.900 30 20 BFED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1cccs1 136191582 XXKIBEMPLMJYQT-SKDRFNHKSA-N 236.340 2.865 30 20 BFED CC(C)C[C@H]1CCCN(C(=O)C(C)(C)C#N)C1 151890772 XRBRQDISBLAESA-GFCCVEGCSA-N 236.359 2.821 30 20 BFED C=C(C)CNCc1ccccc1OC(F)F 153389871 LYJOTETVDSQCCW-UHFFFAOYSA-N 227.254 2.954 30 20 BFED C=CCN(C)C(=O)N[C@@H]1CCCCC1(C)C 155452232 RWAWSPLPDYKHKH-LLVKDONJSA-N 224.348 2.783 30 20 BFED C=CCCCCCN(C)C(=O)[C@@H]1CCCOC1 156784818 CIDKGCJRIGIDNZ-CYBMUJFWSA-N 239.359 2.618 30 20 BFED CC#CCCN[C@@H]1CCc2ccc(OC)cc2C1 158354636 UGRXFCZURCQLKV-OAHLLOKOSA-N 243.350 2.556 30 20 BFED C=C(C)CNC(=O)[C@H](C)c1ccsc1 161036609 YQMVTIKQZSKHDL-SECBINFHSA-N 209.314 2.544 30 20 BFED C=CCN(C)C(=O)CCOc1cc(C)cc(C)c1 161515653 PFGLYHZEWJVGNQ-UHFFFAOYSA-N 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2.651 30 20 BFED C=CCCN(C)C(=O)[C@H](C)C1CCCC1 682427228 HTQIOKHOZMOREA-LLVKDONJSA-N 209.333 2.847 30 20 BFED C=CCCN(C)Cc1nn(C)c2ccccc12 682436595 PNPQIRLPLZVTCB-UHFFFAOYSA-N 229.327 2.581 30 20 BFED C#CCN(C(=O)[C@@H](CC)CC(F)(F)F)C(C)C 688843645 IRQRCPHLNPSZTK-JTQLQIEISA-N 249.276 2.835 30 20 BFED CC[C@H](CC(F)F)CN1CCC[C@H](C#N)C1 701506390 NVZGDKZNUJYYLE-GHMZBOCLSA-N 230.302 2.903 30 20 BFED CC[C@@H](C)N(C)Cc1ccc(OCC#N)cc1 731212413 KQFYWKKFJDQMQG-GFCCVEGCSA-N 232.327 2.819 30 20 BFED CCON=Cc1ccc(OC)c(Cl)c1 741457263 GWMXVFMLQVSONV-UHFFFAOYSA-N 213.664 2.719 30 20 BFED COCC(=NNc1ccccc1F)C(C)C 741458918 RCLHLUIHADPMLQ-UHFFFAOYSA-N 224.279 2.896 30 20 BFED C=C1CCN(C(=O)[C@@H](C)c2ccc(C)o2)CC1 742641336 HVPQKKSVQDUNAS-LBPRGKRZSA-N 233.311 2.870 30 20 BFED C=CCN(C(=O)c1cc(C(C)C)n(C)n1)C(C)C 746511173 QUFUPOVSDNKYED-UHFFFAOYSA-N 249.358 2.580 30 20 BFED N#Cc1ccc(C(=O)Oc2ccccc2F)s1 749309736 ZSHUJFRPEALHCY-UHFFFAOYSA-N 247.250 2.978 30 20 BFED Cc1cc(C)cc(NN=C2CN(C)C[C@H]2C)c1 752163740 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2.921 30 20 BFED CC#CCOC(=O)C(F)(F)c1ccc(C)cc1 780191171 XPMZXRAAXYOGJU-UHFFFAOYSA-N 238.233 2.653 30 20 BFED CC(Cc1ccccc1F)=NN=c1cc[nH]cc1 780242318 BMWTWJDOORMHSH-UHFFFAOYSA-N 243.285 2.673 30 20 BFED C=C[C@](C)(CC)C(=O)OCCCCCCO 785752663 DYWWMCJBIGWXKD-CYBMUJFWSA-N 228.332 2.685 30 20 BFED COCc1ccc(C=NNc2ncccc2C)o1 790191569 WQZQTQXSBLXTBQ-UHFFFAOYSA-N 245.282 2.575 30 20 BFED Cc1ccc(C=NN[C@@H](C)C(C)(C)C)nc1 793111471 HZDURVGDHCCKSA-NSHDSACASA-N 219.332 2.748 30 20 BFED CC[C@H](C)CON=C1CCCc2c1cnn2C 793157421 AHFBEBKKQXKWIB-JTQLQIEISA-N 235.331 2.523 30 20 BFED C=CCC(C)(C)C(=O)OCCN1CCCCC1 796462473 CTJWYENQSXGTES-UHFFFAOYSA-N 239.359 2.618 30 20 BFED C=C(CC)COC(=O)c1cc(C#N)oc1C 797884968 DJWAPZXYBZCFFT-UHFFFAOYSA-N 219.240 2.583 30 20 BFED Cc1cc(Cl)nc(CN[C@H]2CC[C@@H](C#N)C2)c1 800494121 DJLUDLXPVKJZPE-MNOVXSKESA-N 249.745 2.825 30 20 BFED CC#CC(=O)NCC(C)(C)C1CCCCC1 801180036 PAVLTFDFMWTFLW-UHFFFAOYSA-N 221.344 2.732 30 20 BFED C#C[C@H](CC)NC(=O)Nc1ccc(C)cc1OC 806225870 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2.703 30 20 BFED C[C@@H](C1CC1)N(C(=O)C#CC(C)(C)C)C1CC1 837339622 YRDWKEYHTAXKML-NSHDSACASA-N 233.355 2.825 30 20 BFED C=CCC1(C(=O)OCCCN(C)C)CCCC1 838285904 YRCMOWXEUIQPJJ-UHFFFAOYSA-N 239.359 2.618 30 20 BFED CC(C)CCCCC(=O)OC[C@H](C)C#N 838819074 QCBWBTHAANQWDD-LLVKDONJSA-N 211.305 2.906 30 20 BFED C=CC[C@H](Cc1ccccc1)NC(=O)C(F)F 839891946 SDBNFDGSLFEQPK-LLVKDONJSA-N 239.265 2.555 30 20 BFED C=CCCCCSCCN1CCOC1=O 842187997 DFYLHRUVOLFNBZ-UHFFFAOYSA-N 229.345 2.528 30 20 BFED C#C[C@H](OC(=O)C[C@H](C)COC)c1ccccc1 842365412 NMLIQGRGYVCERC-JSGCOSHPSA-N 246.306 2.577 30 20 BFED C=C(Cl)CN1CCC[C@H](OC(C)C)C1 844376587 ARBHVNGZAYVOLK-NSHDSACASA-N 217.740 2.628 30 20 BFED C=C(C)CON=C(C)c1cnn(C(C)C)c1 844617842 SSNFNSHLQFYMFH-UHFFFAOYSA-N 221.304 2.781 30 20 BFED C=C[C@@H](C)ON=Cc1ccc(C(F)(F)F)[nH]1 844623635 DWOKNNUKQMYFEX-SSDOTTSWSA-N 232.205 2.959 30 20 BFED C=CCC[C@@H](C)OC(=O)c1ncccc1F 850133187 FXYGZEITDZJESO-SECBINFHSA-N 223.247 2.732 30 20 BFED CCCCCCCCN(C)Cc1nnc(O)o1 852189146 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N#Cc1cc(=NCc2ccc3occc3c2)cc[nH]1 1640136234 XBHKBQKTWDQEQO-UHFFFAOYSA-N 249.273 2.733 30 20 BFED CC[C@H](NN=C1CCC2(CCCC2)C1)C(=O)O 1776068184 SXJCPQADGARNJT-NSHDSACASA-N 238.331 2.540 30 20 BFED C=C1CC(CN2[C@@H](C)[C@@H](C(=O)O)CC[C@H]2C)C1 1776144128 OTRPUIRYSNDZHA-MDZLAQPJSA-N 237.343 2.526 30 20 BFED C=CCCCN1CC2(CCCC2)C[C@H]1C(=O)O 1776174173 WXKGCTCJELMNSO-LBPRGKRZSA-N 237.343 2.672 30 20 BFED CCN(CC)CCN[C@@H](C)c1ccc(C#N)cc1 19919328 SQWDNJMSUMLYSL-ZDUSSCGKSA-N 245.370 2.551 30 20 BFED CC(C)CC(=O)Nc1cccc(OCC#N)c1 36987817 RUYIDFBVTPSLJI-UHFFFAOYSA-N 232.283 2.574 30 20 BFED CCC[C@@H](C)NCc1cccc(OCC#N)c1 37189415 VZXPBBICBGSMPS-GFCCVEGCSA-N 232.327 2.867 30 20 BFED CCN(CCC#N)C(=O)Nc1ccccc1F 42247370 ZLFSYTPIVSYCGR-UHFFFAOYSA-N 235.262 2.593 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)c1cc(C)ccc1C 42296150 ZFMPQCHEKAKWES-LBPRGKRZSA-N 244.338 2.925 30 20 BFED CC[C@@H](C#N)C(=O)Nc1cccc(SC)c1 44809094 GYSCASVTRJTEOC-VIFPVBQESA-N 234.324 2.897 30 20 BFED CC[C@@H](C#N)C(=O)Nc1nc(C2CC2)cs1 44825404 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C=CC1CCN(Cc2cnc(C)s2)CC1 111259959 AAWVMAVYPBKJQH-UHFFFAOYSA-N 222.357 2.850 30 20 BFED N#Cc1cc(F)ccc1NC[C@H]1CCCOC1 113317332 SZPKTNDZLOFJJS-SNVBAGLBSA-N 234.274 2.536 30 20 BFED C=C(C)CN(CC)C(=O)C1(CCOC)CCC1 119728576 GTHLTOYLDXRKEI-UHFFFAOYSA-N 239.359 2.618 30 20 BFED CCCN(CC#N)CCc1ccccc1F 121344352 UPWZZUQHBRSLPZ-UHFFFAOYSA-N 220.291 2.604 30 20 BFED CSCCCCC(=O)N[C@H](C#N)C(C)(C)C 122235231 MOXQGEZXNVQVEF-SNVBAGLBSA-N 242.388 2.574 30 20 BFED C=CCN(Cc1cccs1)C(=O)[C@@H]1C[C@H]1C 126358023 FJPBPWSRDFHZRJ-ZYHUDNBSSA-N 235.352 2.919 30 20 BFED CCCCCCCCCn1cccnc1=O 128271545 TZTOGSYCWIJXFV-UHFFFAOYSA-N 222.332 2.994 30 20 BFED CC(C)(C#N)CCNC(C)(C)c1nccs1 131879736 MMXRXOJQFWOJSP-UHFFFAOYSA-N 237.372 2.908 30 20 BFED C=CCCN1CCO[C@H](c2ccccc2F)C1 132773541 SPQUJGISYHLVEV-AWEZNQCLSA-N 235.302 2.775 30 20 BFED N#Cc1cccnc1N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 155300418 JQAZAIWIOXQQRZ-QLFBSQMISA-N 247.301 2.703 30 20 BFED C=C(C)CNC(=O)N1CC[C@@H](CC(C)C)C1 156259222 KDMALNOBVZLZLS-LBPRGKRZSA-N 224.348 2.640 30 20 BFED Cc1cscc1CNC(=O)C1(C#N)CC(C)C1 157011925 OUOFKKVNBXKZGQ-UHFFFAOYSA-N 248.351 2.613 30 20 BFED N#CCC(=O)Nc1ccc(Cl)c2cccnc12 158618629 PALJHZRCWDBFNM-UHFFFAOYSA-N 245.669 2.740 30 20 BFED C#C[C@@H](C)NC(=O)c1ccc(C(C)C)cc1 165259743 XRQHGNYKEUHAJA-LLVKDONJSA-N 215.296 2.562 30 20 BFED C#C[C@H](C)N[C@@H](CC)Cc1ccccc1 166416922 BUVUPLAGNCSRPT-JSGCOSHPSA-N 201.313 2.619 30 20 BFED Cc1cc(O)nc(/C=C/c2ccc(C#N)cc2)n1 167494803 HFDCBVMRQLVNJX-VOTSOKGWSA-N 237.262 2.533 30 20 BFED C=C(Cl)CN[C@H](C)Cc1ccc(O)cc1 167726147 PZEIRXMUXWVIDZ-SNVBAGLBSA-N 225.719 2.665 30 20 BFED C[C@H](C#N)CN(C)c1nccc2ccccc12 168628924 KLIDBSNQNHFZPU-LLVKDONJSA-N 225.295 2.831 30 20 BFED CC#CCNC1(c2noc(C(C)C)n2)CCCC1 173700376 YKLHFWMVNXIEON-UHFFFAOYSA-N 247.342 2.575 30 20 BFED C#CCSCCNCc1ccc2c(c1)CCC2 173840026 LGHOEQWOIZVFNN-UHFFFAOYSA-N 245.391 2.631 30 20 BFED C#CCCCNC(=O)Nc1ccc2[nH]ccc2c1 175840211 RCLFIWJYPSJXHE-UHFFFAOYSA-N 241.294 2.703 30 20 BFED Cc1cc(C)c(C(=O)O[C@H]2CC[C@@H](C#N)C2)o1 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C#Cc1cccc(N[C@@H]2CCN3CCC[C@H]3C2)c1 250667838 SOKRNDPEZXHQBX-CVEARBPZSA-N 240.350 2.707 30 20 BFED C=CCC[C@H](CCC)N[C@@H](CCC)C(=O)O 263431686 SINXKJJUUIHLEK-RYUDHWBXSA-N 227.348 2.964 30 20 BFED C[C@@H](c1ccc(C#N)cc1)N(C)CCCCCO 263779340 OMWKCHRTMLIKQN-ZDUSSCGKSA-N 246.354 2.714 30 20 BFED C=CCCO[C@@H](C)c1nc(-c2cccnc2)no1 264609713 JULOXMRGHWPUND-JTQLQIEISA-N 245.282 2.785 30 20 BFED N#Cc1ccc(SCCCCCCO)nc1 267390860 MFLWBCHTCHSTEF-UHFFFAOYSA-N 236.340 2.598 30 20 BFED CC(=O)[C@H](C)SCc1ccc(F)c(C#N)c1 268289064 XFOYLTGXDFDFNP-VIFPVBQESA-N 237.299 2.908 30 20 BFED C=CCCNc1ccccc1O[C@@H]1CCOC1 268307428 ANPYAQVZDJLJJN-GFCCVEGCSA-N 233.311 2.842 30 20 BFED C#CCCN(C)CCOc1ccccc1Cl 270675606 XXDRPVUXXUQVCW-UHFFFAOYSA-N 237.730 2.674 30 20 BFED Cc1ccoc1C(=O)N[C@](C)(C#N)C(C)(C)C 272456229 XKAOCHBDOJJGAF-CYBMUJFWSA-N 234.299 2.646 30 20 BFED C=CCCN(C)C(=O)N(C)Cc1ccccc1 276200936 YRORCLKIQHFIBF-UHFFFAOYSA-N 232.327 2.746 30 20 BFED CC#CC(=O)N[C@@H](C)c1cc(C)cc(C)c1 277826239 XHGVXCVGCSKRFQ-LBPRGKRZSA-N 215.296 2.504 30 20 BFED CC(C)(C#N)CC(=O)N[C@@H]1CCCc2occc21 278804565 YCLDTFJHGUEMOF-LLVKDONJSA-N 246.310 2.713 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CNc1ccnc(C)c1 280707007 HHXSVQKBIFKRAZ-OCCSQVGLSA-N 232.327 2.783 30 20 BFED C#CCN(C)C(=O)Nc1cccc2c1CCCC2 282557828 UVVBQJUNPKWCLX-UHFFFAOYSA-N 242.322 2.662 30 20 BFED CN(CC#N)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 287481877 SIIJBKRYRGCFTP-UONOGXRCSA-N 244.338 2.688 30 20 BFED C=CCCCCNC(=O)NOC[C@@H](C)CC 292346492 PLZQEYJCCMITQB-NSHDSACASA-N 228.336 2.620 30 20 BFED N#CCCCc1nc(CC2CCCC2)no1 293368348 OUPRFIMYQKJSLU-UHFFFAOYSA-N 219.288 2.649 30 20 BFED Cc1sccc1CN(C)C[C@@H](C)C#N 295066765 ALMOZBXDEMXCOR-VIFPVBQESA-N 208.330 2.648 30 20 BFED C=CC[C@H](CC)NC(=O)NCCC(C)(F)F 296976739 RBNCDTDDPDTICZ-VIFPVBQESA-N 234.290 2.686 30 20 BFED C[C@@H](c1cccs1)N(C)CCO[C@H](C)C#N 304260131 SWNIOGSNTTUOGV-MNOVXSKESA-N 238.356 2.670 30 20 BFED CC[C@](C)(C#N)C(=O)N1CCC2(CCCC2)C1 306054097 QKCCRYPGLLQDBK-CYBMUJFWSA-N 234.343 2.719 30 20 BFED N#C[C@@H]1CC[C@H](NCc2cccs2)C1 306278457 QBOAAUJGMNHUQV-ZJUUUORDSA-N 206.314 2.530 30 20 BFED CO[C@H](C)[C@@H](C)Nc1cc(C)cc(C#N)c1 308099693 DDMJAUNGIYKNDF-GHMZBOCLSA-N 218.300 2.702 30 20 BFED C=C(Cl)CNC(=O)C(C)(CC)CC 308307283 PBZAWQUCQWHAGL-UHFFFAOYSA-N 203.713 2.681 30 20 BFED Cc1nc(NCC(F)(F)F)c(Cl)cc1C#N 309277197 SHJKJGXVFAJADP-UHFFFAOYSA-N 249.623 2.889 30 20 BFED C=CCC[C@H](NC[C@H](OC)C(C)C)C1CC1 309576795 PETQYNWGWABPEX-KBPBESRZSA-N 225.376 2.992 30 20 BFED CCC#C[C@H](C)N[C@@H](CC)C1CCOCC1 309790258 PARJDGMIQQKFPW-JSGCOSHPSA-N 223.360 2.583 30 20 BFED COc1ccc(C#N)cc1NC[C@H]1C[C@H]1C 309910201 MFLXJYQDFYATJV-MWLCHTKSSA-N 216.284 2.635 30 20 BFED CC1(CNc2cc(C#N)ncn2)CCCCC1 310082852 KSFIJZCAVILEQS-UHFFFAOYSA-N 230.315 2.731 30 20 BFED C=CCC[C@H](CO)N[C@@H](CC)Cc1ccccc1 320672978 SPHAFTLKEWTKQP-JKSUJKDBSA-N 247.382 2.924 30 20 BFED CC(C)c1ncc(N=C(O)C2=CCOCC2)cn1 330834021 JXGFBHFAUWSDEU-UHFFFAOYSA-N 247.298 2.535 30 20 BFED CC(C)c1ncsc1/C(O)=N/CCCC#N 331347660 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20 BFED C=CCCC1(c2nc([C@@H]3CCCOC3)no2)CC1 347136256 GACLQMFUBURABH-LLVKDONJSA-N 248.326 2.961 30 20 BFED C=C(C)Cn1c(C)nnc1N(CC)CCCC 359231258 OCPJSPHURDPBIO-UHFFFAOYSA-N 236.363 2.789 30 20 BFED CC(C)CN(C)C(=O)[C@@H](C)c1cccc(C#N)c1 360000777 MCDOOAKUACHHPW-LBPRGKRZSA-N 244.338 2.776 30 20 BFED CC[C@]1(C)CCCN(C(=O)CCCC#N)C1 360329913 VNSBKZJRYZLADF-CYBMUJFWSA-N 222.332 2.719 30 20 BFED CC#CCCNCc1cccc(OC(F)F)c1 360968677 LOJNYONWLLCRFM-UHFFFAOYSA-N 239.265 2.791 30 20 BFED CC#CCCNC(=O)NC1[C@H](C)CCC[C@H]1C 361496498 LKORVRRRLOHLOC-VXGBXAGGSA-N 236.359 2.524 30 20 BFED CC(C)OC(C)(C)C(=O)Nc1cccc(C#N)c1 383967328 DSGMDMHCBONTIE-UHFFFAOYSA-N 246.310 2.700 30 20 BFED C=CC(C)(C)CNc1cccc(C#N)n1 384955327 MJHQPTSTHGWTRI-UHFFFAOYSA-N 201.273 2.577 30 20 BFED N#Cc1ccc(OCCN2C3CCC2CC3)cc1 398927728 SXOOBBNQDZJESC-UHFFFAOYSA-N 242.322 2.564 30 20 BFED N#Cc1cncc(NC(C2CCC2)C2CCC2)n1 401375205 JHWHBAMETDUXRP-UHFFFAOYSA-N 242.326 2.729 30 20 BFED N#Cc1cc(-c2c(F)cccc2Cl)ncn1 409436564 JGHLHVYNNSMBJK-UHFFFAOYSA-N 233.633 2.808 30 20 BFED CC(C)CCNc1ncc(C#N)cc1F 413024683 NPRFCYHQMNPZFC-UHFFFAOYSA-N 207.252 2.550 30 20 BFED COc1ccc(OCC2(C#N)CCC2)cc1F 418857682 STHTXWXNPJDMCB-UHFFFAOYSA-N 235.258 2.907 30 20 BFED N#C[C@H]1CC[C@H](NCCCc2ccccc2)C1 442658802 XRLBKKVTKRHQPA-GJZGRUSLSA-N 228.339 2.901 30 20 BFED CC[C@]1(O)CCN(CCCCC(C)(C)C#N)C1 444674043 JNRAWPBBWQZFDJ-AWEZNQCLSA-N 238.375 2.553 30 20 BFED C=CC[C@H]1N(CCC(=O)OC)CCCC1(C)C 444774512 JIENXMAVBXSLTC-GFCCVEGCSA-N 239.359 2.616 30 20 BFED C=CCC1(C(=O)Nc2cn[nH]c2)CCCCC1 448691348 QYBGEQYQHNPJIV-UHFFFAOYSA-N 233.315 2.875 30 20 BFED CCC[C@@H]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CC#N 448909600 IGZZHCGRBCGYCL-XQQFMLRXSA-N 236.359 2.963 30 20 BFED CN(CC1(C#N)CCC1)C(C1CC1)C1CC1 450326682 ZBRIYSHEYYSFAB-UHFFFAOYSA-N 218.344 2.801 30 20 BFED N#CCCCN1CCOC[C@@H]1c1ccc(F)cc1 451798724 MLTHHCGDRAXYHO-CQSZACIVSA-N 248.301 2.503 30 20 BFED C=C(C)CCNC(=O)[C@H]1CCC[C@H]1CC 452740052 MXCQMFRUFSEXSS-NEPJUHHUSA-N 209.333 2.895 30 20 BFED C=C(CC)CNC(=O)C[C@H]1CCC[C@H](OC)C1 456814094 STHJMVXWGFOJJZ-STQMWFEESA-N 239.359 2.664 30 20 BFED CC#CCCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C 457699777 XAXZDTPAUXHITK-WFASDCNBSA-N 235.371 2.978 30 20 BFED C=C(C)CN(C)C(=O)c1ccc(OC(C)C)nc1 479246816 POFRKJCDSDZAIP-UHFFFAOYSA-N 248.326 2.517 30 20 BFED CC(=O)[C@H](C)SCc1cccc(F)c1C#N 488265926 OQRHWXZFGFJNQA-VIFPVBQESA-N 237.299 2.908 30 20 BFED C#C[C@H](NC(=O)C[C@@H]1CCC[C@H]1C)C(C)C 490631261 UMTSPHZOSZUTQV-AGIUHOORSA-N 221.344 2.587 30 20 BFED C#C[C@@H](NC(=O)CSCCC(C)C)C(C)C 490635864 JKCVOKRJLSVUDD-GFCCVEGCSA-N 241.400 2.540 30 20 BFED C#CC(C)(C)NC(=O)Nc1cc(C)ccc1F 490720032 PPTVDSXXAGWYKD-UHFFFAOYSA-N 234.274 2.667 30 20 BFED C#C[C@@H](CC)NC(=O)CCc1ccc(CC)cc1 491288842 VNLMBDMLGFTANZ-HNNXBMFYSA-N 243.350 2.710 30 20 BFED C#C[C@H](C)N(C)C(=O)[C@H]1CCC(C)=C(C)C1 491787975 YKLWMERFLUNGJQ-STQMWFEESA-N 219.328 2.603 30 20 BFED C#C[C@H](C)N(C)C(=O)Cc1c(C)cc(C)cc1C 491812448 HOCZUHOTYUYZTJ-AWEZNQCLSA-N 243.350 2.634 30 20 BFED C=CCCCC[C@@H](C)N[C@H](CC)C(=O)O 516550265 DDPOYBPWSUUWCQ-GHMZBOCLSA-N 213.321 2.574 30 20 BFED CC(C)[C@H](C)N(C(=O)NCC1(C#N)CC1)C1CC1 519375186 PTYRFXKDYPIBRS-NSHDSACASA-N 249.358 2.509 30 20 BFED C=CC(C)(C)CCN[C@H]1CCN(C)C[C@@H]1C 527927058 QYVMUGHDMGGTQL-STQMWFEESA-N 224.392 2.519 30 20 BFED CCC(C#N)(CC)C(=O)Nc1ccc(O)c(C)c1 528873206 ATMJVWIQQLRFHM-UHFFFAOYSA-N 246.310 2.969 30 20 BFED C=CC[C@@H](CC)NC(=O)c1conc1C(C)C 529252264 GBGZIZVORSPFGL-SNVBAGLBSA-N 236.315 2.883 30 20 BFED C=CCN(C(=O)N[C@H]1CC[C@H](C)CC1)C1CC1 540110778 KTOPZUOMZPZCPC-HAQNSBGRSA-N 236.359 2.925 30 20 BFED Cc1cc(NC[C@H](C#N)CCC#N)cc(C)c1O 564868160 NRWZEZCLPXRGPC-LBPRGKRZSA-N 243.310 2.865 30 20 BFED C=C(C)C[C@@H](C)C(=O)Nc1ccc(CN)cc1 566408324 XEMINTFTJOXSDP-LLVKDONJSA-N 232.327 2.686 30 20 BFED C=CCCC[C@@H](C)N1CCC[C@H](C(=O)O)C1 571649374 OUIHLWFBUVQVRY-NEPJUHHUSA-N 225.332 2.528 30 20 BFED C=CCN1C[C@H](C2CCCCC2)C[C@H]1C(=O)O 577296719 LOELIRBGJCUCGB-OLZOCXBDSA-N 237.343 2.528 30 20 BFED CC(C)C[C@H](C#N)NC(=O)[C@]1(C)CCC[C@H]1C 590987777 CPQVVVDCMDKLRF-YRGRVCCFSA-N 236.359 2.867 30 20 BFED N#C[C@@H]1CC[C@@H](N2CCC[C@H](OC3CCC3)C2)C1 594027561 WIPUHQDRZAPVBN-NFAWXSAZSA-N 248.370 2.712 30 20 BFED CC[C@@H](C#N)N(C)C(=O)C1(C(F)F)CCCC1 594093136 ZAKWLGMFUCKUQM-VIFPVBQESA-N 244.285 2.572 30 20 BFED C[C@@H]1CCN([C@@H](C#N)c2ccccc2)[C@@H]1C 595349175 ZUAQQMABURPXOZ-BZPMIXESSA-N 214.312 2.982 30 20 BFED CCOC[C@@H](N[C@@H](C#N)c1ccccc1)C(C)C 595484032 WVCFSFHXEXETSH-LSDHHAIUSA-N 246.354 2.902 30 20 BFED Cc1ccc(C#N)nc1N(C)CCOC(C)(C)C 596166876 YWMDTMYVRRTXNG-UHFFFAOYSA-N 247.342 2.513 30 20 BFED C[C@H]1CCC[C@H](CCn2ccc(C#N)cc2=O)C1 596328199 JSFCRXAZPHVQJR-QWHCGFSZSA-N 244.338 2.936 30 20 BFED Cc1cc(C)c(C#N)c(NC(=O)C2CCCC2)n1 598852463 BNZBPBMGAFXCNW-UHFFFAOYSA-N 243.310 2.699 30 20 BFED C[C@]1(C#N)CCCN(c2nc(C3CC3)ns2)C1 612107277 OONBMVYLMWIVBS-GFCCVEGCSA-N 248.355 2.546 30 20 BFED CCC(CC)[C@H](C)C(=O)N1CC[C@](F)(C#N)C1 615580982 FBIRZEWURWSXEM-GWCFXTLKSA-N 240.322 2.523 30 20 BFED CC#CCCCC(=O)N(CC)[C@@H](C)CC 616977606 IBTDBKPGZJYCOX-LBPRGKRZSA-N 209.333 2.827 30 20 BFED C=CCCNC(=O)C[C@@H](C)c1ccccc1OC 617615417 LCVANMARAHROEQ-GFCCVEGCSA-N 247.338 2.881 30 20 BFED C=CCCNC(=O)c1ccccc1OC1CC1 617618409 OEHQCRQCSOOVIP-UHFFFAOYSA-N 231.295 2.534 30 20 BFED C=CCCC(C)(C)NC(=O)CCc1cccnc1 620864168 SWMYQOSTLMTNEI-UHFFFAOYSA-N 246.354 2.875 30 20 BFED C=CCCC(=O)NCC(C)(C)c1ccc(C)cn1 628720569 HGATWCLUMAYUJA-UHFFFAOYSA-N 246.354 2.750 30 20 BFED C=CC(C)(C)CNC(=O)NCc1ccc(C)o1 633281225 SKXJNNWWUUASGI-UHFFFAOYSA-N 236.315 2.599 30 20 BFED C=C[C@H](C)N[C@@H](c1nc[nH]n1)C1CCCCC1 638750367 SSRUGOARIZNDJX-CMPLNLGQSA-N 234.347 2.590 30 20 BFED CCC#C[C@@H](C)N1CCC2(CC1)CC2(F)F 649774253 ZNCVFVDWDTWKDV-LLVKDONJSA-N 227.298 2.910 30 20 BFED C=CC(C)(C)C(=O)N1CCC2(CC1)CC2(F)F 650608648 KRKJNGPKRJPIRI-UHFFFAOYSA-N 243.297 2.846 30 20 BFED C=CCCNCc1cc2ccncc2s1 657584178 ZWLQIBVDEPRKOQ-UHFFFAOYSA-N 218.325 2.962 30 20 BFED CC1CC(C#N)(C(=O)N2CC(C)(C)C2(C)C)C1 690301109 PHUUWGOSVHSJJF-UHFFFAOYSA-N 234.343 2.573 30 20 BFED C#CCCCCC(=O)N1C[C@H](C)S[C@@H](C)C1 692919347 HRBZEICPFIVLIN-RYUDHWBXSA-N 239.384 2.532 30 20 BFED CC(=NNc1cnccn1)c1cc(C)cc(C)c1 730433521 PCMRSHHFMZXOOJ-UHFFFAOYSA-N 240.310 2.930 30 20 BFED CC(=NNc1ccc(F)cn1)c1ccc(O)cc1 731318734 LNRNFNKATZOBPU-UHFFFAOYSA-N 245.257 2.762 30 20 BFED C=C(Cl)CN1CC(C)(C)OCC1(C)C 734638518 JPRSNFRVKHRDEQ-UHFFFAOYSA-N 217.740 2.628 30 20 BFED C=CCCOC(=O)[C@H](CC)Nc1ccccc1 740249355 WMCQREHKIHQICB-ZDUSSCGKSA-N 233.311 2.996 30 20 BFED C#CCN(CCOCC1CC1)C1CCCCC1 741780061 HIZQOQJBBOBBLM-UHFFFAOYSA-N 235.371 2.681 30 20 BFED C#CCCCNC(=O)C[C@@H]1CCC[C@@H](C)C1 742788304 POWJGAAJXRYFTK-CHWSQXEVSA-N 221.344 2.732 30 20 BFED Oc1cccc2c1CCCC2=NNC1CCCC1 743437694 FTCVCFQQFDWLTP-UHFFFAOYSA-N 244.338 2.965 30 20 BFED C#CCOc1cccc(OC(=O)CC2CCC2)c1 744115301 HFXODGKHHAKVQP-UHFFFAOYSA-N 244.290 2.794 30 20 BFED CCON=Cc1c[nH]c2ccc(F)cc12 747047275 ULPCYAHGDFVRIQ-UHFFFAOYSA-N 206.220 2.677 30 20 BFED COc1cccc(C=NOCC(C)C)c1OC 754276911 UNRHAUXYHIZYNR-UHFFFAOYSA-N 237.299 2.710 30 20 BFED FC(F)(F)c1ccccc1ON=C1CCOC1 754708710 CHNZWZNHZVJVBF-UHFFFAOYSA-N 245.200 2.861 30 20 BFED CCCCC=NNc1ncccc1[N+](=O)[O-] 755770234 WSBLPCNDYCXCLK-UHFFFAOYSA-N 222.248 2.578 30 20 BFED C=C[C@H](C)NC(=S)Nc1ccccc1F 756799396 UVAPWDNQIUPWNJ-QMMMGPOBSA-N 224.304 2.687 30 20 BFED CC(=NNC1CC1)c1ccc(OC(F)F)cc1 758132433 FJIXBBOPXXOSDL-UHFFFAOYSA-N 240.253 2.764 30 20 BFED C#CCCN1CC[C@H](C)[C@@H]2CCCC[C@@H]21 760816951 XUYWPDLRCITXIR-IHRRRGAJSA-N 205.345 2.910 30 20 BFED CC(=NNc1cnn(C)c1)c1cc(C)cc(C)c1 761882027 WPTLIAZTHRRDNI-UHFFFAOYSA-N 242.326 2.873 30 20 BFED CC(C)CON=Cc1ccn(-c2ccccc2)n1 766713635 COGNVBRJPHJALD-UHFFFAOYSA-N 243.310 2.879 30 20 BFED C#CCCCCCC(=O)Nc1cccc(F)n1 767180875 BYECBLGMTDVMNC-UHFFFAOYSA-N 234.274 2.743 30 20 BFED C#CCN(CC#CC)Cc1ccc(F)c(C)c1 769451287 KPGZFJCCYTXANP-UHFFFAOYSA-N 229.298 2.593 30 20 BFED Fc1ccccc1NN=C1CCCOCC1 770596120 LNUZBGQTHZRMNG-UHFFFAOYSA-N 222.263 2.794 30 20 BFED C[C@H](C#N)COC(=O)c1cc2occc2s1 770932261 XEMNGHKFFKSQAC-SSDOTTSWSA-N 235.264 2.811 30 20 BFED C[C@H](C#N)CNN=Cc1csc2ccccc12 771095515 BAEGKKOMDOUFIT-SNVBAGLBSA-N 243.335 2.984 30 20 BFED C[C@@H](C#N)CNN=C[C@H](C)CCc1ccccc1 771104885 WKPDNMJLGIQHOW-KGLIPLIRSA-N 243.354 2.990 30 20 BFED CCC[C@H](C)C(CC)=NNC[C@H](C)C#N 771106520 FMMTZERNVJERLQ-MNOVXSKESA-N 209.337 2.938 30 20 BFED CC(=NNCC(C)C)c1ccc(Cl)cn1 774396975 UEHRZOJZLIOLKN-UHFFFAOYSA-N 225.723 2.705 30 20 BFED CCC(=NN[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1 774593867 SURRJWSRDGVJJX-XHVZSJERSA-N 206.333 2.941 30 20 BFED C=C1CCN(C(=O)[C@H](F)Cc2ccccc2)CC1 778263818 UIPAFYCUBCQEDX-CQSZACIVSA-N 247.313 2.746 30 20 BFED C[C@@H]1CC(C)(C)CCC1=NN[C@H]1CCCOC1 780260717 CLHYXXLKXZYWTL-NEPJUHHUSA-N 238.375 2.957 30 20 BFED Cc1cccc(F)c1CNC(=O)CC(C)(C)C#N 783826019 AMYDIUWHUGQZMI-UHFFFAOYSA-N 248.301 2.690 30 20 BFED CC(C)[C@@H](F)C(=O)OCc1ccc(CC#N)cc1 784143264 AWNODBZPHCSVMJ-CYBMUJFWSA-N 249.285 2.790 30 20 BFED C#CCCCNc1cccc(CCC(=O)OC)c1 786117099 GVZURKSCEIVIPI-UHFFFAOYSA-N 245.322 2.618 30 20 BFED C#CCC1(c2nc(C)no2)CCCCC1 788100378 BDUVIWJRSOLTEX-UHFFFAOYSA-N 204.273 2.603 30 20 BFED C#C[C@@H](C)NC(=O)Nc1cccc(SC)c1 789830706 BQUVTFQWOGETMZ-SECBINFHSA-N 234.324 2.552 30 20 BFED CC[C@H](C)NN=C(C)c1nc2ccccc2n1C 790183826 ORBSNBCZNRWLJI-JTQLQIEISA-N 244.342 2.685 30 20 BFED CC[C@H](C)NN=C/C=C\c1ccccc1[N+](=O)[O-] 790183953 PVDWCSVEZHXDDY-SUGADJTLSA-N 247.298 2.982 30 20 BFED CC#CCCCC(=O)OCc1cc(C)ccn1 791450017 WRSWBTLDXAXISF-UHFFFAOYSA-N 231.295 2.627 30 20 BFED CC1(C)CCCC1=NNc1ncncc1F 793214998 VCKUHSFFMFZJLW-UHFFFAOYSA-N 222.267 2.594 30 20 BFED COCCCON=CC(C(C)C)C(C)C 795042726 WCHKCDCYLSVKJU-UHFFFAOYSA-N 215.337 2.954 30 20 BFED C[C@@H](C#N)CNC(=O)/C(F)=C\C1CCCCC1 798172466 IISKIMOAORGEDK-QVIVLVACSA-N 238.306 2.696 30 20 BFED C#C[C@H](NC(=O)/C=C(/C)c1ccccc1)C(C)C 799048649 SEXDUDJBOBUFJW-HVCHUGMYSA-N 241.334 2.864 30 20 BFED CC(Cc1ccccc1C)=NNCC(C)(C)CO 799115112 RZRMDJLYWBUELD-UHFFFAOYSA-N 248.370 2.522 30 20 BFED CC[C@H](C)NN=C1CCCC12CCOCC2 799886722 ZHOSAACQZJUQHD-NSHDSACASA-N 224.348 2.711 30 20 BFED CC(C)=C[C@@H]1[C@H](C(=O)O[C@H](C)C#N)C1(C)C 805779680 AWBBJVGLKICMMW-GMTAPVOTSA-N 221.300 2.680 30 20 BFED CC(=NOC1CCC1)c1ccccc1[N+](=O)[O-] 812235747 AMFBMKGRAMVNFN-UHFFFAOYSA-N 234.255 2.888 30 20 BFED CCOCSc1nc2c(c(C)c1C#N)CCC2 814730826 GORRSUWPSLDNKL-UHFFFAOYSA-N 248.351 2.837 30 20 BFED CCC(CC)NN=C1CC[C@@H](C(=O)O)C[C@@H]1C 814851802 VNKBJSVKWDJDOY-VHSXEESVSA-N 240.347 2.641 30 20 BFED C=CCC(F)(F)C(=O)N(C)C(C1CC1)C1CC1 815155427 PJKJJNTVOVCFRC-UHFFFAOYSA-N 243.297 2.845 30 20 BFED C#CCOCCN[C@H](C)c1cccc(C2CC2)c1 815615583 SEJIZDFRFHMPCJ-CYBMUJFWSA-N 243.350 2.864 30 20 BFED CCC(=NN[C@H](C)c1ccncc1)[C@H]1CCOC1 819816260 IBVNSCFKWPRDDL-YPMHNXCESA-N 247.342 2.535 30 20 BFED C=CCN(CCC#N)C(=O)C[C@@H](C=C)CC 820224793 XZBFJIRRGYVLRM-LBPRGKRZSA-N 220.316 2.517 30 20 BFED C#CCN(C)C(=O)[C@H](CC)Cc1cccc(C)c1 822371084 VHTPNMDOADVJGI-OAHLLOKOSA-N 243.350 2.655 30 20 BFED C=C(C)CN[C@](CC)(C(=O)O)c1ccccc1 825641985 CEHFKBLNQSBZLH-AWEZNQCLSA-N 233.311 2.542 30 20 BFED C#CC1CCN(Cc2ccc(C#N)cc2F)CC1 830305269 KCUKBUXBMPYVPP-UHFFFAOYSA-N 242.297 2.543 30 20 BFED COc1cc(C)ccc1C=NOC1CCOCC1 834968643 GFRFSCVMYGYACF-UHFFFAOYSA-N 249.310 2.533 30 20 BFED Cc1cnc(C=NN[C@H]2CCCCC2(C)C)o1 834978461 TYXWYJYNDDZUBK-NSHDSACASA-N 235.331 2.875 30 20 BFED CCn1cccc1C=NN[C@H](C)C(C)(C)C 834980969 FXGNHZZUDXSEJZ-LLVKDONJSA-N 221.348 2.866 30 20 BFED C[C@@H]1C[C@@H]1C=NNc1ccc(C(=O)O)c(F)c1 835010054 MQUDIFUXLCSCSR-HTQZYQBOSA-N 236.246 2.578 30 20 BFED C=CC(C)(C)C(=O)OCCc1ccc(CC)cn1 835306836 JLTFHASSLKSMBN-UHFFFAOYSA-N 247.338 2.942 30 20 BFED C=C[C@@](C)(CC)COC(=O)[C@@H]1CC1(F)F 835337983 YIACOOHEFIIEPA-WPRPVWTQSA-N 218.243 2.787 30 20 BFED C#CCSCCOC(=O)C1=CC[C@H](C)CC1 835438028 XESAKQYHCQVGQA-NSHDSACASA-N 238.352 2.642 30 20 BFED C=C[C@](C)(CC)C(=O)OCCc1cscn1 837659405 UIQVFBLUFHVVGY-GFCCVEGCSA-N 239.340 2.831 30 20 BFED C#CCCCCNC(=O)N[C@@H]1C[C@]1(C)C(C)C 838513852 LCGZUHQMFNRALC-TZMCWYRMSA-N 236.359 2.524 30 20 BFED C#CCN(C)[C@@H]1CCC[C@@H]1c1ccccc1 839168542 CDRVWQKPIMMVJJ-HUUCEWRRSA-N 213.324 2.888 30 20 BFED CC[C@@H](C=NN(C)C(=S)NC)c1ccccc1 841646446 ISHGJEKNOQTJSD-NSHDSACASA-N 249.383 2.602 30 20 BFED C=CCCn1ccnc1[C@H](O)c1cccs1 842054135 HRFBALCYCJIYCK-LLVKDONJSA-N 234.324 2.602 30 20 BFED C=C[C@@H](OC(=O)Cc1cncs1)C(C)(C)C 842349742 NKHMHFHOURMUJM-SNVBAGLBSA-N 239.340 2.830 30 20 BFED CCCC(Cc1ccccc1)=NN(CC)CCO 842534676 CRTPZNOOSNMPHN-UHFFFAOYSA-N 248.370 2.699 30 20 BFED CCCON=C1CCN(c2nccs2)CC1 842555191 ABRJYEULADNBHN-UHFFFAOYSA-N 239.344 2.526 30 20 BFED C[C@@H]1CCCCCC1=NNc1ncncc1F 844598739 SUKUIMZZKNZTDI-SECBINFHSA-N 236.294 2.984 30 20 BFED C=C(C)CONC(=O)N[C@H]1CCCCC1(C)C 845600581 DATBQQWIXIRAHE-NSHDSACASA-N 240.347 2.762 30 20 BFED C=C[C@H](C)ONC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 846542820 CUMANAZTNALTOV-TVYUQYBPSA-N 249.285 2.552 30 20 BFED CC(C)(C#N)CCCCOC(=O)CCCF 850195241 ZEVPLVFQUFOQOK-UHFFFAOYSA-N 229.295 2.999 30 20 BFED CC(C)SCC(=O)O[C@@H](C)CC(C)(C)C#N 851211336 FHQASDCIYFLUGY-JTQLQIEISA-N 243.372 3.000 30 20 BFED C=CC(C)(C)CCOC(=O)[C@H]1C[C@]12CCOC2 851299833 ANDGKKDLKXZEJM-RISCZKNCSA-N 238.327 2.559 30 20 BFED CC(C)(C)CCNN=Cc1ccnn1CC1CC1 853332545 KEXSRQZUYCWDFH-UHFFFAOYSA-N 248.374 2.653 30 20 BFED CCSCCC=NN1CCCC[C@@H]1C 853379188 GZRBJTMWEPIYTB-NSHDSACASA-N 214.378 2.990 30 20 BFED CC[C@H](C)[C@@H](C=NOCC1CCC1)OC 853441216 UMULAXVVCACXPM-CMPLNLGQSA-N 213.321 2.850 30 20 BFED C#C[C@H](Nc1nc(C#N)c(Cl)s1)C(C)C 853567048 CXNJVDMAKJPRIO-ZETCQYMHSA-N 239.731 2.738 30 20 BFED C#C[C@@](C)(CC)NC(=O)C=C(C1CC1)C1CC1 854701169 NLGULMQOUIQBSK-HNNXBMFYSA-N 231.339 2.651 30 20 BFED CCCCCCCNC(=O)N=c1cc[nH]cc1 860832823 DTLJKNFYFDKVOR-UHFFFAOYSA-N 235.331 2.595 30 20 BFED Cc1cccc(NN=C2CCC[C@@H]2F)n1 872392975 GDEXXIBAOANQFQ-VIFPVBQESA-N 207.252 2.680 30 20 BFED c1ccc2c(c1)SCCC2=NN1CCC1 872396164 VIXNHHAZHXKYQU-UHFFFAOYSA-N 218.325 2.592 30 20 BFED C#C[C@@H](OC(=O)C1CCC=CCC1)C1CC1 873512232 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773699054 GGTKEFOKAFSGBQ-GJZGRUSLSA-N 235.371 2.538 30 20 BFED CC(C)[C@@]1(C)C[C@H]1C(=O)OCC1(CC#N)CC1 774116163 QVJQNXKHROBMDT-WCQYABFASA-N 235.327 2.906 30 20 BFED CCCc1cccc(C=NNC[C@@H](C)C#N)c1 774393224 IXVHWTVAPPMEEQ-LBPRGKRZSA-N 229.327 2.722 30 20 BFED C#C[C@H](N[C@H](C)c1cccc(F)c1)[C@H]1CCCO1 775572198 PERSRVJQWJBSHP-BYCMXARLSA-N 247.313 2.657 30 20 BFED COC[C@@H](C)NN=Cc1ccc(C(C)C)cc1 777893984 YPNLZNTXQLZSCI-GFCCVEGCSA-N 234.343 2.768 30 20 BFED C#CCCCCCC(=O)Nc1cnccc1C 779904758 LZGWFJAOPGLUKU-UHFFFAOYSA-N 230.311 2.912 30 20 BFED C=C(C)CNC(=S)N1CC[C@H](C(C)(C)C)C1 783772240 IEUSLBOVUFLHGK-NSHDSACASA-N 240.416 2.805 30 20 BFED CC[C@@H]1CCC[C@@H](C=NNC[C@@H](C)C#N)C1 783856709 IXKJYGBPOKTUPH-YNEHKIRRSA-N 221.348 2.938 30 20 BFED CC(C)C(C)(C)C(=O)OCC1(C#N)CCC1 784549763 WHMDSBUMBUXKJX-UHFFFAOYSA-N 223.316 2.906 30 20 BFED CC(=NOC[C@H]1CCOC1)c1cccs1 788033766 MDWVYECQRDWIDS-JTQLQIEISA-N 225.313 2.525 30 20 BFED Cc1cc(F)ccc1C=NOC[C@@H]1CCOC1 788037474 VZVCGLQZOGGIKG-LLVKDONJSA-N 237.274 2.521 30 20 BFED CC[C@@H]1CCC[C@H](C=NN[C@H]2CCOC2)C1 788448745 VDZTYDPJQUPPOF-AGIUHOORSA-N 224.348 2.567 30 20 BFED CC1(C)CCC(=NNCCc2ccccn2)C1 789103033 MNXMTKCEDZUTPM-UHFFFAOYSA-N 231.343 2.780 30 20 BFED CC[C@@H](C)NN=Cc1cccc2c1OCCCO2 790183627 UFLOVKXELRFGFM-LLVKDONJSA-N 248.326 2.570 30 20 BFED CC[C@H](C)NN=Cc1cc(C)c(O)c(C)c1 790187495 BSJLDDAFUQMHRP-NSHDSACASA-N 220.316 2.731 30 20 BFED CC[C@H](C)NN=C(C)c1sccc1O 790187595 GKCGIKNMVOASKC-ZETCQYMHSA-N 212.318 2.566 30 20 BFED CC[C@@H](C)NN=C1CCc2ccccc21 790190102 NNBMELXJLWMDKW-SNVBAGLBSA-N 202.301 2.725 30 20 BFED CC(=NN[C@H](C)C(C)(C)C)[C@@H]1CCCOC1 793111524 ILLZNIJCDDDIAW-VXGBXAGGSA-N 226.364 2.813 30 20 BFED Clc1cccc(NN=CC2CCOCC2)n1 793174048 HPVSMQHEKXNONL-UHFFFAOYSA-N 239.706 2.559 30 20 BFED C(=NO[C@H]1CCCCO1)[C@H]1CCCSC1 794922440 JSAODFVNUCQRHE-MNOVXSKESA-N 229.345 2.659 30 20 BFED C[C@@H]1CCC[C@@H](C=NNc2cncnc2)C1 794973671 XUHCIOIDOPMAGP-GHMZBOCLSA-N 218.304 2.701 30 20 BFED C=C(C)COC(=O)C[C@H]1CCC[C@H](OC)C1 796067292 XWKIHDIQFWWOLR-RYUDHWBXSA-N 226.316 2.701 30 20 BFED C#C[C@H](NC(=O)C=C1CCC(C)CC1)C(C)C 799047930 PPLMZETXDIWTAL-PYMCNQPYSA-N 233.355 2.897 30 20 BFED C#C[C@@H](CC)NC(=O)N[C@H](C)c1ccsc1 801056065 ZCQVIZRXQBYYHP-KOLCDFICSA-N 236.340 2.520 30 20 BFED Cc1cnc(CSCCO[C@H](C)C#N)s1 802753392 ZVXLXJPYJHMUPB-MRVPVSSYSA-N 242.369 2.613 30 20 BFED C#C[C@@H](CCC)NC(=O)N1CCC2(CCC2)CC1 805343027 HQRJWACQXBXAGL-ZDUSSCGKSA-N 248.370 2.764 30 20 BFED C#CCON=C1C[C@@H](C)c2c(C)cccc21 812233507 YQSHBYRZWRVJPP-LLVKDONJSA-N 213.280 2.856 30 20 BFED Clc1ncccc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 814893204 HKQXJNNAJFTPDP-NHCYSSNCSA-N 249.745 2.847 30 20 BFED N#C[C@@H]1CC[C@@H](N2CC[C@@H](C(F)(F)F)C2)C1 815078485 CGBUNLYZFWFZTQ-OPRDCNLKSA-N 232.249 2.563 30 20 BFED C[C@H]1CC/C(=C\C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 819631641 DMOFYILNYJRLMN-SWYZGTMLSA-N 232.327 2.541 30 20 BFED C#C[C@@H](C)NC(=O)N1CCCC12CCCCC2 820423782 WNQDANHXXCENOI-GFCCVEGCSA-N 234.343 2.516 30 20 BFED C#C[C@@H](CCC)NC(=O)N1CCC[C@@H](C)CC1 820636486 WKRGERLIHXEVFT-OLZOCXBDSA-N 236.359 2.620 30 20 BFED C#C[C@H](CCC)NC(=O)N1CC(C)(C)[C@@H]1C1CC1 820661945 YZNLAOFNEDIYKR-OLZOCXBDSA-N 248.370 2.618 30 20 BFED CN(C(=O)C#Cc1cccs1)C1CCCC1 824231029 HSGTZTHQHKGQAY-UHFFFAOYSA-N 233.336 2.501 30 20 BFED CC1(C)CCC[C@@H]1NC(=O)C#Cc1cccs1 826914652 QUGLZZDHULJZRG-LBPRGKRZSA-N 247.363 2.795 30 20 BFED Cc1cc(O)nc(NN=C2C[C@H](C)CC[C@@H]2C)n1 834913353 YALDXFXUMXMHGP-BDAKNGLRSA-N 248.330 2.715 30 20 BFED CO[C@H]1CC(=NNCCC(C)(C)C)C12CCC2 834973836 PJAXXYFIAVUPHM-LBPRGKRZSA-N 238.375 2.957 30 20 BFED C=CCON=C1C[C@H](OC)C1(CC)CC 835013191 KYCGSZBSQXWPCB-NSHDSACASA-N 211.305 2.770 30 20 BFED CC#CCOC(=O)c1ccc(C)nc1C(C)C 835269967 PWXJAPODSYOQDV-UHFFFAOYSA-N 231.295 2.694 30 20 BFED CC#CCCCCOC(=O)Cc1ccc(C)nc1 835310609 KKRJSOGKKDILGN-UHFFFAOYSA-N 245.322 2.669 30 20 BFED C[C@H](CCc1ccco1)NC(=O)C#CC(C)(C)C 837315185 ORDIVDVSZSLMHF-GFCCVEGCSA-N 247.338 2.766 30 20 BFED C=C(Cl)CN[C@H](C(C)C)[C@H](CO)C(C)C 839615404 UJTAKRWCJMVWKT-VXGBXAGGSA-N 233.783 2.618 30 20 BFED N#CCOc1cccc(OC(=O)C=C2CCC2)c1 841344859 ADZBQKBIULNRNH-UHFFFAOYSA-N 243.262 2.605 30 20 BFED C#C[C@@H](OC(=O)[C@@H](C)CC)c1ccccc1 842389475 HBDUHYCHSDDTFG-WCQYABFASA-N 216.280 2.950 30 20 BFED CCCON=Cc1ccc(OCC)c(F)c1 842554500 PZBLEHZEKPVJLH-UHFFFAOYSA-N 225.263 2.985 30 20 BFED C#CC1CCN(C(=O)C=C2CCC(C)CC2)CC1 843707050 KKGMPTGQPQBZJN-UHFFFAOYSA-N 245.366 2.995 30 20 BFED COCC(CC(C)(C)C)=NOCC1CC1 844598575 PYZPUSIHMPYZKR-UHFFFAOYSA-N 213.321 2.852 30 20 BFED C#CCCCOC(=O)[C@](C)(F)CCCC 849847338 VGTDFPSBIVPMDE-GFCCVEGCSA-N 214.280 2.861 30 20 BFED C#C[C@](C)(CC)NC[C@@H]1CC1(Cl)Cl 852097666 UEJCDIQYTAUMTL-DTWKUNHWSA-N 220.143 2.572 30 20 BFED C#C[C@@](C)(CC)NC[C@@H]1CCCCN1C(C)C 852103275 CPRWQMUKWHPZDJ-GJZGRUSLSA-N 236.403 2.641 30 20 BFED C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)C1 852269800 PRNUVVJLSLOELM-UPJWGTAASA-N 249.358 2.510 30 20 BFED CCC(CC)CNN=Cc1ccc(CO)cc1 853335097 HIIGFQVSBBSTNN-UHFFFAOYSA-N 234.343 2.539 30 20 BFED CC[C@H](C)[C@H](C=NN1CCCC[C@@H]1C)OC 853381709 JOPAYNRZQQYMPR-AVGNSLFASA-N 226.364 2.908 30 20 BFED C=C(Cl)COc1ccc(N(C)C)cc1 853693598 RQJLTMWZIMASBI-UHFFFAOYSA-N 211.692 2.884 30 20 BFED C#CCCCCCC(=O)N1CCCC[C@@H]1C(C)=O 854723923 JNFRIBBDBVRMNX-CQSZACIVSA-N 249.354 2.540 30 20 BFED C=CCCC(C)(C)NC(=O)[C@H](O)c1ccccc1 856374057 KRKLVVUPHWZTTI-CYBMUJFWSA-N 247.338 2.581 30 20 BFED C#CCCOC(=O)N[C@@H]1C[C@H]1c1ccc(C)cc1 859202115 LUFXJGRSCOAWRM-UONOGXRCSA-N 243.306 2.600 30 20 BFED C#C[C@@H](CCC)NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 861299078 KMWKLZUMQWINMA-ABHRYQDASA-N 233.355 2.731 30 20 BFED C#CC[C@H](CCOC)N[C@@H]1CC[C@H](C)[C@H](C)C1 862548477 GSBXWPOWUOBEII-GBJTYRQASA-N 237.387 2.829 30 20 BFED C#CCCCNc1cccc(OC)c1C 863359470 NSDPSQDMTWIRPX-UHFFFAOYSA-N 203.285 2.829 30 20 BFED C=CCC[C@@H](C)OC(=O)c1ncc2ccccn12 869697817 AGDCOGVSPNAVCS-LLVKDONJSA-N 244.294 2.846 30 20 BFED N#Cc1cccc2[nH]cc(C=NOCC3CC3)c12 872378978 TUJZTMNUFFPRHN-UHFFFAOYSA-N 239.278 2.800 30 20 BFED C(=NN1CCC1)c1cnc(C2CCCC2)s1 872397635 SYSNYLANLUHXIH-UHFFFAOYSA-N 235.356 2.840 30 20 BFED CCCc1ccc(C=NN2CCC2)s1 872398669 BFVZTIFXUKAEMY-UHFFFAOYSA-N 208.330 2.740 30 20 BFED C=CC(C)(C)CC(=O)NCCc1ccc(O)cc1 878353813 SRWLMDNJWPQFSB-UHFFFAOYSA-N 247.338 2.653 30 20 BFED CC[C@@H](C#N)OC(=O)c1cc(C)cnc1Cl 885111309 IVLOGRRMIZULRG-QMMMGPOBSA-N 238.674 2.502 30 20 BFED C=CCC1(O)CCN(CC/C=C/CC)CC1 886776257 AXGRQESASIQNTR-AATRIKPKSA-N 223.360 2.746 30 20 BFED CN(C(=O)Nc1cc(C#N)ccc1F)C1CCC1 888359293 FLGBQQQQFISNNH-UHFFFAOYSA-N 247.273 2.714 30 20 BFED CCC[C@@H](C)CC(=O)N(CC#N)c1ccccn1 892464744 NDJHCBBLNAUNHA-GFCCVEGCSA-N 245.326 2.764 30 20 BFED C=C(C)C(C)(C)C(=O)O[C@@H](C)Cc1cnccn1 893402964 WLMROTGXHSDUQT-NSHDSACASA-N 248.326 2.553 30 20 BFED N#C[C@@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C2)C1CCCC1 893704526 GICRBVOMRNBRAX-DOERSZECSA-N 246.354 2.621 30 20 BFED C=C1CCC(C(=O)NC[C@@H]2C[C@@H]2C)CC1 895723277 ULLSSPUPFMDWCN-JQWIXIFHSA-N 207.317 2.505 30 20 BFED C=C1CCC(C(=O)NOC[C@H](C)CC)CC1 897828647 VESLRSJWODQXAF-SNVBAGLBSA-N 225.332 2.827 30 20 BFED C[C@H](Cc1cccnc1)N[C@H](C)CC(C)(C)C#N 897967013 JFRTZUDQKVDWJQ-CHWSQXEVSA-N 245.370 2.931 30 20 BFED C=CCC[C@H](CC)N[C@@H](CCC=C)C(=O)O 901691195 ZVSWTPBNDHIXHH-RYUDHWBXSA-N 225.332 2.740 30 20 BFED CCCCN(O)C(=O)C[C@H]1CCC[C@H](OC)C1 904213466 QHYXXIVJRVYVEW-RYUDHWBXSA-N 243.347 2.600 30 20 BFED CCC[C@@H](C)NC(=O)c1ccsc1C#N 905770289 BWIWKGKFHCKSGA-MRVPVSSYSA-N 222.313 2.538 30 20 BFED C=CC[C@H](CC)NC(=O)c1ccc(C)nc1NC 907961845 FULQWFVNEVVICL-NSHDSACASA-N 247.342 2.516 30 20 BFED CN(C[C@H]1CC1(C)C)C(=O)c1ccsc1C#N 912763018 LXPCQTYUZXVFJB-SECBINFHSA-N 248.351 2.738 30 20 BFED N#CC1(CSC2=NCCS2)CCCC1 915588542 UDFANZBCKALCMZ-UHFFFAOYSA-N 226.370 2.906 30 20 BFED C#Cc1ccc(NC(=O)N2C[C@H](C)C[C@H]2C)cc1 934936053 JWUPZSWLEQPBBH-VXGBXAGGSA-N 242.322 2.930 30 20 BFED CC(=NOC(C)(C)C)c1cccc2c1OCO2 1117961196 OZPJMPZRLSSRMQ-UHFFFAOYSA-N 235.283 2.954 30 20 BFED CC[C@H](C#N)N(CC)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 1121161294 PMUXCVVAOHRKEP-XJFOESAGSA-N 246.354 2.739 30 20 BFED C=C(C)CCC(=O)OCCc1ncccc1C 1123056144 KTQRRKJPPRBNRA-UHFFFAOYSA-N 233.311 2.832 30 20 BFED C=C[C@H](C(=O)N1CC[C@H]2C[C@@H]2C1)c1ccccc1 1123834113 XOQAGFBYUAFHAS-ZNMIVQPWSA-N 241.334 2.825 30 20 BFED Cc1cc2cc(N=c3cc[nH]c(C#N)c3)ccc2[nH]1 1213787399 YFCCHVQUXSLYIG-UHFFFAOYSA-N 248.289 2.909 30 20 BFED CN(CC(C)(C)C#N)C(=O)CC(C1CC1)C1CC1 1261248274 BKFCILCUBGXCBN-UHFFFAOYSA-N 248.370 2.821 30 20 BFED C=C[C@H](COC)NCc1cnc2ccccc2c1 1320294660 PLTUSAHQHMVRDT-CQSZACIVSA-N 242.322 2.525 30 20 BFED CC[C@H]1CCCCC1=NNCC1CCOCC1 1320771152 RVDGUVBGGKJLAV-ZDUSSCGKSA-N 238.375 2.959 30 20 BFED COc1cc(C(C)=NOC(C)(C)C)ccn1 1320894311 QYKRGFKQWRVYNT-UHFFFAOYSA-N 222.288 2.629 30 20 BFED C=C(C)CNCc1ccc(-c2cnn(C)c2)cc1 1321836965 SEVKLYQGWCMGNC-UHFFFAOYSA-N 241.338 2.753 30 20 BFED C=CCCO[C@H](C)c1nnc(C2CCC2)o1 1322282479 UHYPEZCBKCHBSH-SECBINFHSA-N 222.288 2.991 30 20 BFED C#CCOc1ccccc1OCC[C@@H]1CCOC1 1326147137 KZJNOKIEZRWSMI-ZDUSSCGKSA-N 246.306 2.504 30 20 BFED Oc1cccc(/C=N/[C@@H]2CCC[C@H](F)C2)c1O 1329465242 HXQNPUZNTYCBEB-SLDKGUOFSA-N 237.274 2.797 30 20 BFED CC[C@@H](C#N)N(C)C(=O)CC(C1CC1)C1CC1 1332862215 NGSZKRLCLPTSNJ-LBPRGKRZSA-N 234.343 2.573 30 20 BFED Cc1cc(C#N)nc(NC[C@@H](C)C2CC2)c1 1334900601 AIAVYYOEVRVQLT-SNVBAGLBSA-N 215.300 2.720 30 20 BFED CN(CC1CCC1)C(=O)c1ccccc1CC#N 1337315009 ALAQODSUKVMDNT-UHFFFAOYSA-N 242.322 2.625 30 20 BFED C=CCN(CCc1ccccc1)C(=O)[C@H]1C[C@H]1F 1338442696 FTDGEUSIVFKBRK-UONOGXRCSA-N 247.313 2.602 30 20 BFED C=C(CC)C(=O)N1CC(C)(C)[C@H]1c1ccncc1 1349890590 IXYPIXCMNNRGTG-CYBMUJFWSA-N 244.338 2.957 30 20 BFED C=C(CCC(=O)O)C(=O)Nc1cc(C)cc(C)c1 1588629277 DZBFTQDMJMUTPF-UHFFFAOYSA-N 247.294 2.663 30 20 BFED C=C[C@@H]1CCCN(Cc2cccc(C(=O)O)c2)C1 1776150368 MTCFXYWAZQBOMR-GFCCVEGCSA-N 245.322 2.783 30 20 BFED C=CCCCN1CCC(CC=C)(C(=O)O)CC1 1776175067 JYSPJYZUFJOSSO-UHFFFAOYSA-N 237.343 2.696 30 20 BFED C=CCNC(=O)Cc1ccc(C(F)(F)F)cc1 34483800 QPODDYIXKQCSNW-UHFFFAOYSA-N 243.228 2.550 30 20 BFED Cc1cc(NC(=O)c2cccc(C#N)c2)sn1 44453950 ARYWDIQVHUVUCL-UHFFFAOYSA-N 243.291 2.576 30 20 BFED CC[C@@H](C)N(C)C(=O)Nc1cccc(C#N)c1 47338057 HTBMLEKLWNXGFZ-SNVBAGLBSA-N 231.299 2.820 30 20 BFED CC[C@@H](C)N(CC#N)Cc1ccccc1 52658577 PZKZYBZVQWCUAN-GFCCVEGCSA-N 202.301 2.811 30 20 BFED Cc1ccc(N(CCC#N)C(=O)C(C)C)cc1 60851779 BCVARDJVYPCNDO-UHFFFAOYSA-N 230.311 2.898 30 20 BFED CCc1ccc([C@H](C)/C(O)=N/c2ncn[nH]2)cc1 68108415 HIMNFJQWNBDEQK-VIFPVBQESA-N 244.298 2.759 30 20 BFED C=C(Br)CN1CCC(C)(C)C1 76014293 CMZIHYOALGRPEH-UHFFFAOYSA-N 218.138 2.627 30 20 BFED C[C@H](CNc1ccc(F)cc1C#N)C[C@@H](C)O 78298969 GIJIOOSVZFXJIT-VHSXEESVSA-N 236.290 2.516 30 20 BFED C=C(C)CN(CC)C(=O)Nc1ccccn1 79718978 MHXXFIKZTLCGIL-UHFFFAOYSA-N 219.288 2.512 30 20 BFED N#Cc1ccc(N[C@@H]2CCCOCC2)cc1 83424464 YHXLDMKKBXFHAJ-GFCCVEGCSA-N 216.284 2.539 30 20 BFED CC(C)N(CCC#N)C(=O)C1C(C)(C)C1(C)C 91491832 ZZVPRDUJBZRCIA-UHFFFAOYSA-N 236.359 2.819 30 20 BFED CC(C)(C)OC(=O)Oc1ccc(C#N)cc1 108640722 PGPYXOOYOWGOHC-UHFFFAOYSA-N 219.240 2.872 30 20 BFED CCCCCCCN(CC(=O)O)CC(C)C 108971387 ZDTVZVOQOHHGQE-UHFFFAOYSA-N 229.364 2.999 30 20 BFED N#CCCCC[S@](=O)c1ccc(F)cc1F 113362232 TXEFCSYAFKULKT-MRXNPFEDSA-N 243.278 2.766 30 20 BFED C=CCS[C@@H](C)C(=O)Nc1ccccc1 114756949 WOASCVKDIMRKDJ-JTQLQIEISA-N 221.325 2.933 30 20 BFED CCc1ccc(/C=C/C(=O)c2cnccn2)cc1 115962893 UOAMLEXSTQZGBC-BQYQJAHWSA-N 238.290 2.935 30 20 BFED CC(C)CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 116800475 WRZAGGDWUSJPEF-DGCLKSJQSA-N 222.332 2.621 30 20 BFED C[C@H]1SCCN(CC#N)[C@@H]1c1ccccc1 118421955 IZVQUGRGJACTSO-YPMHNXCESA-N 232.352 2.689 30 20 BFED C#CCCCCC(=O)Nc1cncc(C)c1 119973300 PBUFAHSIWLHVIX-UHFFFAOYSA-N 216.284 2.522 30 20 BFED CCN(Cc1nc2ccccc2[nH]1)C[C@@H](C)C#N 120515380 UCEWXYAMJYXYKS-NSHDSACASA-N 242.326 2.544 30 20 BFED CC(=O)c1cc(Cl)ccc1OCCC#N 122159015 GECKIRRNELLUTM-UHFFFAOYSA-N 223.659 2.835 30 20 BFED CCSCC[C@@H](C)Nc1ccc(C#N)nc1 122790447 PNEDBNNHSLIGIJ-SNVBAGLBSA-N 235.356 2.897 30 20 BFED C=C(C)CSCc1nc([C@H](C)OCC)no1 123045852 PBVNNSQWGBZWIS-VIFPVBQESA-N 242.344 2.976 30 20 BFED CCCN(CC#N)CC#Cc1cccc(Cl)c1 124118689 YNDUDDAYGGTLLA-UHFFFAOYSA-N 246.741 2.927 30 20 BFED CCC(CC)CNc1nccc(C#N)c1[N+](=O)[O-] 125340300 UETDGPBXZRHCTF-UHFFFAOYSA-N 248.286 2.710 30 20 BFED CC1(C)CC[C@H](Nc2ccnc(C#N)c2)C1 129211596 ONYAJXIBBXBDMD-NSHDSACASA-N 215.300 2.944 30 20 BFED CC(C)[C@@](C)(O)CNc1ccc(F)cc1C#N 135450141 FCECVEKQCCDBND-ZDUSSCGKSA-N 236.290 2.516 30 20 BFED C=C[C@H](C)N[C@@H](C)c1cccc(C#N)c1 135522099 BPMHMODSHNJFOW-QWRGUYRKSA-N 200.285 2.783 30 20 BFED Cc1ccnc(NCCC2CCC2)c1C#N 135526781 JPHBOQHNQXCCPV-UHFFFAOYSA-N 215.300 2.864 30 20 BFED C[C@@H]1CCC[C@@H](CC(=O)N(C)CCC#N)C1 153968748 IQJBDLFTQSBSFI-VXGBXAGGSA-N 222.332 2.575 30 20 BFED C=C[C@H](C)NC(=O)CCc1cccc(Cl)c1 154184272 HWHFYEXMYMKWNL-JTQLQIEISA-N 237.730 2.963 30 20 BFED C=C[C@H](C)NC(=O)c1ccc(N(CC)CC)cc1 155222153 ADAXHEVXUPVAAU-LBPRGKRZSA-N 246.354 2.837 30 20 BFED C#CCCCCNC(=O)c1ccc(CC)cc1 156071487 LKDXCCYYIVAGCC-UHFFFAOYSA-N 229.323 2.782 30 20 BFED C#CCCCOc1c(F)cccc1[N+](=O)[O-] 163033709 ZCXRKGLCVOBQJQ-UHFFFAOYSA-N 223.203 2.526 30 20 BFED C=CCCC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 171442484 SGAGRGBKGPREFD-OLZOCXBDSA-N 233.286 2.764 30 20 BFED CC#CCN(C)[C@@H](C)c1ccc(F)cc1 172717733 XJHUNJHFKJKSNS-NSHDSACASA-N 205.276 2.842 30 20 BFED C#CCCCNC(=O)Nc1ccc(C)cc1F 174434613 DMUDCOJENDMXBH-UHFFFAOYSA-N 234.274 2.669 30 20 BFED C=CCCCC(=O)N(C)[C@@H](C)C1(C)CC1 175575153 MTIXKNXSJUCXLR-NSHDSACASA-N 209.333 2.990 30 20 BFED C=CCSCCNC(=O)CCC1CCC1 176250563 LCWNRAHAQMHCCE-UHFFFAOYSA-N 227.373 2.602 30 20 BFED C=C(C)CN(C)C(=O)N[C@H](C)c1ccccc1 180288160 QZAQGTGKHJXYBM-GFCCVEGCSA-N 232.327 2.965 30 20 BFED CO[C@@H](C)COc1ccc(C#N)cc1Cl 180943125 CUMNMLBAEGHNHR-QMMMGPOBSA-N 225.675 2.625 30 20 BFED C=C(C)CN(C)Cc1sc(C)nc1C 181303000 HEZVXKVMGCZHNC-UHFFFAOYSA-N 210.346 2.768 30 20 BFED C#CCC(C)(C)C(=O)NCCc1ccc(F)cc1 184890534 OIJSACAGLUYNDJ-UHFFFAOYSA-N 247.313 2.534 30 20 BFED C#CCC(C)(C)C(=O)N(C)c1cccc(C#C)c1 185463897 HWZIJQXVWOVPBQ-UHFFFAOYSA-N 239.318 2.680 30 20 BFED C=CCN1CCC(N[C@@H](C)CCC2CC2)CC1 186325369 MWBFGFGZNMQGEX-ZDUSSCGKSA-N 236.403 2.805 30 20 BFED CCN(Cc1ccc(C#N)c(F)c1)C(C)C 191954765 BJAPPWNFSSKUNM-UHFFFAOYSA-N 220.291 2.928 30 20 BFED C[C@@H]1CCCC[C@H]1NC[C@H](C#N)CCC#N 194073449 FKVAMUOHIHQSJC-FRRDWIJNSA-N 219.332 2.598 30 20 BFED CC(C)/C(N)=N/O[C@@H](C)c1ccc(C#N)cc1 194667970 RYCFYFROSPQXBZ-JTQLQIEISA-N 231.299 2.564 30 20 BFED CN1CCCC[C@H]1CCOc1ccc(C#N)cc1 200365928 JKQBLGBPAXHCIW-AWEZNQCLSA-N 244.338 2.811 30 20 BFED Cc1ccc(C(=O)/C=C\c2cn(C)nc2C)s1 210333593 GFLAPRPSOXEIML-WAYWQWQTSA-N 246.335 2.995 30 20 BFED C=CCC[C@H](C)NCC(C)(C)CCOC 230896470 LDMGZKSTZYQHMG-LBPRGKRZSA-N 213.365 2.993 30 20 BFED C[C@@H](CC(F)(F)F)Nc1ccc(C#N)cn1 231749706 INKUNQWJSURHKM-ZETCQYMHSA-N 229.205 2.706 30 20 BFED C=CCC[C@H](O)CN(C)[C@H]1CCC[C@H](C)C1 245982367 DIZQLBJKASQVQC-IHRRRGAJSA-N 225.376 2.824 30 20 BFED C#C[C@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 248508228 ZLJASKZIXMPWFS-RFQIPJPRSA-N 233.355 2.731 30 20 BFED CCCCON=Cc1cc(OC)ccc1OC 254944185 AGJSNOFZZLLRAJ-UHFFFAOYSA-N 237.299 2.854 30 20 BFED Cc1cccc(CC(=O)N[C@H](C#N)CC(C)C)c1 259950762 NLLJRTCNTMTJBQ-AWEZNQCLSA-N 244.338 2.592 30 20 BFED C[C@@H]1c2cccn2CCN1CCC(C)(C)C#N 265983032 GHBMFJIOCGOJME-GFCCVEGCSA-N 231.343 2.805 30 20 BFED Cc1ccccc1[C@@H](NCC#N)C1CC1 272080369 WBBAQBKNKRZQKJ-ZDUSSCGKSA-N 200.285 2.559 30 20 BFED C=CCCS[C@@H](C)c1nc(COC)no1 272966258 UHSRQTOKORIZJW-QMMMGPOBSA-N 228.317 2.586 30 20 BFED C=CCCN(C)C(=O)[C@@H]1CSc2ccccc21 276472936 XPPQCKJWYMQFDA-GFCCVEGCSA-N 247.363 2.910 30 20 BFED C[C@@H]1C[C@H](CCNc2cc(C#N)ccn2)CCO1 286734170 FUJXPZYAEGNLHM-VXGBXAGGSA-N 245.326 2.570 30 20 BFED C#C[C@H](C)N[C@@H](C)[C@H](C)c1ccc(OC)cc1 289322956 FYBBVJIQNRZPCO-AVGNSLFASA-N 231.339 2.799 30 20 BFED C=C[C@H](CO)N[C@H](C)c1ccc2c(c1)CCCC2 289693490 IFZNWQRURMLZKJ-MLGOLLRUSA-N 245.366 2.763 30 20 BFED C=CCn1c(CC2CC2)nnc1N(CC)CCC 290523786 WVUBPNJGRHIDGI-UHFFFAOYSA-N 248.374 2.653 30 20 BFED C#CCCNC(C)(C)c1ccccc1F 292235751 WFKMKHDINKECOZ-UHFFFAOYSA-N 205.276 2.674 30 20 BFED CC#CCN(C)C(=O)c1cc(Cl)ccc1C 294612210 QPOXNYGQOVMUGC-UHFFFAOYSA-N 235.714 2.744 30 20 BFED C=CCN(CC=C)[C@H](C)c1cccnc1 297966401 UYAWBUHYKDJDSU-GFCCVEGCSA-N 202.301 2.817 30 20 BFED CCCCN/C(N)=N/CC1CCC(C)CC1 303891278 QNUPIKGSWHYFPZ-UHFFFAOYSA-N 225.380 2.517 30 20 BFED CCc1ccc(NCCO[C@@H](C)C#N)cc1 304229960 KKJFTQYYWIOUJS-NSHDSACASA-N 218.300 2.590 30 20 BFED N#CCC1(CN2CC3CCC2CC3)CC1 308820619 CECOZHNDSQCUHZ-UHFFFAOYSA-N 204.317 2.555 30 20 BFED C=CCC[C@@H](N[C@H](CC)CO)c1ccco1 309905683 KCCQDGNLXQYKFM-VXGBXAGGSA-N 223.316 2.647 30 20 BFED CC(C)[C@H]1CCCN(CCO[C@H](C)C#N)CC1 310267407 NUDJYBHQVXHRCS-KGLIPLIRSA-N 238.375 2.673 30 20 BFED Cc1nc(NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)ccc1C#N 311232599 MPCXYMGWINQUND-NUZBWSBOSA-N 239.322 2.718 30 20 BFED Cc1ccnc(N(C)[C@H](C)C2CCC2)c1C#N 325236864 UFTWYDHRNXZNRV-LLVKDONJSA-N 229.327 2.887 30 20 BFED CC[C@]1(C)C[C@H]1C(=O)N[C@](C)(C#N)C(C)(C)C 331773861 KVSIWBFCKKFKAK-ZLKJLUDKSA-N 236.359 2.867 30 20 BFED C[C@@H](C(=O)N[C@](C)(C#N)C(C)(C)C)C(C)(F)F 332453166 HDILPKUGOJATJN-GZMMTYOYSA-N 246.301 2.722 30 20 BFED N#C[C@H]1CC[C@H](N2CCC3(CCOCC3)CC2)C1 334181162 DVHCFTBBJDNCEA-KBPBESRZSA-N 248.370 2.571 30 20 BFED C[C@H]1CCC[C@@H](C)N1C(=O)CC(C)(C)C#N 334290346 CHRFYCMAVHDJKT-PHIMTYICSA-N 222.332 2.716 30 20 BFED N#C[C@H]1CC[C@@H](N2CCC3(CCC3)C2)C1 334443842 MOIDYDGCUIGTBQ-NWDGAFQWSA-N 204.317 2.555 30 20 BFED C=C(C)C(C)(C)c1nc(-c2ccncc2)no1 335279194 ZCKOHEYWYWIFTP-UHFFFAOYSA-N 229.283 2.985 30 20 BFED N#Cc1ccnc(N[C@@H]2CCC[C@H](F)C2)c1 335381130 REOMODZJEIKUSI-WDEREUQCSA-N 219.263 2.646 30 20 BFED C[C@H]1CCC[C@@H](CC(=O)N2CCC(C#N)CC2)C1 335666188 BYWJQCWWMVJFFL-GXTWGEPZSA-N 248.370 2.965 30 20 BFED N#Cc1ccc(=O)n(CCC2=CCCCC2)c1 335911178 DZTYJWLTMVYVBK-UHFFFAOYSA-N 228.295 2.610 30 20 BFED C=CCCCN1CCNC[C@H]1c1cccc(F)c1 337084892 ZBDFKTBCZJMMQR-HNNXBMFYSA-N 248.345 2.738 30 20 BFED C=C(CNc1nccc(C)n1)c1ccccc1 340867313 ADYTTYPPAONEDF-UHFFFAOYSA-N 225.295 2.910 30 20 BFED C=C(C)CNC(=O)C[C@@H]1C[C@H]1c1ccccc1 341750221 RQGASBMJPGVUQT-KBPBESRZSA-N 229.323 2.873 30 20 BFED C=C(CNCc1cccn1C)c1ccccc1 343760588 IWGCQAHAHLPCOM-UHFFFAOYSA-N 226.323 2.828 30 20 BFED C=CCn1cccc1C(=O)N(C)[C@H]1CC[C@H](C)C1 346926845 YRGUNIFELWUCPU-STQMWFEESA-N 246.354 2.935 30 20 BFED CC[C@@](C)(C#N)c1nc(Cc2cccs2)no1 348880783 GXGJVWAPOUMDKZ-LBPRGKRZSA-N 247.323 2.913 30 20 BFED CC1(C)CC[C@@H](NC(=O)c2ccc(C#N)s2)C1 351534357 QAVFFNDCQLDUKL-SECBINFHSA-N 248.351 2.928 30 20 BFED CC[C@@H](C)C[C@@H](C)NC(=O)NCC(C)(C)C#N 353848535 RTCQVZKAHCLJIO-GHMZBOCLSA-N 239.363 2.660 30 20 BFED C=C1CCN(C(=O)c2ccnc(CCC)c2)CC1 354270356 YPTCUHGCKGGJKK-UHFFFAOYSA-N 244.338 2.826 30 20 BFED CCC[C@@](C)(CC)C(=O)N1CCC(C#N)CC1 355369585 ATQRRLMUYNFOMQ-CQSZACIVSA-N 236.359 2.965 30 20 BFED CCC[C@H](C)CC(=O)N1CCC(F)(C#N)CC1 355977864 DPNNARBWPIBEMC-NSHDSACASA-N 240.322 2.667 30 20 BFED CSC1(CN2CCC(F)(C#N)CC2)CCC1 356299330 HQXYYXFJZTWPFD-UHFFFAOYSA-N 242.363 2.600 30 20 BFED C[C@@H]1CC[C@@H](CNC(=O)c2ccc(C#N)s2)C1 358036667 MEARQQOEROCTQS-NXEZZACHSA-N 248.351 2.786 30 20 BFED C=CC[C@H](C)NC(=O)[C@@H]1CCC(C)(C)C1 358987235 RCSWBRNJULJJNZ-WDEREUQCSA-N 209.333 2.894 30 20 BFED C=CCCCCCCN[C@H]1CCO[C@@H]1C 379913285 OFCSDMGHNFPSDO-OLZOCXBDSA-N 211.349 2.890 30 20 BFED C#C[C@@H](Nc1snc(Cl)c1C#N)C(C)C 380084587 HFCZOLZGLLHCTF-MRVPVSSYSA-N 239.731 2.738 30 20 BFED C#C[C@](C)(CC)NCc1ccc(N(C)C)cc1 384189983 VCMWYKIVBYITGY-OAHLLOKOSA-N 230.355 2.644 30 20 BFED C=C(C)CCN=c1nc(C(C)(C)C)[nH]s1 386719222 RNVHFPSBUBNMCT-UHFFFAOYSA-N 225.361 2.636 30 20 BFED C=CCCCCN=c1[nH]cc(Cl)s1 388250592 WHOHTGPBZSMKOW-UHFFFAOYSA-N 216.737 2.987 30 20 BFED C=CCOCCNC(C)(C)CC(C)(C)C 393518362 MPNILKBYGPIXME-UHFFFAOYSA-N 213.365 2.993 30 20 BFED CC[C@H]1C[C@H](C)CN1c1nccc(C)c1C#N 399564544 MPZZZBONGMZUJH-JQWIXIFHSA-N 229.327 2.887 30 20 BFED N#CCC1(COc2cccc3c2OCC3)CC1 401536217 FEVQANHQOGBJOW-UHFFFAOYSA-N 229.279 2.694 30 20 BFED C=C(CC)CN1CCC(c2ccncn2)CC1 411830421 XVMLAOISNPECOI-UHFFFAOYSA-N 231.343 2.622 30 20 BFED CC(C)(C)C[S@](=O)Cc1cccc(C#N)c1 414268020 NFFOTNQVGHGESV-MRXNPFEDSA-N 235.352 2.853 30 20 BFED C=CC[C@H](Cc1ccccc1)NC1CCOCC1 414310937 XMUHUBUVPGVGEA-MRXNPFEDSA-N 245.366 2.942 30 20 BFED C=CC[C@H](C)[C@@H](C)NCc1ccc2c(c1)CNC2 423395151 RSXKUEYSUSCDSV-QWHCGFSZSA-N 244.382 2.980 30 20 BFED C=CCN(CCC#N)Cc1ccc(C)cc1 428871563 JEMSGDOTGNALOC-UHFFFAOYSA-N 214.312 2.897 30 20 BFED CC(C)[C@@H]1N(c2ncccc2C#N)CC1(C)C 431512388 GAPLLVLPJUIFQD-LBPRGKRZSA-N 229.327 2.824 30 20 BFED COC(=O)c1cccc(N[C@H]2CC[C@H](C#N)C2)c1 442883009 UBZOFDWNRCIGAG-GWCFXTLKSA-N 244.294 2.577 30 20 BFED N#Cc1cnc(Nc2ccc3ccoc3c2)cn1 443518760 SYNJVQUSNWSILE-UHFFFAOYSA-N 236.234 2.838 30 20 BFED C=CCCOCCNC(=O)[C@]1(C)CCC[C@H]1C 450393025 PPECESRTAWBQHV-TZMCWYRMSA-N 239.359 2.522 30 20 BFED N#C[C@@H]1CC[C@H](S[C@H]2CCCOC2)C1 450894123 FBIXNNWCPSUKGX-VWYCJHECSA-N 211.330 2.591 30 20 BFED CC[C@@H]1CCC[C@H]1CNC(=O)[C@@](C)(C#N)CC 452537060 ZMJXPYFKWKJAOE-MBNYWOFBSA-N 236.359 2.869 30 20 BFED C=CCC[C@H](NC[C@H](C)CCCO)C1CC1 453272641 IIBJFSHBMLTZIY-OCCSQVGLSA-N 225.376 2.729 30 20 BFED C=CC[C@H](CC)NC(=O)NC[C@@H]1C[C@H]1C(C)C 454910962 LXVAUZWMZFLBET-AVGNSLFASA-N 238.375 2.932 30 20 BFED C=C(C)CCNC(=O)NCc1ccccc1C 455306861 HHSBHSBBPVFKEQ-UHFFFAOYSA-N 232.327 2.760 30 20 BFED C=CCn1cccc1C(=O)NC(C)(C)C1CCC1 456160446 GVAOSZXGGRCDLW-UHFFFAOYSA-N 246.354 2.983 30 20 BFED CC[C@](C)(C#N)C(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1 456255823 PQAQPRINFVUSIG-KCQAQPDRSA-N 246.354 2.573 30 20 BFED C=C(CC)CNC(=O)N(C)[C@H](C)CCC 459080642 PVICPMOIZCKJMQ-LLVKDONJSA-N 212.337 2.783 30 20 BFED C=C(C)CNC(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C 483320085 LSSKOPPKNQKHSS-AVGNSLFASA-N 238.375 2.934 30 20 BFED CC#CCCNC(=O)N1CCC[C@@H](CCC)C1 483425863 APXUVBDPFLPVSG-CYBMUJFWSA-N 236.359 2.622 30 20 BFED CN(Cc1cc(C#N)ccc1F)[C@@H]1CC1(C)C 489427604 OUXWRDZXQUWHHX-CYBMUJFWSA-N 232.302 2.928 30 20 BFED C#C[C@H](CC)N[C@@H]1CCc2c(cccc2OC)C1 491670325 QRPNXZOLBPYHJJ-ZIAGYGMSSA-N 243.350 2.554 30 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CCC1(CNC[C@H](C)CCC#N)CCOCC1 602561897 RDTOABAJTRCUSQ-CYBMUJFWSA-N 238.375 2.723 30 20 BFED CC#CCNC1(c2noc(C)n2)CCCCCC1 607727873 YNSWSNNHOHPISL-UHFFFAOYSA-N 247.342 2.540 30 20 BFED Cc1cscc1C(=O)N[C@H](C#N)CC(C)C 610521149 ONZWDTKVNVGLCH-JTQLQIEISA-N 236.340 2.725 30 20 BFED Cc1ccc(C#N)nc1N(C)Cc1cccs1 611398966 DUTROMCZODUWRE-UHFFFAOYSA-N 243.335 2.960 30 20 BFED C=CCN(C)c1nnc([C@@H](C)CC)n1CC1CC1 612763022 BVGCZXWHAPXGBI-NSHDSACASA-N 248.374 2.824 30 20 BFED C=CCCOCC(=O)Nc1ccc(C)cc1OC 620202300 SPHGDSOVGVMDQM-UHFFFAOYSA-N 249.310 2.535 30 20 BFED C=CCC[C@@H](O)CN1CC(C)(C)[C@@H]1c1ccco1 639925692 CKDPWABEDMXHPE-OCCSQVGLSA-N 249.354 2.990 30 20 BFED C=C(CC)CN1CCC[C@H](OC(C)C)C1 649703075 TVEPCYZPFNLCMJ-ZDUSSCGKSA-N 211.349 2.842 30 20 BFED C=CC[C@@H]1CCCN(Cc2ccc(OC)nc2)C1 661381081 UXKRWHVMEQBGTD-CYBMUJFWSA-N 246.354 2.878 30 20 BFED C=CCN(C[C@@H]1CCCCO1)C(C)(C)C 661755625 OATDRTKXAGHOQK-LBPRGKRZSA-N 211.349 2.842 30 20 BFED C=CCN(Cc1ccnc(C)n1)C(C)(C)C 661759870 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C/C(=C\C(=O)N[C@H](C#N)C(C)C)C(C)(C)C 742658104 WWQJOLQPQZZLSO-PFEDMVJOSA-N 222.332 2.643 30 20 BFED C=CCOC(=O)c1cc(C(C)(C)C)ccc1N 744854144 NQYBNTFSHBLEFC-UHFFFAOYSA-N 233.311 2.909 30 20 BFED Fc1cc(NN=Cc2cc[nH]c2)cc(F)c1F 747641646 BOCOPNKSOFTBSR-UHFFFAOYSA-N 239.200 2.878 30 20 BFED CON=C(C)c1ccc(F)cc1OC(F)F 748076372 PAMPFDDACFZXFO-UHFFFAOYSA-N 233.189 2.798 30 20 BFED CC[C@@H](C)C=NNc1nc(-c2ccncc2)no1 755678765 LTOBIVAGHQDPJE-SECBINFHSA-N 245.286 2.575 30 20 BFED CC[C@H](C)C(=O)OCc1cc(F)ccc1C#N 759354948 UGHMACUCRUZOFQ-VIFPVBQESA-N 235.258 2.787 30 20 BFED C/C(=C\C(=O)[C@H](C#N)c1ccncn1)C(C)(C)C 760343590 CJTKNOGQWDLBMZ-PFEDMVJOSA-N 243.310 2.645 30 20 BFED CC(=NN=C[C@@H]1C[C@H]2CC[C@H]1C2)c1cnccn1 762423381 PKXXINPKWZDDAV-AVGNSLFASA-N 242.326 2.708 30 20 BFED C=CC[C@@H](NCc1ccn(C)c1)c1ccncc1 763471557 BOJROPMBKXGCMF-OAHLLOKOSA-N 241.338 2.827 30 20 BFED C#CCCCN(Cc1ccccn1)C(C)C 766895716 QVOAOXCBFIMSEZ-UHFFFAOYSA-N 216.328 2.705 30 20 BFED C#CCCCN1CCc2cccc(F)c21 766924822 SVVCSZWPFZYWJQ-UHFFFAOYSA-N 203.260 2.602 30 20 BFED Cc1ccc(F)c(C(=O)OCCCC#N)c1F 766979272 MEFZZHUUYIZSFA-UHFFFAOYSA-N 239.221 2.734 30 20 BFED CO[C@H](C)CC(=O)OCCCCC(C)(C)C#N 768670345 NLEWQCOGJWWLMZ-LLVKDONJSA-N 241.331 2.675 30 20 BFED N#CCCCCOC(=O)c1ccoc1Cl 768952319 NWSNIILZLHNKTQ-UHFFFAOYSA-N 227.647 2.784 30 20 BFED C#C[C@@H](CC)NC(=O)NCC(C(C)C)C(C)C 772404195 GXVBYHCEPVEKPV-LBPRGKRZSA-N 238.375 2.626 30 20 BFED COc1ccc(C)cc1C=NOC1CCOCC1 774441322 KUQISQBSVDNUTI-UHFFFAOYSA-N 249.310 2.533 30 20 BFED C=C(CC)COC(=O)C[C@](C)(O)c1ccccc1 778337784 MWOOSRXXNXLKDM-HNNXBMFYSA-N 248.322 2.794 30 20 BFED C#CCN1CCC[C@@H]1/C=C\c1ccccc1 780400373 HYSAXNRBHQGTMV-JQPIKURYSA-N 211.308 2.797 30 20 BFED C/C=C(/C=C/C(=O)O[C@@H](C#N)CC)CC 781193547 MBLUMEDGMYDUAW-SFIBMCQPSA-N 207.273 2.744 30 20 BFED C[C@H]1CCCC[C@H]1C=NNc1cnccn1 783824364 RGIURQKDXMSITB-QWRGUYRKSA-N 218.304 2.701 30 20 BFED C#CCN1C[C@H](C)C[C@H]1c1cccc(OC)c1 784355912 UFYILNIZPWESPS-DOMZBBRYSA-N 229.323 2.711 30 20 BFED C=C[C@@](C)(CC)C(=O)OCC(=O)CC(C)C 785759095 GOUOGVSUROOBGO-ZDUSSCGKSA-N 226.316 2.747 30 20 BFED CCCCCCCC(=O)N1CC(C)(COC)C1 790430871 FRKGMKRLHAYMPX-UHFFFAOYSA-N 241.375 2.842 30 20 BFED C#CCC(C)(C)C(=O)N(C)Cc1ccn(CC)c1 790997316 TYSOCLKYQXZDKB-UHFFFAOYSA-N 246.354 2.516 30 20 BFED Cc1ccc(NN=C2CCC3(CC2)CC3)nn1 792633435 IAZLRTSWPKUOSS-UHFFFAOYSA-N 230.315 2.907 30 20 BFED CC[C@H](C)CON=Cc1ccc(F)nc1 793159371 OHRJGWFXPHUQIJ-VIFPVBQESA-N 210.252 2.617 30 20 BFED COC[C@@H](C)NN=C1CCC[C@H](C(C)C)C1 794527442 ZRGGRDMTNJMFES-NEPJUHHUSA-N 226.364 2.813 30 20 BFED CC(=NNc1cccc(F)n1)c1nccs1 795007158 RTXAZZRQDPOSRC-UHFFFAOYSA-N 236.275 2.513 30 20 BFED Cc1nc2cc(C(=O)O[C@H](C)CC#N)ccc2o1 796710778 VLHLQWLZHNGJPK-MRVPVSSYSA-N 244.250 2.595 30 20 BFED C=CCOCCOC(=O)/C=C/c1ccsc1 797307278 ZTBNVVPWEXQYBR-ONEGZZNKSA-N 238.308 2.507 30 20 BFED C#C[C@H](NC(=O)C[C@H]1CCCC[C@@H]1C)C(C)C 799046774 PNCIOLRCOOYESP-MJBXVCDLSA-N 235.371 2.977 30 20 BFED C[C@@H](c1ccco1)N(CCO[C@H](C)C#N)C1CC1 801935404 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LMJGJQOEGCCLMY-NSHDSACASA-N 225.332 2.827 30 20 BFED C=CCONC(=O)[C@@H](C)c1ccc(CC)cc1 837046835 PZNDLIYADGNSBJ-NSHDSACASA-N 233.311 2.586 30 20 BFED C=C(CC)CNC(=O)C[C@@H](O)CC[C@@H](C)CC 837098966 LIEUTNZBQFSQFO-AAEUAGOBSA-N 241.375 2.646 30 20 BFED C=C(CC)CNC(=O)C[C@H](O)CC[C@@H](C)CC 837098970 LIEUTNZBQFSQFO-WCQYABFASA-N 241.375 2.646 30 20 BFED O=C(C#CC1CC1)NCCCC1CCCCC1 837341632 LHMXSXKNOWBNKY-UHFFFAOYSA-N 233.355 2.877 30 20 BFED C=C[C@@H]1CCCCN1C(=O)C#CC(C)(C)C 837581683 NNNDABPYGHTEOG-GFCCVEGCSA-N 219.328 2.603 30 20 BFED C#CCCCCNC(=O)N1CC(CC)(CC)C1 838514350 CZLZTCLKXQFTQV-UHFFFAOYSA-N 236.359 2.622 30 20 BFED Cc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)nc1 839054401 LLAIWMQDTYEVHQ-RYUDHWBXSA-N 244.294 2.629 30 20 BFED N#CCCSCc1cccnc1Cl 840212805 JPMOGLATRBJXPE-UHFFFAOYSA-N 212.705 2.882 30 20 BFED C=C(C)CCOC(=O)c1ccc(C)c(C)n1 840599480 XQPQKOUHMWFTDA-UHFFFAOYSA-N 219.284 2.821 30 20 BFED C=C(C)CN(CC)C(=S)NC1(C)CCC1 840702567 FKFSGBNWVKDLEA-UHFFFAOYSA-N 226.389 2.702 30 20 BFED Oc1cccc(/C=N\[C@H]2CCC[C@@H]3C[C@H]23)c1O 840709401 CQXBIEHLHGZVRV-ZNKUPBPRSA-N 231.295 2.705 30 20 BFED C#C[C@H](C)NC(=O)N[C@@H]1CCC[C@H]1C(C)(C)C 841583561 VASXNOLFFHVUKN-QJPTWQEYSA-N 236.359 2.522 30 20 BFED CCC(=NOCCSC)[C@@H]1C[C@H]1C 841635386 ACPWYINMWLUNNB-RKDXNWHRSA-N 201.335 2.788 30 20 BFED C=C[C@H](C)ON=Cc1cn(C(C)C)nc1C 844625939 PWMQSCORLUVVPG-JTQLQIEISA-N 221.304 2.697 30 20 BFED C=C(C)CONC(=O)N1CCCC(C)(C)CC1 845597061 BJUGGIZIBHXHJE-UHFFFAOYSA-N 240.347 2.716 30 20 BFED C=C[C@H](C)ONC(=O)CCCSC(C)(C)C 846546322 BMKWHGBSCXTIPI-JTQLQIEISA-N 245.388 2.921 30 20 BFED C#CCCOC(=O)C1[C@@H]2CCCCCC[C@@H]12 850307124 YJIDPMZZVDASNF-VXGBXAGGSA-N 220.312 2.769 30 20 BFED C=CC(C)(C)CCOC(=O)C1(CC)COC1 851299480 NNUVWJYSJLNWJU-UHFFFAOYSA-N 226.316 2.559 30 20 BFED C=C(C)CONC(=O)N1C[C@H](CC)CC[C@H]1C 854217876 DUKXTYZKYHSJMX-VXGBXAGGSA-N 240.347 2.714 30 20 BFED C#C[C@@](C)(CC)NC(=O)Cc1cc(C)cc(C)c1 854692726 GHRILOLMQVSSTQ-INIZCTEOSA-N 243.350 2.764 30 20 BFED C=CCCONC(=O)[C@H]1CC[C@H](CC)CC1 856034000 ZBCGPAKZFNXLTH-HAQNSBGRSA-N 225.332 2.827 30 20 BFED C#CCN1CCC[C@@H](c2ccc(F)c(F)c2)C1 859416325 FNXKHZQCZJHOAW-GFCCVEGCSA-N 235.277 2.777 30 20 BFED CCCCCCCNC(=O)C1(SC)CC1 862357282 RYYDJWRWRYQBMS-UHFFFAOYSA-N 229.389 2.969 30 20 BFED Cc1cccc(NN=C2CC(C(F)F)C2)n1 863160246 WKRAGGNDVYKEHG-UHFFFAOYSA-N 225.242 2.833 30 20 BFED Cc1ccc(C=NNCC(C)C)c(F)c1 872361568 HFWJCNMEDCYPDX-UHFFFAOYSA-N 208.280 2.714 30 20 BFED C=CCCCC(=O)Nc1nc(C(C)C)ns1 874695963 WVINALHKMHHGDG-UHFFFAOYSA-N 239.344 2.956 30 20 BFED C=CC[C@H](NC[C@@H](OC)C1CC1)c1ccncc1 877047201 ZPYIDECUMZGQQA-LSDHHAIUSA-N 246.354 2.713 30 20 BFED C=CC1(OC(=O)c2nc(C)c(C)s2)CC1 893363979 JQJMOODAZDVGKW-UHFFFAOYSA-N 223.297 2.635 30 20 BFED C#CCCCCCC(=O)OCC#CCC 893841032 MFEFLKIVSGJMNN-UHFFFAOYSA-N 206.285 2.527 30 20 BFED C#Cc1ccc(N[C@H]2CS[C@@H](C)C2)cc1 898500166 XNTMFMZMAQAYEC-GXFFZTMASA-N 217.337 2.974 30 20 BFED C(=NOC1CCC1)c1cnn(C2CCC2)c1 901245955 JTXSRJZMKRYQOO-UHFFFAOYSA-N 219.288 2.511 30 20 BFED Fc1ccc(NN=C2CCOC2)c(Cl)c1 901320365 NNPGZIPSEKPGQS-UHFFFAOYSA-N 228.654 2.667 30 20 BFED C=CC[C@H](C)[C@H](C)NCc1cc(C(=O)O)co1 901953686 BRIGWBWNSMBWDM-UWVGGRQHSA-N 237.299 2.668 30 20 BFED C#CCCCNCc1cc(C)ccc1NC 902280589 UBSBMTSOAGJBJB-UHFFFAOYSA-N 216.328 2.540 30 20 BFED N#CC1(CCCCN2CCC(CN)CC2)CCC1 903713608 XISICWVDUGGQDF-UHFFFAOYSA-N 249.402 2.521 30 20 BFED C=CCCCCNC[C@@H](O)c1cccc(C)c1 905220664 UCNHCTVLWIMIFM-OAHLLOKOSA-N 233.355 2.974 30 20 BFED CCCC(CCC)=NNc1cnccn1 912958880 MADULTCYGXEREL-UHFFFAOYSA-N 206.293 2.845 30 20 BFED C=CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)C 914683115 GOXXJHAHKWTOGY-UHFFFAOYSA-N 248.282 2.631 30 20 BFED C=CCCOCC(=O)O[C@H]1CCC[C@@H](C)C1 920793089 KIEILLPIZXPCCE-NEPJUHHUSA-N 226.316 2.701 30 20 BFED C=C1CN(C(=O)Nc2c(C)cccc2C)C1 929224720 HHPCKWIJQICXNG-UHFFFAOYSA-N 216.284 2.707 30 20 BFED C=CCCNC(=O)Nc1cc(C)nc(Cl)c1 934202320 INMGOAIDVRNQGQ-UHFFFAOYSA-N 239.706 2.741 30 20 BFED C=CCCC[C@H](C)NC(=O)c1coc(C=O)c1 935250127 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C=CCCN1CCc2c(C)cccc2[C@@H]1C(=O)O 1776177492 MKEVTJAKLYEDOH-CQSZACIVSA-N 245.322 2.555 30 20 BFED C=CCCCCN1CC(C)(C)C[C@@H]1CC(=O)O 1776207696 DDUCVCXGLRUDQM-LBPRGKRZSA-N 239.359 2.918 30 20 BFED COc1ccc2nc(S[C@@H](C)C#N)[nH]c2c1 4252469 KXDNZRBBZCYQJA-ZETCQYMHSA-N 233.296 2.576 30 20 BFED C=CCNC(=O)c1ccc(C)c(Cl)c1 5795267 VZMBKYXIWIYNTM-UHFFFAOYSA-N 209.676 2.564 30 20 BFED C=C(C)COc1ccc(C#N)cc1OCC 42207770 FHDKNOPQBCAXLM-UHFFFAOYSA-N 217.268 2.912 30 20 BFED CC1CCC(N(C)c2cc(C#N)ccn2)CC1 42488163 PZCPPXPCCBEKGE-UHFFFAOYSA-N 229.327 2.968 30 20 BFED C=C(C)CN(CC)C(=O)CSCC(C)C 47077777 KDTBUECSWIYJIN-UHFFFAOYSA-N 229.389 2.800 30 20 BFED C=CCOc1cccc(NC(=O)C(C)(C)C#N)c1 48948451 YHXXOUKXKJYMKQ-UHFFFAOYSA-N 244.294 2.740 30 20 BFED Cc1ccc([C@H](C)N(C)CCC#N)cc1 51382931 BYDWCQDLEYSUOJ-LBPRGKRZSA-N 202.301 2.902 30 20 BFED C=C(Br)CN(CC)CC(C)C 52441087 LXEREMOVXJGTFQ-UHFFFAOYSA-N 220.154 2.873 30 20 BFED C=CCSCC(=O)Nc1c(F)cccc1F 71530606 WFDHTPYZNDKCEJ-UHFFFAOYSA-N 243.278 2.823 30 20 BFED 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2.537 30 20 BFED FC(F)(F)CCNN=Cc1ccccc1 794552537 OBNWMIQOHGQKRJ-UHFFFAOYSA-N 216.206 2.563 30 20 BFED CSCCON=C1CCC[C@@H]1CCF 794937079 HAVLRWUPDPAPHA-SECBINFHSA-N 219.325 2.882 30 20 BFED C=CCNN=C(CC)c1cccc(F)c1 794994323 QRXYYNLHBYVYLB-UHFFFAOYSA-N 206.264 2.715 30 20 BFED C=CCOCCOC(=O)[C@@H](C)C1CCCC1 797296390 HMDYCVIYKGNQKC-NSHDSACASA-N 226.316 2.559 30 20 BFED CC(C)(C#N)CCCCOC(=O)c1ccc[nH]1 797857657 ACWDNQDFAXZIBK-UHFFFAOYSA-N 234.299 2.892 30 20 BFED Cn1cnc(/C=C\C(=O)c2ccc(F)c(F)c2)c1 798232280 QANDVCRIJKTTLB-HYXAFXHYSA-N 248.232 2.594 30 20 BFED C=CCCC(=O)COC(=O)[C@@H](C)CCCC 800277842 XBWVLEVDXDCYKP-NSHDSACASA-N 226.316 2.891 30 20 BFED C=CCC(CC=C)C(=O)OCc1ccncc1 803391184 GOZCVZKYZALZGZ-UHFFFAOYSA-N 231.295 2.893 30 20 BFED C=CCCCCCCNC(=O)[C@@H]1C[C@H]1OCC 805217848 LZFUHQQWVBKQHE-CHWSQXEVSA-N 239.359 2.664 30 20 BFED C#C[C@H](NC(=O)/C=C1/CC[C@H](C)C1)C(C)(C)C 807879631 YVWNHNMUHRVOPJ-UYVMEVJISA-N 233.355 2.897 30 20 BFED CC(C)CON=Cc1ccc(C(C)(C)O)cc1 807979443 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PMKBMJXHFVGUBV-UHFFFAOYSA-N 243.354 2.865 30 20 BFED Cc1ccccc1CCN(C)C(=O)C#CC(C)C 854689128 OSEVFSJOFHUUSK-UHFFFAOYSA-N 243.350 2.655 30 20 BFED CCC(=NNc1ncc(Cl)cn1)C(C)C 857221917 VMAPHLAPNPQHOD-UHFFFAOYSA-N 226.711 2.964 30 20 BFED CCCON=C(CC)c1ccc(N)cc1 863124476 WTFZKOGDWUHORA-UHFFFAOYSA-N 206.289 2.810 30 20 BFED C[C@H](CC#N)Nc1cccc(Br)n1 865497786 RLGLXPJTYKPXGD-SSDOTTSWSA-N 240.104 2.558 30 20 BFED C=CCCCCOC(=O)c1ncc2ccccn12 869695315 DIIWLMBCCZZAPR-UHFFFAOYSA-N 244.294 2.847 30 20 BFED CCCCOc1ccccc1C=NN1CCC1 872396956 GVUBAMUXPAYXSL-UHFFFAOYSA-N 232.327 2.905 30 20 BFED CC(C)(C)[C@@H]1CC(=NN2CCC2)CS1 872398498 SSOCHGIYPOPBEA-JTQLQIEISA-N 212.362 2.600 30 20 BFED CCC[C@H](CC)C(=O)N(C)[C@H](C)CC#N 874358988 WPTGYZDHRZCASV-MNOVXSKESA-N 210.321 2.573 30 20 BFED C=CC(C)(C)CC(=O)N1CCn2cccc2[C@@H]1C 878092315 REJAICDDWOQITP-LBPRGKRZSA-N 246.354 2.994 30 20 BFED C=CC(C)(C)CC(=O)N1C[C@H](C)[C@@H](C)C1 879025174 VFHUMAPSXAXYJD-QWRGUYRKSA-N 209.333 2.703 30 20 BFED CCC[C@H](C)C(=O)Nc1cccc(CC#N)n1 882477415 SKICNOCAJVVKCQ-JTQLQIEISA-N 231.299 2.522 30 20 BFED CC#CCCCC(=O)Nc1ccc(CC)cn1 882720684 GMPAHKDHECBSCX-UHFFFAOYSA-N 230.311 2.776 30 20 BFED Clc1ccc(C=NNC2CCCC2)nc1 884426242 FZADSAKWDQTPGH-UHFFFAOYSA-N 223.707 2.601 30 20 BFED C=CC(C)(C)CC(=O)O[C@H](C)c1nc(C)no1 884651454 OTVCGXFRDBZQOM-MRVPVSSYSA-N 238.287 2.585 30 20 BFED CC[C@H](C)[C@H](C)C(=O)N(CC#N)c1ccccn1 892470319 OBZUPFXGBMXIQW-RYUDHWBXSA-N 245.326 2.620 30 20 BFED C=CC1(OC(=O)/C(C)=C\c2ccco2)CC1 893358609 FOICMUKBIVVHBS-KTKRTIGZSA-N 218.252 2.945 30 20 BFED C=CC1(OC(=O)[C@H]2CC(=O)c3ccccc32)CC1 893364694 ZAYPHLBLMHMKOY-LBPRGKRZSA-N 242.274 2.618 30 20 BFED C=CC1(OC(=O)[C@@H](C)OCc2ccccc2)CC1 893364820 BNUFMVNGTQEWNU-GFCCVEGCSA-N 246.306 2.854 30 20 BFED CC[C@H](CC#N)NCc1c(C)nn(C(C)C)c1C 893605753 JHSKXXQGCBLNBM-CYBMUJFWSA-N 248.374 2.863 30 20 BFED C=CCCCc1nc(-c2ocnc2C)no1 896317665 YWLYTOKRUOKMAA-UHFFFAOYSA-N 219.244 2.542 30 20 BFED C=CC(C)(C)CC(=O)N(CCC#N)C(C)C 900469503 HAIMUADTTJSALF-UHFFFAOYSA-N 222.332 2.739 30 20 BFED C=C(C)C[C@H](N[C@@H]1CCC(C)(C)C1)C(=O)O 901680154 UVKHZLIBEZBXPI-MNOVXSKESA-N 225.332 2.574 30 20 BFED C[C@@H](NCC(C)(C)C#N)c1cccnc1Cl 903100017 GCBUSRNOXPZINS-SECBINFHSA-N 237.734 2.935 30 20 BFED C=CCC[C@H](CCC)N[C@@H]1COC[C@H]1C 903394959 IQVSPGMSSINSHY-FRRDWIJNSA-N 211.349 2.746 30 20 BFED C=C[C@@H](CC)CC(=O)OCc1ncc(C)o1 904155324 HOOKOEFNUILYPN-JTQLQIEISA-N 223.272 2.629 30 20 BFED C=CCC(C)(C)C(=O)N=[S@](C)(=O)C(C)C 906195502 LSGVJGDOHKWTFD-OAHLLOKOSA-N 231.361 2.622 30 20 BFED C=CCNC(=O)c1ccccc1NCC(=C)C 914787546 UBQGLXMAYAMXBW-UHFFFAOYSA-N 230.311 2.590 30 20 BFED COc1cccc2cc(C(=O)O[C@H](C)C#N)oc12 915420819 JVTCDVQJCVVXPP-MRVPVSSYSA-N 245.234 2.510 30 20 BFED CCCNN=C1CSCc2ccccc21 915965477 JRABBXCGBGWSRQ-UHFFFAOYSA-N 220.341 2.637 30 20 BFED N#CCc1ccccc1C(=O)OC/C=C/Cl 916608912 WABXIHOYEZVYOF-XVNBXDOJSA-N 235.670 2.662 30 20 BFED Fc1cc(F)cc(NN=Cc2ccncc2)c1 920376857 WDSIOFRJHMHSPC-UHFFFAOYSA-N 233.221 2.806 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1ccc(OC)nc1 929203920 XBPXUYLUFCYQTG-JTQLQIEISA-N 234.299 2.631 30 20 BFED C#CCN(CC#N)Cc1ccccc1C(C)C 930316032 VSZIUTMTQFEPQR-UHFFFAOYSA-N 226.323 2.769 30 20 BFED C=C(C)CN[C@@H](c1ccncc1)C1CC1 934687878 RRSJJHIEMJHZNS-CYBMUJFWSA-N 202.301 2.698 30 20 BFED C=CC[C@H](CC)NC(=O)CC#Cc1ccccc1 1116911679 SVPRHTSUNLFQBW-HNNXBMFYSA-N 241.334 2.899 30 20 BFED C=C(C)CCC(=O)Nc1cc(OC)cc(OC)c1 1120570135 OSEIUUWIBHFOBF-UHFFFAOYSA-N 249.310 2.999 30 20 BFED CC(C)c1oc(-c2ccccc2)nc1C(=O)NO 1320846552 QMFSBXMAJIHSPX-UHFFFAOYSA-N 246.266 2.584 30 20 BFED C=C1CCC(C(=O)NCCc2ccoc2)CC1 1338011698 OSUNTEBNHCRFQZ-UHFFFAOYSA-N 233.311 2.685 30 20 BFED C=CCC[C@H]1CCCN1C(=O)N[C@@H](C)CC 1340156500 LUTRIBVCCDTMJL-RYUDHWBXSA-N 224.348 2.925 30 20 BFED C=CCCC(=O)OC[C@H]1C[C@]1(C)Br 1345128151 YJFUVVKAZCZROE-SCZZXKLOSA-N 247.132 2.669 30 20 BFED C=C[C@H](C(=O)N(C)C1CC1)c1ccccc1 1346172907 FAEAXEVCOUXUKO-ZDUSSCGKSA-N 215.296 2.577 30 20 BFED C=C(CC)C(=O)N(C)c1cccc2c1CCCN2 1349789487 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20 BFED C=CCN1CCC[C@@H]1c1cccc2c1OCCO2 66899218 PJOWJGUZZLTUJE-CYBMUJFWSA-N 245.322 2.781 30 20 BFED N#Cc1ccc2c(ccn2-c2cccc(CO)c2)c1 71792036 BMGAMYJYBLRLAM-UHFFFAOYSA-N 248.285 2.994 30 20 BFED C=C(C)CN(CC)C[C@H](O)c1ccccc1F 75672843 WGNRIRZZOLSBAI-AWEZNQCLSA-N 237.318 2.757 30 20 BFED CCc1cnc(CN(CC#N)C2CCCC2)o1 75752120 YKXNPIIOOXEGGU-UHFFFAOYSA-N 233.315 2.505 30 20 BFED C[C@@H]1C[C@@H](C)CN(C(=O)C#Cc2ccccc2)C1 80465868 ZWBGIENWASBCMV-ZIAGYGMSSA-N 241.334 2.543 30 20 BFED CC[C@@H](C#N)OC(=O)C1CCCCCC1 84712866 KOHLAIJYHTYJGQ-NSHDSACASA-N 209.289 2.802 30 20 BFED C#CCNc1ccccc1SCCC#N 85276981 IKXYDQKWCWQCJV-UHFFFAOYSA-N 216.309 2.737 30 20 BFED CC[C@@H](C)CNc1snc(C)c1C#N 86254663 ZOZWMOQQDSMKRX-SSDOTTSWSA-N 209.318 2.781 30 20 BFED CC1(C)CCCN(c2ccnc(C#N)c2)CC1 87658089 VQCZNTOVDHGVHI-UHFFFAOYSA-N 229.327 2.970 30 20 BFED C[C@@H](C#N)Oc1ccc(CN(C)C2CCC2)cc1 93475764 QMJJPAHYZXCGCO-LBPRGKRZSA-N 244.338 2.962 30 20 BFED Cc1ccc(C#N)cc1NCc1cnn(C)c1C 93650217 OFJDBBQTDBMDKN-UHFFFAOYSA-N 240.310 2.521 30 20 BFED C[C@H](NC[C@@]1(C)CCCO1)c1ccc(C#N)cc1 94797123 ZRLFHLCLDVRBLS-SWLSCSKDSA-N 244.338 2.778 30 20 BFED CCCCCCC[C@H](C)N[C@@H](C)C(=O)O 104807362 WESGYYVOJLHOSY-QWRGUYRKSA-N 215.337 2.798 30 20 BFED Cc1ccc(NC(=O)N(C)CCC#N)c(C)c1 107472524 UPZHRZWPECQZJO-UHFFFAOYSA-N 231.299 2.681 30 20 BFED C#CCN(CC)C(=O)/C=C/c1ccc(Cl)cc1 108911368 FUKBLDNSDGXKGU-JXMROGBWSA-N 247.725 2.835 30 20 BFED Cc1cc(C(=O)NCCCCC#N)sc1C 112724048 ZYCNKAARQRCVKI-UHFFFAOYSA-N 236.340 2.789 30 20 BFED Cc1ccc(/C=C/C(=O)c2cnccn2)s1 115962849 FYAGHMBUWQCAOM-SNAWJCMRSA-N 230.292 2.743 30 20 BFED C#CCNC(=O)[C@@H](CC)CCCCCC 116716627 SJCHMRMRUOSQSB-LBPRGKRZSA-N 209.333 2.732 30 20 BFED C=CC[C@H](C)NC(=O)NC[C@@H]1Cc2ccccc21 116972104 LCJKTEHPAQURKI-AAEUAGOBSA-N 244.338 2.590 30 20 BFED C=CCCCN1CCC[C@@H]1CN1CCCCC1 117878460 ZFNUOOOJGUJRCT-OAHLLOKOSA-N 236.403 2.903 30 20 BFED CC[C@@H](C#N)Nc1cc(F)c(OC)cc1OC 122257032 ALQQBPAGTYASSJ-QMMMGPOBSA-N 238.262 2.557 30 20 BFED Cc1nc(NC(=O)C2(C#N)CC(C)C2)sc1C 122354596 JYYHJTMJOJTZNC-UHFFFAOYSA-N 249.339 2.638 30 20 BFED C=CCCC(=O)NCCc1ccc(CC)cc1 123214161 ZLNPSQHXDVBAMC-UHFFFAOYSA-N 231.339 2.874 30 20 BFED CC[C@H](C#N)Sc1nnc(OC(C)C)s1 127545645 ZLMUPSBXXFWUGL-SSDOTTSWSA-N 243.357 2.720 30 20 BFED C=C[C@H](C)NC(=O)NCCC1=CCCCC1 130719203 WKWVQGHULURYNB-NSHDSACASA-N 222.332 2.751 30 20 BFED CSCC[C@H](C)NCc1cc(C#N)cs1 135493135 CMPUZQSJACYIGV-VIFPVBQESA-N 240.397 2.851 30 20 BFED C=C(C)COCCNC(=O)C[C@@H]1CC[C@@H](C)C1 136160511 DKJBQCMWFCEBQB-CHWSQXEVSA-N 239.359 2.522 30 20 BFED CCCC(=O)N[C@H](CCC#N)c1ccccc1 153591260 RMVMDOVBVFGLNV-CYBMUJFWSA-N 230.311 2.948 30 20 BFED C=CCN(C)C(=O)N[C@@H]1CCC[C@H](CC)C1 155072097 LIRGOTDBLSIALD-NWDGAFQWSA-N 224.348 2.783 30 20 BFED C=CCN1CC[C@@H](c2ccc(OC)cc2)C1 155224484 RIRVOWWZUGPKED-CYBMUJFWSA-N 217.312 2.671 30 20 BFED C=C(C)CNC(=O)NC1CC(c2ccccc2)C1 156337697 OKRACOPAYKHHCI-UHFFFAOYSA-N 244.338 2.808 30 20 BFED C#CCCCCNC(=O)c1ccc(SC)cc1 156499505 BBRQBCAWLNSFSS-UHFFFAOYSA-N 247.363 2.942 30 20 BFED C=CCN(C)C(=O)c1ccc(OCC2CC2)cc1 161609267 VUPREENRDYIGPP-UHFFFAOYSA-N 245.322 2.733 30 20 BFED C=CCCNC(=O)c1ccc(CC)s1 168931761 FUBVBHAVONEXLL-UHFFFAOYSA-N 209.314 2.616 30 20 BFED C#CCCOC(=O)/C=C/c1ccc(Cl)s1 170717494 AQUXNQPREPXRCY-FNORWQNLSA-N 240.711 2.981 30 20 BFED C=CCCN(CC)C[C@@H]1COc2ccccc2O1 172619203 UFRHCJCEZAYVJR-CYBMUJFWSA-N 247.338 2.724 30 20 BFED C=CCCOC(=O)c1cnc(CCC)s1 174059011 DZRUEBAKNJFFMW-UHFFFAOYSA-N 225.313 2.829 30 20 BFED CCOC(=O)[C@H](C)Sc1cccc(C#N)c1 177107230 IVODLESUFQKPMF-VIFPVBQESA-N 235.308 2.602 30 20 BFED C=C(C)CN(C)Cc1ccccc1C#N 181245408 PMXLYTRMKBUKFS-UHFFFAOYSA-N 200.285 2.566 30 20 BFED C=C(C)CN(C)C(=O)Nc1cccc(COC)c1 181559090 WHGSJEGGSJKGLB-UHFFFAOYSA-N 248.326 2.873 30 20 BFED CC#CCCCC(=O)Nc1cnccc1C 185477696 JITGZKFJFUDOBP-UHFFFAOYSA-N 216.284 2.522 30 20 BFED CC#CCCN(C)[C@@H](COC)Cc1ccccc1 191507786 BLLYKLBRJOIRDQ-MRXNPFEDSA-N 245.366 2.589 30 20 BFED C[C@H](C1CC1)N(C)C(=O)Nc1cccc(C#N)c1 192559967 KKRJCILFTRWSAV-SNVBAGLBSA-N 243.310 2.820 30 20 BFED CCN(CC(C)C)C(=O)c1cccc(CC#N)c1 192571932 HMSIPKCYZZPTCL-UHFFFAOYSA-N 244.338 2.871 30 20 BFED CCCCCCCCN1C(=O)NC(C)(C)C1=O 192764813 BOFUZBRKQUMVPM-UHFFFAOYSA-N 240.347 2.677 30 20 BFED N#Cc1c(F)cccc1OC/C=C\Cl 211231336 CKCQRTSFVUCQHQ-DJWKRKHSSA-N 211.623 2.829 30 20 BFED C#CCCCCC(=O)Nc1ccc(O)cc1C 222963212 UHFISWBICQGUDP-UHFFFAOYSA-N 231.295 2.833 30 20 BFED CCC(CC)(OC)c1noc(CCCC#N)n1 232874952 GCAMGFLGIMFAIG-UHFFFAOYSA-N 237.303 2.578 30 20 BFED C[C@H](C#N)N(C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 251023119 FGWXBZOGLOXPBD-AAVRWANBSA-N 248.370 2.963 30 20 BFED COc1cccc(/C=N\C2CCCC2)c1O 255334690 DXFKECASSNIUAB-ZROIWOOFSA-N 219.284 2.762 30 20 BFED C[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)CC1 260084563 BNKPRMPOCNODKY-AGIUHOORSA-N 206.333 2.801 30 20 BFED C[C@H]1C[C@H]1/N=C(/N)Nc1cccc2c1CCCC2 262447592 JBOPKZLPXUQHDE-IINYFYTJSA-N 243.354 2.700 30 20 BFED CC[C@H](OC)C(=O)O[C@H](C)c1ccc(C#N)cc1 267170245 UIIPXZKBLZVPKD-MFKMUULPSA-N 247.294 2.587 30 20 BFED CCCCCCCCNC(=O)c1cocn1 269956953 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N#C[C@@H]1CC[C@H](N2CCc3c(F)cccc3C2)C1 293678066 ASLFEFVUHXJIHW-YPMHNXCESA-N 244.313 2.876 30 20 BFED CC1(C)CN(c2ncccc2C#N)[C@@H]2CCC[C@@H]21 294150858 QYUXYMTWHUCCQZ-QWHCGFSZSA-N 241.338 2.968 30 20 BFED N#Cc1ccc(S[C@H]2CC[C@H](C#N)C2)nc1 295685047 HPBQXBPELXFJCJ-ONGXEEELSA-N 229.308 2.738 30 20 BFED C[C@H](CC(=O)N(C)CCC#N)c1ccc(F)cc1 298970539 NBDYRKSRHPEVDA-LLVKDONJSA-N 248.301 2.691 30 20 BFED C=C[C@H](C)Nc1nnc(C(C)(C)C)s1 301742536 FNKBWHBCQARHPM-ZETCQYMHSA-N 211.334 2.822 30 20 BFED N#Cc1cncnc1NCCC1=CCCCC1 302547959 RONZIHKUKYAYCL-UHFFFAOYSA-N 228.299 2.651 30 20 BFED C=CCN(CCOC)c1nc2ccccc2s1 302651444 BSFQFZNRUMHKPS-UHFFFAOYSA-N 248.351 2.935 30 20 BFED Cc1cc(C#N)cc(NC(=O)COC(C)(C)C)c1 308103849 IIJNYXHPVXINRJ-UHFFFAOYSA-N 246.310 2.620 30 20 BFED CC(C)[C@H](C#N)C=NOC/C=C\Cl 308143361 KCXXIWBQNWXMEB-CHCBJCODSA-N 200.669 2.537 30 20 BFED CCC(CC)NN=C1CSC[C@H]1C 308237499 RJSQUXXCMBTFTR-MRVPVSSYSA-N 200.351 2.504 30 20 BFED CC#CCCNCc1ccsc1Cl 308322071 BXLXFNKKCWJFFH-UHFFFAOYSA-N 213.733 2.905 30 20 BFED Cc1ncc([C@@H](C)NCC2(CC#N)CC2)s1 309527547 CWJJABLYUXFIDX-SECBINFHSA-N 235.356 2.796 30 20 BFED N#Cc1ccnc(N[C@H]2CCC(F)(F)C2)c1 309595579 IFZDEGAGYYIIQV-VIFPVBQESA-N 223.226 2.553 30 20 BFED COCC#CCN[C@@H](C)c1ccccc1Cl 309658359 QPXZPXPJHGYDLS-NSHDSACASA-N 237.730 2.640 30 20 BFED C=CCCNc1ccc2c(c1)C[C@@H](OC)C2 309665768 TZFZGWPQMDRVFW-AWEZNQCLSA-N 217.312 2.788 30 20 BFED CC[C@H](CC#N)NCc1cc(F)ccc1OC 310292036 RUIBZEJRKACTPC-GFCCVEGCSA-N 236.290 2.616 30 20 BFED Cc1cc(C)c(C)c(OCCO[C@@H](C)C#N)c1 310315367 WLWZGOZEZLSVDX-LBPRGKRZSA-N 233.311 2.919 30 20 BFED Cc1nc(CC2CC2)oc1/C(O)=N/[C@@H]1C[C@H]1C 330016203 PENRDRYXRSCVLM-GMSGAONNSA-N 234.299 2.649 30 20 BFED N#CCCCNC(=O)N[C@H]1C[C@H]1C1CCCCC1 331481847 NKAQQRCJYBKHND-STQMWFEESA-N 249.358 2.558 30 20 BFED CC[C@H]1CC[C@@H](C)N1C(=O)NCC1(C#N)CCC1 334973611 FYCNBFBXBZMQIE-NEPJUHHUSA-N 249.358 2.653 30 20 BFED N#Cc1ccc(C(=O)N2CCCC3(CC3)C2)s1 335370401 NQILDESZLASSMA-UHFFFAOYSA-N 246.335 2.636 30 20 BFED 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232.258 2.826 30 20 BFED C=C(Br)COC(=O)CC(C)(C)C 379322531 JRWBGZBQIQJNEY-UHFFFAOYSA-N 235.121 2.874 30 20 BFED C=C(C)CCNCc1cccc(C)c1O 395762646 VOEOQJYNGJUNGO-UHFFFAOYSA-N 205.301 2.756 30 20 BFED Cc1ccc(CNc2snc(C)c2C#N)nc1 400983456 LJROXCJZPCEAQG-UHFFFAOYSA-N 244.323 2.639 30 20 BFED CC[C@@H](Nc1cncc(C#N)n1)c1ccccc1 401329737 PEACJYBVPAHQNS-CYBMUJFWSA-N 238.294 2.911 30 20 BFED C=CC(C)(C)c1nc([C@H](N)CC(C)C)no1 414621832 MGNWALFCZXPHNV-SECBINFHSA-N 223.320 2.579 30 20 BFED C=CCCCC[C@H](C)NC[C@H](N)C(C)C 423274164 LMMLFMXQSOHXFQ-STQMWFEESA-N 212.381 2.694 30 20 BFED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1CCC1 425123104 DGPPMDIYMZPBEW-LLVKDONJSA-N 242.322 2.878 30 20 BFED Cc1cnc(COc2ccc(C#N)c(C)c2)cn1 434648092 JZZOAWVMVXKEAO-UHFFFAOYSA-N 239.278 2.544 30 20 BFED C[C@@H](C#N)C(=O)N(CC1CC1)c1ccccc1 438976838 JDCGQYCFYDKNPS-NSHDSACASA-N 228.295 2.589 30 20 BFED CSCCCN1CCCC(C)(C)[C@H]1C#N 444723303 UYHPTXHPZGACMI-LLVKDONJSA-N 226.389 2.754 30 20 BFED C=C(CC)CN[C@H](c1cnn(C)c1)C(F)(F)F 447374305 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30 20 BFED C=C(C)CCNC(=O)/C=C\C1CCCC1 493392646 AYKLNSUJVZGXSO-FPLPWBNLSA-N 207.317 2.815 30 20 BFED N#Cc1c(Br)ncc2c1CCCC2 514260798 GKRSPVWPFFZZAK-UHFFFAOYSA-N 237.100 2.595 30 20 BFED CSc1ccc(C)c(C(=O)NC[C@@H](C)C#N)c1 521067585 PKBCVDNHUKGXJH-VIFPVBQESA-N 248.351 2.606 30 20 BFED C=CCC1(C(=O)Nc2cnc(O)c(C)c2)CCC1 521601920 KNJAZJCSVKRTMX-UHFFFAOYSA-N 246.310 2.781 30 20 BFED C=C(C)CN[C@@H](c1ccc(OC)nc1)C1CC1 528845543 FWKVXNOBJGIHMT-CQSZACIVSA-N 232.327 2.707 30 20 BFED N#CCC1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 543782387 YJGSXURGCKBYBY-SOUVJXGZSA-N 230.355 2.824 30 20 BFED N#CCc1ccccc1NC(=O)[C@@]12CCC[C@@H]1C2 562944513 PROWSAIIDHCNTJ-IUODEOHRSA-N 240.306 2.881 30 20 BFED CCC[C@H](C)[C@H]1CCCN1c1cc(C#N)ncn1 572582060 NTIKHEGGCMRXRN-WCQYABFASA-N 244.342 2.753 30 20 BFED C=CC[C@H](C)NC(=O)N[C@H]1CCC[C@@H](F)C1 572995929 ZLSBCABNHGBVBM-AXFHLTTASA-N 228.311 2.531 30 20 BFED C[C@H](CCC#N)N1CC[C@H](c2cccnc2)C1 577277814 AKWRXKMTFDEGIY-OCCSQVGLSA-N 229.327 2.563 30 20 BFED CCc1cnc(COc2ccc(C#N)c(C)c2)o1 584817892 PUQWJASSVDOUAE-UHFFFAOYSA-N 242.278 2.996 30 20 BFED CCC[C@H](C)NC(=O)NCC(C)(C)CCC#N 588248878 BOFIZIOKBGJSCD-NSHDSACASA-N 239.363 2.804 30 20 BFED C[C@H]1CN(CC#N)CCc2ccc(Cl)cc21 593065718 GUEHDSZKCCATTJ-JTQLQIEISA-N 234.730 2.825 30 20 BFED CC1(CCNC(=O)N2CCC[C@@H](CC#N)C2)CC1 595599821 ZNQBKMHKUODXLY-LBPRGKRZSA-N 249.358 2.512 30 20 BFED N#CCCCN1CC[C@@H]1c1ccc(F)cc1 595705563 VKQQQYCUKHKFPT-CYBMUJFWSA-N 218.275 2.876 30 20 BFED CCC(C)(C)CN=c1[nH]c(C#N)c(Cl)s1 596210925 RTZQQKBITIAWTB-UHFFFAOYSA-N 243.763 2.938 30 20 BFED N#CCC1(COc2ccc3c(c2)OCCO3)CC1 596244085 ONKLHTQTWJFUOQ-UHFFFAOYSA-N 245.278 2.530 30 20 BFED CCC(CC)N(CC)C[C@@H](O)CC(C)(C)C#N 598615974 HVZURNPLMMNBLO-ZDUSSCGKSA-N 240.391 2.798 30 20 BFED C[C@@H]1CCC(C)(C)N1C[C@@H](O)CC(C)(C)C#N 598621867 XUKWHNHWKGAKJK-NEPJUHHUSA-N 238.375 2.550 30 20 BFED CC[C@H](C#N)N(C)C(=O)C1CCC2(CC1)CC2 598849912 NPUPILOXFCFWIV-GFCCVEGCSA-N 234.343 2.717 30 20 BFED N#Cc1cc(F)cc(NC(=O)[C@@H]2CC=CCC2)c1 601715428 MVBNKFZBCAGLNU-LLVKDONJSA-N 244.269 2.992 30 20 BFED CC[C@](C)(CN(C)Cc1cccc(C#N)c1)OC 602440790 KPGKGOXNWLYFAO-OAHLLOKOSA-N 246.354 2.805 30 20 BFED Cc1nc(Sc2ccc(C#N)nn2)sc1C 611241141 HUUUUQQBBJBTJK-UHFFFAOYSA-N 248.336 2.573 30 20 BFED CCCC(CCC)C(=O)N1CC[C@@](F)(C#N)C1 615595539 VBWBJWMDYUIGFL-CYBMUJFWSA-N 240.322 2.667 30 20 BFED C[C@@H](c1ccc(F)cc1)N1CC[C@@](F)(C#N)C1 615639804 NIXGLEFTLBFMBN-GXFFZTMASA-N 236.265 2.824 30 20 BFED C=CCN(C(=O)[C@H](C)CCCC)[C@@H](C)COC 617582566 PRJURZBYVOOWEU-OLZOCXBDSA-N 241.375 2.862 30 20 BFED CC[C@@H](NCC(C)(C)CO)c1ccc(C#N)cc1 618572065 QLUJTYJGVNQKEL-CQSZACIVSA-N 246.354 2.617 30 20 BFED C=CCCC(C)(C)NC(=O)[C@@H]1CC1(F)F 620856242 QIQDNJSOLBCDRE-QMMMGPOBSA-N 217.259 2.503 30 20 BFED C=CC(C)(C)C(=O)N1Cc2cccc(OC)c2C1 629113305 YTVLHYCULPAHHX-UHFFFAOYSA-N 245.322 2.750 30 20 BFED C=CCN(C)CCc1nsc2ccccc12 660329530 WYVFIDZHWOHYGA-UHFFFAOYSA-N 232.352 2.957 30 20 BFED C=CC[C@H]1CCCN(Cc2nccs2)C1 661381656 NTGALPMYBKHJPS-NSHDSACASA-N 222.357 2.931 30 20 BFED C=CCN(Cc1nccs1)C(C)(C)C 661760455 UDYWOQUUNIBYLJ-UHFFFAOYSA-N 210.346 2.930 30 20 BFED C=CC[C@H]1CCCN(c2cc(C)nc(OC)n2)C1 664253240 KXWBXCSJLSVJLG-LBPRGKRZSA-N 247.342 2.586 30 20 BFED Cc1cnc(CNc2ccc(CC#N)cc2)o1 700376080 YTCARYHEDBKBSN-UHFFFAOYSA-N 227.267 2.661 30 20 BFED C#C[C@@H](NCc1cc(F)ccc1OC)C(C)(C)C 702258359 XHWJTSWYEJKDAY-CQSZACIVSA-N 249.329 2.972 30 20 BFED C#CCOc1cccc(OC(=O)/C=C/C=C/C)c1 730501012 VLVZLAMAUOXHSY-YBRHCDHNSA-N 242.274 2.736 30 20 BFED C=CCCC(=O)Oc1cc(C(=O)O)ccc1C 736097252 BLXBKYQSXBLIQV-UHFFFAOYSA-N 234.251 2.565 30 20 BFED COCCON=Cc1c(C)cc(C)cc1C 748788687 AKVTYNSANPLQLP-UHFFFAOYSA-N 221.300 2.609 30 20 BFED C=C(C)CN(CC)C(=O)Nc1cc(C)ns1 749239870 MYCLFYUYMKEDFQ-UHFFFAOYSA-N 239.344 2.881 30 20 BFED C=CC[C@@H](C)NC(=O)Nc1cc(C)ns1 749243130 YSLMGBCEJWBNBX-SSDOTTSWSA-N 225.317 2.538 30 20 BFED CC(C)CON=C1[C@H]2CCCO[C@H]2C1(C)C 749625892 JYQJTUVPNUUEHM-ZYHUDNBSSA-N 225.332 2.850 30 20 BFED N#CCCCCOC(=O)/C=C\c1cccc(O)c1 753464567 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232.327 2.687 30 20 BFED C=CCNC(=S)N1CCC[C@H](CC(C)C)C1 759126913 HITFNDKTBWRXDF-GFCCVEGCSA-N 240.416 2.805 30 20 BFED C[C@@H](NCc1ccc(C#N)cc1)c1ccc[nH]1 760446361 SMQZAQIMSZURED-LLVKDONJSA-N 225.295 2.737 30 20 BFED COc1cc(F)ccc1NN=C[C@@H]1C[C@@H]1C 761884508 HOZVRURHZMLTEM-IUCAKERBSA-N 222.263 2.888 30 20 BFED C#CCCc1noc(C[C@H](C)CCC)n1 761998830 ITJYTXRKUUCJTH-SNVBAGLBSA-N 206.289 2.614 30 20 BFED CC#CCCOC(=O)c1c(O)cccc1Cl 765461268 OTQRKAWBGKLVJH-UHFFFAOYSA-N 238.670 2.616 30 20 BFED C=CCN(CCCCn1ccnc1C)C(C)C 767348488 GWLRPIVGGUWXDU-UHFFFAOYSA-N 235.375 2.868 30 20 BFED CCCCCCCCCC=Nn1cnnc1O 770614525 GZDDHQCTYKCTGP-UHFFFAOYSA-N 238.335 2.958 30 20 BFED Cc1cnc(CN(CCC#N)CC(C)C)s1 772184008 SKBPCEANHPOQDG-UHFFFAOYSA-N 237.372 2.823 30 20 BFED Cc1ccc(C(=O)/C=C\c2ccn(C)n2)c(C)c1 773155739 YSTPHYKNWWREHY-ALCCZGGFSA-N 240.306 2.933 30 20 BFED CC(CCc1ccco1)=NOC1CCOCC1 774436260 XTIAZWPFQSCRMZ-UHFFFAOYSA-N 237.299 2.784 30 20 BFED CCC(CC)CNN=Cc1cccc2c1OCO2 774460358 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C=CCCc1noc([C@H](C)CSC)n1 297470264 YNVMJKVPPAQNNQ-MRVPVSSYSA-N 212.318 2.655 30 20 BFED CC/C(N)=N/OCc1cc(C)sc1C 299345307 PNQMFWYYKYQVDP-UHFFFAOYSA-N 212.318 2.564 30 20 BFED C=C[C@H](Nc1ccc2ccccc2c1)C(=O)OC 305983944 IIBTYZSNCSBPMY-AWEZNQCLSA-N 241.290 2.979 30 20 BFED Clc1csc(C=NOCC2CC2)n1 308397314 FSJYMWZFAVVFBI-UHFFFAOYSA-N 216.693 2.557 30 20 BFED CC#CCNC1(c2ccc(Cl)cc2)CC1 308988821 KOTLTTHSQXNRFP-UHFFFAOYSA-N 219.715 2.942 30 20 BFED C[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@@H](C#N)C1 309093794 BZMTYIQAGDVJDG-LPWJVIDDSA-N 206.333 2.847 30 20 BFED CCC(C#N)(CC)C(=O)N[C@@H]1CCC1(C)C 309394248 GACABEPHOKCWFF-SNVBAGLBSA-N 222.332 2.621 30 20 BFED C=C[C@H](COC)NC1CCC(C(C)C)CC1 309981315 WGXFQERLEWHXBW-ROKHWSDSSA-N 225.376 2.992 30 20 BFED CC[C@@H](C#N)Nc1cc(F)cc(F)c1OC 310003566 FQZIMAHXDXDUJX-QMMMGPOBSA-N 226.226 2.687 30 20 BFED C=CCC[C@H](CO)NCc1ccc(C)c(F)c1 320923391 CXTXIUDAUGIUOS-CYBMUJFWSA-N 237.318 2.551 30 20 BFED N#C[C@@H]1CCC[C@@H]1/N=C(/O)c1ocnc1C1CC1 329660503 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BFED COCC(C)(C)CNCC(C)(C)CCC#N 336651785 ICXQBTOWKGTTJU-UHFFFAOYSA-N 226.364 2.579 30 20 BFED C=C[C@@H](C)N[C@@H](C)c1cnn(C(C)C)c1C 336731894 FLWBZXDQFZDCLV-MNOVXSKESA-N 221.348 2.998 30 20 BFED C=CCCN[C@@H]1CCCO[C@@H]1CC(C)C 336771501 XNMIYISVIOUYQS-CHWSQXEVSA-N 211.349 2.746 30 20 BFED N#CC1(CSc2cccc([N+](=O)[O-])c2)CC1 337771272 VOGPDTGKCOUOOW-UHFFFAOYSA-N 234.280 2.991 30 20 BFED C=CCC(C)(C)C(=O)NC[C@@H](O)CC(C)(C)C 340468705 LJPFFVWXPWNTQJ-NSHDSACASA-N 241.375 2.502 30 20 BFED C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@@H]1CCCCO1 341320035 XFCQWPILOJNVNP-AVGNSLFASA-N 239.359 2.663 30 20 BFED CO[C@H]1CCCC[C@@H]1Nc1cc(C#N)cc(C)n1 342294890 NXGXKPIZWJVIMO-STQMWFEESA-N 245.326 2.631 30 20 BFED CC(C)c1cnc(CN(C)C[C@@H](C)C#N)s1 346227938 YTMRDEDDKIDNNP-JTQLQIEISA-N 237.372 2.858 30 20 BFED CCCN(CC1CCCCC1)C(=O)[C@@H](C)C#N 347032422 FYEZHDIKPBYDNP-LBPRGKRZSA-N 236.359 2.965 30 20 BFED C=C(CC)CN1CC[C@H](Oc2ccncc2)C1 347111366 QNWKTWJONMTZRT-AWEZNQCLSA-N 232.327 2.501 30 20 BFED CCC(CC)(OC)c1noc([C@]2(C#N)C[C@@H]2C)n1 351128128 XJALRXIKUQVGGI-CABZTGNLSA-N 249.314 2.532 30 20 BFED C=CCCOc1cc(N(C)C)cc(N(C)C)c1 352162580 OVHIYNKVJUXXED-UHFFFAOYSA-N 234.343 2.774 30 20 BFED C=CCN(C)Cc1ncc(CSC)s1 352974360 PUOPAVSVCJZZCF-UHFFFAOYSA-N 228.386 2.624 30 20 BFED C=CCOCc1nc(-c2cc(F)ccc2C)no1 356026008 XQKVOSDSRRQAOE-UHFFFAOYSA-N 248.257 2.887 30 20 BFED C=CCOCCCOc1cccc(COC)c1 358565383 VGVHHFJXMSKAQG-UHFFFAOYSA-N 236.311 2.805 30 20 BFED C=C(C)CNC(=O)Nc1cc2c(cn1)CCCC2 361900623 NZQGWKNWJMQZKF-UHFFFAOYSA-N 245.326 2.658 30 20 BFED CC(C)CN(C(=O)c1ccc(C#N)s1)C1CC1 362926975 FHTHMQLLOFVJDH-UHFFFAOYSA-N 248.351 2.880 30 20 BFED C=CCCCN1CCC[C@@H](OCC2CC2)C1 364435088 QFMAACPZPLUPKF-CQSZACIVSA-N 223.360 2.844 30 20 BFED C=CCCCCCCN[C@@H]1CCO[C@@H]1C 379913284 OFCSDMGHNFPSDO-CHWSQXEVSA-N 211.349 2.890 30 20 BFED C[C@@H]1CN(CC2(CC#N)CC2)C(C)(C)C1 380364522 GYKLAYPIDBSEET-NSHDSACASA-N 206.333 2.801 30 20 BFED C#C[C@@H](NCc1cccc(C)c1F)C(C)C 384558169 RLDREVCUBWCRJS-CYBMUJFWSA-N 219.303 2.882 30 20 BFED C=C(C)C[C@@H](C)C(=O)N(C)[C@H](C#N)CCC 410833473 GXNOTNNTLKIJSF-NEPJUHHUSA-N 222.332 2.739 30 20 BFED CC1(C)[C@@H](NCCC#N)C[C@H]1Oc1ccccc1 411808315 RZQONTWECUNQJX-UONOGXRCSA-N 244.338 2.736 30 20 BFED C=CC[C@H](Cc1ccccc1)N[C@H]1CCO[C@H]1C 414308889 UGZRJYSHJWITKP-IMJJTQAJSA-N 245.366 2.941 30 20 BFED Cc1ccc(CC(C)(C)NC(=O)[C@H](C)C#N)cc1 416284831 ZEMJCHCLUICBGT-GFCCVEGCSA-N 244.338 2.592 30 20 BFED C[C@H]1[C@H](C)CCC[C@H]1CNc1cncc(C#N)n1 420629091 QAUKJUCIHJMCJJ-WOPDTQHZSA-N 244.342 2.832 30 20 BFED C=CCCCC(=O)NCc1cc(C)nc(C)c1 421580108 VQDXCCJOMIIHNF-UHFFFAOYSA-N 232.327 2.671 30 20 BFED C=C[C@H]1CCCCN1C(=O)NC[C@@H](C)CC 422231858 UFSYBTBTEWUHGP-RYUDHWBXSA-N 224.348 2.783 30 20 BFED C=CCCOCCNC1CCC(C(F)F)CC1 442830552 YXTFSBYTLUHOLO-UHFFFAOYSA-N 247.329 2.993 30 20 BFED C=CCC1(C(=O)N[C@H](C)CC#N)CCCCC1 448829356 XUBVEANBYVLPBY-GFCCVEGCSA-N 234.343 2.931 30 20 BFED C=C[C@@H]1OCC[C@H]1NC[C@H](C)c1ccc(F)cc1 449517890 HQCWAOKWKXWCFT-GLQYFDAESA-N 249.329 2.862 30 20 BFED C=C[C@@H]1OCC[C@H]1NCCCc1ccc(C)cc1 451610195 SGOZCVOQOTVPPJ-CVEARBPZSA-N 245.366 2.861 30 20 BFED C=C(CC)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 453005866 BWURIPXPNVNTQG-UHFFFAOYSA-N 248.282 2.599 30 20 BFED C=CCCCCNC(=O)[C@H](C)C1CCC1 457759459 YPTUPMJPGGLWFP-LLVKDONJSA-N 209.333 2.895 30 20 BFED C=C(C)CCNC(=O)N(C)[C@H](C)C(C)C 459019748 NMSLYPSHKDLVKR-LLVKDONJSA-N 212.337 2.639 30 20 BFED Cc1[nH]c(=NCC23CCC(CC2)C3)ccc1C#N 488090771 RLIJNVNJDXDDOM-UHFFFAOYSA-N 241.338 2.676 30 20 BFED C=C[C@@H]1CCCCN1C(=O)CSCCC 488839304 NGGDNZBSWQYZAW-LLVKDONJSA-N 227.373 2.697 30 20 BFED C#CCN(C(=O)[C@@H](C)SC)C1CCCCC1 490590847 WMYDLICZEFWUCV-LLVKDONJSA-N 239.384 2.532 30 20 BFED C#C[C@H](CCC)NC(=O)N1CCC[C@@H]2CCC[C@H]21 491503556 CUPWZUDWMJBTJH-BFHYXJOUSA-N 248.370 2.762 30 20 BFED C#C[C@@H](C)N(C)C(=O)c1c(F)cccc1Cl 491715758 QRXAYLSHKYCLKN-MRVPVSSYSA-N 239.677 2.573 30 20 BFED C#C[C@@H](C)N(C)C(=O)N[C@H](CC)c1ccccc1 491754040 RCTGQPCYNHSGDI-TZMCWYRMSA-N 244.338 2.801 30 20 BFED C#C[C@@H](CC)NCc1ccc(OC)c(OC)c1C 491766030 CZCGYSZPIXIGQG-ZDUSSCGKSA-N 247.338 2.514 30 20 BFED CCON=C(C)C[C@H](C)NC(=O)OC(C)(C)C 494468102 HLCHZUPVQMXDAB-VIFPVBQESA-N 244.335 2.702 30 20 BFED C=CCCCCNC(=O)[C@@H]1C[C@H]1C1CCC1 516930732 YUXVNWQRYPUISX-QWHCGFSZSA-N 221.344 2.895 30 20 BFED C=CCOCCCOc1cccc(F)c1 530315617 CXNOCLWVXTUOAH-UHFFFAOYSA-N 210.248 2.797 30 20 BFED CC[C@@H](N=c1cc(C)[nH]c(C#N)c1)C(C)(C)C 561182468 JUBOCTLEDSEDLB-CYBMUJFWSA-N 231.343 2.920 30 20 BFED Cc1csc(NC(=O)[C@H]2C[C@H]2C)c1C#N 589034918 ZJQJZXGRUXWKQT-SVRRBLITSA-N 220.297 2.523 30 20 BFED CC1(C#N)CN(Cc2cscc2Cl)C1 590967873 KBYGGNSALFULRY-UHFFFAOYSA-N 226.732 2.747 30 20 BFED Cc1cc(N2CC[C@H](C3CCC3)C2)cc(C#N)n1 591204313 QTDUHAIBMFSOPC-ZDUSSCGKSA-N 241.338 2.888 30 20 BFED N#Cc1ncccc1N1CC[C@@H](C2CCC2)C1 591204520 YIYQTAWGWSEGAW-GFCCVEGCSA-N 227.311 2.580 30 20 BFED N#CCCCCN1CCC[C@H]1[C@@H]1CCCOC1 592134938 VEXPIRZRURULGU-KGLIPLIRSA-N 236.359 2.571 30 20 BFED CC[C@H](C#N)C(=O)N[C@H](C)c1ccc(F)c(C)c1 593508625 IEPVLYUETDSZAD-GHMZBOCLSA-N 248.301 2.861 30 20 BFED C[C@]1(C#N)CCCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 593598134 OUSOPXMGYQHDAH-UMVBOHGHSA-N 248.370 2.965 30 20 BFED CC[C@@H](C#N)C(=O)NC1(c2ccccc2C)CC1 593750429 DRGMAYPKBQZQDK-LBPRGKRZSA-N 242.322 2.650 30 20 BFED CCOC[C@@H]1CCN([C@H](C#N)c2ccccc2)C1 595348536 SBWIRLBDCVHRIM-UKRRQHHQSA-N 244.338 2.610 30 20 BFED CCCCOCCCNc1nc(C#N)ccc1C 596055686 KZAWRJVNSFCLMR-UHFFFAOYSA-N 247.342 2.880 30 20 BFED N#CCCCCNC(=O)c1ccc(C2CC2)cc1 597149890 KHWLPQCPHFWEPV-UHFFFAOYSA-N 242.322 2.988 30 20 BFED CC[C@H](CC#N)NC(=O)C[C@H](C)c1ccco1 599760754 ROFQOXBWYAXFQM-WDEREUQCSA-N 234.299 2.582 30 20 BFED CC(C)CN(Cc1cccc(C#N)n1)C1CC1 602443323 CIKGIVZZMMVICD-UHFFFAOYSA-N 229.327 2.574 30 20 BFED C[C@H](CCC#N)CNCC1CCSCC1 602547401 YIUFJCJANNMOFI-LLVKDONJSA-N 226.389 2.659 30 20 BFED Cc1cccc2c1CC[C@H]2N=c1ccc(C#N)c[nH]1 609192860 NUTOYBGYLQNDHZ-OAHLLOKOSA-N 249.317 2.783 30 20 BFED CCN(C[C@H](C)C#N)c1ncc(C#N)cc1Cl 610567009 QXJOJDMCVKCCOJ-SECBINFHSA-N 248.717 2.593 30 20 BFED N#CCN1CCC[C@H]1/C=C\c1ccccc1 611554736 WICQJUFWIKTQFO-CKXPSTMWSA-N 212.296 2.688 30 20 BFED N#C[C@]1(F)CCN(CCCc2ccccc2)C1 615641191 RVOBIPKUGWXCJM-CQSZACIVSA-N 232.302 2.557 30 20 BFED CC#CCCSCc1cccc(C(=O)OC)n1 618501452 XPFCRZHCPRQEHB-UHFFFAOYSA-N 249.335 2.515 30 20 BFED C=CCC(CC=C)C(=O)N1CC[C@@H]2C[C@@H]2C1 619360837 LNSFAOUOTPGCSF-CHWSQXEVSA-N 219.328 2.623 30 20 BFED C=CCC[C@@H](CO)N[C@@H](C)Cc1cccs1 648821172 RJJYXYCPYMNKQR-RYUDHWBXSA-N 239.384 2.596 30 20 BFED C=CCCNCc1ccc(N(C)C(C)C)nc1 657583275 HUCUXYQYIGDEKJ-UHFFFAOYSA-N 233.359 2.592 30 20 BFED C=CC[C@@H]1CCCC[C@@H]1NCc1ncnn1CC 658000353 ZRDFMXQAUATYPK-OLZOCXBDSA-N 248.374 2.523 30 20 BFED C=C1C[C@@H]2CC[C@H](C1)N2c1cc2c(nn1)CCC2 664571495 IAAJEURKVQANIS-BETUJISGSA-N 241.338 2.653 30 20 BFED C=CCC[C@H](N[C@H]1CC[C@@H](CO)CC1)C1CC1 671497782 HWVRZYVDVCAJDO-CFVMTHIKSA-N 237.387 2.872 30 20 BFED C=C1CCN([C@@H](C)c2cnc(C)nc2C)CC1 682070796 AQXMDYPRWMJHRT-LBPRGKRZSA-N 231.343 2.806 30 20 BFED C=CCN(C)Cc1ccc2cnccc2c1 683839420 FBTLGKNKCFOTKN-UHFFFAOYSA-N 212.296 2.853 30 20 BFED N#C[C@H]1CCCN(CCCC2CCC2)C1 688856933 JGCOIYAWMBTCFU-CYBMUJFWSA-N 206.333 2.802 30 20 BFED COc1cc(C=NNC2CCCC2)cc(OC)c1 727652372 OKRFUENOISVJHU-UHFFFAOYSA-N 248.326 2.570 30 20 BFED C#CCCCOC(=O)c1ccc2[nH]ccc2c1 730922313 YGZCMOUZTFXFGO-UHFFFAOYSA-N 227.263 2.738 30 20 BFED Fc1cccc(C=NOCC2CCOCC2)c1 735488434 MDKMNDXAMMBYGM-UHFFFAOYSA-N 237.274 2.603 30 20 BFED C=CCCCOC(=O)c1cccnc1C 735534501 RRJNXPNNEOIFDI-UHFFFAOYSA-N 205.257 2.513 30 20 BFED C#CCCCNC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 743693460 NWOPYTMJCDOOBK-HZSPNIEDSA-N 248.370 2.668 30 20 BFED C[C@H](CC#N)OC(=O)c1cccc2cc[nH]c12 744135524 MRBOMJUBXMGGCX-SECBINFHSA-N 228.251 2.627 30 20 BFED C=C(C)CCOC(=O)CC[C@H]1CCCCO1 744305151 PJKCBZUVPGSOTM-GFCCVEGCSA-N 226.316 2.845 30 20 BFED CC#CCOC(=O)/C=C(/C)c1ccc(F)cc1 744874065 BPRZVLHEPYYETH-KHPPLWFESA-N 232.254 2.796 30 20 BFED CON=C(C)[C@H](C)c1ccc(OC)cc1 747629453 ITLVXHNHIMAOCA-VIFPVBQESA-N 207.273 2.821 30 20 BFED C=CCN(C(=O)NCC1(CC)CC1)C(C)C 753033930 AFLPVWDLCUNDBC-UHFFFAOYSA-N 224.348 2.783 30 20 BFED CC#CCOC(=O)CCCSC(C)(C)C 754277128 FTCDSTSEBFZWBE-UHFFFAOYSA-N 228.357 2.865 30 20 BFED C#CCCCOC(=O)c1ccc(Cl)c(C#N)c1 754909758 ZMLHHYIBBWJVLD-UHFFFAOYSA-N 247.681 2.782 30 20 BFED C[C@H](NCc1ccc(C#N)cc1F)c1ccc[nH]1 760446834 YMYADXIBHHMZDF-JTQLQIEISA-N 243.285 2.876 30 20 BFED C=CCCC(=O)COC(=O)[C@H]1CC12CCCC2 761413089 YVYIMLVTLCECTL-GFCCVEGCSA-N 236.311 2.645 30 20 BFED C#CCCc1noc(Cc2ccccc2Cl)n1 761998769 GHYJETRIERWDSU-UHFFFAOYSA-N 246.697 2.880 30 20 BFED CCCCCC(C)(C)C(=O)OCC#CCOC 762828811 NFRJZRFJXJOMTG-UHFFFAOYSA-N 240.343 2.786 30 20 BFED CC[C@H](C(=O)O[C@H](C)C#N)c1ccc(F)cc1 764645401 GWGCXUPAHBXNER-SKDRFNHKSA-N 235.258 2.775 30 20 BFED C[C@@H](C=NNc1ccccc1[N+](=O)[O-])CCC#N 765991598 CMDVEAAWOLNPCF-SNVBAGLBSA-N 246.270 2.932 30 20 BFED C#CCCOC(=O)C1CCC(C(F)(F)F)CC1 769442873 WVYHEWPRXZFHCH-UHFFFAOYSA-N 248.244 2.922 30 20 BFED CCc1cccnc1C(C)=NNCC(F)(F)F 769825351 RNFSBUIVAHBALV-UHFFFAOYSA-N 245.248 2.520 30 20 BFED C=C(C)CON=Cc1c(F)cccc1F 771656006 VOWHUYPOQZIRPQ-UHFFFAOYSA-N 211.211 2.891 30 20 BFED C=CCN(C(=O)c1scnc1Cl)C1CC1 771819567 SXEFBJJDAAZDLR-UHFFFAOYSA-N 242.731 2.587 30 20 BFED C=CCCCCNC(=S)NC(C)(C)CC 774197277 FSLGNHJGBNXDRC-UHFFFAOYSA-N 228.405 2.995 30 20 BFED Cc1cnoc1C(=O)O[C@@H](C#N)C1CCCCC1 776397884 QQFLIOCTQAKWEH-NSHDSACASA-N 248.282 2.612 30 20 BFED CC(=NN[C@H]1CCOC(C)(C)C1)C1CCC1 780253735 ZLMLKFUEIYVFHL-LBPRGKRZSA-N 224.348 2.710 30 20 BFED C[C@@H]1CC/C(=C/C(=O)N2CCC(CC#N)CC2)C1 782052798 HBRJCSHWSONMLK-POKNLVKOSA-N 246.354 2.885 30 20 BFED CCC(=NN[C@H]1CCCC1(C)C)c1cn[nH]c1 789054677 OYKLCOOQMUWXCB-LBPRGKRZSA-N 234.347 2.692 30 20 BFED CC[C@@H](C)NN=C(C)c1cc(C)ccc1O 790191518 ZPYHWNLFOBFHNC-SNVBAGLBSA-N 220.316 2.813 30 20 BFED CC(=NN[C@H](C)C(C)(C)C)c1cnc(C)nc1C 793112544 UIKAICHSMCBYKZ-LLVKDONJSA-N 248.374 2.842 30 20 BFED CC[C@@H](C)CON=C(C)c1nccnc1C 793158989 KNFNFZDIFOZTHH-SECBINFHSA-N 221.304 2.572 30 20 BFED CC[C@@H](C)CON=CCC1CCOCC1 793160133 UONFAGDSIBGRJT-LLVKDONJSA-N 213.321 2.852 30 20 BFED CC[C@@H](C)CON=C1CN(C(C)C)C[C@@H]1C 793164081 RKVVNQRTQSSIOM-NEPJUHHUSA-N 226.364 2.765 30 20 BFED N#Cc1ccc(C(=O)OCc2ccc(F)cc2)o1 796143560 YILOTYZVWOGIJE-UHFFFAOYSA-N 245.209 2.647 30 20 BFED C[C@H](C#N)OCCSc1cccc(C#N)c1 801657960 MIYUNGCBLCLIPG-SNVBAGLBSA-N 232.308 2.579 30 20 BFED C(=NN[C@H]1CCSC1)[C@@H]1C[C@H]2CC[C@H]1C2 807999848 WLDUQENIMSGLSI-BJDJZHNGSA-N 224.373 2.504 30 20 BFED CC(=NNCC1CCCC1)c1cnccc1C 808007069 NVNCJLMWJWPMTL-UHFFFAOYSA-N 231.343 2.894 30 20 BFED Cc1ccc(C)c(C=NNC[C@H]2CCSC2)c1 811658592 LZJDQEKZMFTAMX-CYBMUJFWSA-N 248.395 2.980 30 20 BFED C=CCCN(C)Cn1nc(C(F)(F)F)cc1C 811766449 QELIFCOSHWYACL-UHFFFAOYSA-N 247.264 2.676 30 20 BFED N#CCCCC(=O)OCc1ccc2c(c1)CCC2 812616561 HTQLGNSYJABYRT-UHFFFAOYSA-N 243.306 2.912 30 20 BFED C#Cc1cncc(C(=O)N(CC)C(CC)CC)c1 813855511 PNXYROFQIRJNRK-UHFFFAOYSA-N 244.338 2.714 30 20 BFED COC(=O)C(C)(C)CC=NNc1ccccc1 814684278 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241.294 2.786 30 20 BFED C=C(C)CN[C@@H](c1cccs1)C(C)(C)CO 289482403 ZYSDSEQPCPDBTF-LBPRGKRZSA-N 239.384 2.973 30 20 BFED CC[C@@H](C)CONc1ccc(C#N)c(C)n1 291648878 BUZFOGWADCEFBY-SECBINFHSA-N 219.288 2.651 30 20 BFED C=CCN(CCC#N)[C@@H](C)c1nc(C(C)C)no1 292077035 DEHOOPNIWJYQEO-NSHDSACASA-N 248.330 2.656 30 20 BFED N#C[C@@H]1CC[C@H](N2CCc3ccsc3C2)C1 293859774 RVJGGRKOUWCTFZ-PWSUYJOCSA-N 232.352 2.798 30 20 BFED C#Cc1cccc(NC(=O)N2CCC[C@H]2CF)c1 296343458 MOGIPVCHJCVBJH-ZDUSSCGKSA-N 246.285 2.634 30 20 BFED C=CCCc1noc([C@H]2CCC(=O)C[C@@H]2C)n1 297166098 DDWDJPDNFOHAAG-ONGXEEELSA-N 234.299 2.661 30 20 BFED C[C@@H](CCC#N)N1Cc2ccccc2O[C@H](C)C1 298540553 XJMNVCLOTIOTPL-QWHCGFSZSA-N 244.338 2.962 30 20 BFED C#C[C@@H](NC(=O)C1(CC)CCCC1)C(C)C 301017476 ZZEDNQBRBUZLRX-GFCCVEGCSA-N 221.344 2.731 30 20 BFED Cc1cc(Cl)ccc1OCCO[C@@H](C)C#N 304209381 DQUWXCMPIGNITB-JTQLQIEISA-N 239.702 2.956 30 20 BFED CCc1ccccc1C/N=C(/N)N1CCCCC1 304736974 AIZFONRKMSHIFS-UHFFFAOYSA-N 245.370 2.550 30 20 BFED 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KYSFMGKQWCRBJQ-UHFFFAOYSA-N 226.707 2.610 30 20 BFED Cc1c(C#N)cccc1-c1nc(C2(C)CC2)no1 453293576 DRWBKFBOMNHVIF-UHFFFAOYSA-N 239.278 2.968 30 20 BFED C=CCC[C@H](NC[C@@H]1CC[C@H](C)O1)C1CC1 453408277 MZVUHWRCWVMHPG-UBHSHLNASA-N 223.360 2.888 30 20 BFED C=C(CC)CNC(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 455529046 GOFYVYSLUHGKFJ-IGQOVBAYSA-N 248.370 2.640 30 20 BFED CC(C)c1ncsc1NC(=O)CCCC#N 456434303 HFBUQZBOMZVHDM-UHFFFAOYSA-N 237.328 2.899 30 20 BFED CCN(CC#N)C(=O)[C@]1(C)CC[C@H](C)C1(C)C 457485944 XEFOYUHNEVNTFH-FZMZJTMJSA-N 236.359 2.821 30 20 BFED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1CCC 462384815 QPINZDVXADZJJN-GRYCIOLGSA-N 209.333 2.894 30 20 BFED C=C[C@H]1CCCCN1C(=O)[C@H]1Cc2ccccc21 488842090 SEDXBZJCDRLMRO-ZFWWWQNUSA-N 241.334 2.893 30 20 BFED CCN(CC#N)C(=O)/C=C\c1ccc(Cl)cc1 491226049 VZCBKCUQWMDGKS-YVMONPNESA-N 248.713 2.725 30 20 BFED C#C[C@H](C)N(C)Cn1cnc2cc(C)c(C)cc21 491254284 RQUAZWJBOUHTSK-ZDUSSCGKSA-N 241.338 2.564 30 20 BFED C#C[C@H](NCc1ccc(C#N)cc1)C(C)(C)C 491454143 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2.513 30 20 BFED CC(C)c1ccccc1NC(=O)N1CC(C#N)C1 590103109 MXJAJCDYPADOAD-UHFFFAOYSA-N 243.310 2.797 30 20 BFED C[C@@H]1SCC[C@H]1NC1CCC(C)(C#N)CC1 592380099 LSTNLCYGBPRNGQ-GMKTYKIGSA-N 238.400 2.942 30 20 BFED CCc1cccc(CN(CC)[C@@H](C)C#N)c1 595820940 QEIZYAPVSIHXIZ-LBPRGKRZSA-N 216.328 2.983 30 20 BFED CC[C@@H](CC#N)NC(=O)CC1(C#N)CCCCC1 597507290 HQMVJDGHNIZTGY-LBPRGKRZSA-N 247.342 2.659 30 20 BFED CC(=O)CS[C@H](C#N)CCc1ccccc1 601078617 NFLZVVFCPCSHDH-ZDUSSCGKSA-N 233.336 2.834 30 20 BFED CCC[C@H](CCO)NCc1ccc(C#N)c(C)c1 601139884 MYXABSJRSWVUFJ-OAHLLOKOSA-N 246.354 2.507 30 20 BFED C[C@H](C#N)CN(Cc1ccc(O)cc1)C1CC1 611526587 VVHSGAUJGKATGY-LLVKDONJSA-N 230.311 2.516 30 20 BFED C[C@@H](C1CCCCC1)N(C)c1ccc(C#N)nn1 618587832 MEHXAJLLQXCDOQ-NSHDSACASA-N 244.342 2.753 30 20 BFED C=C(C)CNC(=O)Nc1ccc(C(=O)CC)cc1 626733479 YLQDPGCZXSLCAD-UHFFFAOYSA-N 246.310 2.977 30 20 BFED C=CC[C@H]1CCN(Cc2cccc(N)c2)C1 629547992 GPSIHOCUHYJZAZ-LBPRGKRZSA-N 216.328 2.667 30 20 BFED C=CCCCN1C[C@@H]2C[C@H]1CN2CCCC=C 640048746 IUFQVMVDNPTTLD-GJZGRUSLSA-N 234.387 2.677 30 20 BFED C=CCCC[C@@H](C)Nc1cc(CO)ccn1 641480720 QZBNRLFAEZOGMY-LLVKDONJSA-N 220.316 2.731 30 20 BFED C=CCC[C@H](CCC)N[C@@H]1CC12CCNCC2 643534334 RHHZTUBTNCGTEM-UONOGXRCSA-N 236.403 2.853 30 20 BFED C=C(C)CCN1CC2(CCOCC2)C[C@@H]1C 646097113 QHYUOSWDNZLROI-ZDUSSCGKSA-N 223.360 2.844 30 20 BFED C=CC[C@H]1CCCN(Cc2ccc(C(=O)O)o2)C1 656760651 WUXXJSJJVBWQLM-NSHDSACASA-N 249.310 2.766 30 20 BFED C=CC[C@@H]1CCCC[C@@H]1NCCC1CC(O)C1 657993006 UVRILXBXACVJNM-JYVUQVBGSA-N 237.387 2.872 30 20 BFED C=CCC1(C(=O)N2CCO[C@H]3C[C@H]32)CCCCC1 661089348 KCQYLSANMGFTMF-OLZOCXBDSA-N 249.354 2.513 30 20 BFED C=C[C@@H](C)N[C@H](C)c1ccc2nc(O)oc2c1 671750410 KUPZZRXSAGMJQY-RKDXNWHRSA-N 232.283 2.759 30 20 BFED COCC#CCN1CCC[C@@H]1CCC(C)C 677819972 FKVVXKKPUDZPGS-CQSZACIVSA-N 223.360 2.537 30 20 BFED C=C1CCN(c2ncnc(Cl)c2CC)CC1 706430426 ABHCTGFUROPKNT-UHFFFAOYSA-N 237.734 2.849 30 20 BFED CCC[C@H](C#N)NC(=O)C12CCC(CC1)CC2 710070079 NAVBJLKNZQJWHM-MBHSVXNSSA-N 234.343 2.765 30 20 BFED C=CCCC(=O)OCCOc1ccccc1C 726650133 MKWNNUZACFWBOP-UHFFFAOYSA-N 234.295 2.883 30 20 BFED Cc1ccc(NN=C/C=C/c2ccccc2)nn1 729935502 BFBIBDCCTFQYSN-WDDQBVTESA-N 238.294 2.896 30 20 BFED C=CCN(C(=O)C1CCSCC1)C(C)C 732933304 GVQDCHFQUFIUCP-UHFFFAOYSA-N 227.373 2.553 30 20 BFED C#CCOc1ccc(CNC(C)(C)C2CC2)cc1 742373529 YXJQKCURWLTKCI-UHFFFAOYSA-N 243.350 2.977 30 20 BFED C#CCOC(=O)[C@H](C)c1cccc(Cl)c1 744040339 MDNRYJKQLVFETR-SECBINFHSA-N 222.671 2.620 30 20 BFED CCCNN=C1CCCc2cc(F)ccc21 747632719 HFCYQZMPNMEPFW-UHFFFAOYSA-N 220.291 2.866 30 20 BFED CC[C@H](C)Oc1cc(C=NOC)ccc1OC 749444208 OCZSNKWMARLBBV-JTQLQIEISA-N 237.299 2.853 30 20 BFED C#CCN1CCC[C@]2(CCCc3ccccc32)C1 753387001 HKNCHZMXLQVUTI-QGZVFWFLSA-N 239.362 2.990 30 20 BFED C=C(Cl)COC(=O)CCc1ccoc1 753496241 RQXUOBOCZRMASB-UHFFFAOYSA-N 214.648 2.508 30 20 BFED C#CC(=O)N[C@@H](CC(C)C)c1ccccc1OC 754059513 KLSJFAGBGBNOAE-ZDUSSCGKSA-N 245.322 2.532 30 20 BFED CC#CCOC(=O)[C@@H]1CCCC(C)(C)C1 756271674 VRZKNYYHRYCYMS-LLVKDONJSA-N 208.301 2.769 30 20 BFED C#Cc1cccc(NC(=S)N[C@@H](C)C=C)c1 756794429 CZZURCJPQZSZPF-JTQLQIEISA-N 230.336 2.529 30 20 BFED C#CCCCC(=O)Nc1cccc(OC)c1F 758034967 RIKFYMBTUIIPRG-UHFFFAOYSA-N 235.258 2.576 30 20 BFED C[C@H](C[C@@H]1CCOC1)/N=C\c1ccccc1O 759643553 MWGHZWUPLCSVGJ-OGJMLENDSA-N 233.311 2.626 30 20 BFED Cc1ccc(C=NNc2ccc(C#N)cc2)nc1 761806205 ULUKRDUFPWUCNR-UHFFFAOYSA-N 236.278 2.708 30 20 BFED C=CCCCSCc1nc(C)cc(O)n1 763214551 CEDORNNZJWSBDA-UHFFFAOYSA-N 224.329 2.690 30 20 BFED COc1nccnc1NN=C1C[C@@H](C)C[C@@H](C)C1 763421698 HJSHBCIFAVNJHJ-AOOOYVTPSA-N 248.330 2.709 30 20 BFED C[C@@H](C#N)OC(=O)[C@@H](C)c1c(F)cccc1F 763826000 JVPBHKVHYPSSKP-YUMQZZPRSA-N 239.221 2.524 30 20 BFED C=C(C)COC(=O)CCc1nc(C)cs1 769496586 DRQFTIJMVROOQT-UHFFFAOYSA-N 225.313 2.503 30 20 BFED Cc1cc(C)cc(C=NNCC(C)C)c1 771557386 DRXFNTUTSIEEDZ-UHFFFAOYSA-N 204.317 2.883 30 20 BFED C#CCCCCC(=O)OCc1ncc(C)s1 773642277 VUUVYTXQENRQLS-UHFFFAOYSA-N 237.324 2.688 30 20 BFED Cc1cc(O)c(C=NOC2CCOCC2)cc1C 774438433 QVKLQWUNNNVAOA-UHFFFAOYSA-N 249.310 2.539 30 20 BFED C#C[C@H](C)N(C)C[C@H]1C(C)=CCC[C@@H]1C 775185208 ZAUVVCHRDNXIKD-IHRRRGAJSA-N 205.345 2.932 30 20 BFED C#C[C@H](N[C@@H]1CCC[C@H](C)[C@H]1C)[C@H]1CCCO1 775573056 FTXGDECDLLMKNT-XPABHHOTSA-N 235.371 2.582 30 20 BFED CC(C)OCCNN=Cc1c[nH]c2ccccc12 778547554 JERHBNLAWSPZKB-UHFFFAOYSA-N 245.326 2.516 30 20 BFED CC#CCOC(=O)[C@@H](C)Cc1ccc(C)cc1 778878731 VDFXUPVWORQFMZ-ZDUSSCGKSA-N 230.307 2.740 30 20 BFED Cc1ccc(C=NN[C@@H]2CCOC(C)(C)C2)cc1 780253708 YSCJKYSUZDHKMS-CQSZACIVSA-N 246.354 2.876 30 20 BFED C[C@@H]1CCCC1=NNc1ncncc1Cl 780283373 UMFVTVYOEQMEGR-SSDOTTSWSA-N 224.695 2.718 30 20 BFED CC#CCCOC(=O)c1cccc(Cl)c1 782148230 ZWHJJLVIOCBZFX-UHFFFAOYSA-N 222.671 2.910 30 20 BFED C#CCOc1ccccc1OCCC1CC1 783558417 NNJDFDBKAVUGRG-UHFFFAOYSA-N 216.280 2.878 30 20 BFED C=C[C@@H]1CCCCN1Cc1ccc(F)nc1 787311941 YPKLJNYHMWHLME-GFCCVEGCSA-N 220.291 2.761 30 20 BFED CCCCCCC=NOC[C@@H]1CCOC1 788035050 XIGYJTFUDLQERE-GFCCVEGCSA-N 213.321 2.996 30 20 BFED COCCCC(C)=NN[C@H](C)C(C)(C)C 793115435 MQDIGTFTWYYCDB-LLVKDONJSA-N 214.353 2.813 30 20 BFED CC[C@H](C)CON=C1CN(C(C)C)C[C@H]1C 793164082 RKVVNQRTQSSIOM-NWDGAFQWSA-N 226.364 2.765 30 20 BFED CC1(CC/N=C/c2cc([N+](=O)[O-])ccc2O)CC1 794834219 RZYCLBSCVLHGDU-NTEUORMPSA-N 248.282 2.910 30 20 BFED C=CCNN=Cc1cc(F)cc(Cl)c1 794999045 VDPYDYFAZVECDL-UHFFFAOYSA-N 212.655 2.589 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccc(C)c(C#N)c1 799635086 JFDUNIVOXOSASU-LLVKDONJSA-N 228.295 2.561 30 20 BFED CC(=NN[C@H]1CCSC1)c1cc(C)oc1C 808000463 NORCRNCZTZSISQ-NSHDSACASA-N 238.356 2.716 30 20 BFED C=C(C)CCOC(=O)c1cnc(C(C)(C)C)nc1 808556757 PJARWDACMHQLHB-UHFFFAOYSA-N 248.326 2.897 30 20 BFED CC(C)OCCON=C1CCc2ccccc21 812240769 RFBZRHRPYGJQIH-UHFFFAOYSA-N 233.311 2.779 30 20 BFED C#Cc1ccc(CN(C)C(C)(C)COC)cc1 814178112 CFTOIDCNBNBFQB-UHFFFAOYSA-N 231.339 2.525 30 20 BFED CCC(=NOCC1CC1)c1c(C)nn(C)c1C 814243123 GXMYBIJUICWGCQ-UHFFFAOYSA-N 235.331 2.578 30 20 BFED CC(Cc1ccc(O)cc1)=NOCC(F)(F)F 814879857 IDYZSNABJUQNRS-UHFFFAOYSA-N 247.216 2.890 30 20 BFED c1cncc(CON=C2CC3(CC3)C2)c1 814884083 NQCAAYSEAVYBBZ-UHFFFAOYSA-N 202.257 2.528 30 20 BFED COC(=O)c1ccccc1NN=C1CC2(CC2)C1 814895590 ZWUMSOXNULDQCK-UHFFFAOYSA-N 244.294 2.815 30 20 BFED C#C[C@H](C)Nc1nc(C2CCCC2)ns1 817120292 GJIPARXQVKLFNS-QMMMGPOBSA-N 221.329 2.629 30 20 BFED COc1cccc(/C=N\[C@@H]2CC[C@H](C#N)C2)c1O 818992631 RSOJSBTYFGKLDW-FRNFYVDWSA-N 244.294 2.512 30 20 BFED C=CCC[C@@H](CC)NC1CCC(C(=O)O)CC1 819713523 PMTKQSWTFKRYLX-OTTFEQOBSA-N 239.359 2.964 30 20 BFED C=C(C)C(C)(C)C(=O)OC[C@]1(C)CCCO1 820256707 GTJLNXWHBPSPOV-ZDUSSCGKSA-N 226.316 2.701 30 20 BFED CC#CCCOC(=O)[C@]1(C)CCc2ccccc21 830271856 XDBLKZKZMXVIPO-MRXNPFEDSA-N 242.318 2.847 30 20 BFED C#CCCNc1cc(C(=O)O)ccc1OC(C)C 833365150 KXHDHNBGJXLAEV-UHFFFAOYSA-N 247.294 2.607 30 20 BFED C[C@H](C#N)CNN=C1CCc2ccccc2CC1 834965168 KWNNDQLWLQQYRW-GFCCVEGCSA-N 241.338 2.671 30 20 BFED CC(C)ON=C[C@](C)(CN(C)C)c1ccccc1 835002428 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C=C(C)CN(C)C(=O)/C=C\C1CCCC1 843573882 HXOUIOSQXGVVSR-HJWRWDBZSA-N 207.317 2.767 30 20 BFED C#CCCCC(=O)N1CC[C@@H]2CCCC[C@@H]21 843621662 ZHPNHRJQPMOOPI-STQMWFEESA-N 219.328 2.581 30 20 BFED C=C(C)CONC(=O)N[C@@]1(C)CCCC[C@H]1C 845611309 LRZSKNJICJCSMZ-YPMHNXCESA-N 240.347 2.762 30 20 BFED C#Cc1ccc(CN2CCC[C@@H](F)C2)cc1 846119946 KYUZJAMWVVZXHC-CQSZACIVSA-N 217.287 2.602 30 20 BFED CCc1ccc(NC(=N)NCCCCC#N)cc1 849003171 QEVQRBYIKJSGHW-UHFFFAOYSA-N 244.342 2.879 30 20 BFED C=CCN(Cc1nccc(C)n1)C(C)(C)C 852554504 PBCMGPGLHOQPCU-UHFFFAOYSA-N 219.332 2.572 30 20 BFED C[C@@H]1CCCCN1N=C[C@H]1CCSC1 853380907 XVBOWMXSHLNNLU-GHMZBOCLSA-N 212.362 2.600 30 20 BFED c1cnc2c(c1)CCCC2=NOCC1CCC1 853441355 SRRGJOINCHYSSY-UHFFFAOYSA-N 230.311 2.939 30 20 BFED C=CCCONC(=O)c1ccc(C(F)F)cc1 856031267 JJBATHWNIYGECS-UHFFFAOYSA-N 241.237 2.862 30 20 BFED C=C[C@@H](C)N[C@@H]1CCc2ccc(Cl)nc21 857906944 JCGXWQAGLIZICL-PSASIEDQSA-N 222.719 2.886 30 20 BFED C[C@H](CC(=O)OCC(C)(C)C#N)c1ccco1 860645959 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30 20 BFED CC1(C)CC[C@@H](NC(=O)c2cccc(C#N)c2)C1 162592237 WGNYHULFLSQVSX-CYBMUJFWSA-N 242.322 2.867 30 20 BFED N#Cc1ccc(O)c(NC(=O)c2cccs2)c1 176814046 UCIAVYKOPLOJTF-UHFFFAOYSA-N 244.275 2.578 30 20 BFED C=C(C)CS[C@H](C)C(=O)NC(CC)CC 177870177 FLAZQLDXHBDHSK-SNVBAGLBSA-N 229.389 2.989 30 20 BFED C=C(C)CN(C)C(=O)c1cc(F)c(C)cc1F 180436951 NXXXPHOFNFFBTB-UHFFFAOYSA-N 239.265 2.921 30 20 BFED CCCCCC[C@H](C)NC(=O)NC[C@H](C)C#N 182320190 IGFLKSJMXCTQSG-NEPJUHHUSA-N 239.363 2.804 30 20 BFED C#CCC(C)(C)C(=O)NCc1ccc(C)cc1C 185207520 IGQCIVXTSFHLRR-UHFFFAOYSA-N 243.350 2.969 30 20 BFED CCN(C[C@H](C)C#N)C(=O)C[C@H]1CCC[C@@H]1C 185922974 VOSMMISFGRZMRL-FRRDWIJNSA-N 236.359 2.821 30 20 BFED C=C(C)C[C@H](C)C(=O)N(C)[C@H](C)c1cnn(C)c1 186013287 YYQKJBPHWUMYHJ-NWDGAFQWSA-N 249.358 2.542 30 20 BFED C#C[C@H](C)NC(=O)c1cc2c(s1)CC[C@@H](C)C2 186072513 WRRYNFNTWSFHJG-ZJUUUORDSA-N 247.363 2.624 30 20 BFED C#CCN(C)C(=O)c1ccc(O[C@H](C)CC)cc1 191174811 VJCJFFVIPAMGMJ-GFCCVEGCSA-N 245.322 2.569 30 20 BFED 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30 20 BFED CC#CCCCC(=O)NCC[C@H](C)CC 617639587 IUPZCORQILPZDW-GFCCVEGCSA-N 209.333 2.732 30 20 BFED C=CC[C@@H]1CCCN(C(=O)C2(C)CC2)C1 617782379 DMDORLUFPMQUCN-LLVKDONJSA-N 207.317 2.601 30 20 BFED C=CC[C@H]1CCCN(C(=O)c2cc[nH]c2C)C1 617783432 ZZBDJLLASRJHAS-LBPRGKRZSA-N 232.327 2.751 30 20 BFED CC[C@H](COC)N[C@@H]1CCc2cc(C#N)ccc21 618805209 DWXCIFIAIDJPOK-UKRRQHHQSA-N 244.338 2.560 30 20 BFED C=CCN(C(=O)c1cccc(C)n1)C(C)(C)C 622943807 RPIORSOZGFUJFS-UHFFFAOYSA-N 232.327 2.817 30 20 BFED C=CCCCCCn1cc(C(C)(C)OC)nn1 641045112 KYBTZKOQINRAKN-UHFFFAOYSA-N 237.347 2.906 30 20 BFED C=CCN(C(=O)c1cc(C)[nH]n1)c1ccccc1 647741858 MOUKTYAYKQTAFS-UHFFFAOYSA-N 241.294 2.551 30 20 BFED C=CCCCNC(=O)[C@@]1(C)CCc2ccccc21 648376170 SCMPRZHYSRUULC-INIZCTEOSA-N 243.350 2.973 30 20 BFED C=CCCCCN(C)CCN1CCCCC1 649889494 AKPIECHPFNBEIU-UHFFFAOYSA-N 224.392 2.760 30 20 BFED C=C(C)Cn1c(C)nnc1N(CC)[C@H](C)CC 669303175 BEMDYFFJLIBIIL-LLVKDONJSA-N 236.363 2.787 30 20 BFED CCc1cc(NCCO[C@H](C)C#N)ccc1F 690098401 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MAHWBVATMPYEAP-SNVBAGLBSA-N 249.335 2.857 30 20 BFED C[C@H](CC(C)(C)C)OC(=O)c1cccc(C#N)n1 835703454 CSNOVCIWHFDMSN-SNVBAGLBSA-N 246.310 2.935 30 20 BFED N#C[C@H]1CCC[C@@H](OC(=O)C=C2CCC2)C1 839053072 IEKNKPKWFARKOH-NWDGAFQWSA-N 219.284 2.722 30 20 BFED C[C@@H](CCC#N)N1CC[C@@H](c2ccccn2)C1 839591653 LJVHUBXOZKRUSQ-QWHCGFSZSA-N 229.327 2.563 30 20 BFED C[C@@H](O)CN(C)N=C[C@@H]1CCCC(C)(C)C1 841654502 XNDGHXRGBXPZIK-VXGBXAGGSA-N 226.364 2.501 30 20 BFED C=CCCCSCCC(=O)N1CCCC1 842175465 SBVZHTPMXVHQAH-UHFFFAOYSA-N 227.373 2.698 30 20 BFED CCCON=Cc1c(O)ccc(Cl)c1F 842554088 MVXMITUXWJHWBF-UHFFFAOYSA-N 231.654 2.945 30 20 BFED C=C[C@H](C)ONC(=O)N[C@H](C)c1ccccc1 844283829 HTOCEMDDINRKFZ-WDEREUQCSA-N 234.299 2.553 30 20 BFED C[C@@H](c1cccc(C#N)c1)N1C[C@@H]2[C@H](C1)C2(F)F 844460556 XWOGYLYOIVQKMW-TVYUQYBPSA-N 248.276 2.816 30 20 BFED C=C(Cl)CSCc1cc2n(n1)CCC2 844649643 OIXYENRNCAGTBA-UHFFFAOYSA-N 228.748 2.815 30 20 BFED CC[C@H](CC#N)NCc1ncc(C(C)C)o1 846992383 KVLYBCJLMDEHCX-SNVBAGLBSA-N 221.304 2.580 30 20 BFED C[C@H](C#N)COC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 850901608 SNXFOTLKNYNLLP-NDBYEHHHSA-N 235.327 2.906 30 20 BFED C=CC(C)(C)CCOC(=O)[C@H]1CCC(=O)C1 851301124 SFIAMTQKMXIFDU-JTQLQIEISA-N 224.300 2.501 30 20 BFED CO[C@H](C=NNc1ccc(F)cc1C)C1CC1 853324328 BSVPPPZCMPGNLF-CYBMUJFWSA-N 236.290 2.957 30 20 BFED Cc1c(C=NNC2CC2)c2ccccc2n1C 853333542 MDRYAZFDEFAXQK-UHFFFAOYSA-N 227.311 2.573 30 20 BFED COc1cccc(CC(C)=NOCC2CCC2)n1 853439817 ROPKYKFJFCZLFL-UHFFFAOYSA-N 248.326 2.825 30 20 BFED CC(C)C#CC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 854148533 GJHDJWLMCQGFKQ-XUXIUFHCSA-N 233.355 2.587 30 20 BFED C#C[C@](C)(CC)NC(=O)C[C@@H]1C=CCCC1 854702390 OOWZRMKMSBMFFB-TZMCWYRMSA-N 219.328 2.651 30 20 BFED CC(C)CC1(NC(=O)C#CC(C)(C)C)CC1 856192059 RGSMGNRNHVOQCF-UHFFFAOYSA-N 221.344 2.731 30 20 BFED CCCc1ccc(C=NN(C)CCOC)s1 857209338 CTIOKNMIHLGPFG-UHFFFAOYSA-N 240.372 2.613 30 20 BFED C#CCCc1noc(C[C@@H](C)c2ccco2)n1 858688585 IXEOWARIABEHQU-SNVBAGLBSA-N 230.267 2.575 30 20 BFED CCC[C@@H](OCC)C(=O)Oc1ccc(C#N)cc1 860454294 UYGGOYNJJCBFFX-CYBMUJFWSA-N 247.294 2.669 30 20 BFED C#C[C@@H](OC(=O)C1=COCC1)c1ccc(C)cc1 860964294 MAKQAEYBVPGMIF-CQSZACIVSA-N 242.274 2.517 30 20 BFED C#CC[C@H](CCOC)NC1CCC(C)(C)CC1 862547746 NPPRBVIZEWLMBG-CYBMUJFWSA-N 237.387 2.973 30 20 BFED C#CCCCCCCNCCc1ccccn1 876886035 QPYNEPMBROZZSF-UHFFFAOYSA-N 230.355 2.797 30 20 BFED C=CC(C)(C)CC(=O)Nc1ccn2ccnc2c1 879838303 PNQWLYHRIKXZJG-UHFFFAOYSA-N 243.310 2.875 30 20 BFED C=CC(C)(C)CC(=O)N[C@@H](CC)[C@H](O)C(C)C 880290161 VZWSTNIBFAHWMP-WCQYABFASA-N 241.375 2.500 30 20 BFED C#C[C@H](CCC)NC(=O)Nc1ccsc1C 880398413 HIFABGPLABXHLD-SNVBAGLBSA-N 236.340 2.980 30 20 BFED C=C[C@H](CO)N[C@H]1CCC[C@@H]1c1ccc(C)cc1 895340352 PREGAEPWGBLPKR-OAGGEKHMSA-N 245.366 2.768 30 20 BFED CCc1onc(C)c1/C=C\C(=O)c1cscn1 899366337 KYBNQYJDCBQMKW-PLNGDYQASA-N 248.307 2.898 30 20 BFED C=CCc1ccccc1OC(=O)O[C@@H]1CCOC1 913849177 CFJYNSBSBXKOGN-GFCCVEGCSA-N 248.278 2.719 30 20 BFED CC#CCOC(=O)c1ccsc1C(F)F 924249729 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CC(C)[C@H](C#N)NC(=O)c1cc2c(s1)CCC2 70981152 OFASTAZMRZXVHQ-JTQLQIEISA-N 248.351 2.515 30 20 BFED CCCC[C@@H](CC)C(=O)N[C@H](C#N)C(C)C 79843609 BEKRPCYYUKIRJB-VXGBXAGGSA-N 224.348 2.867 30 20 BFED N#CCCN(Cc1ccccc1C#N)CC1CC1 81043624 QWRWUOZPTQZKCL-UHFFFAOYSA-N 239.322 2.684 30 20 BFED CCOC(=O)[C@H]1O[C@]12CCCC(C)(C)CC2 84324462 SQCPGUVKWXEYHH-MFKMUULPSA-N 226.316 2.677 30 20 BFED C[C@H](CC#N)NC(=O)C1CCCCCCC1 86579711 LKZQKIKRWXRLTJ-LLVKDONJSA-N 222.332 2.765 30 20 BFED C[C@@H]1CCCN(CC2(CC#N)CC2)[C@@H]1C 88259469 LETGEQWCTZCBEV-VXGBXAGGSA-N 206.333 2.801 30 20 BFED N/C(=N\CC1(C2CC2)CC1)NC1CCCCCC1 92278704 XNGYMWQCDQSETP-UHFFFAOYSA-N 249.402 2.804 30 20 BFED N#Cc1ccc(C(=O)/C=C\c2cccnc2)cc1 96305126 LEZFDDNYNFLFAT-YVMONPNESA-N 234.258 2.849 30 20 BFED C=CCCOC(=O)C1(c2ccccc2)CC1 103649303 MBVGITHYCNAUSY-UHFFFAOYSA-N 216.280 2.838 30 20 BFED CCc1sc(C(=O)N[C@H](C#N)C2CC2)cc1C 108840372 BFQGMIKHRSHHMP-SNVBAGLBSA-N 248.351 2.651 30 20 BFED C=CC[C@H](C)NC(=O)CSCCC(C)C 116851281 ANOVRXTYBKPPTR-NSHDSACASA-N 229.389 2.847 30 20 BFED CC[C@@H](C)COC(=O)c1ccccc1OCC#N 124198558 HPTBMUDWPJOFOI-LLVKDONJSA-N 247.294 2.792 30 20 BFED C#CCSCCN[C@H]1CCc2ccccc21 129982444 FCMMVZVCJHBXKZ-AWEZNQCLSA-N 231.364 2.630 30 20 BFED C[C@@H]1CC[C@H](NCc2ccc(OCC#N)cc2)C1 135177678 SORWFBOLNVASTG-OCCSQVGLSA-N 244.338 2.867 30 20 BFED N#CC1CCN(Cc2csc(C3CC3)n2)CC1 135250239 SBBNWQXOULHSMO-UHFFFAOYSA-N 247.367 2.756 30 20 BFED C=CCCC(=O)N1CCCC(C)(C)CC1 155590975 RCFADRDHNVNNOE-UHFFFAOYSA-N 209.333 2.991 30 20 BFED C#CCCCCNC(=O)c1ccc(OC)cc1C 156393887 KQRMMUGSBCTTJJ-UHFFFAOYSA-N 245.322 2.537 30 20 BFED CC1(Nc2ccc(C#N)cc2[N+](=O)[O-])CCC1 159902519 CXTWLAIUBUXXMH-UHFFFAOYSA-N 231.255 2.821 30 20 BFED C=CCN(CC(=C)C)C(=O)OC(C)(C)C 166007894 LIPUTWQQDXHDEL-UHFFFAOYSA-N 211.305 2.986 30 20 BFED C=C(C)COC(=O)[C@H]1CCOc2ccccc21 171057939 MYIRNXGVOGDZNN-LBPRGKRZSA-N 232.279 2.672 30 20 BFED CS[C@H](C(=O)N[C@@H](C)CC#N)c1ccccc1 172530894 QJDQKXQKZWDLPU-JQWIXIFHSA-N 248.351 2.509 30 20 BFED C[C@H]1CCN(CCOc2cccc(C#N)c2)[C@@H]1C 177867720 WPHUJJBBRNGWAI-QWHCGFSZSA-N 244.338 2.667 30 20 BFED C=CC1CCN(Cc2ccccc2O)CC1 179574261 SRKFCDZBNQUYGI-UHFFFAOYSA-N 217.312 2.790 30 20 BFED Cc1c(N[C@H](C)c2cccc(C#N)c2)cnn1C 179859925 HTFWBBXISRHVBR-SNVBAGLBSA-N 240.310 2.773 30 20 BFED C=CCc1ccc(OCCCOC)c(OC)c1 183240125 RFFFAJSORAHERO-UHFFFAOYSA-N 236.311 2.839 30 20 BFED C=CCCC[C@@H](C)NS(=O)(=O)CCCCC 184820448 BRYOINCUWADKOE-GFCCVEGCSA-N 247.404 2.841 30 20 BFED N#Cc1cccc(C(=O)N2CCCC3(CC3)C2)c1 185381531 ZLLYOGKOXMHPKD-UHFFFAOYSA-N 240.306 2.574 30 20 BFED CC#CCCCC(=O)N1CCC[C@H]1CSC 185890505 LPLNGNDLFNWCQH-LBPRGKRZSA-N 239.384 2.534 30 20 BFED C=CCCCC(=O)NCCC[C@H]1CCCCO1 186688678 KQURAZQAHRDYJE-CYBMUJFWSA-N 239.359 2.808 30 20 BFED CCc1ccccc1CC(=O)N[C@@H](CC)CC#N 188801454 ONUYSUBYGSFMSC-AWEZNQCLSA-N 244.338 2.600 30 20 BFED C=CCC1(C(=O)N(CC)C[C@H](C)C#N)CCC1 188862045 DSPOSPAECHOSHC-GFCCVEGCSA-N 234.343 2.741 30 20 BFED CCc1cccc(CN(CCC#N)CCC#N)c1 189768699 ILLBJPJBIIPMNX-UHFFFAOYSA-N 241.338 2.878 30 20 BFED C#CCCCC(=O)Nc1ccccc1CC 192062347 UYOADHJOWSZZCJ-UHFFFAOYSA-N 215.296 2.991 30 20 BFED C[C@H](CC(F)(F)F)Nc1ccnc(C#N)c1 235476112 IQOZQZSEMJHIJU-SSDOTTSWSA-N 229.205 2.706 30 20 BFED Cc1cccc(-c2noc(CCCC#N)n2)c1 235906514 XTNSEVVRMXQXOQ-UHFFFAOYSA-N 227.267 2.891 30 20 BFED C=CCC[C@H](O)CN1CCCC[C@@H]1C(C)C 247666422 YBVQHBAWZVQJHF-UONOGXRCSA-N 225.376 2.824 30 20 BFED Cc1cccc(/C=C\C(=O)c2cnccn2)c1C 255051988 UOEBVSMIMYKPAJ-SREVYHEPSA-N 238.290 2.990 30 20 BFED Cc1ccc(CN2CCC(CCC#N)CC2)cn1 260116743 QQKFOHKAYKVCLS-UHFFFAOYSA-N 243.354 2.906 30 20 BFED C=CCCC(=O)N(CC(C)C)CC(F)(F)F 263720250 XYSVJPLHMUZJIV-UHFFFAOYSA-N 237.265 3.000 30 20 BFED N#CCCCCNc1snc(Cl)c1C#N 264239414 URFQTXZOMWHCSZ-UHFFFAOYSA-N 240.719 2.774 30 20 BFED CC[C@H]1CN(c2cccc(F)c2C#N)C[C@@H](C)O1 264682596 AHDYOSXHROOPOC-MNOVXSKESA-N 248.301 2.701 30 20 BFED COC[C@H]1CCN([C@H](C)c2ccc(C#N)cc2)C1 265842867 WZNVUKGFRPRYQF-OCCSQVGLSA-N 244.338 2.588 30 20 BFED C[C@H](Nc1ccc(Cl)c(C#N)n1)C1CC1 267205471 KHFNCAFTKUNXLO-ZETCQYMHSA-N 221.691 2.817 30 20 BFED N#CCCCCSc1ccc(C#N)cn1 268576846 MWFLEFMYBHUTSB-UHFFFAOYSA-N 217.297 2.739 30 20 BFED C=CCCN(C)CC(=O)Nc1ccc(C)cc1C 276505144 WUCGDWFKTJWTGG-UHFFFAOYSA-N 246.354 2.750 30 20 BFED C=C(CN[C@@H]1CCOC[C@@H]1C)c1ccccc1 280092333 ZDVSQZWLIRBQGF-DZGCQCFKSA-N 231.339 2.714 30 20 BFED C=CC[C@H](CC)NC(=O)c1ccoc1CC 281160010 WTLRVVQBEPWOBR-JTQLQIEISA-N 221.300 2.927 30 20 BFED C=CC[C@@H](CC)NC(=O)Cc1ccc(F)cc1 281281616 HVIWERSETHYEQG-CYBMUJFWSA-N 235.302 2.839 30 20 BFED C=CC[C@@H](CC)NC(=O)Nc1nc(C)c(C)o1 281327791 LRAUVMQLWOKUBR-SNVBAGLBSA-N 237.303 2.768 30 20 BFED CC#CC(=O)NC(C)(C)c1ccc(CC)cc1 283246992 QAZXLTCLMSFLNT-UHFFFAOYSA-N 229.323 2.624 30 20 BFED CO[C@H](C)CN(C)c1cc(Cl)ccc1C#N 286669399 XQNOMZOODGSPEP-SECBINFHSA-N 238.718 2.683 30 20 BFED C#CCCN1CCCn2c(cc3ccccc32)C1 286827379 BIFKKYHVLKAKMC-UHFFFAOYSA-N 238.334 2.870 30 20 BFED Oc1ccccc1/C=N/C[C@@H]1CCCSC1 287017238 GEVUEIVWPSMZAQ-LUHPIMIVSA-N 235.352 2.954 30 20 BFED 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30 20 BFED CCn1nncc1/C=C/C(=O)c1csc(C)c1 841486116 AORZVXJBJDMXRI-SNAWJCMRSA-N 247.323 2.564 30 20 BFED CCC(=NOC1CCOCC1)[C@H]1C[C@@H]1C 841634483 QNOQABPEECGYIP-ONGXEEELSA-N 211.305 2.604 30 20 BFED CCC(C[C@H](C)CC)=NN(C)[C@@H](C)CO 842543662 MQUZHLULLCYRLK-MNOVXSKESA-N 214.353 2.501 30 20 BFED C#CC1CCN(C(=O)/C=C/C(=C/C)CC)CC1 844045607 MXJYLNRNWNRLEN-HRRRRBOVSA-N 231.339 2.771 30 20 BFED C=C[C@H](C)ONC(=O)N(CC1CCC1)C(C)C 845622168 KOGWANUEKNDNJU-NSHDSACASA-N 240.347 2.713 30 20 BFED COc1ccc(NC2CCCC2)cc1C#N 846745976 VPNBZXCHOUSISN-UHFFFAOYSA-N 216.284 2.921 30 20 BFED C=CC(C)(C)C(=O)NN1CCCc2ccccc21 847048644 YNUXHFZWKGDBQP-UHFFFAOYSA-N 244.338 2.683 30 20 BFED CC(=NN[C@H]1CCCC1(C)C)c1cncnc1C 848410031 HAMNLQVSVWOKAS-ZDUSSCGKSA-N 246.358 2.677 30 20 BFED C=C(C)[C@H](C)OC(=O)c1ccc2c(c1)CCOC2 850946837 ZSQKVFIJOMXQCQ-NSHDSACASA-N 246.306 2.881 30 20 BFED CSC1(C(=O)O[C@H](C)CC(C)(C)C#N)CC1 851207264 VEJASLFUDPWKOE-SECBINFHSA-N 241.356 2.754 30 20 BFED CC[C@H]1COCC1=NNCC1(C)CCCC1 853348508 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224.348 2.566 30 20 BFED C#CC1CCN(Cc2cn(C(C)C)nc2C)CC1 843426990 PXTUYAHAGIOPTE-UHFFFAOYSA-N 245.370 2.618 30 20 BFED C=CCN(C(=O)[C@@H]1C[C@H]1C1CCC1)C(C)C 844324545 VYFSTFHWTPVDBS-QWHCGFSZSA-N 221.344 2.846 30 20 BFED C=C[C@@H](C)ONC(=O)Nc1ccc(CC)cc1 844483894 UYCPQJZDVZSTPF-SNVBAGLBSA-N 234.299 2.877 30 20 BFED C=C[C@@H](C)ONC(=O)N1CC[C@@H](C(C)(C)C)C1 845618538 JVVPSNNACGXZRR-GHMZBOCLSA-N 240.347 2.570 30 20 BFED C=C[C@@H](C)ONC(=O)c1sccc1CC 846551752 WRKQUJLUGOEVTQ-MRVPVSSYSA-N 225.313 2.546 30 20 BFED C=CC(C)(C)CCOC(=O)C1=COCCC1 851299535 PRGBQFUYWRGSHW-UHFFFAOYSA-N 224.300 2.826 30 20 BFED C#CCCN(C/C=C/c1ccccc1)CCOC 852752597 DOQKVEGUYCHNFD-DHZHZOJOSA-N 243.350 2.672 30 20 BFED COC1(C=NN2CCCC[C@H]2C)CCCC1 853379885 MZPWMBMGEAABTC-GFCCVEGCSA-N 224.348 2.806 30 20 BFED C#Cc1cccnc1NC[C@H]1CCC(F)(F)C1 853565449 FXXINHCLNXDZDZ-JTQLQIEISA-N 236.265 2.910 30 20 BFED CCC/C=C\C(=O)N1CCc2cc(C#N)ccc21 854943610 PMKUBZPXMSGULP-PLNGDYQASA-N 240.306 2.804 30 20 BFED 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1324298629 QGDSBCKMOMZATP-JTQLQIEISA-N 245.282 2.578 30 20 BFED C#CCON=C1C[C@@H](C)c2c(C)ccc(O)c21 1327609498 JZTMKZRXRWOGPX-SNVBAGLBSA-N 229.279 2.562 30 20 BFED CC[C@@H]1CCC[C@@H]1NC(=O)c1csc(C#N)c1 1330885024 COHMXHLQTTXRGR-SKDRFNHKSA-N 248.351 2.928 30 20 BFED C=C[C@@H](COC)N[C@H](C)c1ccc(F)c(F)c1 1342731958 IFNHSPFNFBZRKF-KOLCDFICSA-N 241.281 2.816 30 20 BFED N#C[C@@H](C(=O)C1CCCCC1)c1cccc(F)n1 1344587118 OKVPUFWCTVNZSW-LLVKDONJSA-N 246.285 2.977 30 20 BFED C=C[C@H](CC)CC(=O)O[C@@H]1CCC[C@H]1OC 1348649649 RWDQJASQSCHSSO-IJLUTSLNSA-N 226.316 2.699 30 20 BFED C[Si](C)(C)C#CCCNC(=O)C[C@@H]1C=CCC1 1354093047 NPTYIYSRURIIKP-CYBMUJFWSA-N 249.430 2.730 30 20 BFED C[C@H](NC(=O)[C@H](C)C#N)C1CCCCCC1 1567420321 KKPBDIULMBABBZ-MNOVXSKESA-N 222.332 2.621 30 20 BFED C#CC[C@@H](N[C@@H](C)CCCCCC=C)C(=O)O 1588421730 NGLYNOWBDRZJJO-QWHCGFSZSA-N 237.343 2.578 30 20 BFED C#CCCCCCNc1cccc(CC(=O)O)c1 1602705384 RTQPFIJNQVILBV-UHFFFAOYSA-N 245.322 2.919 30 20 BFED CC[C@@](C)(C#N)NC(=O)CCCc1ccccc1 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Cc1cccc(C(=O)OCCC(C)(C)C#N)c1N 87594203 VSHIOHYNEPBFLO-UHFFFAOYSA-N 246.310 2.674 30 20 BFED C=CCOC(=O)Cc1ccccc1C(F)(F)F 105514335 JQWTYYRLZPEGQZ-UHFFFAOYSA-N 244.212 2.977 30 20 BFED C[C@H](C#N)CN(C)C(=O)C[C@@H](C)C(C)(C)C 111617639 SZDDGYIDEJQYJV-GHMZBOCLSA-N 224.348 2.677 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccc(C)s1 116854590 ZZMRMYJHFUECJR-MRVPVSSYSA-N 209.314 2.751 30 20 BFED C=CC[C@H](C)NC(=O)NCc1ccc(C)s1 116942336 KNSCTUXFOGGKQM-VIFPVBQESA-N 238.356 2.820 30 20 BFED C=CCCCSc1nnc(C2CC2)n1C 117547572 IALKKHDMHHGRMA-UHFFFAOYSA-N 223.345 2.751 30 20 BFED CC#CCOC(=O)c1ccc(Cl)c(C)c1 119411184 BPMORPZGTWICFO-UHFFFAOYSA-N 222.671 2.829 30 20 BFED C=C(C)CN(C[C@H]1CCCO1)[C@@H]1CCSC1 119880230 NJTHZYYEPWSLFL-CHWSQXEVSA-N 241.400 2.549 30 20 BFED C=C(C)CNC(=O)c1cc(C)c(F)cc1F 123089415 BWSALPRQBFYQGE-UHFFFAOYSA-N 225.238 2.579 30 20 BFED CC(C)CCCNC(=O)c1sccc1C#N 128061542 GMLDIBXQNORABI-UHFFFAOYSA-N 236.340 2.786 30 20 BFED C#CCOc1ccc(C(=O)NC(C)(C)CC)cc1 129318486 AJUZJNAMGWFEEC-UHFFFAOYSA-N 245.322 2.617 30 20 BFED C#CCSCCN[C@H](C)c1ccsc1 130019578 VKLRIHRRQUQZNZ-SNVBAGLBSA-N 225.382 2.765 30 20 BFED CSCCN[C@H](C)c1ccc(C#N)c(F)c1 134001003 GRZNZSXWCLRYPG-SECBINFHSA-N 238.331 2.711 30 20 BFED C=CCC[C@H](C)NC[C@](C)(O)[C@H](C)CC 134920421 UXLFVCQLLWRCGU-AGIUHOORSA-N 213.365 2.728 30 20 BFED C=CCCOCC(=O)Nc1ccc(C)cc1 142762122 FYUZVLLWNPLPBL-UHFFFAOYSA-N 219.284 2.526 30 20 BFED CCCCCCCC(=O)N1CCN(C)[C@@H](C)C1 150018992 LQCWMLIUMMNGDH-ZDUSSCGKSA-N 240.391 2.509 30 20 BFED C=C[C@H](C)NC(=O)CCO[C@@H](C)CC(C)C 154150071 YOVLHVDVKXVZNL-RYUDHWBXSA-N 227.348 2.518 30 20 BFED C=C[C@H](C)NC(=O)c1ccc(OCC2CC2)cc1 154174518 AJLQOPSGNSQWMN-NSHDSACASA-N 245.322 2.780 30 20 BFED C=C[C@@H](C)NC(=O)CCCc1ccccc1 154282481 ZHBFFJCCXWWZMM-GFCCVEGCSA-N 217.312 2.700 30 20 BFED CCCCCO/N=C/C(=O)Nc1ccccc1 159581377 VCTQNKMLHZYUPK-SDNWHVSQSA-N 234.299 2.818 30 20 BFED N#Cc1ccc(N[C@H]2CCO[C@@H](C3CC3)C2)cc1 160425401 NVKZJOQVKXWTOC-LSDHHAIUSA-N 242.322 2.928 30 20 BFED CC1(C)CCC(C(=O)NC(C)(C)C#N)CC1 163725326 SUQLHXKOLUTWQL-UHFFFAOYSA-N 222.332 2.621 30 20 BFED C=CCCNCc1ccccc1OCC 168517339 MCTCNQAPUHTXMG-UHFFFAOYSA-N 205.301 2.751 30 20 BFED CC(C)(C)C[C@H](O)C/N=C/c1ccccc1O 172156732 AYBAFKUPNXBAHD-DGGAMASNSA-N 235.327 2.608 30 20 BFED CCCNc1ccc(C#N)cc1NC(=O)C1CC1 173043022 CATOAXRFMJVHEV-UHFFFAOYSA-N 243.310 2.729 30 20 BFED N#CCC1(COC(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 174736829 MINGYJKUAOLWAI-SRVKXCTJSA-N 233.311 2.660 30 20 BFED C=CCCCC(=O)NCc1ccc(C#N)cc1 175241011 PCGLVNHVXKGRPB-UHFFFAOYSA-N 228.295 2.531 30 20 BFED C=CCCCC(=O)N(C)[C@H](C)c1ccncc1 175355906 QDNMCJNPSVAJNF-GFCCVEGCSA-N 232.327 2.957 30 20 BFED N#Cc1cccc(NC(=O)[C@@H]2C[C@H]2C2CC2)c1 176443496 KYJSDUDHCTXMQW-QWHCGFSZSA-N 226.279 2.543 30 20 BFED C#CCCCN[C@H]1CCCOc2ccccc21 178058708 GVCTUIIJBYONAQ-AWEZNQCLSA-N 229.323 2.903 30 20 BFED CC1(C)[C@H]2CN(Cc3cc(C#N)cs3)C[C@@H]21 179925316 SAXBXJSLONKRPW-RYUDHWBXSA-N 232.352 2.708 30 20 BFED C=C(C)CN(C)Cc1cnc(Cl)s1 181278035 LQOBCDJFUQONAF-UHFFFAOYSA-N 216.737 2.804 30 20 BFED N#Cc1ccc(OCCOCC2CC2)c(F)c1 181699868 MWNSFPQHJXFKJJ-UHFFFAOYSA-N 235.258 2.503 30 20 BFED COCCOc1ccc(C#N)cc1NCC(C)C 181912272 ZZXBNAFGIZXLIG-UHFFFAOYSA-N 248.326 2.651 30 20 BFED C[C@@H]1CCC[C@H](OC(=O)C(C)(C)C#N)[C@@H]1C 182013387 HONDCMFNNGWZTA-MXWKQRLJSA-N 223.316 2.904 30 20 BFED C[C@H](CCC#N)Sc1cc(C#N)ccn1 188297917 MMORBYHSGXRWEY-SECBINFHSA-N 217.297 2.738 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1cccc(C)n1 190659049 NIILHLYOBDJGBE-CYBMUJFWSA-N 218.300 2.931 30 20 BFED CC[C@@H](C)CC(=O)OCC1(C#N)CCC1 192297756 ZHOAHCLCPPOXPE-SNVBAGLBSA-N 209.289 2.660 30 20 BFED Cc1cc(C#N)nc(N[C@H]2CCC[C@@H](C)C2)n1 231896827 XITNDHWGEIHPMD-KOLCDFICSA-N 230.315 2.647 30 20 BFED CC1(C)C[C@H]1Nc1nccc(C#N)c1Cl 232974111 JGWWLBSUHYMXGL-MRVPVSSYSA-N 221.691 2.817 30 20 BFED CC[C@@H](C)C[S@@](=O)Cc1ccccc1C#N 233839732 PZYLUKBURMFVQS-BDJLRTHQSA-N 235.352 2.853 30 20 BFED C#CCCCCNC(=O)NC[C@H]1C[C@H]2CC[C@H]1C2 246632475 OIYLENVSDVJKEQ-MELADBBJSA-N 248.370 2.525 30 20 BFED Cc1cc(C(=O)N[C@H](C#N)CC(C)C)c(C)o1 259708731 SQCLDQUJQVWOAT-NSHDSACASA-N 234.299 2.565 30 20 BFED CC(C)C[C@@H]1C[C@H]1/N=C(\N)N1CCCCCC1 263213004 ZKFHMCRBVNEPGL-CHWSQXEVSA-N 237.391 2.612 30 20 BFED C=CCC[C@H](O)CN(CC=C)CCc1ccco1 272223641 CMLLUCZMTKXOND-AWEZNQCLSA-N 249.354 2.637 30 20 BFED CCN(CC#N)C(=O)[C@H](C)Cc1ccc(C)cc1 272452612 QPMXZWWHSNDAHQ-CYBMUJFWSA-N 244.338 2.546 30 20 BFED Cc1c(Cl)cnc(N(C)C[C@@H](C)C#N)c1C#N 273319924 KCSYPQSORHYZQI-QMMMGPOBSA-N 248.717 2.511 30 20 BFED C=C(C)CNC(=O)C=C1CCC(C)CC1 275387275 YKNKONIRWAIDKK-UHFFFAOYSA-N 207.317 2.815 30 20 BFED C=CCCN(C)C[C@@H](O)c1ccccc1Cl 276506949 WZYRNFIVDQNVPN-CYBMUJFWSA-N 239.746 2.881 30 20 BFED CCN(CC(C)C)C(=O)c1ccc(F)c(C#N)c1 278522273 CTGKPHJURQUXQA-UHFFFAOYSA-N 248.301 2.815 30 20 BFED CC(C)n1nccc1/C=C/C(=O)c1cscn1 280135114 YJMRTOCDXPOUCH-ONEGZZNKSA-N 247.323 2.817 30 20 BFED CC(C)(CCC#N)CNc1cncc(F)c1 281390752 OZKMRCMEVMATGY-UHFFFAOYSA-N 221.279 2.963 30 20 BFED C#CCN(C)C(=O)Nc1cccc(SC)c1C 282702118 SZVJJWSASZZUIB-UHFFFAOYSA-N 248.351 2.814 30 20 BFED CC[C@@]1(C)CCCN(c2nc(C)cc(C#N)n2)C1 288588853 XYBMZKWJRFRNCL-AWEZNQCLSA-N 244.342 2.673 30 20 BFED C=C[C@H](CO)N[C@H]1C[C@@H](C)c2c(C)cccc21 289967043 XGBSFYNSBGYYDB-BZPMIXESSA-N 231.339 2.680 30 20 BFED CCCC[C@@H](C)N(C)c1cc(C#N)ccn1 290707531 LFKSIUOEGOEFCY-LLVKDONJSA-N 217.316 2.968 30 20 BFED C=Cc1ccc(C(=O)N[C@]2(C#N)CC2(C)C)cc1 291498676 UQJGMGLBRWZLNE-HNNXBMFYSA-N 240.306 2.752 30 20 BFED Cc1nc(N[C@@H](C)CF)c(Cl)cc1C#N 292361154 CRHZJZSDKISJLX-LURJTMIESA-N 227.670 2.685 30 20 BFED C=CC(C)(C)C(=O)OCc1cc(C#N)ccc1F 297262295 FQRZQUVFARITRD-UHFFFAOYSA-N 247.269 2.953 30 20 BFED C=CCCc1noc(CC[C@@H]2CC[C@@H](C)O2)n1 297327064 NTBZNPICAIMNMH-MNOVXSKESA-N 236.315 2.688 30 20 BFED C=CC[C@H](CC)NC(=O)NC1(CC)CC1 298547010 ZDCQXTAQUGYEST-JTQLQIEISA-N 210.321 2.583 30 20 BFED CCSCCCNc1nc(C)ccc1C#N 300927578 LZVVVWNJVZJEDH-UHFFFAOYSA-N 235.356 2.817 30 20 BFED C#C[C@H](N[C@H](C)Cc1ccc(OC)cc1)C(C)C 302436596 VYWARNMYQVUKJL-CJNGLKHVSA-N 245.366 2.874 30 20 BFED CSCOc1cc(Cl)ccc1C#N 306626180 HROBKMSVWWSEKG-UHFFFAOYSA-N 213.689 2.911 30 20 BFED CCON=Cc1cscc1Br 307900249 MJKFQGOKEJOECO-UHFFFAOYSA-N 234.118 2.881 30 20 BFED CCc1nc(C#N)cc(NC[C@@H]2CC[C@H](C)C2)n1 308162851 BKGNJUGUKAITBL-WDEREUQCSA-N 244.342 2.759 30 20 BFED N#Cc1ccncc1N[C@H]1CCC(F)(F)C1 309542256 GOVHMQHXUVNRNC-VIFPVBQESA-N 223.226 2.553 30 20 BFED C[C@@H](CC#N)NCCc1c(F)cccc1Cl 309768272 OCLIJRQFOUEFRF-VIFPVBQESA-N 240.709 2.913 30 20 BFED C#C[C@H](CC)NC[C@H](C)c1ccc(F)cc1 310026979 PUTOSFLLCRQPCE-SMDDNHRTSA-N 219.303 2.931 30 20 BFED Cc1ccc([C@@H](C)NCCO[C@H](C)C#N)cc1 310244794 VEFKMMLCTAAQJJ-CHWSQXEVSA-N 232.327 2.574 30 20 BFED N#CCc1cccc(NC(=O)NC2CCCC2)c1 313447978 VAANSUHLTKAPRX-UHFFFAOYSA-N 243.310 2.817 30 20 BFED C=CCC[C@H](CO)NC[C@H]1CCC[C@H](C)C1 320559710 UCDNJUMQCBHSNL-MELADBBJSA-N 225.376 2.729 30 20 BFED Cc1n[nH]c(C)c1N=C(O)[C@@H]1CCC(=O)[C@H](C)C1 328894087 AOPSUZQPJLMBDC-GMSGAONNSA-N 249.314 2.620 30 20 BFED CCc1nc(/C(O)=N/C(C)(C)CC)co1 330861119 VCLYXEWSTQYNAQ-UHFFFAOYSA-N 210.277 2.730 30 20 BFED C[C@H](C(=O)N[C@@H]1CCC[C@H]1C#N)c1ccsc1 331119334 WSLXOOSPPGSFRL-JBLDHEPKSA-N 248.351 2.660 30 20 BFED CCc1occc1/C(O)=N/[C@H](C)c1nc(C)no1 331181599 MZGJUGLWEZLJIZ-SSDOTTSWSA-N 249.270 2.599 30 20 BFED C[C@@H](CC(=O)NCCC#N)C1CCCCC1 331216805 WBDMVQKNXNPYMM-NSHDSACASA-N 222.332 2.623 30 20 BFED CCC1(CNC(=O)N[C@@H]2CCC[C@H]2C#N)CCC1 331560039 IYEAPOBAQAGUJE-NWDGAFQWSA-N 249.358 2.558 30 20 BFED Cc1ccnc(N[C@H]2CCC[C@H]2F)c1C#N 334203133 PLMXVLCPOZKEDJ-MNOVXSKESA-N 219.263 2.564 30 20 BFED C[C@H]1CCN(CC2(C#N)CC2)C[C@H](C)C1 334269226 PKIVSFXPXZJPEJ-NWDGAFQWSA-N 206.333 2.658 30 20 BFED N#CC1(COc2ccc(F)cc2F)CC1 334354313 ZIBNJNUXLQVULV-UHFFFAOYSA-N 209.195 2.647 30 20 BFED Cc1cc(C)n(Cc2cccc(F)c2C#N)n1 335212649 RQIUPEFBFBSMCD-UHFFFAOYSA-N 229.258 2.559 30 20 BFED C=CCNC(=O)c1nc2ccccc2cc1Cl 336009088 YNGPRVMIDXUAQG-UHFFFAOYSA-N 246.697 2.804 30 20 BFED C=CC1CCN(C(=O)c2cc(C3CC3)no2)CC1 336143344 LLLBODBIBVNKGE-UHFFFAOYSA-N 246.310 2.590 30 20 BFED Cc1cccc([C@H]2CCCN2CC2(C#N)CC2)n1 336360886 NRDXVIGNWOKFMH-CQSZACIVSA-N 241.338 2.831 30 20 BFED CC1(C#N)CCN(C(=O)[C@H]2CC23CCCC3)CC1 336387355 YXSJSEWTYQHOBR-GFCCVEGCSA-N 246.354 2.719 30 20 BFED CC1(C)CCCN(Cc2cscn2)[C@H]1C#N 336461218 YAIPDOLMNZCJSN-NSHDSACASA-N 235.356 2.657 30 20 BFED C[C@@H](C#N)CNC(=O)N1CCCC2(CCCC2)C1 336483541 UVQHKBQMEUBNQO-LBPRGKRZSA-N 249.358 2.512 30 20 BFED C=C(C)CN(CC)Cc1cccc(C)n1 336653051 XOBPTOGBQWICDM-UHFFFAOYSA-N 204.317 2.788 30 20 BFED C=CC[C@H](C)[C@H](C)NC[C@@H]1CCO[C@H](C)C1 336730914 FAKVWSNNALFAPU-RFQIPJPRSA-N 225.376 2.992 30 20 BFED C=C1CCN(C(=O)CSCCC(C)C)CC1 342089562 HHKVMIOATXFNFG-UHFFFAOYSA-N 241.400 2.944 30 20 BFED C=CCCN(C)[C@H](C)C(=O)N(C)c1ccccc1 342739173 XBPVGNNLPUPWOD-CYBMUJFWSA-N 246.354 2.546 30 20 BFED N#CCCCNC(=O)Nc1cccc2[nH]ccc12 345028081 GRRCUYOVPORHNB-UHFFFAOYSA-N 242.282 2.593 30 20 BFED C=CCn1cccc1-c1nc(-c2ccoc2)no1 347101390 NDJUUNLQUSZRPA-UHFFFAOYSA-N 241.250 2.984 30 20 BFED N#C[C@@H]1COCCN1CCC1CCCCCC1 347880454 OBIIPJPLEDTSGK-CQSZACIVSA-N 236.359 2.571 30 20 BFED C=CCOCCCN1CCC[C@@H]2CCC[C@@H]21 348049518 OKDZNCXPIWSJLA-KBPBESRZSA-N 223.360 2.844 30 20 BFED C=C(C)CN(CC)C(=O)NCCC1(C)CC1 350059052 IJGQUYHYVZKTLC-UHFFFAOYSA-N 224.348 2.784 30 20 BFED C=CCOCCCc1nc(-c2ccc(C)o2)no1 350807449 IGBLUWIBQHKBNQ-UHFFFAOYSA-N 248.282 2.773 30 20 BFED C=CC1CCN(C(=O)NC[C@@H]2CC2(C)C)CC1 352426384 UBVXXGIYLMWOJY-LBPRGKRZSA-N 236.359 2.640 30 20 BFED C=CCC(C)(C)CNC(=O)[C@H]1CC1(C)C 352520567 ZOVPLGUUZSVIDB-SNVBAGLBSA-N 209.333 2.751 30 20 BFED C=CCCC1(C(=O)N2CC=C(COC)CC2)CC1 356815427 MDVZPGOQJQNFQK-UHFFFAOYSA-N 249.354 2.538 30 20 BFED C[C@H]1CCC[C@H](CC(=O)N2CC(C)(C#N)C2)C1 361216879 OFSROKHVDLDRRS-RYUDHWBXSA-N 234.343 2.575 30 20 BFED C=CCCC1(C(=O)Nc2nc(C)cc(C)n2)CC1 361432454 OJBPCMSMQXLAMH-UHFFFAOYSA-N 245.326 2.778 30 20 BFED N#CCC1(CNc2c(C#N)cccc2C#N)CC1 362366759 XCYWOHKPKXLMAW-UHFFFAOYSA-N 236.278 2.536 30 20 BFED C=C[C@H](C)NC(=O)C/C=C\c1ccccc1F 362585389 BMCGULOYWGBZAX-JYKYSHPRSA-N 233.286 2.920 30 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C=CC[C@@H]1CCCC[C@H]1OC(=O)[C@@H](C)OC 851141111 GMBBBTZTUXGDOU-IJLUTSLNSA-N 226.316 2.699 30 20 BFED C=CC[C@@H]1CCCC[C@@H]1OC(=O)[C@H](C)OC 851141113 GMBBBTZTUXGDOU-TUAOUCFPSA-N 226.316 2.699 30 20 BFED COc1cc(NCCC#N)ccc1OC(F)F 853120735 PQMLPJJVVIYFBY-UHFFFAOYSA-N 242.225 2.622 30 20 BFED CCO[C@H]1CC(=NOCC2CCC2)C1(C)C 853439515 KDMILBUAYXPIBM-LBPRGKRZSA-N 225.332 2.994 30 20 BFED CCN(Cc1cc(C)c(C)cc1O)[C@H](C)C#N 853582571 QBMYZCRJTGVLAV-GFCCVEGCSA-N 232.327 2.743 30 20 BFED CCCCCCCn1c(OC)c(C#N)ccc1=O 853703823 NUIAYYPMHVWFPP-UHFFFAOYSA-N 248.326 2.699 30 20 BFED COc1cccc(CON=CC2CC2)c1 853735419 VEAUOGTUEQHVHG-UHFFFAOYSA-N 205.257 2.608 30 20 BFED C=CC[C@H]1CCCN(C(=O)c2ccc(C)cn2)C1 855439257 YIUAWGHBJTUSCH-ZDUSSCGKSA-N 244.338 2.818 30 20 BFED CCCC[C@](C)(F)C(=O)Nc1cccc(C#N)n1 857632054 VCUSSSJXNHRZKI-ZDUSSCGKSA-N 249.289 2.810 30 20 BFED C#CCCOC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 859095061 KCAFFFODCSLPBK-JHJVBQTASA-N 235.327 2.799 30 20 BFED C=CCCOc1ccccc1-c1cn(CC)nn1 871886293 HEFMKRYZZNWKFQ-UHFFFAOYSA-N 243.310 2.920 30 20 BFED C#CCCCCCCN[C@@](C)(CC)CCO 877090942 YLINSHBIORKIBB-AWEZNQCLSA-N 225.376 2.711 30 20 BFED C=CC(C)(C)CC(=O)N1C[C@@H](C)OC(C)(C)C1 878438133 GGOLXPBVKVMGLS-LLVKDONJSA-N 239.359 2.615 30 20 BFED C=CC(C)(C)CC(=O)NCC(=C)Br 878464445 XVUMBADQKSRLAJ-UHFFFAOYSA-N 246.148 2.614 30 20 BFED Cc1nc(C#N)cc(N2CC[C@H](C)C(C)(C)C2)n1 882187123 LOQWIAGBMLEQEQ-JTQLQIEISA-N 244.342 2.529 30 20 BFED C=CCC1(O)CCN([C@H](C)c2cccnc2)CC1 886764022 JMHGAHUXHLVYQS-CYBMUJFWSA-N 246.354 2.546 30 20 BFED C=CC1(OC(=O)Cc2sc(C)nc2C)CC1 893356888 FQPGBNASEXDOTJ-UHFFFAOYSA-N 237.324 2.564 30 20 BFED N#CC1(CNc2ccc(C(F)(F)F)nc2)CC1 893651006 GNZDTKLRRBGWNK-UHFFFAOYSA-N 241.216 2.816 30 20 BFED CCCC1(C(=O)Nc2ncc(C#N)s2)CCC1 896484830 OBECGUHPPHMXNU-UHFFFAOYSA-N 249.339 2.924 30 20 BFED C#CCC(C)(C)c1nc(CCCCF)no1 897207596 KSGLKMCEMNMXMW-UHFFFAOYSA-N 224.279 2.663 30 20 BFED CC1(C)CCC/C(=C\c2ccc(N)nc2)C1=O 899363684 QXPNIFCVGQYYET-DHZHZOJOSA-N 230.311 2.826 30 20 BFED CS[C@H]1CCCC(=NNCC(F)(F)F)C1 901221395 ZEVGNCOQOCRIJC-QMMMGPOBSA-N 240.294 2.800 30 20 BFED O=C(C1CC2(CC2)C1)N(O)Cc1ccc(F)cc1 901372000 MGMWQLQJDLGFOI-UHFFFAOYSA-N 249.285 2.734 30 20 BFED C=CCC[C@@H](C)NCCCCCC(=O)O 901557800 BUUDOEPFAVEDQK-LLVKDONJSA-N 213.321 2.576 30 20 BFED C=CC[C@@H](CC)NC(=O)c1ccsc1C#N 907963562 VATXRGWMHOMAIZ-SECBINFHSA-N 234.324 2.704 30 20 BFED N#Cc1sccc1C(=O)N[C@H]1CCC[C@@H]2C[C@H]12 909924426 TTWTXVMEZHWYEX-MIMYLULJSA-N 246.335 2.538 30 20 BFED CC(C)CNN=C/C=C/c1ccccc1 916366179 RUDSUEHQXFEPRL-KAQGHPILSA-N 202.301 2.931 30 20 BFED C#CCN(CC)C(=O)c1cc2c(C)cccc2o1 930580293 SASOVBTYWOZLNU-UHFFFAOYSA-N 241.290 2.837 30 20 BFED C=C[C@@H](CC)CC(=O)N(CCC)C1CC1 931954260 PDXYLQZBSIEPDY-NSHDSACASA-N 209.333 2.990 30 20 BFED N#CCN[C@H]1CC2(CCC2)Oc2ccccc21 932216543 XNMVRUSYFXNBRH-LBPRGKRZSA-N 228.295 2.546 30 20 BFED C#Cc1ccc(NC(=O)NC2(C)CC=CC2)cc1 934923736 YOGYAFOIJQDWAB-UHFFFAOYSA-N 240.306 2.898 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1cc(OC)ccc1O 935109449 WPNHUQRFZRQQEA-JTQLQIEISA-N 249.310 2.942 30 20 BFED C=CCCN(C)C(=O)[C@@H](C)c1cccc(O)c1 935572080 FSQSXXQVPAYHSM-NSHDSACASA-N 233.311 2.530 30 20 BFED C=CCCN1CCC[C@@H]1CNc1cccc(C)n1 1116938103 LVBZDTUPGODUKF-CQSZACIVSA-N 245.370 2.842 30 20 BFED C=C[C@@H](CC)OC(=O)c1cc(C2CC2)nn1CC 1122876032 CKFMFXQYDRZDHL-NSHDSACASA-N 248.326 2.902 30 20 BFED C=C(C)COC(=O)CC1(C#N)CCCCC1 1261598032 NVMLFSYJWQRWHD-UHFFFAOYSA-N 221.300 2.970 30 20 BFED C=C(C)CCC(=O)Nc1ccc(O)cc1F 1262618492 XTOILFAQTMLSNW-UHFFFAOYSA-N 223.247 2.826 30 20 BFED CC[C@H](C)[C@@H](C)C(=O)N(CC)[C@@H](C#N)CC 1262813330 VERMDXAOBTYOED-QJPTWQEYSA-N 224.348 2.819 30 20 BFED CC(C)(C)[C@@H]1CCN1C(=O)NCC1(C#N)CCC1 1263730222 RKVMREKNXCCIFM-NSHDSACASA-N 249.358 2.510 30 20 BFED CC(C)(C)ON=Cc1ccc2c(c1)OCCO2 1323133220 SXBWWCQTHJZTSE-UHFFFAOYSA-N 235.283 2.607 30 20 BFED C=CCCc1noc(CCNc2ccccc2)n1 1324602726 XGEMNYPOXUCCMT-UHFFFAOYSA-N 243.310 2.843 30 20 BFED CC1(C(=O)OCCc2ccc(C#N)cc2)CCC1 1333212215 QMEWFSHVDXNACR-UHFFFAOYSA-N 243.306 2.834 30 20 BFED C=CCCC(C)(C)NC(=O)[C@@H]1CCC[C@H]1OC 1336030191 ZNDQDGNUTVKCDC-VXGBXAGGSA-N 239.359 2.663 30 20 BFED CC[C@H](C#N)N(CC)C(=O)c1cccc(C)c1F 1337580815 MALYVLXJJDNKNK-LLVKDONJSA-N 248.301 2.898 30 20 BFED C=CCCC(C)(C)NC(=O)C[C@@H](N)CC(C)C 1341418790 UTLQIMAQAUSVAL-LBPRGKRZSA-N 240.391 2.611 30 20 BFED C=C(C)CCC(=O)OC1CCC(OC)CC1 1344978384 UYMFKOGAHXJURF-UHFFFAOYSA-N 226.316 2.844 30 20 BFED Cc1coc(C)c1C(=O)O[C@@H]1CC[C@@H](C#N)C1 1357661930 JERPGCYOAVJVCY-GHMZBOCLSA-N 233.267 2.746 30 20 BFED Cc1cccc(NN=Cc2cc(C(=O)O)co2)c1 1776032869 ATNRWPQRXAHJLA-UHFFFAOYSA-N 244.250 2.732 30 20 BFED C=CCC[C@@H]1CCCN1c1cc(C(=O)O)ccn1 1776170652 DXRYGDZRACOJSD-GFCCVEGCSA-N 246.310 2.715 30 20 BFED C[C@H](N[C@@H]1CCCC[C@@H]1O)c1ccc(C#N)cc1 37749519 KHWKCRKQFQHKMT-GLQYFDAESA-N 244.338 2.512 30 20 BFED C[C@@H]1CCCCN1C(=O)C1(C#N)CCCCC1 44385440 VSYKPZIRYOZZQZ-GFCCVEGCSA-N 234.343 2.861 30 20 BFED CC(C)(C#N)C(=O)N1CC[C@H]2CCCC[C@H]2C1 44426508 DVJHOVCLKRHZMT-NEPJUHHUSA-N 234.343 2.575 30 20 BFED CCc1ccc(CN(C)CCC#N)cc1 46437789 IRYIRURQUOYNCQ-UHFFFAOYSA-N 202.301 2.594 30 20 BFED CCN(Cc1cc(C)ccc1OC)C[C@@H](C)C#N 49572984 PZSMXRMFKCHDLL-ZDUSSCGKSA-N 246.354 2.985 30 20 BFED CC[C@@H](C)Oc1cccc(NC(=O)[C@H](C)C#N)c1 51781352 ZJCASCHNIDDMTG-GHMZBOCLSA-N 246.310 2.962 30 20 BFED C[C@H](CC(=O)NCCCC#N)CC(C)(C)C 54137705 AMPZQFLZPCKHET-LLVKDONJSA-N 224.348 2.869 30 20 BFED C#CCN(CC)C(=O)Nc1cccc(Cl)c1 56517422 WKZNIVPPAKYWHE-UHFFFAOYSA-N 236.702 2.827 30 20 BFED Cc1ccccc1CCC(=O)NCCCCC#N 70940414 MZHWXXKSOLAERZ-UHFFFAOYSA-N 244.338 2.738 30 20 BFED Cc1ncsc1CNCc1ccc(C#N)cc1 71212373 RRJACYDSVBGGDY-UHFFFAOYSA-N 243.335 2.613 30 20 BFED C=C(Cl)CN(C)[C@H]1CC[C@H](SC)C1 75922266 TWBLAQQTRKENKA-UWVGGRQHSA-N 219.781 2.955 30 20 BFED N#CCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 76152900 YCXJPQNXTSSNEK-GJZGRUSLSA-N 239.322 2.672 30 20 BFED C#CCOc1cccc(NC(=O)CC2CCC2)c1 80123895 WNLASVNDMKKUID-UHFFFAOYSA-N 243.306 2.827 30 20 BFED C=C(Cl)CNC(=O)c1cccc2[nH]ccc12 81762970 ZWEKWBKKXVODDO-UHFFFAOYSA-N 234.686 2.650 30 20 BFED Cc1cccc(N(C)C(=O)C2(C#N)CCC2)c1 83795355 UOSLATDQOWCLEZ-UHFFFAOYSA-N 228.295 2.652 30 20 BFED N#CCC1(CNc2cccc(F)c2C#N)CC1 88249613 UPGUVDBOSNRTRK-UHFFFAOYSA-N 229.258 2.803 30 20 BFED Cc1ncsc1CN(CC#N)C1CCCC1 93563397 SDGLHVPFAFRZRQ-UHFFFAOYSA-N 235.356 2.720 30 20 BFED Cc1cc(C#N)n(-c2ccc(CO)cc2)c1Cl 98178573 KRHWXBGNGQCSOB-UHFFFAOYSA-N 246.697 2.803 30 20 BFED C#Cc1cccc(N(C)C(=O)[C@H]2CC=CCC2)c1 103033227 VZQDCQLTLNYMMX-AWEZNQCLSA-N 239.318 2.987 30 20 BFED C#CCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 107362530 RPNGHFRJCBJYFR-NWDGAFQWSA-N 234.682 2.620 30 20 BFED C=CC1CCN(C(=O)c2ccc[nH]c2=S)CC1 110968277 ZEFADWHCTJSAIO-UHFFFAOYSA-N 248.351 2.782 30 20 BFED CCN(C[C@H]1CCCO1)c1ccc(F)cc1C#N 111036190 QZYSZWCNRGGRFD-CYBMUJFWSA-N 248.301 2.703 30 20 BFED C=CC[C@@H](C)NC(=O)C1(C#N)CCCCC1 116862295 QDFXLZDLLSZXGS-LLVKDONJSA-N 220.316 2.541 30 20 BFED C=CC[C@@H](C)[C@H](C)NCC(O)(CC)CC 121905799 ZFNPOXYFRMEUPW-NEPJUHHUSA-N 213.365 2.728 30 20 BFED C[C@@H]1CC(NCC(C)(C)CCC#N)C[C@@H](C)O1 128641110 CHFUXSBNHYNXMX-VXGBXAGGSA-N 238.375 2.862 30 20 BFED C=C[C@@](C)(CC)C(=O)N[C@H]1C=CCCC1 135114027 YHCNMNDCYDTKOM-AAEUAGOBSA-N 207.317 2.814 30 20 BFED CC[C@@](C)(C#N)C(=O)N(C)Cc1ccccc1F 136201272 SFNJKHSNOZWZNU-AWEZNQCLSA-N 248.301 2.724 30 20 BFED C=CCCOCC(=O)Nc1ccccc1OCC 138355445 SUYIENUGDQAKEF-UHFFFAOYSA-N 249.310 2.617 30 20 BFED Cc1ccc(C)c(NC(=O)N[C@H](C)CC#N)c1 153081952 DZUNBTUDGQDFSB-LLVKDONJSA-N 231.299 2.727 30 20 BFED CCC(=O)N[C@@H](CCC#N)c1ccccc1 153205215 NLZWISWALJSAGN-LBPRGKRZSA-N 216.284 2.558 30 20 BFED Cc1ccc(NC(=O)N[C@H](C)CC#N)c(F)c1 153491526 CVJLBKOSIMGGCA-SECBINFHSA-N 235.262 2.558 30 20 BFED CCOC(=O)Nc1ccc(OCCC#N)cc1 155005325 FFJMVIAHCNGUMV-UHFFFAOYSA-N 234.255 2.547 30 20 BFED CC#CCNc1ccc([N+](=O)[O-])c2cnccc12 159156264 NACSLTUTKHXZSH-UHFFFAOYSA-N 241.250 2.578 30 20 BFED C#CCCCN[C@@H]1CCc2ccccc2C1 160875906 CZGHQSDOLLFWKG-OAHLLOKOSA-N 213.324 2.547 30 20 BFED CC[C@](C)(C#N)NC(=O)C[C@H](C)c1ccccc1 162171466 ARFNUSGWSADFNU-SWLSCSKDSA-N 244.338 2.989 30 20 BFED C=C[C@H](C)N[C@@H]1C[C@H](OCC)C12CCCC2 162577041 WXAXQJDAVLTDOK-XQQFMLRXSA-N 223.360 2.888 30 20 BFED C=CCCN1CCCCC[C@H]1C[C@@H](C)O 163155511 RZUWFHZIVGWHDQ-OLZOCXBDSA-N 211.349 2.578 30 20 BFED Cc1cc(F)ccc1OC(=O)C(C)(C)C#N 165122797 BLUGPHVRASYHIG-UHFFFAOYSA-N 221.231 2.589 30 20 BFED CC[C@H](C)CC(=O)N(CCC#N)CC(C)C 167404192 ILMILNQKDSLBFO-LBPRGKRZSA-N 224.348 2.821 30 20 BFED Cc1cc(C)cc(N/C(N)=N/CCCCC#N)c1 170915066 MWFLJIUOKORTKK-UHFFFAOYSA-N 244.342 2.724 30 20 BFED COC(=O)[C@H](Sc1ccccc1C#N)C(C)C 173721057 QZPBVYRBJGADOW-GFCCVEGCSA-N 249.335 2.848 30 20 BFED CC#CCOC(=O)CCOc1cc(C)ccc1C 174277861 KSXRXRAZFUHVFR-UHFFFAOYSA-N 246.306 2.639 30 20 BFED C=CCCC(=O)OCc1nc(C)c(C)s1 174678797 ZOFDCUHFSDCBCU-UHFFFAOYSA-N 225.313 2.769 30 20 BFED COC(=O)[C@H](C)SCCCC(C)(C)C#N 177239053 ZAMWJTDIVLXZIE-VIFPVBQESA-N 229.345 2.611 30 20 BFED C[C@@H]1OCC[C@@H]1SCc1ccccc1C#N 178834341 RHJUPIHVAYQCNQ-GWCFXTLKSA-N 233.336 2.969 30 20 BFED C=C(C)CN(CC)Cc1cnn(C(C)C)c1 179528007 SAYSXQJNOMAYEO-UHFFFAOYSA-N 221.348 2.862 30 20 BFED CCO[C@H]1C[C@@H](NCCCCC#N)C12CCC2 181683781 LHDGVCSHSMDMON-OLZOCXBDSA-N 236.359 2.618 30 20 BFED N#CCCCCNc1ccc([N+](=O)[O-])c(C#N)c1 184022858 GSXJQUQYQGYSKL-UHFFFAOYSA-N 244.254 2.572 30 20 BFED CC[C@H](C)[C@H](C)C(=O)N(CCC#N)CC1CC1 184139366 BNDZNVVSUGXMKE-RYUDHWBXSA-N 236.359 2.821 30 20 BFED C=CCN[C@H](COCC(C)C)c1ccco1 184191648 QNCYEJOWOFMSMW-GFCCVEGCSA-N 223.316 2.769 30 20 BFED CC#CCCCC(=O)N1CCS[C@@H](CC)C1 185724030 AEICIBYPROWWSW-LBPRGKRZSA-N 239.384 2.534 30 20 BFED C=C(C)COc1ccc([N+](=O)[O-])c(OCC)c1 188581240 CRXPHGZSSGCSEI-UHFFFAOYSA-N 237.255 2.948 30 20 BFED CC#CCCSC[C@H]1CC2(CCC2)C(=O)O1 191057329 OYVHOKJNUQSVOF-LLVKDONJSA-N 238.352 2.619 30 20 BFED C=C(C)CS(=O)(=O)Oc1ccc(Cl)cc1 196540559 TZHCPOIEUFGJDL-UHFFFAOYSA-N 246.715 2.625 30 20 BFED CO[C@@]1(C)CCCN(c2cccc(F)c2C#N)C1 230264870 KLYHSIYBZMAURW-AWEZNQCLSA-N 248.301 2.703 30 20 BFED C#C[C@H](CCC)NC(=O)C1(CC)CCCC1 233356998 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C=C[C@](C)(CC)C(=O)N(C)Cc1ccccn1 275950283 DKMDQHNKDCRVAG-CQSZACIVSA-N 232.327 2.642 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@H]1C[C@H]2C=C[C@H]1C2 280687258 REWUAOVKAIAVNM-RBZJEDDUSA-N 247.382 2.769 30 20 BFED CC[C@H]1CN(c2ccc(C#N)cc2F)CCCO1 282022992 YPEFOVYRHDGZKR-LBPRGKRZSA-N 248.301 2.703 30 20 BFED C=C(C)CCc1noc(COCC2CC2)n1 285160497 PNELJBWMKBCVJX-UHFFFAOYSA-N 222.288 2.505 30 20 BFED C=CCSCCN[C@@H](C)c1cc(C)on1 285369450 VWEOUXXNSITKMP-JTQLQIEISA-N 226.345 2.553 30 20 BFED C=C[C@H](CO)N[C@H](CC)c1ccc(Cl)cc1 289882122 SCTOIFGKPWBITP-CHWSQXEVSA-N 239.746 2.928 30 20 BFED CCN(CCc1ccccc1)C(=O)CCCC#N 292325774 AOSGMALUKFGGFN-UHFFFAOYSA-N 244.338 2.771 30 20 BFED CCCc1nsc(N[C@H](CC)CC#N)n1 292502824 FXQXHHPTCHHRNI-MRVPVSSYSA-N 224.333 2.595 30 20 BFED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)CC#N 292837165 XAWFYTXCHTXMLN-YRGRVCCFSA-N 242.322 2.693 30 20 BFED CC(C)CC/N=C(/NCc1ccccc1)N(C)C 303713795 QYSOYWFHZVHESN-UHFFFAOYSA-N 247.386 2.740 30 20 BFED Cc1ccc(N/C(N)=N/CCC2CC2)cc1 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30 20 BFED C=CCC(C)(C)CNC(=O)c1cccc(C)n1 352534394 GDXUKRHHHYJRFB-UHFFFAOYSA-N 232.327 2.722 30 20 BFED C=CCCCOc1ccc(C(=O)N(C)C)cc1 354319098 TZGHYSZTKALTAO-UHFFFAOYSA-N 233.311 2.733 30 20 BFED C=CCNC(=O)N[C@H]1CCCCC12CCCC2 359407323 JIRJMMUXRFIBMB-LBPRGKRZSA-N 236.359 2.975 30 20 BFED CC1(C)CCC[C@@H]1CNC(=O)CCCC#N 360862376 YDJMEJPSTHBIDT-LLVKDONJSA-N 222.332 2.623 30 20 BFED C=CCOCCCN(CC)CC(C)(C)C 361520461 WLMDCCPOALHTOA-UHFFFAOYSA-N 213.365 2.947 30 20 BFED C[C@@H]1CC[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)C1 361950020 UNODOFKFQGKZJJ-UHIISALHSA-N 236.359 2.867 30 20 BFED C=CC[C@@H](CC)NC(=O)N1CCCC2(CC2)C1 370013308 YPYVFPJTJQJJBM-GFCCVEGCSA-N 236.359 2.927 30 20 BFED Cc1cc([C@@H]2CCCN2CCCCC#N)no1 371496235 YOVHUUFOUVGXBN-ZDUSSCGKSA-N 233.315 2.814 30 20 BFED C=C[C@H](COC)N[C@@H](C)CCCC(C)C 380301654 DUXXKVKKQCWEDD-QWHCGFSZSA-N 213.365 2.992 30 20 BFED C[C@@H]1C[C@@H](C(=O)O)CCC1=NOC/C=C/Cl 382044552 YUXNSOFTESTHPZ-VFNJBJHSSA-N 245.706 2.632 30 20 BFED C=C(C)CN(C)Cc1cc(C(=O)O)ccc1F 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C=C(C)Cn1c(CC)nnc1N1CC[C@@H](C)[C@@H]1C 558625668 AUSNYNJHUOHYRN-NEPJUHHUSA-N 248.374 2.651 30 20 BFED CCC[C@@H]1C[C@H]1NC(=O)N1CCC(CC#N)CC1 563854006 NDNZHRRPQZEUSB-CHWSQXEVSA-N 249.358 2.510 30 20 BFED C=C(C)CCN1CCC[C@@H]1[C@H]1CCCOC1 566617908 OQVLDTXOQKKNKV-UONOGXRCSA-N 223.360 2.844 30 20 BFED C[C@@H]1CCC[C@@H](NCc2ccc(C#N)cn2)[C@@H]1C 576013761 AVYKLRIDDRGSTP-LALPHHSUSA-N 243.354 2.868 30 20 BFED N#CCCN[C@@H](c1ccccc1)C(F)(F)F 581237150 GNOKRSGUCNKICK-JTQLQIEISA-N 228.217 2.793 30 20 BFED C=CCCCCCN[C@H]1CCCC[C@H]1CN 581736722 GKVFPCZOIJYXQZ-KBPBESRZSA-N 224.392 2.840 30 20 BFED C#C[C@@H](C)NC(=O)/C(C)=C\c1ccccc1Cl 588512795 OHXGHELPEKOUSZ-DWOQACPDSA-N 247.725 2.881 30 20 BFED C=CC[C@H](C)[C@@H](C)N[C@H]1CCC[C@H]1C(=O)OC 590656967 AGQNFHQDAAJKMR-LOWDOPEQSA-N 239.359 2.518 30 20 BFED CC(C)(C)[C@](C)(C#N)NC(=O)C[C@@H]1CC[C@H]2C[C@H]12 590988753 HVOJRQCERBLLOK-ASHKBJFXSA-N 248.370 2.867 30 20 BFED CC1(NCc2ccc(C#N)cc2F)CC=CC1 594509875 JCEQZICPDYVOGG-UHFFFAOYSA-N 230.286 2.896 30 20 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C[C@H](CC#N)N[C@H](C)c1nc2ccccc2o1 602867193 BSAKVFKZIYOAFN-NXEZZACHSA-N 229.283 2.781 30 20 BFED Cc1ccc(SCC(C)(C)CC#N)nn1 603315975 GVUWWKANDLNYKI-UHFFFAOYSA-N 221.329 2.817 30 20 BFED C=CCCNC(=O)[C@H](c1ccccc1)C1CC1 617616817 ITYGAAYPXGJKOL-CQSZACIVSA-N 229.323 2.873 30 20 BFED CCC[C@@](C)(CC)C(=O)N1CC[C@@](F)(C#N)C1 619445329 SLMIQAMOFODQSN-CHWSQXEVSA-N 240.322 2.667 30 20 BFED C=CC[C@H]1CCCN(C(=O)NCc2ccco2)C1 656543428 DSODUEUGLWGFRQ-LBPRGKRZSA-N 248.326 2.777 30 20 BFED C=CC[C@@H]1CCCN(c2cc(C)ncn2)C1 664256070 OEBKZCSQCFRZPR-GFCCVEGCSA-N 217.316 2.578 30 20 BFED C=CCCc1noc([C@@H]2C[C@H]2OC(C)(C)C)n1 664898664 XZEVUFVJNKGOAI-NXEZZACHSA-N 236.315 2.859 30 20 BFED C=CC[C@@H]1CCCN(Cc2cn(C)nc2CC)C1 668492969 IDZSZSOZOISZBV-CYBMUJFWSA-N 247.386 2.771 30 20 BFED C=C[C@H](C)NC(=O)c1c(C)oc(C)c1C 674955541 FPFXGVFFHBYYOT-ZETCQYMHSA-N 207.273 2.509 30 20 BFED C=C[C@@H](C)NC(=O)c1c(C)nn(C(C)(C)C)c1C 674957600 UOIOJXCYPZGVRW-SECBINFHSA-N 249.358 2.559 30 20 BFED C=CCCOCCNC(=O)[C@H](C)C1CCCC1 677466613 KXFHWXHBYUMGEE-GFCCVEGCSA-N 239.359 2.522 30 20 BFED CC#CCCCC(=O)N(CC)CCC(F)(F)F 680997033 KVWPIDOMPVDFFQ-UHFFFAOYSA-N 249.276 2.981 30 20 BFED C=CCCN(C)Cc1noc2c1CCCC2 682435057 IYYSNQHXHUWNBQ-UHFFFAOYSA-N 220.316 2.561 30 20 BFED CCC[C@H](C#N)NC(=O)/C=C/c1ccccc1F 701310546 KKHVEGLOATXERF-IDVQTMNDSA-N 246.285 2.647 30 20 BFED C[C@@H](CC#N)N(C)Cc1ccc2c(c1)C[C@@H](C)O2 720818607 BWOUGSDXHLRPIJ-NWDGAFQWSA-N 244.338 2.744 30 20 BFED C=C(C)COC(=O)c1ccc(F)c(C)c1 729000018 RSUIHFUSMOZTFF-UHFFFAOYSA-N 208.232 2.867 30 20 BFED Cc1cc(NN=Cc2cccc(F)c2F)ncn1 731934867 KIRBUFFMFMMMOV-UHFFFAOYSA-N 248.236 2.509 30 20 BFED Cc1ncsc1C=NNCc1ccccc1 743428010 HZFXLEFSSYKAHX-UHFFFAOYSA-N 231.324 2.575 30 20 BFED CCON=Cc1ccc(Oc2cnccn2)cc1 743433546 AJVKMRDTQOAAHT-UHFFFAOYSA-N 243.266 2.639 30 20 BFED CCC(CC)NN=C1C[C@@](C)(OC)C1(C)C 746577374 UCCKLWPXOCTZTP-CYBMUJFWSA-N 226.364 2.956 30 20 BFED Clc1ccc(C=NOCc2cccnc2)cn1 746588121 KPSRSJQLZCMJRW-UHFFFAOYSA-N 247.685 2.681 30 20 BFED C=CC[C@@H](NC(=O)/C=C/SC)c1ccncc1 751581836 ANAFXFRPRNMHOM-OFFHKIPUSA-N 248.351 2.692 30 20 BFED C#CC[C@@H](NCc1cncs1)c1ccccc1 756997034 UCHILQBFBQDASM-CQSZACIVSA-N 242.347 2.997 30 20 BFED COc1ccc2cc(C=NNC3CC3)ccc2c1 758132322 FVUDNBYHYRRZQA-UHFFFAOYSA-N 240.306 2.934 30 20 BFED CCCCCCCNCC1(OC)CCOCC1 758303581 VIXQNHWDSWTMMP-UHFFFAOYSA-N 243.391 2.742 30 20 BFED CC#CCCOC(=O)[C@@H]1CCO[C@H](CCC)C1 760290899 YFOPRMZSWHGBSW-CHWSQXEVSA-N 238.327 2.538 30 20 BFED C=CCCC(CC)=NNc1ccc(C(=O)O)cn1 763371729 JVWIGPCIILJVFC-UHFFFAOYSA-N 247.298 2.924 30 20 BFED C#CCN(CCOC1CCCCCC1)C1CC1 763956054 TZCXAUZPWHJPQK-UHFFFAOYSA-N 235.371 2.823 30 20 BFED Cc1cc(OC(=O)[C@H]2CC23CCC3)ccc1C#N 765093565 CCLPGMCPQMBPKC-CYBMUJFWSA-N 241.290 2.962 30 20 BFED Cc1cccc(NN=C2CCN3CCC[C@H]23)c1 765543208 OFYJQJITKDNTIZ-CQSZACIVSA-N 229.327 2.631 30 20 BFED C=CCCCOC(=O)c1cc(O)nc(C2CC2)c1 770583118 XWVQLYLIPFBWIS-UHFFFAOYSA-N 247.294 2.788 30 20 BFED CCC(CC)CNN=Cc1cccc([N+](=O)[O-])c1 774478319 PTLRCDGZBOHDPR-UHFFFAOYSA-N 249.314 2.955 30 20 BFED COC(=O)c1ccccc1NN=C[C@H]1C[C@@H]1C 776187280 LSUWUBSQAICKSX-VHSXEESVSA-N 232.283 2.527 30 20 BFED CC(C)(C#N)CCOC(=O)Cc1ccccc1F 776361053 JGODLYOTQJICKB-UHFFFAOYSA-N 249.285 2.851 30 20 BFED CC(=NN[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCCOC1 779783883 JQDVGJNOELJDQT-XDQVBPFNSA-N 236.359 2.567 30 20 BFED CC(=NN=c1cc[nH]cc1)c1ccc(C)s1 779812592 SWZBVLHUTNHCPJ-UHFFFAOYSA-N 231.324 2.710 30 20 BFED C#CCCCCCC(=O)NC1(C(F)(F)F)CC1 779984955 YFAASZDFTIWWEI-UHFFFAOYSA-N 247.260 2.781 30 20 BFED C=C(CC)COC(=O)[C@H]1CCO[C@@H](CC)C1 780143366 BBJWWCHPZBGNHS-RYUDHWBXSA-N 226.316 2.701 30 20 BFED COc1ccc(NN=C(C)c2ccco2)nc1 780274985 MOHWSVUFBNIXON-UHFFFAOYSA-N 231.255 2.519 30 20 BFED Oc1ccc(F)cc1C=NNc1ccnc(F)c1 781124458 FYRFBBROTBWKNT-UHFFFAOYSA-N 249.220 2.511 30 20 BFED CC[C@H](C#N)OC(=O)c1cc(F)ccc1C 781155081 JLZDYKOXAHTMBX-SNVBAGLBSA-N 221.231 2.593 30 20 BFED C=C[C@@](C)(CC)C(=O)OCc1ncc(CC)o1 785767816 JFJUSORKGQNOHK-ZDUSSCGKSA-N 237.299 2.883 30 20 BFED C#CCC1(C(=O)N2CCCC2)CCCCC1 788131409 SLWHNZRMUXEDBX-UHFFFAOYSA-N 219.328 2.583 30 20 BFED CC(=NNc1ncccc1C)c1cncs1 790185107 GEDPEKSHPIARSX-UHFFFAOYSA-N 232.312 2.683 30 20 BFED CCc1ncc(C=NNc2ncccc2C)s1 790192735 CLTMZWROAUDZED-UHFFFAOYSA-N 246.339 2.855 30 20 BFED C#CCN(CC)Cc1cc(OC)ccc1Cl 792234842 GWCRXKVDTADMPY-UHFFFAOYSA-N 237.730 2.804 30 20 BFED C[C@H]1COCCC1=NNc1cccc(Cl)n1 793175788 WALWUFRFSBHNNA-QMMMGPOBSA-N 239.706 2.559 30 20 BFED CSC1(C=NNc2cccc(F)n2)CC1 795007176 SYSGSFSOHYJIAB-UHFFFAOYSA-N 225.292 2.514 30 20 BFED Fc1cc(NN=C2CCC23CCOCC3)ccn1 799884050 BBKRINWKJNWKON-UHFFFAOYSA-N 249.289 2.579 30 20 BFED Cc1cc(NN=C[C@H]2CC[C@H](C)C2)nc(C)n1 800810854 XIXKLOYFGRKOOP-CABZTGNLSA-N 232.331 2.927 30 20 BFED Cc1ccc(CSCCO[C@@H](C)C#N)nc1 802750862 CVSCVBVUZHHHET-NSHDSACASA-N 236.340 2.552 30 20 BFED CC[C@@H](C)CCC(=O)OCC1(C#N)CC1 802992759 MLYNLIIMBBQJBJ-SNVBAGLBSA-N 209.289 2.660 30 20 BFED C#CCCc1noc(-c2c(C)coc2C)n1 809398080 PDBNJNYIVUMPOQ-UHFFFAOYSA-N 216.240 2.512 30 20 BFED C=CCCCCCCCNC(=O)Cc1cc[nH]n1 811590328 XKWFSTUZTGORJW-UHFFFAOYSA-N 249.358 2.595 30 20 BFED CC[C@H](O)CNN=C1CCCC[C@H]1C(C)C 811654832 XHEARZRCAOMUCL-RYUDHWBXSA-N 226.364 2.549 30 20 BFED CO[C@](C)(C=NNCc1ccccc1)C1CC1 814751407 LHUJQUACNQVQPF-CQSZACIVSA-N 232.327 2.577 30 20 BFED COc1cc(C(C)=NOCc2ccccc2)on1 814792504 SMXBCEYGCKLHMT-UHFFFAOYSA-N 246.266 2.624 30 20 BFED Clc1ccc(C=NO[C@@H]2CCCCO2)o1 814888150 RAUCVHUCEKCCFV-SNVBAGLBSA-N 229.663 2.810 30 20 BFED Fc1cccc(NN=C2C[C@H]3CC[C@H]2C3)n1 814929451 MVKJWNGWPAAVEP-IUCAKERBSA-N 219.263 2.809 30 20 BFED CC(C)CC[C@@H]1CCCC1=NNC[C@H](C)O 814962661 PRYNGJXYIOHUAM-RYUDHWBXSA-N 226.364 2.549 30 20 BFED C=CCC(F)(F)C(=O)OCc1cncc(C)c1 815310343 UEACQWJDYSYFCQ-UHFFFAOYSA-N 241.237 2.645 30 20 BFED C[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1c[nH]c(C#N)c1 816225620 VPDILPJPNPDPIN-GBIKHYSHSA-N 246.310 2.868 30 20 BFED Oc1ccccc1/C=N\CCCC1(O)CCC1 817706961 GQCXEVHQVWZVOP-PTNGSMBKSA-N 233.311 2.506 30 20 BFED C=CCCSc1ccccc1-c1nn[nH]n1 819740438 ZGQXGYPSKLXNDD-UHFFFAOYSA-N 232.312 2.535 30 20 BFED C=C[C@@](C)(O)C(=O)NCCCCCCC(C)C 820925416 XGVMHMDUMQTPSM-CQSZACIVSA-N 241.375 2.646 30 20 BFED C=C(C)C(C)(C)C(=O)OCC(=O)CC(C)C 821447251 DLDZSHNLQBKIBF-UHFFFAOYSA-N 226.316 2.747 30 20 BFED C=C(C)CN(CC)C(=O)C(C)(C)SC 821714332 SRMFKXVTACYABV-UHFFFAOYSA-N 215.362 2.553 30 20 BFED C=CCN(C(=O)c1nccc2[nH]ccc12)C(C)C 826075239 QIKLOZNKDLHYEJ-UHFFFAOYSA-N 243.310 2.600 30 20 BFED C=CCCCCCN(C)C(=O)C#CC(C)C 828454689 YXCBDIIWECQYHX-UHFFFAOYSA-N 221.344 2.851 30 20 BFED C=C[C@@H](CC)OC(=O)c1ccc(C(=O)O)cc1 833371086 LSKJSALJVJRHGX-NSHDSACASA-N 234.251 2.506 30 20 BFED C[C@H]1CC(=NNc2cccc(F)c2F)[C@@H](C)O1 834960182 HSBMKCATMFPZTK-JGVFFNPUSA-N 240.253 2.930 30 20 BFED CC[C@](C)(C=NNc1cccc(Cl)n1)OC 834981283 LPBXKRXJVYVLRS-LLVKDONJSA-N 241.722 2.948 30 20 BFED C[C@H](NN=Cc1ccsc1)C(F)(F)F 834996173 OXQRPQZYGRODNZ-LURJTMIESA-N 222.235 2.622 30 20 BFED C#CCNN=C1C[C@H](C)Sc2sccc21 835007816 FPSMTZLVDBUKAM-QMMMGPOBSA-N 236.365 2.559 30 20 BFED C#CCOC(=O)[C@H]1CCC[C@@H]1c1ccccc1 835078480 KYWBNUZRYPMAOU-KGLIPLIRSA-N 228.291 2.747 30 20 BFED C=CC(C)(C)COC(=O)c1cncs1 835721075 GTAMEFCXPYBDAL-UHFFFAOYSA-N 211.286 2.512 30 20 BFED C#CCSCCNC(=O)CCCCC(C)C 837431607 KQXGLIQQRYCVJK-UHFFFAOYSA-N 241.400 2.685 30 20 BFED C=CCCCCOC(=O)[C@@H]1CC12CCOCC2 837686757 VSMMSZGJZDNPPM-LBPRGKRZSA-N 238.327 2.703 30 20 BFED C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCC[C@@H](C)C1 837693039 MVQGCAFBKXZQRI-MBNYWOFBSA-N 233.355 2.731 30 20 BFED C#CCC[C@H](C)OC(=O)C(C)(C)CSC 839038386 IXUIANLXMXFDLQ-JTQLQIEISA-N 228.357 2.721 30 20 BFED C#CCC[C@@H](C)OC(=O)CC[C@H](C)SC 839044009 XFLRGQVSLVBBBN-MNOVXSKESA-N 228.357 2.863 30 20 BFED CC(C)=C(C)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839447259 ACFIPIKQMZFLPQ-NWDGAFQWSA-N 221.300 2.968 30 20 BFED C=C[C@@H](CC)OC(=O)[C@@H](CC(C)C)OC 842331132 XNKJDFSUAVIZDS-WDEREUQCSA-N 214.305 2.555 30 20 BFED C#C[C@@H](OC(=O)CC1CC1)c1ccc(F)cc1 842414041 XYJKUDSOOKNETQ-CYBMUJFWSA-N 232.254 2.843 30 20 BFED CC(C)Cn1nccc1C=NNc1ccccc1 842522963 ULWWPGTVBFDVJY-UHFFFAOYSA-N 242.326 2.985 30 20 BFED C=C[C@@H](C)ONC(=O)Nc1cc(C2CC2)ccn1 844667628 RSTAJTUUCTVUHL-SECBINFHSA-N 247.298 2.587 30 20 BFED C=C[C@@H](C)ONC(=O)N[C@H]1CCCCC1(C)C 845629284 IRMUIQRVUCSBIU-MNOVXSKESA-N 240.347 2.761 30 20 BFED C=C[C@H](C)ONC(=O)NC(CC)(CC)CC 845630374 IUCYWBLFLYPILZ-JTQLQIEISA-N 228.336 2.761 30 20 BFED Cc1cc(C#N)ccc1N1CCC(CC#N)CC1 846748823 JNLWALUDSFPBOV-UHFFFAOYSA-N 239.322 2.997 30 20 BFED CC/C(C)=C(\C)C(=O)Nc1cc(C)c(C#N)cn1 847132057 DNKKSFAYNAOINB-PKNBQFBNSA-N 243.310 2.947 30 20 BFED COc1ccc(C(=O)OCC2(C#N)CCCC2)o1 847676623 QWWVGCMONVUISF-UHFFFAOYSA-N 249.266 2.529 30 20 BFED CCCCCCCCCN(C)C(=O)[C@H](C)NC 848397783 LVLXYSPHNQMBLW-ZDUSSCGKSA-N 242.407 2.803 30 20 BFED C=C[C@H](OC(=O)[C@@H]1CCCOC1)c1ccccc1 851453245 PHVVJSVFIUSYNE-KGLIPLIRSA-N 246.306 2.884 30 20 BFED C[C@H]1CCCCN1N=Cc1c[nH]c2ncccc12 853379828 KRSDDQAMROCFDM-NSHDSACASA-N 242.326 2.771 30 20 BFED Cc1cc(O)c(CN(C2CC2)[C@@H](C)C#N)cc1C 853548499 FDZQNNDUTBYACH-LBPRGKRZSA-N 244.338 2.886 30 20 BFED C[C@@H](C#N)N(C(=O)/C=C/C1CCCC1)C1CC1 855586611 SKIMXWXHFLKRHI-LAHYYIKRSA-N 232.327 2.636 30 20 BFED CC[C@@H](NC(=O)c1cc(C#N)ccc1F)C1CC1 855856022 KWLDHRZHWVEKBC-CYBMUJFWSA-N 246.285 2.616 30 20 BFED C=CCCONC(=O)[C@H](CC)Nc1ccccc1 856031599 WTTWNOJQNKIPLT-ZDUSSCGKSA-N 248.326 2.501 30 20 BFED C=CCCC(C)(C)NC(=O)[C@H](F)C(F)(F)F 856372704 QRUSXIUOXPKLFP-ZETCQYMHSA-N 241.228 2.748 30 20 BFED C/C(=C\C(=O)N(C)C[C@H](C)C#N)c1cccs1 856964519 IWSBTZANAPAGON-UEUZTHOGSA-N 248.351 2.769 30 20 BFED C#CC[C@H](CCOC)NC/C=C\c1ccccc1 858333412 FSNGVJATALFLQF-MRDWYFFCSA-N 243.350 2.718 30 20 BFED C=CCOc1ccc(OC(=O)OCCF)cc1 859041837 NYKXAMPJADJKMM-UHFFFAOYSA-N 240.230 2.736 30 20 BFED C=CCn1cc(-c2cn(C)nc2C(C)C)cn1 863692997 XGUVZCMWOQXHHC-UHFFFAOYSA-N 230.315 2.593 30 20 BFED C=C(Cl)C[C@@H](NC[C@H]1CC=CCC1)C(=O)O 864518724 SADJNELNJXIWTH-WDEREUQCSA-N 243.734 2.528 30 20 BFED C=C(C)CSCC(=O)OCCCC 865377091 OSGQVILUSRYNON-UHFFFAOYSA-N 202.319 2.639 30 20 BFED CC[C@@H](C#N)OC(=O)c1ccc(C)c(F)c1F 869682035 SJXYOMYWVKUTCC-QMMMGPOBSA-N 239.221 2.732 30 20 BFED C#CCc1c(C)nn(-c2ccccc2C)c1C 871940412 IFUHHZUJECRJFD-UHFFFAOYSA-N 224.307 2.973 30 20 BFED CSc1ccc(C=NN2CCC2)s1 872398216 JYAIDFYDWGJNLX-UHFFFAOYSA-N 212.343 2.510 30 20 BFED C=CC(C)(C)CC(=O)NCc1cc(C)cc(N)c1 884301086 OEDRCDZUMAVVRO-UHFFFAOYSA-N 246.354 2.796 30 20 BFED C=C1CCC(C(=O)OC[C@H]2CC[C@H](C)O2)CC1 885652358 SSNZOZPWNWLHCE-WCQYABFASA-N 238.327 2.844 30 20 BFED C=C1CCN(Cc2cnn(C3CCC3)c2)CC1 891942662 IRKLSWZGEUSPSI-UHFFFAOYSA-N 231.343 2.760 30 20 BFED C=CCSCCNCc1cnc(F)c(C)c1 892942304 WMDKHIGLVCADJA-UHFFFAOYSA-N 240.347 2.538 30 20 BFED CC(C)(C)CCC(=O)Nc1ncc(C#N)s1 896480324 DYCLLIHPXXAQQO-UHFFFAOYSA-N 237.328 2.780 30 20 BFED C=CCCC[C@@H](NCC1(C)CCC1)C(=O)O 900068615 LUGVTDYYTJLDEK-LLVKDONJSA-N 225.332 2.576 30 20 BFED C[C@H]1CC(=NNc2cc(F)ccc2F)[C@H](C)O1 901319694 DPBCKSJVTWXXBO-YUMQZZPRSA-N 240.253 2.930 30 20 BFED C=CCC[C@H](N[C@H](C)CC1CCCC1)C(=O)O 901693261 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C=C[C@H](C)N[C@@H]1CC[C@H]2SCCS[C@@H]12 307081370 JEBFVWKIIGMULI-ZDCRXTMVSA-N 229.414 2.530 30 20 BFED CC#CCCSCCOCC(C)C 308321924 BUOQWAXVJRWCTA-UHFFFAOYSA-N 200.347 2.806 30 20 BFED C=C[C@H](COC)N[C@@H]1CS[C@@H](C(C)(C)C)C1 309418079 CZKRSYSKUSLOKP-GRYCIOLGSA-N 243.416 2.697 30 20 BFED C[C@H](C#N)CNc1c(Cl)cccc1[N+](=O)[O-] 309816428 BEGNFCYLSIZILN-SSDOTTSWSA-N 239.662 2.820 30 20 BFED CC[C@@H](CC#N)NCc1cnc(Cl)c(C)c1 309859951 MBECWRYIZMYDAA-NSHDSACASA-N 237.734 2.825 30 20 BFED CC[C@H](C#N)Nc1cc(F)cc(F)c1OC 310003565 FQZIMAHXDXDUJX-MRVPVSSYSA-N 226.226 2.687 30 20 BFED Cc1ccc(C(=O)NCC(C)(C)CC#N)cc1 315428661 DFCSDFLVUBBNJJ-UHFFFAOYSA-N 230.311 2.665 30 20 BFED CC[C@H](C#N)NC(=O)c1sccc1C1CC1 331768486 MJTOIDYHGFHWTQ-SECBINFHSA-N 234.324 2.657 30 20 BFED CC(C)[C@H]1CCC[C@H](NC(=O)[C@H](C)C#N)CC1 331843950 GYPNBIIICDBFAS-AGIUHOORSA-N 236.359 2.867 30 20 BFED CC1(C)CC=C(C(=O)N[C@@]2(C#N)CC2(C)C)CC1 331996771 QYLWRRVSNJVRBK-OAHLLOKOSA-N 246.354 2.931 30 20 BFED 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C=C[C@@H](C)NC(=O)c1c(F)cccc1SC 337043180 JXEZBVQAUWPKGR-MRVPVSSYSA-N 239.315 2.852 30 20 BFED C=CCCN1CCC(F)(c2cccnc2)CC1 342158855 RTIVKJGFCXERHI-UHFFFAOYSA-N 234.318 2.918 30 20 BFED C=CCCN(C)Cc1cccc2c[nH]nc12 343500300 VZEFFBIISQMARC-UHFFFAOYSA-N 215.300 2.571 30 20 BFED C=CCC(C)(C)C(=O)N1CC[C@H]1C(C)C 345451639 FXZVBXWQAFGZRI-NSHDSACASA-N 209.333 2.846 30 20 BFED C[C@@H]1CC[C@@H](C(=O)NCC(C)(C)CCC#N)C1 345880416 GDUFCCGJHOWNNE-VXGBXAGGSA-N 236.359 2.869 30 20 BFED C[C@H](C#N)C(=O)Nc1ccc(OC(C)(C)C)cc1 346376121 CRNMGUOJUYLLBI-SNVBAGLBSA-N 246.310 2.962 30 20 BFED C=CCC[C@@H](C)NCc1ccc(C(=O)OC)o1 349293061 DKPJJVZSIPYISC-SNVBAGLBSA-N 237.299 2.511 30 20 BFED C=C(CC)COc1cc([N+](=O)[O-])ccc1OC 358559916 KBJCBPXHOWSMNP-UHFFFAOYSA-N 237.255 2.948 30 20 BFED Cc1cc(C)c(NC(=O)CCCC#N)c(C)n1 361449244 KZYPIZAIEHIIMC-UHFFFAOYSA-N 231.299 2.639 30 20 BFED C=CC[C@H](CC)NC(=O)N1CCC2(CCC2)C1 369932506 HHMLUSSLZWIUIB-LBPRGKRZSA-N 236.359 2.927 30 20 BFED Cc1ccc([C@@H](NCC#N)c2ccccn2)cc1 373853735 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C[C@H](NCC1(CC#N)CC1)c1ccc(F)cn1 430725025 PONPNEIOLSDFBV-JTQLQIEISA-N 233.290 2.565 30 20 BFED CC1(C)CCCCN(c2ccc(C#N)nc2)C1 445674460 SZCNSGDHOPDOLA-UHFFFAOYSA-N 229.327 2.970 30 20 BFED C=CCCCC[C@H](C)NC[C@](C)(O)C1CC1 449149736 XRFGMUYUHGGXJG-JSGCOSHPSA-N 225.376 2.872 30 20 BFED N#C[C@@H]1CC[C@H](NC[C@@H]2CCCC2(F)F)C1 449503312 XOBPCWJUFOYZGF-VWYCJHECSA-N 228.286 2.704 30 20 BFED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCO[C@H]1C=C 449516878 CYKMQMUKLBHQDU-LOWDOPEQSA-N 209.333 2.520 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)NC(CC)(CC)CC 449998286 XGOXGTRIYHYHPY-NEPJUHHUSA-N 239.359 2.663 30 20 BFED C=C[C@H](C)NC(=O)c1cccc2c1CCCC2 450097055 LWYWYXAZTAZUFA-NSHDSACASA-N 229.323 2.870 30 20 BFED C=CCCCCNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 450689686 FKMJCZQJEAOCMS-FRRDWIJNSA-N 221.344 2.895 30 20 BFED C=CC(C)(C)CN=c1cc(C)nc(C2CC2)[nH]1 450723666 JDBCBXUTPYUNEN-UHFFFAOYSA-N 231.343 2.708 30 20 BFED C=C(C)CCN(C)[C@@H](CO)CC(C)(C)C 451785692 GRDUKHBWEXIDGB-GFCCVEGCSA-N 213.365 2.682 30 20 BFED 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BFED C=C(C)CCNC(=O)N1CC[C@H](c2ccco2)C1 653056267 INCMONABWOUSNG-LBPRGKRZSA-N 248.326 2.745 30 20 BFED C=CCC(C)(C)CNC(=O)N1CC(C)(C)C1 655967308 UAVRWADLEQATGN-UHFFFAOYSA-N 224.348 2.640 30 20 BFED C=C(CC)Cn1cc(CNC2CCCCC2)nn1 656453011 REBTUCSSIVKDLG-UHFFFAOYSA-N 248.374 2.667 30 20 BFED C=C[C@H](C)NCc1cc2ccncc2s1 657393264 SAWQCZGCUYRJFX-VIFPVBQESA-N 218.325 2.960 30 20 BFED C=CC[C@@H]1CCCC[C@H]1NCCC1(CO)CC1 658029456 QDTYRBVJVQBFSB-ZIAGYGMSSA-N 237.387 2.874 30 20 BFED C=CCSCCNCc1ccc(Cl)cn1 703907484 WEBKZXZKEQTOJT-UHFFFAOYSA-N 242.775 2.744 30 20 BFED C=CCCC[C@@H](C)N[C@H](C)c1cn(C)cn1 709987903 WXXCWJVZMKQTIC-VXGBXAGGSA-N 221.348 2.816 30 20 BFED C=CCCOC(=O)c1ccc2[nH]ccc2c1 730922280 WERIIUYBZNQGAA-UHFFFAOYSA-N 215.252 2.901 30 20 BFED c1ccc2c(NN=C3CCCC3)cnnc2c1 733748373 UABKPKTZBAYIDN-UHFFFAOYSA-N 226.283 2.972 30 20 BFED C#CCSCCNC(=O)[C@@H](CC)CCCC 739821864 WQGDVVJENRTQRZ-LBPRGKRZSA-N 241.400 2.685 30 20 BFED CCCCCCCN1CC[S@](=O)[C@@H](C)[C@H]1C 740878507 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20 BFED COC1(C=NNc2ncccc2F)CCCC1 794991405 YEIGCWNEGJGAGE-UHFFFAOYSA-N 237.278 2.578 30 20 BFED C=CCNN=Cc1cc2cc(F)ccc2o1 794997901 BKQQRDRLBBXGCD-UHFFFAOYSA-N 218.231 2.681 30 20 BFED CCC[C@@](C)(CC)C(=O)OCCO[C@H](C)C#N 801867488 QUFGXZLKVCZZLJ-DGCLKSJQSA-N 241.331 2.675 30 20 BFED C[C@H](C#N)OCCSCCc1cccs1 802752303 PMZCEDPTAGVDBY-SNVBAGLBSA-N 241.381 2.952 30 20 BFED C=CCCCCOC(=O)c1scnc1C 811012746 VTQAEIULEVRKSS-UHFFFAOYSA-N 225.313 2.965 30 20 BFED CC(C)(C)CCOC(=O)c1cc(O)cc(C#N)c1 811187339 OPALRRIEOMMHLD-UHFFFAOYSA-N 247.294 2.857 30 20 BFED CO[C@]1(C)CC(=NOCCOC(C)C)C1(C)C 812239487 VEJWSZJCCULYTP-CYBMUJFWSA-N 243.347 2.619 30 20 BFED C=CC[C@@H](CC)NC(=O)NOC[C@H](C)CC 813743962 ZVHAHIFBPFVSOW-GHMZBOCLSA-N 228.336 2.618 30 20 BFED Clc1ccc(NN=C2COC2)c(Cl)c1 814751525 NWSARXJKFZMLKZ-UHFFFAOYSA-N 231.082 2.792 30 20 BFED CCC(CC)NN=C1COc2ccccc21 814851822 WFZYHESSKOWCDL-UHFFFAOYSA-N 218.300 2.561 30 20 BFED CCC(CC)CNN=C[C@](C)(OC)C1CC1 814906557 ZYHVXGAZHHSSDG-ZDUSSCGKSA-N 226.364 2.813 30 20 BFED CO[C@@](C)(C=NNc1ncccc1C)C1CC1 814911529 MLGWZJYMUQZNDY-ZDUSSCGKSA-N 233.315 2.603 30 20 BFED Cc1cc(C)c(C(=O)O)cc1C=NOC1CCC1 814936154 BGDLGJKETUKSIU-UHFFFAOYSA-N 247.294 2.905 30 20 BFED C[C@@H]1CCCC[C@H]1C(=O)OCC1(C#N)CC1 820932885 QGQFSTJBXQKYPY-GHMZBOCLSA-N 221.300 2.660 30 20 BFED CC(C)C#CC(=O)N(C)[C@H](C)C(C)(C)C 820983769 YNXJYWNSXCTEDZ-LLVKDONJSA-N 209.333 2.539 30 20 BFED C=CCCONC(=O)c1ccsc1C(F)F 825565416 COHJESALXRQQDK-UHFFFAOYSA-N 247.266 2.923 30 20 BFED C#CCCCCNC(=O)Cc1cc(C)cc(C)c1 830035586 OJMCVDFWWMEDNZ-UHFFFAOYSA-N 243.350 2.766 30 20 BFED C#CC[C@@H](NC(=O)C#CC(C)C)c1ccccc1 831238294 XYMYOHJXFHKFAW-OAHLLOKOSA-N 239.318 2.527 30 20 BFED C=CCON=C(C)Cc1ccc(O)cc1 835014180 BPQXQEFNSRFQKJ-UHFFFAOYSA-N 205.257 2.513 30 20 BFED N#CCCCCOC(=O)CC1CC(F)(F)C1 835160370 UYTOYPHADUXHDK-UHFFFAOYSA-N 231.242 2.659 30 20 BFED CC[C@@H]1CCC[C@H]1C(=O)OC1(C#N)CCC1 835212189 LYWULFSQVYHLDX-GHMZBOCLSA-N 221.300 2.802 30 20 BFED C=CCONC(=O)NC(CC(C)C)CC(C)C 838707003 DSTZCAGJBPFGRO-UHFFFAOYSA-N 242.363 2.864 30 20 BFED C=C(CC)COC(=O)CCc1scnc1C 840603851 RYFBEEDWLJXHGG-UHFFFAOYSA-N 239.340 2.894 30 20 BFED CCCC(=NOCCOC)[C@@H]1CC1(C)C 841628158 ONGNPTJJSBHIPL-JTQLQIEISA-N 213.321 2.852 30 20 BFED CO[C@H](C=NNc1cccc(F)n1)CC(C)C 841636733 CXLBOZDVKFLUDM-JTQLQIEISA-N 239.294 2.680 30 20 BFED C#C[C@@H](OC(=O)C(C)(C)COC)c1ccccc1 842391340 LFSNIQUOUHRPHD-CYBMUJFWSA-N 246.306 2.577 30 20 BFED COCCCNN=C(C)[C@@H]1C[C@H]2C=C[C@H]1CC2 842532485 ZAZLDKXFZDZAJN-IHRRRGAJSA-N 236.359 2.591 30 20 BFED C=C(C)CONC(=O)N[C@@H](C)C1CCCCC1 845597053 AZDNHHCBBIDGTA-NSHDSACASA-N 240.347 2.762 30 20 BFED COC[C@H](C)NN=C1CCc2cc(C)cc(C)c21 848408573 SEUBNNXIXOYTPH-LBPRGKRZSA-N 246.354 2.578 30 20 BFED C#C[C@H](C)OC(=O)[C@@]1(c2ccccc2)CC1(C)C 850856948 JLVLPKBTUQMJTG-LRDDRELGSA-N 242.318 2.919 30 20 BFED C#CCCCCC(=O)OCC1CC(C)C1 851463598 ZGMVVXSGFKLWKE-UHFFFAOYSA-N 208.301 2.769 30 20 BFED C#CCOCCN1C[C@@H](C)C[C@@H]1c1ccccc1 852046647 UWPZAADVJZLADJ-GOEBONIOSA-N 243.350 2.719 30 20 BFED C=CC[C@@H]1CCCN([C@@H]2CC[C@H](OC)C2)C1 852410450 MGODHTAEIAECCN-MCIONIFRSA-N 223.360 2.842 30 20 BFED C=C(C)CNC(=S)N1[C@H]2CC[C@H]1CC(C)C2 853044112 SZPUDCWATNZOBY-RYUDHWBXSA-N 238.400 2.700 30 20 BFED C#Cc1cccnc1N[C@@H](C)[C@@H](C)CC 853359856 TXPUXPVYZCMJMM-QWRGUYRKSA-N 202.301 2.909 30 20 BFED C#Cc1cccnc1NCC[C@H](OCC)C(C)C 853396585 MGNWQOJHHIBDKL-AWEZNQCLSA-N 246.354 2.926 30 20 BFED C#Cc1cccnc1NC[C@@H]1CC[C@H](C)C1 853564366 OXGDBHPORIZXHA-NWDGAFQWSA-N 214.312 2.911 30 20 BFED C=CCCCCC[C@H](C)N[C@H](C)CNC 854231065 DANSAOZRCOWNAA-QWHCGFSZSA-N 212.381 2.709 30 20 BFED C#C[C@@](C)(CC)NC(=O)C(C)=C1CCCC1 854699045 NYXVQAQCSMRSNU-AWEZNQCLSA-N 219.328 2.795 30 20 BFED C=CCN(C(=O)[C@H](F)C(F)(F)F)C(C)(C)C 857651106 RWCDWNCOOBOWAH-ZETCQYMHSA-N 241.228 2.700 30 20 BFED COc1cc(C=NNCC(C)C)ccc1Cl 863104389 DNHPVLOYNLFQBP-UHFFFAOYSA-N 240.734 2.928 30 20 BFED CC(C)C[C@H]1CCCC(=NNCC(C)(C)O)C1 863139393 UDZSVYRZWMVYDV-GFCCVEGCSA-N 240.391 2.939 30 20 BFED 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223.291 2.560 30 20 BFED C#Cc1cnc(NCCCSCC(C)C)nc1 827813159 NBPQMWFUCOLKFC-UHFFFAOYSA-N 249.383 2.649 30 20 BFED CCc1ccccc1CNC(=O)C#CC(C)C 828497069 PYBFQRWVWFVSSN-UHFFFAOYSA-N 229.323 2.525 30 20 BFED C=CCC1(C(=O)NOCCC2CC2)CCCC1 832845890 UXSZMARFDIDDJS-UHFFFAOYSA-N 237.343 2.971 30 20 BFED C=CC[C@H](C)N[C@@H](CC)C1(C(=O)O)CCC1 833371501 TWOYUYMHBMCEQU-QWRGUYRKSA-N 225.332 2.574 30 20 BFED C=CCCC[C@@H](C)N1CCC(CC(=O)O)CC1 833373510 RBHKNGCIRLDQBF-GFCCVEGCSA-N 239.359 2.918 30 20 BFED CC[C@H](C)[C@@H](C=NNc1cccc(F)n1)OC 834979795 NVOLQIBOKFKVIZ-VHSXEESVSA-N 239.294 2.680 30 20 BFED C[C@H](NN=C1CCC[C@H]1C)C(F)(F)F 834999022 ASIAUPGWCVZEJQ-RQJHMYQMSA-N 208.227 2.703 30 20 BFED Cc1ccc(C=NN[C@H]2CCOC2(C)C)s1 835015982 UOMZJGUKVHNLRM-NSHDSACASA-N 238.356 2.548 30 20 BFED C#C[C@H](CC)OC(=O)c1scnc1C(C)C 835308261 DYAFXUAKQIKHMT-SECBINFHSA-N 237.324 2.835 30 20 BFED C=C[C@H](OC(=O)/C=C\[C@@H]1CCOC1)C(C)(C)C 835390124 AXAHGAGXVNMTNY-PBWNMSGQSA-N 238.327 2.723 30 20 BFED 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30 20 BFED C#CCN(C)C(=O)c1cc(CC)c(CCC)s1 191063878 JRIWPXBZQASFTI-UHFFFAOYSA-N 249.379 2.968 30 20 BFED C=C[C@](C)(CC)C(=O)N(CCO)CCCCC 191174549 WFTUTILMXUWEIP-CQSZACIVSA-N 241.375 2.600 30 20 BFED C[C@@H]1CC[C@@H](C)N(Cc2cc(C#N)n(C)c2)C1 191377339 UGJFEPOJUISDEP-VXGBXAGGSA-N 231.343 2.517 30 20 BFED CC#CCSCC1CCC2(CC1)OCCO2 192112252 DRDUPIIUDFVQAO-UHFFFAOYSA-N 240.368 2.676 30 20 BFED C[C@@H]1CCN(Cc2ccc(C#N)cc2)CCS1 192188600 NSYAEWKBCSILPI-GFCCVEGCSA-N 246.379 2.886 30 20 BFED C#CCCCC(=O)Nc1cc(C)nc(C(C)C)n1 192232842 NGIWOOVCGUQETK-UHFFFAOYSA-N 245.326 2.650 30 20 BFED C=CCN(Cc1ccccc1F)C[C@H]1CCCO1 194219763 FJHZJEJPTIEVSE-CQSZACIVSA-N 249.329 2.993 30 20 BFED N#Cc1cnc(NCc2ccccn2)c(Cl)c1 224076404 PBVSXVWUNPOLEV-UHFFFAOYSA-N 244.685 2.614 30 20 BFED C#Cc1cccc(N[C@H](C)[C@@H](C)OC)c1 229372816 PJVGSUWWRPEHSO-GHMZBOCLSA-N 203.285 2.503 30 20 BFED C#C[C@H](CC)NC1CCN(c2ccccc2)CC1 229884165 XMJCTGXZBYGVPN-CQSZACIVSA-N 242.366 2.657 30 20 BFED CC[C@H](C#N)OC(=O)[C@@H]1CCC[C@@H](C)C1 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CSKAMLZKZZWZLJ-UHFFFAOYSA-N 235.308 2.591 30 20 BFED Clc1ccc(C=NNc2cccnn2)cc1 735976113 CELZADDUHMOIGG-UHFFFAOYSA-N 232.674 2.576 30 20 BFED CC1(C)C(=NNc2ccccn2)[C@H]2CCCO[C@H]21 743425990 DQHWAQGIJAMCJB-ZWNOBZJWSA-N 245.326 2.685 30 20 BFED C=C(C)CCOC(=O)c1ccnc(Cl)c1 744304535 RMXQOCRXPAHYGT-UHFFFAOYSA-N 225.675 2.858 30 20 BFED C#CCOc1ccc(NC(=O)/C(C)=C/C)cc1 751195714 RHADHMVONSPVER-VZUCSPMQSA-N 229.279 2.603 30 20 BFED Cc1ccc2ncc(C=NOCC(C)C)n2c1 755802811 XAXRCBZXSZPCOK-UHFFFAOYSA-N 231.299 2.649 30 20 BFED CC1CCC(=NNc2ncc(F)cn2)CC1 760261730 CCFVQMCJOXNLKI-UHFFFAOYSA-N 222.267 2.594 30 20 BFED C#CCCc1noc(-c2cc(F)ccc2F)n1 762015163 XPPDYQWVDGLDRF-UHFFFAOYSA-N 234.205 2.581 30 20 BFED CC#CCCOC(=O)c1nc(Cl)sc1C 763278020 QIVJFPOMFXAPLT-UHFFFAOYSA-N 243.715 2.675 30 20 BFED CC(C)[C@@H]1CCCC1=NOC1CCOCC1 774452509 YVIIEGSFSWOXHX-LBPRGKRZSA-N 225.332 2.994 30 20 BFED COc1cccc(C=NOC2CCCC2)c1OC 774609552 XLCGWTDXBSQYKA-UHFFFAOYSA-N 249.310 2.997 30 20 BFED COC[C@H](C)NN=C(C)c1coc2ccccc12 777901270 BZBHCHPBFRFODB-JTQLQIEISA-N 246.310 2.781 30 20 BFED C#CCCCCNC(=O)[C@H]1CCC(C)(C)C1 781696313 BLRAMRPSRRXJOD-LBPRGKRZSA-N 221.344 2.732 30 20 BFED Cc1cc(COC(=O)c2ccco2)ccc1C#N 782008928 QXJXFWKCMNMXFW-UHFFFAOYSA-N 241.246 2.817 30 20 BFED CC1(C=NNc2ccc(C(F)(F)F)nn2)CC1 782255738 XBNAFQNIZJNZRX-UHFFFAOYSA-N 244.220 2.693 30 20 BFED CC(=NNCCC(C)(C)C)c1cnc(C)nc1C 782903436 VXAPUPHVXISQJQ-UHFFFAOYSA-N 248.374 2.843 30 20 BFED CCN(C(=O)[C@H](F)C(C)C)c1ccc(C#N)cc1 784123020 SHJVGQDRCDAIBL-CYBMUJFWSA-N 248.301 2.905 30 20 BFED N#CCC1(COC(=O)C23CCC(CC2)C3)CC1 784882265 DULVDOFZUKOLPM-UHFFFAOYSA-N 233.311 2.804 30 20 BFED C/C=C(/CC)C(=O)OCCC(C)(C)C#N 789229566 GAMPUIYPZUFYGV-YHYXMXQVSA-N 209.289 2.826 30 20 BFED C#C[C@@H](CCC)NC(=O)N[C@H](C)CCC(C)C 791065599 VVBYLSZDPCUTTN-OLZOCXBDSA-N 238.375 2.912 30 20 BFED C#C[C@@H](CC)NC(=O)[C@H](F)CC1CCCCC1 793962571 SSNDJMDHEIWATJ-QWHCGFSZSA-N 239.334 2.823 30 20 BFED C=CCNN=C1CC(C)(C)c2ccccc21 794994223 OUCJVKHHNSIWSV-UHFFFAOYSA-N 214.312 2.848 30 20 BFED C[C@H](C#N)OCCSCCC(F)(F)F 801659700 PBZHAISPUIGXJS-SSDOTTSWSA-N 227.251 2.601 30 20 BFED C#Cc1ccccc1CC(=O)OCCC(=C)C 810599262 BNYZHRNHFVQWSJ-UHFFFAOYSA-N 228.291 2.720 30 20 BFED CC[C@H](O)CNN=C1CCC[C@H](C(C)C)C1 811653995 LCNQZIRQFHNLBG-AAEUAGOBSA-N 226.364 2.549 30 20 BFED CC(Cn1cccn1)=NNc1ccccc1F 814789245 CRCJCYYZBRROJN-UHFFFAOYSA-N 232.262 2.510 30 20 BFED CCOC1CC(=NNc2ncccc2Cl)C1 814810540 PQQVFHLKNZLLBO-UHFFFAOYSA-N 239.706 2.702 30 20 BFED Cc1c(C(=O)OCC2(C#N)CC2)ccn1C(C)C 815314724 DTJLRCLNRDFLJQ-UHFFFAOYSA-N 246.310 2.838 30 20 BFED CCN(C(=O)c1cc(C#N)ccc1F)C1CCC1 828278175 UERUXFHSCWSFGG-UHFFFAOYSA-N 246.285 2.712 30 20 BFED N#CC1(CSc2ccc(Cl)nn2)CCC1 828964611 AFFIEMQOMLSMAN-UHFFFAOYSA-N 239.731 2.916 30 20 BFED COc1cc(C)c(C=NOC(C)C)cc1OC 834999345 AMPOXNUFJXTAFA-UHFFFAOYSA-N 237.299 2.771 30 20 BFED C[C@H]1C[C@H](C)CCC1=NN[C@H]1CCOC1(C)C 835015470 DJIZLSUOHNTKJV-MDZLAQPJSA-N 238.375 2.956 30 20 BFED C=C(C)[C@H](C)OC(=O)C1(C)CCC(=O)CC1 835299024 VYSJWFCGYUUBJM-JTQLQIEISA-N 224.300 2.644 30 20 BFED C=CC(C)(C)COC(=O)C[C@@H]1CCCCO1 835724336 JCMPIZAXDDFWJB-NSHDSACASA-N 226.316 2.701 30 20 BFED C=CCCCCOC(=O)CC1(O)CCCC1 837530096 GYGBGGFNTJBGFF-UHFFFAOYSA-N 226.316 2.581 30 20 BFED N#CCCSCc1ncc(Cl)nc1Cl 840213641 OSVALCOYUDVQKU-UHFFFAOYSA-N 248.138 2.930 30 20 BFED Cc1c(NC(=O)C#CC2CC2)ccc(F)c1F 840577057 VHCPIZIRUPZLKB-UHFFFAOYSA-N 235.233 2.625 30 20 BFED C[C@@H]1CC(C)(C)CCC1=NN(C)[C@H](C)CO 842541213 QAQBQYUHRFNEFZ-GHMZBOCLSA-N 226.364 2.501 30 20 BFED C=C[C@@H](C)ON=C(C)c1cccc(NC(C)=O)c1 844623317 LRIJTTPEYVKWJO-SNVBAGLBSA-N 246.310 2.960 30 20 BFED C=C[C@@H](C)ONC(=O)N(C)[C@@H](C)CCCC 845614292 BIYKRMRUENBIPF-WDEREUQCSA-N 228.336 2.713 30 20 BFED C#CC(=O)Nc1ccc(N(CCC)CCC)cc1 846481891 PFFRFGJHWKYIIG-UHFFFAOYSA-N 244.338 2.885 30 20 BFED C#C[C@H](NC(=O)c1c(C)cc(F)cc1C)C(C)C 847113836 MEUSAVHVPHQGOI-ZDUSSCGKSA-N 247.313 2.830 30 20 BFED CC[C@H](SC)C(=O)O[C@H](C)CC(C)(C)C#N 851208300 RHCUQPWFBQRDKL-ZJUUUORDSA-N 243.372 3.000 30 20 BFED C=CC[C@@H]1CCCN(C(=O)NCC(=C)Cl)C1 852123659 TUFJWWRUGDLYJD-LLVKDONJSA-N 242.750 2.737 30 20 BFED CCCCCCCCCNC(=O)[C@H]1C[C@H](N)C1 852804955 KULWEPWMISXFPT-JOCQHMNTSA-N 240.391 2.591 30 20 BFED CO[C@H](C=NO[C@@H]1CCCCO1)C1CCCC1 853326399 ZJXCUPUQZYKXSR-CHWSQXEVSA-N 241.331 2.721 30 20 BFED C#CCCOC(=O)N[C@H](C)CCc1ccccc1 858875405 CVRPDEXTNWORCC-CYBMUJFWSA-N 245.322 2.757 30 20 BFED C=CCC(C)(C)COC(=O)c1conc1C 860785745 IXBUIVOXUHLGDG-UHFFFAOYSA-N 223.272 2.742 30 20 BFED C#CC[C@H](CCOC)N[C@@H]1CCC[C@H](CC)C1 862547639 LDBONCYOPTZVJS-RRFJBIMHSA-N 237.387 2.973 30 20 BFED C(=NN[C@@H]1CCSC1)c1ccc2cc[nH]c2c1 863113694 PYXVHPNZISNTHK-GFCCVEGCSA-N 245.351 2.597 30 20 BFED CC[C@@H]1CCC[C@@H](C=NNCC(C)(C)O)C1 863138719 RBVGVRHNOCCTPN-VXGBXAGGSA-N 226.364 2.549 30 20 BFED CC(=NNc1cccc(C)n1)c1csc(C)n1 863159969 LUGKWVKIILBURJ-UHFFFAOYSA-N 246.339 2.991 30 20 BFED CCCc1ccc(C(=O)O[C@H](C)C#N)s1 869936947 OGXZJMKUKMQDQX-MRVPVSSYSA-N 223.297 2.769 30 20 BFED CC(Cc1cccc(C)c1)=NNc1cnn(C)c1 872369357 JQTFWQHUJLWHCK-UHFFFAOYSA-N 242.326 2.759 30 20 BFED Cc1c(Cl)cccc1C=NN1CCC1 872398683 BSICELHATKEOBU-UHFFFAOYSA-N 208.692 2.688 30 20 BFED Cc1nc(C#N)cc(N2C[C@@H](C)CCC[C@H]2C)n1 882016303 INHLUOYQLWKAFL-WDEREUQCSA-N 244.342 2.672 30 20 BFED CO[C@H](CNc1ccc(C)nc1C#N)CC(C)C 882466701 RYWZUUFHYZSXFC-LBPRGKRZSA-N 247.342 2.735 30 20 BFED C=C(Cl)CNCc1ccc(SC)o1 883014826 BKQGHQOICLSJDF-UHFFFAOYSA-N 217.721 2.844 30 20 BFED C[C@H]1Cc2cc(NC(=O)CCCC#N)ccc2O1 885597568 RKDKXZPJUOQSJV-JTQLQIEISA-N 244.294 2.642 30 20 BFED CC[C@H](C)CCC(=O)N(CC#N)c1ccccn1 892477588 UWJRLYTUTUXYGW-LBPRGKRZSA-N 245.326 2.764 30 20 BFED N#CCC1(CNc2cc(C(F)F)ncn2)CC1 893649606 UKRHEKBMJGOVIY-UHFFFAOYSA-N 238.241 2.520 30 20 BFED C=C[C@@H]1CCCCN1Cc1ocnc1C 894584027 PTXRPEFKQOTLMC-LLVKDONJSA-N 206.289 2.524 30 20 BFED C=C[C@@H]1OCCC[C@H]1N[C@H](C)CSCCC 894738241 LKLLZLPJSOYLAX-UPJWGTAASA-N 243.416 2.841 30 20 BFED C=CCC(CC=C)c1nc(-c2ccnn2C)no1 896861486 ZTVSZKNAIHTJRC-UHFFFAOYSA-N 244.298 2.706 30 20 BFED O=C(c1ccccc1)N(O)Cc1ccc(F)cc1 899895445 VQWIKASOQSLPPN-UHFFFAOYSA-N 245.253 2.857 30 20 BFED CC[C@H](C)NC(=O)/C=C\C(=O)c1ccc(C)cc1 899904364 KWCRIJSTLJKRAU-PRDAAYKISA-N 245.322 2.649 30 20 BFED C[C@H]1CC(C)(C)CN1C(=O)c1ccsc1C#N 910461851 BFWOPCFWKJPAIC-VIFPVBQESA-N 248.351 2.880 30 20 BFED C=C[C@H](CC)CC(=O)Nc1cccc(CN)c1 911647551 BITDMJNPPLVJNE-LLVKDONJSA-N 232.327 2.686 30 20 BFED CCCC(CCC)=NNc1ncccn1 912973288 QKDBZAWWXBPZAI-UHFFFAOYSA-N 206.293 2.845 30 20 BFED C=CCN(C(=O)Nc1nccs1)C(C)C 919653094 RPOQMCGTZGPVRE-UHFFFAOYSA-N 225.317 2.571 30 20 BFED C=C(C)COC(=O)c1cc(C2CC2)nn1CC 923285848 GHVSXMJNKMHNMM-UHFFFAOYSA-N 234.299 2.513 30 20 BFED C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](C#N)C1 932147592 GMJKCBRUGSFTKD-GXTWGEPZSA-N 239.322 2.855 30 20 BFED Cc1ccc(C#N)cc1C(=O)NC(C)(C)C1CC1 933467143 LCGXJAWIXMIIHP-UHFFFAOYSA-N 242.322 2.785 30 20 BFED CC(C)CC(=O)Nc1cnc(Cl)cc1C#N 1116895619 FKOSUIKSKZLDRT-UHFFFAOYSA-N 237.690 2.591 30 20 BFED CC[C@H](C#N)N(C)C(=O)C1C[C@H]2CCC[C@H](C1)C2 1118308391 KFJGWPNNBAEWPZ-SGMGOOAPSA-N 248.370 2.963 30 20 BFED C=C(CC)C(=O)N[C@@H](C)c1ccccc1 1123650805 FFNWOWFZMXSYQE-NSHDSACASA-N 203.285 2.830 30 20 BFED C=C(CC)C(=O)N[C@@H]1CCCC[C@H]1SC 1164503927 NNTTUGYIKDGQNK-GHMZBOCLSA-N 227.373 2.743 30 20 BFED C[C@H](CC#N)Nc1cc(-c2ccccc2)ncn1 1185332022 TVLPTNYQIKNCMB-LLVKDONJSA-N 238.294 2.858 30 20 BFED C/C=C(/CC)C(=O)Nc1cc(C#N)cc(C)n1 1262086675 OGAGCZZTCBAEKF-WCIBSUBMSA-N 229.283 2.557 30 20 BFED CCCCCCCc1nnc(-c2cnn(C)c2)o1 1324215981 QRMFEHQOZPCYGY-UHFFFAOYSA-N 248.330 2.983 30 20 BFED CC(C)(C)ON=Cc1cc2cnccc2o1 1329597856 RGFCZTIELPZSDS-UHFFFAOYSA-N 218.256 2.977 30 20 BFED C=CC[C@@H](NC[C@H](CC)c1ccccc1)C(=O)O 1331932841 TWKSAKVHFBCFFS-GXTWGEPZSA-N 247.338 2.799 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@@H]1C=CCCC1 1335262615 OAUSNXTWJSOEIO-NWDGAFQWSA-N 207.317 2.814 30 20 BFED C=CCC[C@H]1CCCN1C(=O)c1conc1CC 1336237594 DUUHWSZFBABIHO-NSHDSACASA-N 248.326 2.808 30 20 BFED C=C(C)CCC(=O)N(C)Cc1cccc(O)c1 1337133757 RCYDOKPNKDYZSO-UHFFFAOYSA-N 233.311 2.707 30 20 BFED N#Cc1ccc(NC(=O)[C@H]2C[C@H]2F)c(Cl)c1 1337448527 ROLJZFAHZNCSPC-IONNQARKSA-N 238.649 2.508 30 20 BFED Cc1cc(C(=O)O[C@@H]2CC[C@H](C#N)C2)oc1C 1343332592 WXNLPDZPIXXOPT-WDEREUQCSA-N 233.267 2.746 30 20 BFED C=C(C)CCC(=O)OCCOCC1CCC1 1348648926 ANFUARJDXSHZSA-UHFFFAOYSA-N 226.316 2.703 30 20 BFED CCC[C@H](C)NC(=O)c1ccc(C#N)cc1F 1353500306 CPTZSMIUCMBVMA-VIFPVBQESA-N 234.274 2.616 30 20 BFED C#Cc1ccc(N2C[C@H]3CCC[C@@H](C3)C2)nc1 1515753047 GRCJJDXCIXZQGW-KBPBESRZSA-N 226.323 2.689 30 20 BFED CC1(C)Nc2ccccc2[C@@H]1NCC1(C#N)CC1 1576493579 PERSMHYXXGLMCI-ZDUSSCGKSA-N 241.338 2.825 30 20 BFED C[C@H](CCC#N)CN1C[C@H]2CCCC[C@H]21 1621425827 KVLGSDCYPCLWHA-JHJVBQTASA-N 206.333 2.801 30 20 BFED C=CCN[C@H](C)c1cc(C)ccc1OC 19875971 ZWAHNKLZMFJBKH-LLVKDONJSA-N 205.301 2.840 30 20 BFED CC[C@@H](CC#N)Nc1cccc(F)c1C#N 36158133 OEXRMPPQRDWFRL-VIFPVBQESA-N 217.247 2.802 30 20 BFED Cc1cc(C#N)ccc1NCC(C)(C)CN(C)C 37996189 JLQDZTMGZBALJI-UHFFFAOYSA-N 245.370 2.866 30 20 BFED CC(C)[C@H](C)NC(=O)Nc1ccc(C#N)cc1 45027034 DYLVAKXZBFIUEE-JTQLQIEISA-N 231.299 2.724 30 20 BFED C=C(Cl)CSc1nnc2ccccn12 47821708 UJLFLXLEHABDPY-UHFFFAOYSA-N 225.704 2.574 30 20 BFED CCOc1cccc(CNCCCCC#N)c1 49578431 CXYQLIHYBWNHCL-UHFFFAOYSA-N 232.327 2.869 30 20 BFED N#CCCCNC(=O)Nc1ccccc1Cl 54138251 MQOTYDHPRSIXMD-UHFFFAOYSA-N 237.690 2.765 30 20 BFED C=CCN(CCCC#N)Cc1ccc(OC)cc1 54272337 ADERTRUSLWBHOM-UHFFFAOYSA-N 244.338 2.987 30 20 BFED N#Cc1nccnc1Nc1cccc(Cl)c1 54379091 CDSYVGUDSXQECG-UHFFFAOYSA-N 230.658 2.745 30 20 BFED CC(=O)/C=C/c1cc(F)c(F)c(F)c1 70586469 MNJNZGMXULKCEI-NSCUHMNNSA-N 200.159 2.706 30 20 BFED C=CCNC(=O)N(C)[C@@H](CC)Cc1ccccc1 80580052 CXDWTHIHXKWCHE-AWEZNQCLSA-N 246.354 2.835 30 20 BFED C[C@@H](CC#N)N(C)Cc1nc2c(s1)CCCC2 83085088 STDDWAZANYCXGT-JTQLQIEISA-N 249.383 2.756 30 20 BFED CC[C@H](C#N)NC(=O)C[C@@H](C)c1cccc(F)c1 116185874 NSVLFUTUNDPMFH-ZWNOBZJWSA-N 248.301 2.738 30 20 BFED CCN(CC#N)Cc1cc(-c2cccs2)on1 121015799 RLICHZRSUNSYAU-UHFFFAOYSA-N 247.323 2.749 30 20 BFED C=CCN(CC=C)C(=O)[C@@H]1C[C@H]1c1ccco1 121509792 PBUXEVPDQSWPBF-VXGBXAGGSA-N 231.295 2.584 30 20 BFED C=C(C)CNC(=O)CSCc1cccs1 123075057 LJYJPXDYZRLUKY-UHFFFAOYSA-N 241.381 2.674 30 20 BFED C=C[C@@H](C)NC(=O)N[C@@H](C)Cc1ccccc1C 128532183 VVEWGZWGWODMHJ-OLZOCXBDSA-N 246.354 2.800 30 20 BFED CC(C)(C#N)CN[C@@H]1CCCc2occc21 129219444 BXRQNKKPHDEXBE-LLVKDONJSA-N 218.300 2.796 30 20 BFED Cc1ccc(C)c(NC(=O)c2ccc(C#N)[nH]2)c1 129540402 MMKKISCMWULRIK-UHFFFAOYSA-N 239.278 2.756 30 20 BFED CC1CC(C#N)(C(=O)N2CC[C@H](C(C)(C)C)C2)C1 131576499 KWMINYDSMQJXHG-AVERBVTBSA-N 248.370 2.821 30 20 BFED C[C@H]1CC[C@H](NC(=O)C2(C#N)CCCCC2)C1 132702799 YLNWTDWXVORZRC-RYUDHWBXSA-N 234.343 2.765 30 20 BFED C=C(Cl)CNC(=O)c1ccc(Cl)cc1F 134809242 RVFYRBIVEBJUQE-UHFFFAOYSA-N 248.084 2.961 30 20 BFED CC(C)(CCC#N)CNCCCOCC1CC1 135134989 KGSNYWHGWLOZKC-UHFFFAOYSA-N 238.375 2.723 30 20 BFED C#CCCCCNC(=O)NCC(CC)CC 150877436 PWNNIPZBWYZWDK-UHFFFAOYSA-N 224.348 2.525 30 20 BFED COc1cc(F)cc(NCc2ccc(C#N)o2)c1 152022033 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C#CCCCC(=O)Nc1ccc(C)c(F)c1 192034838 ADQHLVKONYYREP-UHFFFAOYSA-N 219.259 2.876 30 20 BFED C#CCCCC(=O)OCc1ccccc1F 192043158 VMCSJTPREUPIMM-UHFFFAOYSA-N 220.243 2.672 30 20 BFED C#CCCCC(=O)Nc1ccc2c(c1)CCC2 192043418 NUPFSZGKOPSDGU-UHFFFAOYSA-N 227.307 2.917 30 20 BFED C=CC[C@H](C)NC(=O)Nc1ccc(COC)cc1 192593420 YOMIUUSKGLXJNK-NSHDSACASA-N 248.326 2.919 30 20 BFED COc1cc(C#N)ccc1OC/C=C\Cl 210721584 MVVZJGQSHGQGAK-DJWKRKHSSA-N 223.659 2.698 30 20 BFED C=CCCCCCN[C@@H]1CCC[C@H]1OC 234779955 MWMMRXTZZDHIGV-CHWSQXEVSA-N 211.349 2.890 30 20 BFED C=C[C@](C)(CC)C(=O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 249066004 IRMMJHRRMLDGFA-HHHUMZEGSA-N 233.355 2.749 30 20 BFED C/N=C(/NC(C)C)N[C@@H]1C[C@H]1C1CCCCC1 262353971 FPWDTNJGLDQVQD-QWHCGFSZSA-N 237.391 2.529 30 20 BFED C=CC[C@@H](C)NC(=O)NCc1ccccc1C 265430200 MRCDCYXYVBADLC-GFCCVEGCSA-N 232.327 2.759 30 20 BFED CN(C(=O)[C@H]1CC=CCC1)c1ccc(C#N)cc1 266150225 HBVGLUQFFCASTI-ZDUSSCGKSA-N 240.306 2.877 30 20 BFED C[C@H]1CC/C(=C\C(=O)N[C@H](C#N)C(C)(C)C)C1 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C[C@H](C#N)CNc1nc2ccccc2s1 301446624 RFTFEZOZUPXODO-MRVPVSSYSA-N 217.297 2.868 30 20 BFED Cc1nc(C)c(C)c(NCCCCC#N)n1 301696270 PVAFQPKAMSHUPI-UHFFFAOYSA-N 218.304 2.508 30 20 BFED C=C[C@H](C)Nc1ccc(OC(F)(F)F)cn1 302561989 LWONQHSAXSATOR-ZETCQYMHSA-N 232.205 2.967 30 20 BFED CC(C)(C)CCC(=O)N1CCC[C@H](C#N)C1 304165342 ZVJNXOFJAKOMIK-LLVKDONJSA-N 222.332 2.575 30 20 BFED C=C(Cl)COC(=O)[C@H](C)C(C)(C)C 308145349 LLLZIBUVSVMBRO-QMMMGPOBSA-N 204.697 2.964 30 20 BFED Cc1cc(NC[C@H]2CCCCS2)cc(C#N)n1 308269801 SMBWZWQUEFXUHD-CYBMUJFWSA-N 247.367 2.959 30 20 BFED CC#CCNc1ccc(Cl)c(C(=O)OC)c1 309953934 HKGJSUVJJLESAI-UHFFFAOYSA-N 237.686 2.562 30 20 BFED C=CCC[C@H](C)NCCC1(OC)CCC1 310454386 CKKJTDVQNJZSJI-LBPRGKRZSA-N 211.349 2.890 30 20 BFED C=C(CC)CNC(=O)c1ccc(Cl)o1 313505588 YIUOGCYLWZTAFH-UHFFFAOYSA-N 213.664 2.629 30 20 BFED C=CCC[C@@H](CO)N[C@@H](C)CCC(C)C 320435992 HUZOTTOFJCQVEX-STQMWFEESA-N 213.365 2.728 30 20 BFED CC[C@@H]1CCC[C@H]1NC(=O)NCC1(C#N)CCC1 331563835 JKGKYGDLOPHZLF-VXGBXAGGSA-N 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C=C(C)CN1CCOC[C@@H]1c1ccccc1 336352710 XXEFJTMOTFACAK-CQSZACIVSA-N 217.312 2.636 30 20 BFED C=CCCCCNC(=O)c1cccc(C#N)c1C 337830781 SFNJNPHWEVBLKA-UHFFFAOYSA-N 242.322 2.953 30 20 BFED C=CCCCN(C)C(=O)c1cccc(C#N)c1C 337857686 LNFCEFIWZAXHIW-UHFFFAOYSA-N 242.322 2.905 30 20 BFED C=C(C)[C@@H](CC(=O)N(CC)CC1CC1)OCC 339364270 HCZIVCBQNHREQE-CYBMUJFWSA-N 239.359 2.616 30 20 BFED C=CCC(C)(C)c1noc(CCCC(C)=O)n1 340798454 OXSOUFYNRWYIOA-UHFFFAOYSA-N 236.315 2.835 30 20 BFED C=CC[C@H](CC)NC(=O)C(C)(C)c1cccnc1 341640190 ALLOZLYJIGPMER-ZDUSSCGKSA-N 246.354 2.830 30 20 BFED CCc1ccnc(CNc2cc(C#N)ccn2)c1 343062200 FEOULSOKXNRXNB-UHFFFAOYSA-N 238.294 2.523 30 20 BFED C=C(C)CCN1CCC[C@@H](Cc2nccn2C)C1 351759733 SOWIGMCCEDHVBP-AWEZNQCLSA-N 247.386 2.641 30 20 BFED CC[C@H](CC(F)(F)F)NCc1ccc(C#N)o1 354637541 JJKZOHNAQQUDLL-MRVPVSSYSA-N 246.232 2.972 30 20 BFED C=CCCN(C)C(=O)NC[C@H]1CC[C@@H](C)C1 355257139 ILBIQUNPSACPHV-NEPJUHHUSA-N 224.348 2.640 30 20 BFED C[C@H](C(=O)N1C[C@@H](C)[C@H]1C)c1cccc(C#N)c1 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30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1C[C@H]2CC[C@H]1C2 435734472 XBTIBVLEWIDNMX-RMEBNNNOSA-N 235.371 2.746 30 20 BFED CCOc1cccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)c1 448746805 IITUDKMSMIBEPN-IINYFYTJSA-N 244.294 2.574 30 20 BFED CC[C@@H]1CCC[C@H]1C(=O)N(C)[C@H](C)CC#N 448917477 ZKAXDMWBEPHVAF-IJLUTSLNSA-N 222.332 2.573 30 20 BFED C=C(C)CCNC(=O)c1csc(C(C)=O)c1 452739236 LONATAVJFZKPQV-UHFFFAOYSA-N 237.324 2.647 30 20 BFED C=CC(C)(C)CNC(=O)c1cccc(C)c1 452778674 RKSQIDZLKPMQTC-UHFFFAOYSA-N 217.312 2.937 30 20 BFED C=C(CC)CNC(=O)N1C[C@H](C)C[C@@H](C)C1 459083462 SPOXEEYVUUMQHS-VXGBXAGGSA-N 224.348 2.640 30 20 BFED CC(C)(CC#N)CN[C@@H]1CCOC2(CCC2)C1 459737175 VWHFBHLYGUYEDY-GFCCVEGCSA-N 236.359 2.618 30 20 BFED C=CCNC(=O)N1CCC[C@H]1CCCCC 486966063 KJRYOLDOZXZUNL-GFCCVEGCSA-N 224.348 2.927 30 20 BFED C=CCCC(=O)N(CCOC)[C@H]1CCC[C@@H]1C 489795481 ZLCZNHSCBAAIEZ-STQMWFEESA-N 239.359 2.616 30 20 BFED C#C[C@H](N[C@@H]1CCO[C@@H](C(C)C)C1)C(C)(C)C 491645724 QHKUSFWBWODCMR-MCIONIFRSA-N 237.387 2.828 30 20 BFED C=CC[C@H](CC)N[C@H](CC(C)C)C(=O)OCC 500803242 FFNVHROJGARXMU-QWHCGFSZSA-N 241.375 2.909 30 20 BFED Cc1cccc2c1CC[C@H]2NC(=O)C(C)(C)C#N 520525039 GIQIFCRTTDHESZ-CYBMUJFWSA-N 242.322 2.648 30 20 BFED CCC(C#N)(CC)c1nc(C2(OC)CCC2)no1 528154397 GBZJHCNVBREHJJ-UHFFFAOYSA-N 249.314 2.677 30 20 BFED CC(C)[C@@H](O)CSc1cccc(F)c1C#N 570176946 TZUBUBLJRQWXMG-NSHDSACASA-N 239.315 2.806 30 20 BFED C=C1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1 574457328 JCHMAVJEVGUCTM-AULYBMBSSA-N 221.344 2.991 30 20 BFED CCc1nc(CN(C)[C@@H](C)CCC#N)cs1 576484155 AFAOSGDSQCBXRM-JTQLQIEISA-N 237.372 2.830 30 20 BFED N#Cc1ncccc1SCC[C@H]1CCCO1 578522879 ZFOYUYTZMSXRPO-SNVBAGLBSA-N 234.324 2.614 30 20 BFED C=CCCCCN[C@H](COCC)C(C)C 580156284 WHWVIQSWUPULIS-CYBMUJFWSA-N 213.365 2.993 30 20 BFED C[C@@H]1OCC[C@H]1SCC(C)(C)CC#N 581142319 LSYBFJXILQKZOE-VHSXEESVSA-N 213.346 2.837 30 20 BFED C=CCC(C)(C)CNC(=O)C1(OC)CCCC1 582081007 YSSBDHOOCQOIFW-UHFFFAOYSA-N 239.359 2.664 30 20 BFED Fc1ccc(CON=C2CCCOCC2)cc1 588398560 LNVSDDVCZYZSNX-UHFFFAOYSA-N 237.274 2.899 30 20 BFED CC[C@@H](CC1CCCC1)C(=O)NC1(C#N)CC1 591185516 NMLGKTQKUMZBFW-LBPRGKRZSA-N 234.343 2.765 30 20 BFED COc1cc(C)ccc1NC[C@H](C#N)CCC#N 591773252 FUAQZKNAZRNSJX-LBPRGKRZSA-N 243.310 2.859 30 20 BFED CC[C@H](C#N)C(=O)NCc1cc2ccccc2o1 593409007 OAUROBDFIUHVCU-SNVBAGLBSA-N 242.278 2.599 30 20 BFED C[C@H]1CCCCN1C(=O)N1CCC[C@@](C)(C#N)C1 594464460 ZPUFZQMLDQSTKY-JSGCOSHPSA-N 249.358 2.606 30 20 BFED CC(C)(C)c1ccn(CC2(CC#N)CC2)c(=O)c1 596275039 IZJSIJJELAUABQ-UHFFFAOYSA-N 244.338 2.840 30 20 BFED N#Cc1ccc(CN2O[C@H]3C=C[C@H]2CC3)c(F)c1 603029035 JSEVNNRSTKHCFL-STQMWFEESA-N 244.269 2.532 30 20 BFED C[C@@H](CC#N)NCCCOCCc1ccccc1 609030808 MMFWHFORFXRYLV-AWEZNQCLSA-N 246.354 2.528 30 20 BFED COCC#CCSCc1cccc(OC)c1 611193112 HJJUJDQWPMHISA-UHFFFAOYSA-N 236.336 2.578 30 20 BFED C=CCC1(NC(=O)c2ccco2)CCCC1 619106699 TYCQVHHWKXRDEJ-UHFFFAOYSA-N 219.284 2.898 30 20 BFED C=CCN(CCOC)c1cc2ccccc2cn1 631243167 UJMHPOWTTMSKCD-UHFFFAOYSA-N 242.322 2.874 30 20 BFED 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20 BFED N#C[C@@H](C(=O)[C@@H]1CC12CCCC2)c1ccccn1 747478167 DVSDLFJVHWTUPW-NEPJUHHUSA-N 240.306 2.838 30 20 BFED COCCON=C/C(C)=C\c1ccccc1 748788654 ITPBTVRPXHDFSZ-XOBFNKJCSA-N 219.284 2.739 30 20 BFED CCON=C(C)c1ccc(-n2ccnc2C)cc1 751522104 URWDILQWAPOVOW-UHFFFAOYSA-N 243.310 2.941 30 20 BFED C#CCCCCNC(=O)N(CCCC)C1CC1 758879444 BVVISEYVQDEHKM-UHFFFAOYSA-N 236.359 2.764 30 20 BFED CCCC1(C(=O)OCC2(CC#N)CC2)CC1 761234485 UHGBVYINHYBHTD-UHFFFAOYSA-N 221.300 2.804 30 20 BFED C[C@@H]1CCCC(=NNc2ccc(C(=O)O)cn2)C1 763369701 WHKGXMYDTCRSLT-SECBINFHSA-N 247.298 2.758 30 20 BFED C/C=C(/C=C\C(=O)N[C@H](C#N)CC(C)C)CC 765380747 LMTHMWBNOPOJDS-RQMGTARNSA-N 234.343 2.953 30 20 BFED O=C1/C(=C/c2cncs2)Oc2ccc(F)cc21 767727804 CGNSTETWEHMWGG-WCIBSUBMSA-N 247.250 2.898 30 20 BFED C=CCOCC(=O)O[C@@H](C)c1ccc(C)cc1 770654008 KCBXCRISDJCBSQ-LBPRGKRZSA-N 234.295 2.802 30 20 BFED CCn1cc(C=NN[C@H]2CCCCC2(C)C)cn1 773122652 CASCUUJBIYGFGM-ZDUSSCGKSA-N 248.374 2.795 30 20 BFED C=C(CC)CONC(=N)c1ccccc1OC 773180061 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242.326 2.610 30 20 BFED COCCC(C)=NNCc1ccc(Cl)cc1 814875848 YXPFWWXVTUCKRA-UHFFFAOYSA-N 240.734 2.842 30 20 BFED C=CCCCOC(=O)[C@@]1(C)CC1(F)F 817249582 PUFWPGGPBNROHQ-SECBINFHSA-N 204.216 2.541 30 20 BFED CCO[C@H]1CCCC1=NN[C@H](C)c1ccncc1 819816471 JHLFUTHWPXNPBC-RISCZKNCSA-N 247.342 2.677 30 20 BFED C#C[C@@H](C)NC(=O)N1CC2(CCCC2)[C@@H]1C(C)C 820399574 GUPGTICKIBGSST-OLZOCXBDSA-N 248.370 2.618 30 20 BFED C=CCOCCOC(=O)[C@@H]1CCCC[C@H]1C 820933390 TYMBNUCUCJYLSW-VXGBXAGGSA-N 226.316 2.559 30 20 BFED CC(C)C#CC(=O)N1CCC[C@H]1C1CCCC1 823073526 HLPQSEBFGHUYQO-AWEZNQCLSA-N 233.355 2.827 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccc2c(c1)C[C@@H](C)O2 828039559 FABPNINDGBQREF-GHMZBOCLSA-N 245.322 2.704 30 20 BFED C=CCON=Cc1ccc([C@@H]2C[C@@H]2C)o1 835014873 BRFYUTSULYSANA-GXSJLCMTSA-N 205.257 2.940 30 20 BFED C#C[C@H](CC)OC(=O)[C@@H]1C[C@H]1CC(C)C 835309018 JUGAEYMNQDBWFL-IJLUTSLNSA-N 208.301 2.624 30 20 BFED Cc1ccc(F)c(COC(=O)C(C)(C)C#N)c1 835922036 RWNRNXJTBNSLJP-UHFFFAOYSA-N 235.258 2.727 30 20 BFED 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2.998 30 20 BFED C#CCCCC(=O)OCc1scnc1Cl 857059089 DZFQZFUZZVAMCC-UHFFFAOYSA-N 243.715 2.643 30 20 BFED C=CCC(CC=C)C(=O)OCC(=O)c1ccoc1 859592398 VOCZHYPGBBMULH-UHFFFAOYSA-N 248.278 2.774 30 20 BFED CCCCCCCC(=O)OCCN1CCC1 861384443 RQRINRYMIQCIHJ-UHFFFAOYSA-N 227.348 2.596 30 20 BFED CCCCCCCNC(=O)C(C)(C)COC 862357626 AJCRABGLRCNTPX-UHFFFAOYSA-N 229.364 2.746 30 20 BFED CCC(CC)NN=C(C)c1nc(C)cs1 863094518 MBVNPXXRWKPJJQ-UHFFFAOYSA-N 225.361 2.954 30 20 BFED C[C@@H]1CCCCN1N=Cc1cnc(C2CC2)o1 863126498 KADAXLJZFBTQHN-SNVBAGLBSA-N 233.315 2.760 30 20 BFED CO[C@](C)(C=NNc1cccc(C)n1)C1CC1 863159877 HTFGPSNYNLIOKO-CYBMUJFWSA-N 233.315 2.603 30 20 BFED CCCCC=NNC(=S)NC1CCCCC1 864094861 JHVILUWHPOKOQT-UHFFFAOYSA-N 241.404 2.959 30 20 BFED Cc1cc(C)c(O)c(NC(=O)C#CC(C)(C)C)c1 870813776 SSFYPFLVPPJLTO-UHFFFAOYSA-N 245.322 2.997 30 20 BFED CC(C)ON=Cc1cc2c([nH]1)CCCC2 872379980 ARBHKGUJMZXTRJ-UHFFFAOYSA-N 206.289 2.652 30 20 BFED N#C[C@@]1(F)CCN(C/C=C\c2cccc(F)c2)C1 894532426 JYQJFCAGHJLMFS-XBPVQUQDSA-N 248.276 2.776 30 20 BFED C#Cc1ccc(N[C@H](C)C2CCOCC2)cc1 898498852 MZEJNGYAOCDGGN-GFCCVEGCSA-N 229.323 2.895 30 20 BFED C#Cc1ccc(NC[C@H]2CCC=CO2)cc1 898499446 QOBRYAMWCLDSKA-CQSZACIVSA-N 213.280 2.773 30 20 BFED C=C1CN(C(=O)CCCOc2ccccc2C)C1 898692666 XCQPMANKJWXEJR-UHFFFAOYSA-N 245.322 2.552 30 20 BFED C#Cc1ccc(NC[C@H](O)CCC(C)C)cc1 899917945 GNUNPAFQAXEPNI-OAHLLOKOSA-N 231.339 2.877 30 20 BFED C=CCC[C@@H](N[C@H](C)CCCC)C(=O)O 901694029 ZMXMOYHEFNYPLW-GHMZBOCLSA-N 213.321 2.574 30 20 BFED c1cnc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)nc1 912974343 QZZLTGQJBXBZRF-KXNHARMFSA-N 242.326 2.701 30 20 BFED CCSc1ccccc1C(=O)O[C@@H](C)C#N 918022603 KMXBYTQVPLAKJV-VIFPVBQESA-N 235.308 2.867 30 20 BFED C[C@@H](C#N)OC(=O)c1cc(C(C)(C)C)ccc1N 920629834 FPSYSOHAKKECMS-VIFPVBQESA-N 246.310 2.635 30 20 BFED C#CCSCC(=O)Nc1ccc(C(C)C)nc1 928622759 WDSBRRVLTHSGKQ-UHFFFAOYSA-N 248.351 2.510 30 20 BFED Cc1cscc1NC(=O)N1CCC[C@@H](C#N)C1 930504150 SBISGIFLYPBINL-JTQLQIEISA-N 249.339 2.824 30 20 BFED C=C[C@H](CC)CC(=O)N[C@H](CCCC)COC 933173218 WDCRFBAGLNJLNU-CHWSQXEVSA-N 241.375 2.910 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1scnc1C 934747697 RDSDJJYVBWKPSL-VIFPVBQESA-N 224.329 2.992 30 20 BFED C=CCOC(=O)c1oc(C2CC2)nc1C(F)F 1122614878 FUJJUJXMFMPGLC-UHFFFAOYSA-N 243.209 2.832 30 20 BFED C=C(CC)C(=O)NCCCOc1cccc(C)c1 1123484231 ORBHOVOQUHPAKH-UHFFFAOYSA-N 247.338 2.846 30 20 BFED C[C@H](Sc1ccc(C#N)cn1)c1ncccn1 1165502961 BPPVSQDKDHHBDN-VIFPVBQESA-N 242.307 2.597 30 20 BFED N#Cc1cccc(-c2nnc(-c3ccoc3)o2)c1 1257843790 DJEOHOIDWGXWEO-UHFFFAOYSA-N 237.218 2.868 30 20 BFED C=C(CC(C)C)C(=O)N(C(C)C)C1CC1 1263726525 KKRFBCMEMMKOQB-UHFFFAOYSA-N 209.333 2.988 30 20 BFED C=C[C@@H](C)NCc1ccc(-c2cnn(C)c2)cc1 1321032506 HWRJEYSPKVHWKQ-GFCCVEGCSA-N 241.338 2.751 30 20 BFED C=C(C)CCNC(=O)C=C1CCCCC1 1325397040 NKOXBBBGRROBMH-UHFFFAOYSA-N 207.317 2.959 30 20 BFED C=C(C)CCC(=O)N1C[C@]2(CCCO2)[C@H]1C1CC1 1337288837 GKWWBVBFSQBMFS-HUUCEWRRSA-N 249.354 2.513 30 20 BFED C=CCCCCCCNC(=O)NC1(C)CC1 1342618583 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30 20 BFED C=C[C@@H](CC)CC(=O)NC[C@H](CCC)OCC 827003783 TYVGZICFRJSYLK-STQMWFEESA-N 241.375 2.910 30 20 BFED CC[C@@H](C)CN(C)C(=O)c1cc(C#N)ccc1F 827171798 OYQLWDSGPRMCCG-SNVBAGLBSA-N 248.301 2.815 30 20 BFED CC(C)[C@@H]1CCN1c1snc(Cl)c1C#N 829046230 AHNPVZHOLOCYLY-QMMMGPOBSA-N 241.747 2.903 30 20 BFED C=C[C@H](C)NC(=O)CCC[C@H](O)c1ccccc1 829983018 WZIDYXBSEBAARM-JSGCOSHPSA-N 247.338 2.581 30 20 BFED C=C(C)COCCNC(=O)[C@@](C)(F)CCCC 830291294 NYKIQKNXENFTJN-ZDUSSCGKSA-N 245.338 2.614 30 20 BFED CC[C@@H](C)n1ncc(NC(=O)C#CC(C)C)c1C 834359704 FAOPUFOIGNCLFQ-LLVKDONJSA-N 247.342 2.760 30 20 BFED CCCCNN=Cc1nc2ccccc2nc1C 834940047 BXPSPIKODDBCTD-UHFFFAOYSA-N 242.326 2.662 30 20 BFED C[C@@H]1CC(=NN[C@@H]2CCCC2(C)C)c2nccn21 834978215 QTRUIFJGPUUUAL-ZYHUDNBSSA-N 246.358 2.720 30 20 BFED C=CCON=C1CCC(c2nc(CC)no2)CC1 835013088 HDYIVSRNNBLCJC-UHFFFAOYSA-N 249.314 2.848 30 20 BFED C=C(C)[C@@H](C)OC(=O)CC1CC(F)(F)C1 835299031 WHFUIXGDJJTSLJ-MRVPVSSYSA-N 218.243 2.930 30 20 BFED 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CC/C=C(\C)C(=O)Nc1sccc1C#N 918552230 YOIPTUCVHZCUOG-XBXARRHUSA-N 220.297 2.915 30 20 BFED C=C(C)COC(=O)C1(C#N)CCCCC1 920673320 JFTIHNBQWHXKQF-UHFFFAOYSA-N 207.273 2.580 30 20 BFED CC(C)C[C@@H](C)OC(=O)N1CCC[C@@H](C#N)C1 921359469 IYFTXGMRLUXKBN-NEPJUHHUSA-N 238.331 2.793 30 20 BFED C#CCOC(=O)C1(C2CCCCC2)CC1 923342836 SRNRPEZMRACUJV-UHFFFAOYSA-N 206.285 2.523 30 20 BFED C=C[C@H](CC)CC(=O)N[C@@H]1CC[C@H](SC)C1 933659799 ZVPLDXRAGSRXJA-UTUOFQBUSA-N 241.400 2.989 30 20 BFED C#Cc1ccc(NC(=O)NC(C)(C)C2CC2)cc1 934931975 BHZWJWSMXRFFNT-UHFFFAOYSA-N 242.322 2.978 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@]1(CCC)CCOC1 935941236 RROAKFMFPQSFNN-GXTWGEPZSA-N 239.359 2.664 30 20 BFED N#Cc1ccc(C(=O)N2CC3CCC2CC3)s1 1116455320 AZBVWMBXFPNXQD-UHFFFAOYSA-N 246.335 2.634 30 20 BFED CCn1ccnc1[C@@H](C#N)C(=O)C(C)(CC)CC 1123337784 ULJZSIYFBBZXLX-NSHDSACASA-N 247.342 2.906 30 20 BFED C=C(CC)C(=O)NC1C[C@H](C)C[C@@H](C)C1 1123596630 PRMAPVJKPMHEDF-NXEZZACHSA-N 209.333 2.894 30 20 BFED CCC(C)(CC)C(=O)N(C)[C@H](C)CC#N 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C#CCCCOC(=O)[C@H]1CCCC1(C)C 772603308 RFKPCXOYNUJUDI-LLVKDONJSA-N 208.301 2.769 30 20 BFED CCOCCON=C(C)Cc1ccsc1 774440283 XBMKMVXSXFELLT-UHFFFAOYSA-N 227.329 2.720 30 20 BFED CC(=NN[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)cn1 774595624 FDSKZIYMRLTRIF-MJVIPROJSA-N 247.317 2.723 30 20 BFED C=C(Cl)COC(=O)[C@H]1C[C@@]1(C)C(C)C 775081728 XTBGCVSUZHKYSG-KOLCDFICSA-N 216.708 2.964 30 20 BFED CS/C=C\C(=O)OCc1ccc(CC#N)cc1 776107482 MKEOAPLVPOUEKS-CLFYSBASSA-N 247.319 2.673 30 20 BFED C#CCCCNc1cncc(-c2ccccc2)n1 776807655 WPPIFLWXNGXZJL-UHFFFAOYSA-N 237.306 2.969 30 20 BFED C=C(C)CN(C)C(=O)/C=C1\CC[C@H](C)C1 778126172 KWKMYODUEVZBMF-SERMCNLOSA-N 207.317 2.767 30 20 BFED C#CCCCCCC(=O)OCC[C@@H]1CCCO1 780413882 UIKPVMPUGQLUTM-ZDUSSCGKSA-N 238.327 2.682 30 20 BFED Cc1nc2cc(NC(=O)[C@@H](C)C#N)ccc2s1 781408228 JZSJCFYZZYKKCE-ZETCQYMHSA-N 245.307 2.703 30 20 BFED C#CCN1[C@@H](C)Cc2cc(OC)ccc2[C@H]1C 782097962 LWKFNPNQLFCWRE-NWDGAFQWSA-N 229.323 2.636 30 20 BFED CC(=NN[C@H]1CCCC1(C)C)c1ccncc1 782287461 LMHABOFRDYLDTP-ZDUSSCGKSA-N 231.343 2.974 30 20 BFED C=CCCCOC(=O)[C@@H]1CCCCS1 783229665 DEPLFSJFQCBMLI-JTQLQIEISA-N 214.330 2.782 30 20 BFED CC(=NN[C@H](C)c1ccccc1)[C@H]1CCCO1 783832153 OCPKGRBJBSXDOV-BXUZGUMPSA-N 232.327 2.892 30 20 BFED CC(C)CCN(CCC#N)C(=O)[C@H](F)C(C)C 784392835 HCPKEWCMXMJTMW-GFCCVEGCSA-N 242.338 2.769 30 20 BFED C=C(Cl)COC(=O)/C=C/c1cncc(F)c1 785847469 KGYMJPNSXWEOHY-NSCUHMNNSA-N 241.649 2.530 30 20 BFED COc1ccnc(NN=C2CCC23CCCC3)n1 788712412 SXVKWTAVXRUZJA-UHFFFAOYSA-N 246.314 2.607 30 20 BFED Cc1cccc(/C=C\C(=O)c2ccnc(O)c2)c1 791433771 SMNXTGZLVXFURH-WAYWQWQTSA-N 239.274 2.992 30 20 BFED CCC(=NN[C@@H](C)C(C)(C)C)[C@H]1CCOC1 793115639 SCTAOPWTLJQPKX-QWRGUYRKSA-N 226.364 2.813 30 20 BFED Fc1cncnc1NN=C1CCCCCC1 793214947 SGMVXMIKDLMJDB-UHFFFAOYSA-N 222.267 2.738 30 20 BFED CC[C@@H](C)NN=C1CCC[C@H]1CCF 794940084 QBKZSYNRPMNWMQ-ZJUUUORDSA-N 200.301 2.890 30 20 BFED Cc1ccoc1C=NNc1ncccc1F 794984997 RCJPKTJVEOMAGK-UHFFFAOYSA-N 219.219 2.568 30 20 BFED C=CCNN=Cc1cccc(OCCC)c1 795003272 HTRDIFPBYUQLRH-UHFFFAOYSA-N 218.300 2.585 30 20 BFED C=CCNN=Cc1ccccc1C1CC1 795003753 QILGGKSGRSTJAM-UHFFFAOYSA-N 200.285 2.674 30 20 BFED C=CCCCCCCNC(=O)[C@H]1CCCOC1 805218500 BGZRXHDQJPQBBJ-ZDUSSCGKSA-N 239.359 2.666 30 20 BFED C[C@H]1CC[C@H](COC(=O)CCCCCC#N)O1 805697706 FAEDOYCUJVUVQP-NWDGAFQWSA-N 239.315 2.571 30 20 BFED C/C(=C/C(=O)NCC(C)(C)CCC#N)C1CC1 807723091 VKCVNJHYCADLQC-LUAWRHEFSA-N 234.343 2.789 30 20 BFED CCCC(Cc1ccccc1)=NNc1nc[nH]n1 807996048 JMQMNKLQQHYCTP-UHFFFAOYSA-N 243.314 2.615 30 20 BFED C#CCON=C1C[C@H](Oc2ccccc2)C1(C)C 812232896 IPENAYLXYSJKGE-AWEZNQCLSA-N 243.306 2.870 30 20 BFED CC(=NOCC1CC1)c1cccc(F)c1 814244402 RIQGOBIJUYZFDR-UHFFFAOYSA-N 207.248 2.976 30 20 BFED CCOc1ccc(O)c(C=NOCC2CC2)c1 814244503 XEXLKLSPZUKTOC-UHFFFAOYSA-N 235.283 2.551 30 20 BFED C=CCC(F)(F)C(=O)OCCC(C)C 815313848 WNUPYQGXQIHBRG-UHFFFAOYSA-N 206.232 2.787 30 20 BFED CCCc1[nH]ccc1C(=O)OCC1(CC#N)CC1 817720449 RQQQBYRQNWQIIO-UHFFFAOYSA-N 246.310 2.818 30 20 BFED C[C@]1(C(=O)OCC2(C#N)CCCC2)CC1(F)F 817728270 SRGCGLMWTPEYDW-SNVBAGLBSA-N 243.253 2.659 30 20 BFED COCCC(=NN[C@@H](C)c1ccncc1)C(C)C 819816082 GIRVHUDIUAGNTK-LBPRGKRZSA-N 249.358 2.781 30 20 BFED C#Cc1cnc(N[C@H]2CC23CCCCC3)nc1 827852001 HQSUOSXFEUBYEG-LBPRGKRZSA-N 227.311 2.593 30 20 BFED CC[C@@H]1CCC[C@@H](NC(=O)C#CC(C)C)C1 828505796 DFKLLJIBTQRNKQ-CHWSQXEVSA-N 221.344 2.731 30 20 BFED CC[C@H](C)[C@@H](C=NNc1ncccc1C)OC 834972423 HBYDLOQNKILHKU-CMPLNLGQSA-N 235.331 2.849 30 20 BFED CC[C@@H](C)CON=C(C)[C@@H]1C[C@H]2CC[C@H]1O2 834981248 KWHBCMBZBAAEKE-FOUMNBMASA-N 225.332 2.993 30 20 BFED Cc1cnc(C=NOCCC2CC2)s1 834982471 YHAGBVJCRKEQSY-UHFFFAOYSA-N 210.302 2.602 30 20 BFED C#CCC(C)(C)COC(=O)Cc1ccc(C)nc1 835278756 HIGRQJPWFBPTFB-UHFFFAOYSA-N 245.322 2.525 30 20 BFED CC[C@@H](CC#N)OC(=O)c1cc(C)n(C(C)C)n1 835341086 SHONBYHJEFNRIP-NSHDSACASA-N 249.314 2.622 30 20 BFED C=CC(C)(C)COC(=O)c1ncoc1CC 835724205 GQTHTBGHKDIQJP-UHFFFAOYSA-N 223.272 2.606 30 20 BFED C=C(C)CCNC(=O)NCCCCCC 836201136 GPLBXGWHSIMJHP-UHFFFAOYSA-N 212.337 2.832 30 20 BFED COCc1cccc(NC(=O)C#CC(C)(C)C)c1 837331960 CNSFHUKGHUSWLR-UHFFFAOYSA-N 245.322 2.821 30 20 BFED CC(C)(C)C#CC(=O)NC[C@H]1CCC(F)(F)C1 837596991 ZJEJOTSEQZAMFE-JTQLQIEISA-N 243.297 2.588 30 20 BFED CC(C)(C)C#CC(=O)OCCCCCF 838371615 WAARFVKNQBUYMV-UHFFFAOYSA-N 214.280 2.719 30 20 BFED C=CCONC(=O)NC1CCC(CCC)CC1 838703543 LGUPSHOWDKDDRB-UHFFFAOYSA-N 240.347 2.762 30 20 BFED C[C@@H]1O[C@H](C)C[C@@H]1C/N=C\c1ccccc1O 840712907 MTJGPXOJOZQIQL-OSRJVFGISA-N 233.311 2.625 30 20 BFED CC1(C)CC(=NNc2ccc3[nH]ncc3c2)CO1 841633797 MWTVFNWROZWSBF-UHFFFAOYSA-N 244.298 2.530 30 20 BFED CCCON=Cc1ccc(C)c(OC)c1 842555212 UUZATZDIMOYJKQ-UHFFFAOYSA-N 207.273 2.764 30 20 BFED CCCON=C(CC)c1ccc(C(=O)O)cc1 842558233 VMXWOTSFIMUWEH-UHFFFAOYSA-N 235.283 2.926 30 20 BFED C#C[C@@H](NC(=O)[C@H](C)C1CC1)c1ccccc1 843642855 PGIZKHRPKVWWAF-BXUZGUMPSA-N 227.307 2.523 30 20 BFED CCCCNN=Cc1cc2cnccc2o1 844575360 GXRZGXXKZHVUTR-UHFFFAOYSA-N 217.272 2.551 30 20 BFED C=C[C@@H](C)ON=Cc1c(Cl)nc(Cl)n1C 844621280 XRGPMTNTHRTVIZ-ZCFIWIBFSA-N 248.113 2.652 30 20 BFED C=C[C@H](C)ONC(=O)N1CC[C@H](C(C)(C)C)C1 845618590 JVVPSNNACGXZRR-QWRGUYRKSA-N 240.347 2.570 30 20 BFED C=C(C)CONC(=O)C(C)(C)C1CCCC1 846536357 IDGQLSCDDYXNTE-UHFFFAOYSA-N 225.332 2.827 30 20 BFED CCc1noc([C@H](C)Cc2ccc(C#N)cc2)n1 848604232 WQCTXASXQJFGIG-SNVBAGLBSA-N 241.294 2.850 30 20 BFED C=CC(C)(C)CCOC(=O)[C@@H]1O[C@@H](C)C[C@H]1C 851300189 LZJMXEOGWJEKEV-GRYCIOLGSA-N 240.343 2.945 30 20 BFED C#CCOCCN1CC[C@@H](C)C[C@@H]1c1ccco1 851794884 XNHBBUWPWAUKLV-ZIAGYGMSSA-N 247.338 2.702 30 20 BFED CCOC1CC(=NNc2ccnc(Cl)c2)C1 853395125 LQQSKKZZUCDUMA-UHFFFAOYSA-N 239.706 2.702 30 20 BFED C#C[C@](C)(CC)NC(=O)c1cc(Cl)cs1 854702679 WKTAKXPMDXOKRT-LLVKDONJSA-N 241.743 2.933 30 20 BFED C[C@@H](C#N)N(C(=O)/C=C/c1cccs1)C1CC1 855584804 WYIWNZWPQOMCJW-FGEFZZPRSA-N 246.335 2.664 30 20 BFED C=CCCCC(=O)NCC(=O)c1ccccc1C 869552975 HWHDDQYFQLNHFL-UHFFFAOYSA-N 245.322 2.650 30 20 BFED Fc1cc(NN=C2CCC[C@H]2F)ccn1 872363592 JGAPOSKMCVDPES-MRVPVSSYSA-N 211.215 2.511 30 20 BFED CCCCOc1ccc(C=NN2CCC2)cc1 872394394 FFDRLHGTOLAJNT-UHFFFAOYSA-N 232.327 2.905 30 20 BFED C=CCCC[C@H](C)NC(=O)N[C@@H]1CC12CCC2 872960718 KYJYLHVTGTZZRC-NWDGAFQWSA-N 236.359 2.973 30 20 BFED C=CC(C)(C)CC(=O)Nc1cnn(C(F)F)c1 878497825 AJGLVXGBRAAWKN-UHFFFAOYSA-N 243.257 2.819 30 20 BFED C=C/C=C\CCNC(=O)N1CCCC[C@@H]1C=C 883916510 VYXOJBJUDBOZSH-SZZPACECSA-N 234.343 2.869 30 20 BFED C[C@H](C#N)CNc1cc(C2CC2)nc(C2CC2)n1 892726670 APCOIAHOIYYKHR-SECBINFHSA-N 242.326 2.803 30 20 BFED C=CC1(OC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 893359356 RKBPAJNNPHVXNK-NXEZZACHSA-N 218.252 2.645 30 20 BFED C=CC1(OC(=O)c2nc(Cl)cs2)CC1 893363514 BGRIHHUNMGCYBT-UHFFFAOYSA-N 229.688 2.672 30 20 BFED C=CC1(OC(=O)[C@H](C)c2c(C)noc2C)CC1 893365563 MWNNBDWNFIFMSX-MRVPVSSYSA-N 235.283 2.657 30 20 BFED CC(F)(F)CCNc1ccc(C#N)cc1CO 894008007 UQMJCVPLPXFKQE-UHFFFAOYSA-N 240.253 2.508 30 20 BFED C[C@@H]1CN(c2ccc(C#N)cc2CO)[C@H](C)[C@@H]1C 894235756 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CC[C@H](C#N)N(CC)C(=O)c1cc(F)ccc1C 1121252672 GAQBRIYARAWMCU-GFCCVEGCSA-N 248.301 2.898 30 20 BFED C#CCC(C)(C)C(=O)N(Cc1ccc(C)o1)OC 1124039228 BNOJSOQZNTVMBG-UHFFFAOYSA-N 249.310 2.528 30 20 BFED COC(=O)CC1CCC(=NOC(C)(C)C)CC1 1261833491 ZYFXRXMNEZFYAA-UHFFFAOYSA-N 241.331 2.911 30 20 BFED C=C(C)CCC(=O)N1CCC(SC)CC1 1262635693 XFPFIYDCLWIQTK-UHFFFAOYSA-N 227.373 2.697 30 20 BFED C=CCC1(CNC(=O)[C@H](F)CC)CCCC1 1262788637 JGJOYBSEZCHTAL-LLVKDONJSA-N 227.323 2.987 30 20 BFED CC(=NNCCC(C)(C)C)c1ccnc(C)n1 1320745724 LQUTWSDCORNXLY-UHFFFAOYSA-N 234.347 2.535 30 20 BFED C#C[C@H](NCc1ccc(F)c(OC)c1)C(C)C 1323764451 CZKZWLKMSPUBRM-ZDUSSCGKSA-N 235.302 2.582 30 20 BFED C=CCOCCN1CC[C@@H]2CCCC[C@@H]2C1 1327799851 ASUIXGUIQIVBMF-UONOGXRCSA-N 223.360 2.701 30 20 BFED C=C(C)CCC(=O)N(CC(F)(F)F)C1CC1 1335920664 PVDWVQJMFLOSKJ-UHFFFAOYSA-N 235.249 2.896 30 20 BFED C=CCC1(C(=O)NC(C)(C)CF)CCC1 1336701690 VETZCIYBOKQVTE-UHFFFAOYSA-N 213.296 2.597 30 20 BFED CC[C@@H](F)C(=O)N[C@](C)(C#N)C1CCCCC1 1338852942 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20 BFED C=C[C@@H]1CCCCN1C(=S)N[C@H](C)CC 782409604 VXFFSUNOOQPWHQ-GHMZBOCLSA-N 226.389 2.700 30 20 BFED C=C[C@@](C)(CC)C(=O)OCCOC(C)C 785759571 LWBPDYVMTTYKKN-LBPRGKRZSA-N 214.305 2.557 30 20 BFED CC(=NN[C@@H]1CCOC1)c1ccc(C(C)C)cc1 788445978 LCBLAMACRNWJBL-OAHLLOKOSA-N 246.354 2.913 30 20 BFED OC[C@@H](NN=C1CCCCC1)c1ccccc1 788469843 SHBPCBHMJXUNRA-CQSZACIVSA-N 232.327 2.630 30 20 BFED N#Cc1ccc(NN=CCC2CCOCC2)cc1 788712390 SCCSFUMALSTSGG-UHFFFAOYSA-N 243.310 2.773 30 20 BFED CCN(C)c1ccc(C=NOC2CCCC2)cn1 790170476 NAHDZLNVAWVMIZ-UHFFFAOYSA-N 247.342 2.831 30 20 BFED C[C@@H]1CC(=NNc2nccn2C)C[C@@H](C)C1 790299295 BATZMGYEZKGKKR-UWVGGRQHSA-N 220.320 2.644 30 20 BFED CC[C@@H](C)CON=C1CCC12CCOCC2 793159183 LKAWVARDQGMKJF-LLVKDONJSA-N 225.332 2.996 30 20 BFED C=CCCCCC[C@H](C)NCC(C)(C)C(N)=O 793548108 SEWGGQSDDMELRK-LBPRGKRZSA-N 240.391 2.613 30 20 BFED C=C[C@](C)(CC)C(=O)OCc1cncc(F)c1 795607796 WDXVFXQZNDAJJF-CYBMUJFWSA-N 237.274 2.866 30 20 BFED CC[C@@](C)(C#N)C(=O)O[C@H](C)CC(C)C 796873975 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C#C[C@H](CCC)NC(=O)N1CCCC[C@@H]1CC 820630046 KHCBNNDDSHNMRH-OLZOCXBDSA-N 236.359 2.762 30 20 BFED C#CCOc1cccc(NC(=O)/C=C(\C)CC)c1 823196133 WWKBOZCRNHXULB-ZRDIBKRKSA-N 243.306 2.993 30 20 BFED C=C(C)CCN[C@@H]1CC[C@H]2SCCS[C@@H]12 824743576 GPPWTSQHCVKPRT-UTUOFQBUSA-N 243.441 2.922 30 20 BFED C#Cc1cnc(N[C@@H]2CCC[C@@H]2SCC)nc1 827722115 ZTZGPSQRTVNODT-NEPJUHHUSA-N 247.367 2.544 30 20 BFED C#Cc1cnc(NCC(C)(C)C2CCC2)nc1 828816215 NAZKLYVRSKACSC-UHFFFAOYSA-N 229.327 2.696 30 20 BFED C#CC1CCN(Cc2cc(F)ccc2F)CC1 830316518 VXOXCBGABHTEKR-UHFFFAOYSA-N 235.277 2.810 30 20 BFED C=CCSCc1cccc(C(=O)O)c1C#N 833377740 AXVHWVVRJCZGOI-UHFFFAOYSA-N 233.292 2.676 30 20 BFED C#CCOC(=O)[C@H]1CCC[C@H]1c1ccccc1 835078479 KYWBNUZRYPMAOU-KBPBESRZSA-N 228.291 2.747 30 20 BFED C#CCOC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 835078482 KYWBNUZRYPMAOU-ZIAGYGMSSA-N 228.291 2.747 30 20 BFED CN(Cc1ccccc1Cl)C(=O)C#CC1CC1 837314032 OVRBHSSEJABVJT-UHFFFAOYSA-N 247.725 2.712 30 20 BFED C[C@H]1CC/C(=C\C(=O)NCC(C)(C)CC#N)C1 837889206 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BOCWTIVWQDATQA-ZDUSSCGKSA-N 228.339 2.819 30 20 BFED C=C(Cl)CN1CCC(SC)CC1 879096307 QTGQXURGKCNUCH-UHFFFAOYSA-N 205.754 2.566 30 20 BFED Cc1ccc(C(=O)NC[C@H]2C=CCC2)cc1C#N 881497500 CDQRKXMBCLMXQP-LBPRGKRZSA-N 240.306 2.563 30 20 BFED C#CCCCC(=O)Nc1ccc2c(c1)C[C@H](C)O2 885599634 WIJULOJMEUHRGX-NSHDSACASA-N 243.306 2.752 30 20 BFED Cc1cc(CN(CCC#N)CC(C)C)cnc1F 891465739 WAELTYJSMUSUOD-UHFFFAOYSA-N 249.333 2.901 30 20 BFED C=CCC(C)(C)CNCc1cn(CC)nc1C 894606209 HQFXETOEFSRKDE-UHFFFAOYSA-N 235.375 2.903 30 20 BFED CC(=NN[C@@H]1CCCC[C@H]1O)c1ccc(C)cc1 901342675 MCTMDOOBQWSKSR-HUUCEWRRSA-N 246.354 2.612 30 20 BFED CCCCN(O)C(=O)c1cc(C)cs1 904214529 BZKVUAMZEUVAQB-UHFFFAOYSA-N 213.302 2.688 30 20 BFED C=CC[S@](=O)Cc1cc(Cl)ccc1OC 905168430 NJQSFTWTISLIGZ-HNNXBMFYSA-N 244.743 2.783 30 20 BFED C=C[C@H](C)NC(=O)c1ccc(C(C)=O)c(C)c1 906966702 ZCNHSHYMPMMAFM-JTQLQIEISA-N 231.295 2.502 30 20 BFED Cc1ccc(C(=O)NCCC#C[Si](C)(C)C)o1 912335697 HAYBTUFHFTZJSO-UHFFFAOYSA-N 249.386 2.589 30 20 BFED 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DYYRBWRSRVBOEK-RYUDHWBXSA-N 225.332 2.574 30 20 BFED N#CCc1ccc(NCc2ccncc2F)cc1 1621236776 RUHGGILFTJVYDK-UHFFFAOYSA-N 241.269 2.899 30 20 BFED C=CCCCCN(C)Cc1occc1C(=O)O 1776174938 HDUICNXRHQZOLI-UHFFFAOYSA-N 237.299 2.766 30 20 BFED CN(Cc1ccco1)c1ccc(C#N)cc1 35126323 PNPSIHANWFPYKY-UHFFFAOYSA-N 212.252 2.788 30 20 BFED Cc1nc(CNc2ccc(C#N)cc2)oc1C 37909288 YKBZKOOIBUEKAK-UHFFFAOYSA-N 227.267 2.775 30 20 BFED Cc1ccc(C#N)c(N2CCc3ccccc32)n1 43399056 VSYVDYMRJNVMSQ-UHFFFAOYSA-N 235.290 2.956 30 20 BFED C#CCNc1ccc(Br)cc1F 50521771 ZSDSYHGWWJDWAJ-UHFFFAOYSA-N 228.064 2.633 30 20 BFED CCN(CCC#N)[C@H](C)c1ccc(C#N)cc1 54340424 PAHPEWCVMKHXHS-GFCCVEGCSA-N 227.311 2.855 30 20 BFED N#CC1CCN(Cc2cccc(F)c2F)CC1 57880330 LNUOAMYSGSUQGI-UHFFFAOYSA-N 236.265 2.700 30 20 BFED CCCOc1cccc(C(=O)N[C@H](C#N)CC)c1 61559266 MXWRBMMCHCRCKG-LBPRGKRZSA-N 246.310 2.507 30 20 BFED CCC[C@H](C#N)NC(=O)c1cc(F)ccc1C 62665646 SBFQOYOLMMLBBH-LLVKDONJSA-N 234.274 2.556 30 20 BFED C[C@@H]1CCc2sc(C(=O)N[C@H](C)C#N)cc2C1 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BFED CCC(CC)CC(=O)N[C@H](C#N)C(C)(C)C 133615713 LLBJRVQIBIEHEX-LLVKDONJSA-N 224.348 2.867 30 20 BFED Cc1ccnc(N2CCC[C@H](C)[C@@H]2C)c1C#N 135074380 UGUOVEGVJAHJRI-JQWIXIFHSA-N 229.327 2.887 30 20 BFED C=C[C@](C)(CC)C(=O)NCC[C@@H]1CCCCO1 135174060 VHOZBZLGCIPSIK-GXTWGEPZSA-N 239.359 2.664 30 20 BFED C[C@H](O)[C@H](C)SCC#Cc1ccc(F)cc1 135308316 NRCUGJRRYUGJBY-QWRGUYRKSA-N 238.327 2.680 30 20 BFED C=C[C@@H](C)NC1CC(C#N)(c2ccccc2)C1 139193759 KXHVHWIQUUOXIP-LRVUVFPRSA-N 226.323 2.774 30 20 BFED C#CCNC(=O)N(C1CCC(CC)CC1)C1CC1 151087451 LFBVUXNIVNDVNG-UHFFFAOYSA-N 248.370 2.762 30 20 BFED N/C(=N/OCC1CCCC1)c1cccs1 151694961 NQPZFQYSGGKMDQ-UHFFFAOYSA-N 224.329 2.575 30 20 BFED CC(C)C(=O)N[C@H](CCC#N)c1ccccc1 153364627 RUPTUKLKDCBMHP-CYBMUJFWSA-N 230.311 2.804 30 20 BFED C=C[C@H](C)NC(=O)Cc1cccc(Cl)c1 154165255 BXICXUOIKOWVTL-VIFPVBQESA-N 223.703 2.573 30 20 BFED CCC[C@@H]1CCCN(C(=O)C(C)(C)C#N)C1 155294651 SLRMXASFYCHHBS-LLVKDONJSA-N 222.332 2.575 30 20 BFED C#Cc1cccc(NC(=O)[C@H]2CCCCS2)c1 157848239 NPJXQQQTJNUGLN-CYBMUJFWSA-N 245.347 2.892 30 20 BFED C=CCN(C)C(=O)C(C)(C)c1ccc(OC)cc1 161795732 MDDYZPNJHQEQPB-UHFFFAOYSA-N 247.338 2.617 30 20 BFED C=CC[C@H](C)NCc1cn(C)nc1C(C)(C)C 162923002 IJUILCBGJZPZIL-NSHDSACASA-N 235.375 2.772 30 20 BFED C#C[C@@H](C)NCc1ccc(C(F)F)cc1 166411602 JVVRFQCUBPBSHV-SECBINFHSA-N 209.239 2.736 30 20 BFED CC[C@H](C)CC(=O)NC1(C#N)CCCCC1 167400931 MJONMRMPSYXEEX-NSHDSACASA-N 222.332 2.765 30 20 BFED CC#CCNc1ccc(Cl)cc1[N+](=O)[O-] 167996577 FNYIOJMMZPKVMU-UHFFFAOYSA-N 224.647 2.683 30 20 BFED C[C@H]1C[C@H](Nc2ccc(C#N)cc2F)CCO1 168282297 VRPITVAFAJGYLX-GXSJLCMTSA-N 234.274 2.677 30 20 BFED C#CCCCNC(=O)c1cccc(OCCC)c1 172950310 ZOBFMMZSMYKBHQ-UHFFFAOYSA-N 245.322 2.619 30 20 BFED C=CCN(CC=C)CC1(O)CCC(C)CC1 174647757 FJABMFDXUMAVRW-UHFFFAOYSA-N 223.360 2.602 30 20 BFED C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(C#N)c1 181756253 ITRMUGRZFPDJGV-QZKOUSHUSA-N 242.322 2.529 30 20 BFED CC#CCCCC(=O)N(C(C)C)C1CCC1 185645967 HNZSYCDFTVWCIP-UHFFFAOYSA-N 221.344 2.970 30 20 BFED C#CCC(C)(C)C(=O)Nc1ccc(F)c(OC)c1 187649420 QHVPGVYXKVOPHF-UHFFFAOYSA-N 249.285 2.822 30 20 BFED C=CCC1(C(=O)Nc2cnn(CCC)c2)CCC1 188295568 RGSQZTBUAXSXAH-UHFFFAOYSA-N 247.342 2.978 30 20 BFED C[C@@H]1CCCC[C@H]1CNCc1cc(C#N)n(C)c1 189590839 YWXGEMNJMSIPNT-OCCSQVGLSA-N 245.370 2.813 30 20 BFED C#CCN(C)C(=O)C[C@H](CC)CCCC 191052048 NGSCBCSBJYBFEW-GFCCVEGCSA-N 209.333 2.685 30 20 BFED CN(C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H](C#N)C2)C1 192932739 NBMBYIBWKYRVGL-LJISPDSOSA-N 249.402 2.531 30 20 BFED Cc1nc(CSCc2ccc(C#N)cc2)no1 194132704 UMZWSRVSBRNLCX-UHFFFAOYSA-N 245.307 2.683 30 20 BFED C=C(C)COC(=O)/C=C\c1ccc(OC)cc1 201331256 NSIWHGFEWMSENW-TWGQIWQCSA-N 232.279 2.828 30 20 BFED Cc1ccc(Cl)cc1C(=O)N(C)[C@@H](C)C#N 213328927 FJUJEROTEXNXIG-VIFPVBQESA-N 236.702 2.633 30 20 BFED C[C@@H](NC[C@H]1CCSC1)c1cccc(C#N)c1 226383766 AOAQMMXRXOGROH-DGCLKSJQSA-N 246.379 2.962 30 20 BFED C#C[C@@H](CC)NCc1ccc(OCC)cc1 229884667 GNWYHIREHRVHIR-ZDUSSCGKSA-N 217.312 2.587 30 20 BFED C#C[C@H](CC)NCc1ccc(C)cc1C 229895689 VJRHRAOFSHJZSZ-CQSZACIVSA-N 201.313 2.805 30 20 BFED Cc1cccc(C)c1C(=O)N1CCC[C@@H](C#N)C1 235773513 GHPRQGRTMLEIMA-ZDUSSCGKSA-N 242.322 2.679 30 20 BFED N#CCCCCNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 246075652 CQWAHKOZCLFVCQ-AVGNSLFASA-N 234.343 2.623 30 20 BFED C=CCC[C@H](C)N[C@H]1CCCCC[C@H]1O 252877402 XRXFACOAJOZEDD-RWMBFGLXSA-N 211.349 2.624 30 20 BFED N#Cc1ccnc(SC/C=C\Cl)c1 255495791 AFRDFGIAUZOAEC-IWQZZHSRSA-N 210.689 2.798 30 20 BFED N#CC[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 259830839 DVGYMGWKWNBTQT-NSHDSACASA-N 246.285 2.592 30 20 BFED C=CCCC(=O)Oc1ccc(OC)cc1 263662269 JWKUVSPITKMARK-UHFFFAOYSA-N 206.241 2.567 30 20 BFED Cc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1F 267255216 OXUKYJJCYKXNKR-GFCCVEGCSA-N 248.301 2.802 30 20 BFED C=CCCC(=O)OCc1ccc(CC#N)cc1 271845688 HRSHHHMSZNMRDW-UHFFFAOYSA-N 229.279 2.762 30 20 BFED C=CCC[C@@H](C)N[C@@H]1CCCc2cn[nH]c21 273349472 BKVVPBBATKNKOQ-ZYHUDNBSSA-N 219.332 2.731 30 20 BFED C=CCCc1nc(C2(OC)CCCC2)no1 273997989 YFKKTJVRLRWGJH-UHFFFAOYSA-N 222.288 2.604 30 20 BFED C#CCCCN1CCC[C@H]1c1ccc(COC)o1 274517683 WBJXOYHESLCBML-AWEZNQCLSA-N 247.338 2.976 30 20 BFED C=CCCCCNC(=O)N1CC=C(C)CC1 274698255 XFAVNDLJBDPVMF-UHFFFAOYSA-N 222.332 2.704 30 20 BFED C=CCCN(C)C(=O)[C@@H](C)c1cccs1 276350629 HJWFRMHJGSWXCF-JTQLQIEISA-N 223.341 2.886 30 20 BFED C#CCCCC(=O)N[C@@H](CC#C)c1ccccc1 277620836 JWSWDCPWRYZSOZ-HNNXBMFYSA-N 239.318 2.671 30 20 BFED C#CCCCSCC(=O)OCc1ccccc1 279929159 LHDPJMQSAOVSJW-UHFFFAOYSA-N 248.347 2.876 30 20 BFED C=C(Cl)CNC(=O)[C@@H](C)CCCC 282762238 UEBIHSIMMXWIQK-QMMMGPOBSA-N 203.713 2.681 30 20 BFED CC(C)C(=O)CCN(CCC#N)Cc1ccco1 290158787 DBIBENOSRTYQCR-UHFFFAOYSA-N 248.326 2.610 30 20 BFED C[C@@H](c1ccccc1)N(C)C(=O)CCCC#N 290994504 SCTQIQFIXQQDFJ-LBPRGKRZSA-N 230.311 2.900 30 20 BFED CCS[C@@H](C)c1noc(CCCC#N)n1 291057745 JJDIZWXSGPOYLC-QMMMGPOBSA-N 225.317 2.730 30 20 BFED COC1(CCNc2ccc(C#N)c(C)n2)CCC1 292840241 QKMRUHMUJFPAHV-UHFFFAOYSA-N 245.326 2.633 30 20 BFED 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2.700 30 20 BFED CC(C)CC[C@@H]1CCCN1C(=O)[C@H](C)C#N 489372014 QJEJESXIPDOCJT-NEPJUHHUSA-N 222.332 2.573 30 20 BFED C=CCCCCN(C)Cc1cccnc1 516908022 LVKLXVPRLWDYST-UHFFFAOYSA-N 204.317 2.870 30 20 BFED C[C@@H]1CCC[C@@]1(O)c1ccccc1C#N 521401506 IQHJMOKJXKFJBL-MFKMUULPSA-N 201.269 2.566 30 20 BFED C=CCCS(=O)(=O)N(C(CC)CC)C1CC1 532449210 JMBOBBSOPMRAJG-UHFFFAOYSA-N 245.388 2.545 30 20 BFED C=C(CC)CN[C@H](C(=O)OC)C1CCCCC1 543544492 QCXCUEUITBSQCF-ZDUSSCGKSA-N 239.359 2.664 30 20 BFED COc1ccc(F)c(N[C@H]2CC[C@@H](CC#N)C2)n1 563425669 PVTKYWHWPRMTLO-UWVGGRQHSA-N 249.289 2.724 30 20 BFED C=CC(C)(C)CNC(=O)[C@H]1C[C@H]2CC[C@H]1C2 572236811 OLGHPFARASPNPI-SRVKXCTJSA-N 221.344 2.751 30 20 BFED CCC[C@]1(C)CCCN(c2ncncc2C#N)C1 575119164 GLBBTZVWHOUTFV-CQSZACIVSA-N 244.342 2.755 30 20 BFED C=CCCCCN1CCCC[C@H]1C(=O)OCC 575872595 WSEAGAKCKIUBIR-ZDUSSCGKSA-N 239.359 2.760 30 20 BFED Cc1cc(C(=O)N[C@@]2(C#N)CC2(C)C)c(C)s1 589811610 CVVZNDSJEJFYFR-CYBMUJFWSA-N 248.351 2.787 30 20 BFED 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247.319 2.857 30 20 BFED CC#CCCOc1cccc2cnoc12 1327715819 YXOSXURVYXFOHC-UHFFFAOYSA-N 201.225 2.620 30 20 BFED C=C(C)CCC(=O)N1CC[C@@H](C(F)(F)F)C1 1336133054 YSLWSFBCTRRGJW-SECBINFHSA-N 235.249 2.754 30 20 BFED CC(C)=CC(=O)O[C@@H](C)CC#Cc1cccnc1 1343720322 JEMYPXORMVYKDR-ZDUSSCGKSA-N 243.306 2.721 30 20 BFED C=CCCC(=O)Oc1cc(CC)ccc1C(=O)O 1609324747 NONGXQIEUOJSEQ-UHFFFAOYSA-N 248.278 2.819 30 20 BFED O=C(O)[C@@H]1CCCC(=NOC2CCCCC2)C1 1610740036 FOUDTKNOTCKITE-SNVBAGLBSA-N 239.315 2.967 30 20 BFED C#Cc1nc2ccc(SC)cc2s1 1898240708 JZQRVGHMGVCVAQ-UHFFFAOYSA-N 205.307 3.000 30 20 BFED C=CCNC(=O)c1ccc2c3c(cccc13)CC2 11241206 SVYKKFFYHKGPCJ-UHFFFAOYSA-N 237.302 2.854 30 20 BFED N#CCSc1ncc(-c2ccc(F)cc2)[nH]1 19298253 JZOVZTBFIMXVKN-UHFFFAOYSA-N 233.271 2.831 30 20 BFED CN(CCC#N)c1ncc(Cl)cc1Cl 19834345 KSLMXIJMIJRNPH-UHFFFAOYSA-N 230.098 2.738 30 20 BFED CC[C@H]1CO[C@@H](C)CN1Cc1ccccc1C#N 42223985 DHZUMQCFWVRFBK-WFASDCNBSA-N 244.338 2.558 30 20 BFED CC[C@@H](C)CN(C)C(=O)C1(C#N)CCCC1 44765539 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CCCC(=O)N[C@@H](CCC#N)c1ccccc1 153591161 RMVMDOVBVFGLNV-ZDUSSCGKSA-N 230.311 2.948 30 20 BFED C=CCCOCCNC(=O)c1cc(C)ccc1C 155095264 MUUHGIXIDSHZJJ-UHFFFAOYSA-N 247.338 2.626 30 20 BFED C=C[C@@H](C)NC(=O)c1ccccc1OCC1CC1 155664336 RFPNXDOOSSPHJZ-LLVKDONJSA-N 245.322 2.780 30 20 BFED C#CCN(CC1CC1)C(=O)/C=C/c1ccccc1 156787236 WGKDRVARXYFFLW-ZHACJKMWSA-N 239.318 2.572 30 20 BFED CC[C@H](SC)C(=O)OCc1ccc(C#N)cc1 157317294 YENIKZJYBOQFSP-LBPRGKRZSA-N 249.335 2.743 30 20 BFED C=CCN(C)C(=O)c1scnc1C(C)(C)C 161710470 WBSLZDFWBRPZBG-UHFFFAOYSA-N 238.356 2.699 30 20 BFED Cc1ccc(C#N)c(N2CCC3(CCC3)C2)n1 161825408 WLUOXFJDBJRAHK-UHFFFAOYSA-N 227.311 2.642 30 20 BFED N#CCC1(CN2CC[C@@H]3CCCC[C@@H]32)CC1 162676380 QTEBBZWRTNCKRF-STQMWFEESA-N 218.344 2.945 30 20 BFED CC1(C)C[C@@H](NCCCCC#N)C(C)(C)O1 167264539 ZCFIJHRUEQOARG-LLVKDONJSA-N 224.348 2.616 30 20 BFED CC[C@@H](Sc1cccc(C#N)c1)C(=O)OC 177358887 HQEWSJVZORKUFV-LLVKDONJSA-N 235.308 2.602 30 20 BFED COC[C@H](Cc1ccccc1)NCCCCC#N 178645485 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30 20 BFED C=CCC[C@H](NCc1snnc1C)C1CC1 293318456 FMQWODAEMZRQCA-NSHDSACASA-N 237.372 2.681 30 20 BFED C=CCOCCN(C)[C@H](C)c1cccs1 293634324 XAOGVOCYVFZXLK-LLVKDONJSA-N 225.357 2.944 30 20 BFED C=C[C@H](CC(=O)NOC(C)C)c1ccccc1 295746342 UFEMDSHNQYGHBF-GFCCVEGCSA-N 233.311 2.803 30 20 BFED C=CCNN=Cc1ccc(Br)s1 307930778 BYWVERURQHZRKX-UHFFFAOYSA-N 245.145 2.620 30 20 BFED C=CCCC[C@H](C)N[C@H](C)[C@@H]1CCCO1 308894247 YULMNJJYVQEHTQ-XQQFMLRXSA-N 211.349 2.888 30 20 BFED CCC#C[C@@H](C)N[C@H](C)c1cccnc1 309119503 NAHKUJCVVQDSKN-VXGBXAGGSA-N 202.301 2.534 30 20 BFED CCCN(c1ccc(C#N)c(C)n1)C(C)C 309264608 FBIUMOARICWWBN-UHFFFAOYSA-N 217.316 2.887 30 20 BFED C=CCC(C)(C)CN[C@H](CCC)C(=O)OCC 310466984 HFHHLLPXIXNVKE-GFCCVEGCSA-N 241.375 2.910 30 20 BFED C=CCC(C)(C)CNc1ccc(C)nn1 310572414 ONCYVTQGKUPBDG-UHFFFAOYSA-N 205.305 2.799 30 20 BFED C=CCC[C@H](CO)N[C@H](C)CCc1ccccc1 320348619 CCFXSVVSRISXGQ-GDBMZVCRSA-N 247.382 2.924 30 20 BFED C[C@@H]1CC[C@H](C(O)=Nc2cccc3c2OCO3)O1 329291263 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BFED Cc1cccc2c(=NC3CCC3)c(C#N)c[nH]c12 610277191 CVXCMUILYUYHEQ-UHFFFAOYSA-N 237.306 2.801 30 20 BFED C=CC[C@@H]1CCCN([C@H](CCC)C(=O)O)C1 656759261 AEENMGFUKQHISY-VXGBXAGGSA-N 225.332 2.528 30 20 BFED C=CCCn1cc(CNCC2(CCC)CC2)nn1 657396660 XQMGNLWXMGMXMS-UHFFFAOYSA-N 248.374 2.524 30 20 BFED C=CCCNC(=O)N[C@H](C)c1ccc(OC)cc1 660506647 ZTOHQAJASGDVBV-LLVKDONJSA-N 248.326 2.632 30 20 BFED C=CCN(CCc1cscn1)C(C)(C)C 661760290 PGVKVYJDLUMMBV-UHFFFAOYSA-N 224.373 2.972 30 20 BFED C=C[C@H]1CCCCN1C(=O)N[C@@H](CC)C1CC1 666689275 JZKZKMPDMIQUFV-STQMWFEESA-N 236.359 2.925 30 20 BFED C=CC1CCN(Cc2c(C3CC3)cnn2C)CC1 667623658 ANIDQRWAHKSBFA-UHFFFAOYSA-N 245.370 2.696 30 20 BFED C=C(C)CN(C)Cc1cc(COC)cs1 667943144 BGFDCMDKFQPGES-UHFFFAOYSA-N 225.357 2.902 30 20 BFED C=C[C@H]1CCCCN1c1ncnc2c1CCCC2 683757577 NUXNXPVEOAYWFU-LBPRGKRZSA-N 243.354 2.900 30 20 BFED C#CCCCCC(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 710363918 UQEMUJMBUJACGF-BYNSBNAKSA-N 245.366 2.685 30 20 BFED C#Cc1cccc(N(C)C(=S)NC(C)(C)C)c1 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C=CC[C@@H]1N(Cc2nonc2C)CCCC1(C)C 769953742 PGPJVKPFAWCDFL-ZDUSSCGKSA-N 249.358 2.945 30 20 BFED C=CCCCCNC(=O)c1csc(C=O)c1 771555441 FQSAXOXXNNOZDM-UHFFFAOYSA-N 237.324 2.647 30 20 BFED C[C@H]1CCC(=NOC2CCOCC2)C[C@H]1C 774456794 GMTAXQFSWUCYEG-WDEREUQCSA-N 225.332 2.994 30 20 BFED CC(C)(C#N)CCOC(=O)[C@H]1Cc2ccccc21 776390315 VGXAOSOGASCVJS-ZDUSSCGKSA-N 243.306 2.809 30 20 BFED C#CCCCCC(=O)OCCC(C)(C)C#N 776400322 UVGQIGCALVQKDR-UHFFFAOYSA-N 221.300 2.663 30 20 BFED COC[C@H](C)NN=C1CCC(C)(C)CC1 777893352 QCVIHLHQZQNJSY-JTQLQIEISA-N 212.337 2.567 30 20 BFED CC/C(C)=C(\C)C(=O)N[C@](C)(C#N)CC 779992753 NOVYQFDGQPBROR-VMPCVLLUSA-N 208.305 2.541 30 20 BFED CC1(C)C[C@H](NN=C2CC(C(F)F)C2)CCO1 780250278 OAMWRJBNAJTDSE-YGPZHTELSA-N 246.301 2.565 30 20 BFED C[C@@H]1CCC(=NNc2ncc(F)cn2)[C@H](C)C1 783861710 GDQALZZTNWMOIH-RKDXNWHRSA-N 236.294 2.840 30 20 BFED C=C(C)CNc1cc(C#N)ccc1OCCOC 783896674 RSFXSJJFBPGENF-UHFFFAOYSA-N 246.310 2.571 30 20 BFED C=C[C@](C)(CC)C(=O)O[C@H](C)c1nnc(C)o1 785761341 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C=C(C)CCOC(=O)[C@H](OC)[C@@H](C)CC 796735788 KTVINJXJIYHLJC-WDEREUQCSA-N 214.305 2.557 30 20 BFED CC(C)C[C@H](C)C=NNc1ccc(C(=O)O)cn1 799112585 WMUZKHPWBCDYKC-JTQLQIEISA-N 249.314 2.860 30 20 BFED CC[C@@H](C)NN=C1CCCc2cccnc21 799113458 GPDHWZWVMGJGSE-SNVBAGLBSA-N 217.316 2.510 30 20 BFED CCC[C@@H](C)C(CC)=NNCC(C)(C)CO 799116248 BFHUHTJGFLERPW-LLVKDONJSA-N 228.380 2.797 30 20 BFED Cc1cccc(COC(=O)CCCCCC#N)n1 805696119 WJQYVTBTGDLBLO-UHFFFAOYSA-N 246.310 2.907 30 20 BFED C#C[C@H](NC(=O)c1occ2c1CCC2)C(C)(C)C 807884807 YATUJDPNSAKLJI-LBPRGKRZSA-N 245.322 2.546 30 20 BFED CCO[C@@H]1CC(=NNC(CC)CC)[C@@H]1SC 807973633 UIHXBNZGPBKNHA-NEPJUHHUSA-N 244.404 2.661 30 20 BFED C#C[C@H](NC(=O)N[C@H](CC)CC=C)C(C)(C)C 808298723 QKGMTRBRTBYISF-NEPJUHHUSA-N 236.359 2.688 30 20 BFED C1CC2(C1)CC(=NNC[C@@H]1CCSC1)C2 811657640 CMQOOUOGJKPJIQ-JTQLQIEISA-N 224.373 2.649 30 20 BFED CSCCCC=NNc1ccc(C)cn1 814831804 RKRDUULJVKZYFY-UHFFFAOYSA-N 223.345 2.931 30 20 BFED CC[C@@H](C)NN=C1CCCC[C@@H]1CCCO 814912954 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233.355 2.827 30 20 BFED C=C(C)CCNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 840793759 YCQWTRNTNLGBLG-SDDRHHMPSA-N 238.400 2.605 30 20 BFED Cc1cc(CNCC2(C#N)CCC2)cc(Cl)n1 841899599 WZNODSIKKGLCLK-UHFFFAOYSA-N 249.745 2.827 30 20 BFED C#C[C@H](NC(=O)[C@H]1CC[C@@H](C)C1)c1ccccc1 843638526 CJWGZSNPTWKALQ-SNPRPXQTSA-N 241.334 2.913 30 20 BFED C#C[C@H](C)N(C)C(=O)[C@@H](C)c1ccc(Cl)cc1 844498104 AFJAVOXNOKCSLW-QWRGUYRKSA-N 249.741 2.924 30 20 BFED C=C(C)CON=Cc1ccc(O)c(OCC)c1 844615440 RSWHIOFRNXOADZ-UHFFFAOYSA-N 235.283 2.718 30 20 BFED C[C@H](C#N)OC(=O)CCCc1ccc(F)cc1 848843629 SLENRAKDEDAMBF-SNVBAGLBSA-N 235.258 2.604 30 20 BFED C=C(CC)Cn1cc(-c2cccnc2Cl)nn1 849145545 AXFKRXSOBCLXLM-UHFFFAOYSA-N 248.717 2.960 30 20 BFED C#CCCCCCOC(=O)c1ncccc1F 850929805 PKKDAGRNZHOVFH-UHFFFAOYSA-N 235.258 2.571 30 20 BFED C#C[C@@](C)(CC)NCc1ccc(F)cc1C#N 852100596 YORSSUBDUFFGTG-AWEZNQCLSA-N 230.286 2.589 30 20 BFED C/C(=C/C(=O)N(C)[C@H](C)CC#N)c1cccs1 857149323 XUVXRWBRERJZSJ-DWOQACPDSA-N 248.351 2.912 30 20 BFED CCC(C#N)(CC)C(=O)O[C@H]1CCC[C@H](C#N)C1 860826592 ZSVKARLEULHRGM-RYUDHWBXSA-N 248.326 2.942 30 20 BFED C#C[C@@H](NC(=O)Nc1cc(C)ccn1)C(C)(C)C 865996629 PKUNLQDUPADIOB-LLVKDONJSA-N 245.326 2.559 30 20 BFED C#CCOCCn1ccc(-c2cccc(C)c2)n1 871790224 FYCINGKWHAMNBL-UHFFFAOYSA-N 240.306 2.508 30 20 BFED Clc1ccnc(NN=C2CC[C@@H]3C[C@H]23)c1 872364580 OHQYESMCMOOUCE-APPZFPTMSA-N 221.691 2.933 30 20 BFED CCNc1ccccc1C=NOC[C@@H]1CCOC1 872368108 PITGQWLLHRYYGB-GFCCVEGCSA-N 248.326 2.505 30 20 BFED C=CCCCOC(=O)C1(C)CC(F)(F)C1 873439261 KYMFSVXXTLWMDD-UHFFFAOYSA-N 218.243 2.931 30 20 BFED C[C@H](CC#N)OC(=O)C1CCC=CCC1 873505831 QOHWCVMNCUFRCS-SNVBAGLBSA-N 207.273 2.578 30 20 BFED C[C@H](CC#N)NCc1nc(Cl)ccc1Cl 878820925 QTLNTFPPLLVBNK-SSDOTTSWSA-N 244.125 2.780 30 20 BFED C=CC(C)(C)CC(=O)NCc1cnc(C)cc1C 880240866 OFRDRAOBUPAPQX-UHFFFAOYSA-N 246.354 2.917 30 20 BFED Cc1ccc(N2CCC[C@@H](C3CC3)C2)c(C#N)n1 882379136 REJZYFZCSAWUFM-CYBMUJFWSA-N 241.338 2.888 30 20 BFED C=C(C)CN(CC)c1cc(C)cc(C#N)n1 891723310 LSSQKRHVTPCUTH-UHFFFAOYSA-N 215.300 2.664 30 20 BFED C=CCONC(=O)CCCCc1ccccc1 897923238 AHIWMOKTJJCZJF-UHFFFAOYSA-N 233.311 2.633 30 20 BFED C=C1CN(C(=O)c2ccc(OC3CCC3)cc2)C1 898698282 JFPXLJOSWSHWJN-UHFFFAOYSA-N 243.306 2.630 30 20 BFED C=C1CN(C(=O)[C@@H](CC)Oc2ccccc2C)C1 898698457 MKADFBMPCZYJTM-CYBMUJFWSA-N 245.322 2.551 30 20 BFED C=C1CN(C(=O)c2cccc(C3CCC3)c2)C1 898701363 MMECPSAMRJILGG-UHFFFAOYSA-N 227.307 2.966 30 20 BFED C=CC[C@@H](NCc1ccc(CCC)cc1)C(=O)O 901678708 SHHMEFCSOGJDTI-CQSZACIVSA-N 247.338 2.758 30 20 BFED CC(=O)C(C)=NOCc1cccc(OC(C)C)c1 902760367 PLOHNRRWVHPGDY-UHFFFAOYSA-N 249.310 2.955 30 20 BFED Cc1ccc([C@H](C)NCC2(C#N)CC2)c(C)n1 903105982 JWVBWQXIFPCGPV-NSHDSACASA-N 229.327 2.653 30 20 BFED C[C@H]1CCN(C(=O)c2ccsc2C#N)C[C@@H]1C 907183186 JEXDZTWMJMJNCP-UWVGGRQHSA-N 248.351 2.738 30 20 BFED Clc1ccc(C=NNc2ncccn2)cc1 912973297 REVNQJFUEBWITG-UHFFFAOYSA-N 232.674 2.576 30 20 BFED C#CCN(C(=O)NCc1cccc(C)c1)C(C)C 914010371 QQMQYBRBOLHFEX-UHFFFAOYSA-N 244.338 2.548 30 20 BFED Cc1c[nH]cc1C(=O)OCc1ccccc1C#N 920580931 FBSJCVIGWQDRQM-UHFFFAOYSA-N 240.262 2.552 30 20 BFED Cc1ccc(C#N)cc1C(=O)OCC(C)C 924393590 ASPCRNIQAPJTKQ-UHFFFAOYSA-N 217.268 2.680 30 20 BFED C=CCCNC1CCN(CCC(C)C)CC1 926685006 JLVNTIJJOGGNRE-UHFFFAOYSA-N 224.392 2.663 30 20 BFED C=CCC[C@@H](NC[C@H](O)CC#N)c1ccccc1 930229182 QTJVQQDDKKYFRD-HUUCEWRRSA-N 244.338 2.558 30 20 BFED C=C[C@H](CC)CC(=O)NCCOCCCC 930924294 AJPJZAVDKMMGNX-GFCCVEGCSA-N 227.348 2.522 30 20 BFED CC#CCN(OC)[C@@H](C)c1ccccc1OC 932546172 SJODNNJCAFWJFN-LBPRGKRZSA-N 233.311 2.643 30 20 BFED C=C[C@H](CC)CC(=O)N[C@H]1CCC1(C)C 935975413 VBKKROFVNXHQPZ-MNOVXSKESA-N 209.333 2.894 30 20 BFED C=CCN(C(=O)NC/C=C\C1CC1)C(C)C 1261297409 ZHQNQSSVWZXKBC-WAYWQWQTSA-N 222.332 2.559 30 20 BFED C=CCCC[C@@H](C)NC(=S)NCC1CCC1 1319956476 XKIWLAVVZVMQSF-LLVKDONJSA-N 240.416 2.995 30 20 BFED CCN(Cc1ccoc1)c1cccc(CC#N)n1 1320363734 IZNFDUKLHJDSDS-UHFFFAOYSA-N 241.294 2.767 30 20 BFED CCc1nnc(/C=C/c2ccccc2C#N)o1 1322123452 QDNKRABDTYSLOW-BQYQJAHWSA-N 225.251 2.674 30 20 BFED C=C[C@@H](COC)N[C@@H](C)c1ccc2c(c1)COC2 1325619418 FTPFECOJUPKEKR-NHYWBVRUSA-N 247.338 2.568 30 20 BFED C=CC[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)C(=O)O 1334016594 PBMQGGUHTODSCZ-WCQGTBRESA-N 249.310 2.522 30 20 BFED C=C(C)CCC(=O)Nc1nc(C(F)(F)F)co1 1338932795 FVTVMMNPZYEWDP-UHFFFAOYSA-N 248.204 2.988 30 20 BFED CCO[C@@H]1CC(=NOC(C)(C)C)[C@H]1SC 1342844491 VGPSOUOMXXDNOX-NXEZZACHSA-N 231.361 2.698 30 20 BFED C=CCc1ccccc1OC(=O)[C@H]1C[C@@H]1F 1346176401 FEOHFGPUJWNJQX-QWRGUYRKSA-N 220.243 2.679 30 20 BFED CCC(C#N)(CC)C(=O)N[C@@H]1CCC[C@@H](F)C1 1348368675 TUZPDVXSLUPCKF-GHMZBOCLSA-N 240.322 2.713 30 20 BFED C=C(CC)C(=O)N[C@H]1CCOC2(CCCC2)C1 1349330054 LJXCPKLCDPCFDA-LBPRGKRZSA-N 237.343 2.561 30 20 BFED C=C(C)CCC(=O)N1CCSc2ccncc21 1354827669 DECFFONFJJQMRA-UHFFFAOYSA-N 248.351 2.877 30 20 BFED C=CC(=O)Nc1cccc(OCC(=C)C)c1 1356519594 FRKIAHBSORWDBP-UHFFFAOYSA-N 217.268 2.766 30 20 BFED C=C[C@@H](C(=O)O)N1CCC[C@H](C2CCCC2)C1 1588662776 HHSDUUDNSPDFIZ-STQMWFEESA-N 237.343 2.528 30 20 BFED C=C[C@H](SCCCc1ccccc1)C(=O)O 1588715524 YOARMQAAKRRFGA-LBPRGKRZSA-N 236.336 2.992 30 20 BFED N#Cc1csc(CNc2cc(F)ccn2)c1 1657965647 HKMYDQFIANBBQK-UHFFFAOYSA-N 233.271 2.766 30 20 BFED C=CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 20084866 ISKJHVGBCXRYAZ-JTQLQIEISA-N 220.272 2.740 30 20 BFED N#Cc1ccc(N[C@H]2CCC[C@@H]2O)cc1Cl 37690094 XRRPJQOTCZCFOR-RYUDHWBXSA-N 236.702 2.537 30 20 BFED COC(C)(C)C[C@H](C)NCc1cccc(C#N)c1 37748803 ZNAJWQQFKLTCNR-LBPRGKRZSA-N 246.354 2.851 30 20 BFED CCC(CC)C(=O)N(CCC#N)C(C)C 42530380 VKCIXCOJBYSNEY-UHFFFAOYSA-N 210.321 2.573 30 20 BFED CCN(Cc1ccc(C#N)cc1)CC(F)(F)F 42764065 QMYYAHYHJICNHA-UHFFFAOYSA-N 242.244 2.942 30 20 BFED Cc1cccc(CCC(=O)N(C)C[C@H](C)C#N)c1 49832691 SCRBSSAZVPMQPA-CYBMUJFWSA-N 244.338 2.546 30 20 BFED C=CCN(CC=C)Cc1cn2cccc(C)c2n1 52868513 ITWKDCOZBJYBRR-UHFFFAOYSA-N 241.338 2.817 30 20 BFED Cc1ccc(C(=O)NCCCC#N)cc1Cl 63021697 PZGOITOWJZVTCB-UHFFFAOYSA-N 236.702 2.682 30 20 BFED C=CCCN[C@@H](C)Cc1ccc(F)cc1 70592364 BEKOPIZGJLDTRR-NSHDSACASA-N 207.292 2.922 30 20 BFED C[C@H](NC(=O)C1CCCC1)c1cccc(C#N)c1 75272850 KQATWVWNZQVBQK-NSHDSACASA-N 242.322 2.926 30 20 BFED C/C=C/C=C/C(=O)Nc1ccc(F)c(C#N)c1 76826060 QWGNIEAEBWBOQT-MQQKCMAXSA-N 230.242 2.768 30 20 BFED C#CCNC(=O)N1CCCCC[C@@H]1c1ccco1 77538592 XDKWCTZUDSTBDR-GFCCVEGCSA-N 246.310 2.540 30 20 BFED C#Cc1cccc(N[C@@H]2CS[C@H](C)C2)c1 86933980 PFSVOIKFBSHUPB-MFKMUULPSA-N 217.337 2.974 30 20 BFED CC(C)(CNCCC#N)c1cccs1 87619702 TXUSKPZTFCPPEE-UHFFFAOYSA-N 208.330 2.529 30 20 BFED C[C@@]1(CNc2ccnc(C#N)c2)CCCS1 87793943 RYUQSSXYVWFADZ-LBPRGKRZSA-N 233.340 2.651 30 20 BFED C=CCCOC(=O)c1ccc(F)c(C)c1 103646472 TWSYYBVPFHDIPD-UHFFFAOYSA-N 208.232 2.867 30 20 BFED N#C[C@H](C(=O)C1=CCCCC1)c1ccccn1 122752121 BTAOXCOXHVDXRP-LBPRGKRZSA-N 226.279 2.758 30 20 BFED CC(C)(CO)CNc1ccc(Cl)cc1C#N 124282421 NGUKZTFUYWBXPG-UHFFFAOYSA-N 238.718 2.642 30 20 BFED CSCC[C@@H](C)Nc1ncccc1C#N 124763148 ILXZEOXCBLDMEQ-SECBINFHSA-N 221.329 2.507 30 20 BFED Cc1cc(F)ccc1C(=O)N1CCC[C@H](C#N)C1 127184586 KPXCDYKEADMVLJ-LLVKDONJSA-N 246.285 2.510 30 20 BFED C=CCSCCN[C@@H](C)c1ccncc1 129350278 LKRDENHNWMIEHE-NSHDSACASA-N 222.357 2.651 30 20 BFED CCC[C@@H](C)C(=O)Nc1ccc(C#N)cc1OC 130163307 JUAFEGPFXFUQKP-SNVBAGLBSA-N 246.310 2.942 30 20 BFED CCCCCCCC(=O)NC[C@@H](O)CCC 131436879 ZVWYXMUPKFWNEN-LBPRGKRZSA-N 229.364 2.624 30 20 BFED C=CC[C@@H](C)NC(=O)c1cc(F)c(F)cc1F 131595494 RDSMCPQZFKFPHZ-SSDOTTSWSA-N 243.228 2.798 30 20 BFED CC[C@H](C)C[S@](=O)Cc1cccc(C#N)c1 131737800 BULIKNXRPCNRQE-MEDUHNTESA-N 235.352 2.853 30 20 BFED C=CCCN1CCc2cc(OC)c(OC)cc2C1 132333105 BINBOOSPXVHUEB-UHFFFAOYSA-N 247.338 2.638 30 20 BFED CC[C@H]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 154395986 WYYHZSJTSQKDMB-QWRGUYRKSA-N 245.326 2.585 30 20 BFED C=CCCOC(=O)c1cnn(CCCC)c1C 154546225 JDSHOQVWMDBDBK-UHFFFAOYSA-N 236.315 2.725 30 20 BFED C#CCCCCNC(=O)CCCCCC 155975310 CLZSHBQPLMFUTG-UHFFFAOYSA-N 209.333 2.877 30 20 BFED CNc1ccccc1SC[C@H](C)C#N 157819830 LBFVCMKZQKGZEE-SECBINFHSA-N 206.314 2.980 30 20 BFED C=C[C@H](C)Nc1noc(-c2ccccc2)n1 157957671 HRNMZSQYGCMUQW-VIFPVBQESA-N 215.256 2.723 30 20 BFED COc1ccc(O)c(/C=N/[C@H]2C=CCCC2)c1 158177469 IEFDHLCBLMSTQZ-XBUHWIKASA-N 231.295 2.928 30 20 BFED CCCCN(C)Cc1ccc(F)c(C#N)c1 160480806 WJLNTMRBBHENBU-UHFFFAOYSA-N 220.291 2.929 30 20 BFED C[C@@H](NCc1ccc(C#N)cc1)C(F)(F)F 168330911 XGJJWGOBXMRFTB-MRVPVSSYSA-N 228.217 2.599 30 20 BFED CN(CCCSCC#N)CCc1ccccc1 173868489 ZXSMOPFJVUGFHN-UHFFFAOYSA-N 248.395 2.808 30 20 BFED C#CCCCNC(=O)/C=C/SCc1ccco1 175842002 NEOTVTLHPWZRRQ-JXMROGBWSA-N 249.335 2.556 30 20 BFED C=CCSCCN[C@@H](C)[C@@H](C)CC 180457257 YUGRTPQOVUMISB-QWRGUYRKSA-N 201.379 2.930 30 20 BFED C#CCNc1ccc(F)cc1NC(C)C 180657552 YDIAYDFWGCGXLB-UHFFFAOYSA-N 206.264 2.691 30 20 BFED C=CCCC[C@H](C)NC(=O)N[C@@H](C)CC=C 180796447 BGSKIZSPFFROSC-RYUDHWBXSA-N 224.348 2.995 30 20 BFED C=CCCC(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 183382130 ZOSOBBBLHXRACI-GRYCIOLGSA-N 209.333 2.894 30 20 BFED C=CCCCN[C@H](C(=O)OCC)[C@@H](C)CC 183602760 DCPYIRBJXQVRIL-RYUDHWBXSA-N 227.348 2.520 30 20 BFED CC#CCCCC(=O)N(C)c1cccc(C#N)c1 185271190 VOTXCZXMYIDHAR-UHFFFAOYSA-N 240.306 2.715 30 20 BFED Cc1ccc(O[C@@H](C)C(=O)OCCCC#N)cc1 194208442 CGUOZJODAIPJSY-LBPRGKRZSA-N 247.294 2.609 30 20 BFED Cn1nccc1/C=C\C(=O)c1ccc(Cl)cc1 210304823 KQTYJYJIOPBEJG-SREVYHEPSA-N 246.697 2.970 30 20 BFED C#C[C@@H](CCC)NC(=O)c1ccc(F)cc1C 233295180 AEGQKUHKXNJCPF-LBPRGKRZSA-N 233.286 2.666 30 20 BFED C#C[C@H](CC)N[C@@H]1CCC[C@@H](SC)C1 234035253 YMKMPBWDDITIHL-IJLUTSLNSA-N 211.374 2.662 30 20 BFED CCc1occc1C(=O)Nc1ccc(C#N)cc1 234182323 MAHCSXYRXVVAGJ-UHFFFAOYSA-N 240.262 2.966 30 20 BFED C=CCCNCc1cc(F)c(F)cc1F 236157356 JDXRLVDOCHRWHO-UHFFFAOYSA-N 215.218 2.770 30 20 BFED Cc1ccc(CNCC2(C#N)CC2)c(C)c1 258939878 POXYNNGILROGAR-UHFFFAOYSA-N 214.312 2.697 30 20 BFED Cc1nc(C#N)cc(-c2ccccc2C)n1 259290471 MQIKKRDQSBMFFU-UHFFFAOYSA-N 209.252 2.632 30 20 BFED CCC[C@@H]1CCCC[C@@H]1C/N=C1/NC[C@H](C)N1 263066760 GGLTZMUUKWXKPF-YNEHKIRRSA-N 237.391 2.530 30 20 BFED C=CCN1CC[C@@H](c2cccc(F)c2)C1 264158730 FEXDTQZSTRMVSK-GFCCVEGCSA-N 205.276 2.801 30 20 BFED C=CCCNc1ccc(C)c(N2CCOC2=O)c1 266743506 AFRMNNRKYXWVBM-UHFFFAOYSA-N 246.310 2.940 30 20 BFED C=C(C)CN(CC)c1nnc(C(F)F)s1 269384016 SXLTVOMCDMZVEK-UHFFFAOYSA-N 233.287 2.878 30 20 BFED C#CCCCN(C)Cc1ccc(F)cc1F 270981448 CLIFYELCZIXDSC-UHFFFAOYSA-N 223.266 2.810 30 20 BFED CC(C)(C)C(=O)OCc1ccc(CC#N)cc1 271898511 UXDKBRBUILHIEE-UHFFFAOYSA-N 231.295 2.842 30 20 BFED C#CCC(C)(C)C(=O)N[C@H](C)CCc1ccco1 274295637 QIJPWXNPHWHBGD-GFCCVEGCSA-N 247.338 2.766 30 20 BFED C=CCCCCN[C@@H](C)c1cn(C)nc1C 274591447 NMNCGKUZABMNJT-NSHDSACASA-N 221.348 2.735 30 20 BFED CCc1cnc(CN(C)[C@@H](C)CCC#N)s1 276351325 WMVOOTTUOAXLOI-JTQLQIEISA-N 237.372 2.830 30 20 BFED C=CCCN(C)C(=O)Cc1ccccc1CC 276419335 QEDOUJGTEPKDRQ-UHFFFAOYSA-N 231.339 2.826 30 20 BFED CN(Cc1cccs1)C(=O)CC(C)(C)C#N 278144806 AISGOJIZDZRMJT-UHFFFAOYSA-N 236.340 2.646 30 20 BFED COC[C@H](N[C@H](C)CCC#N)c1ccc(C)o1 278930994 LHTDOFXKMIOKLX-PWSUYJOCSA-N 236.315 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BFED Cc1cccc(N(C)C(=O)CC(C)(C)C#N)c1 278737335 OGCABDNAGUNYPT-UHFFFAOYSA-N 230.311 2.898 30 20 BFED CC[C@@H](C#N)SCC(=O)Nc1ccccc1 282219286 RDTOMINGKUKXMP-NSHDSACASA-N 234.324 2.660 30 20 BFED C=C(Cl)CN1CCCC[C@H]1c1cc[nH]n1 285529180 ZSCQVRMJVWUHPR-NSHDSACASA-N 225.723 2.689 30 20 BFED C=CCCN(C)C(=O)Nc1cc(Cl)ccn1 286668910 GKTCEAJLQYUMSE-UHFFFAOYSA-N 239.706 2.775 30 20 BFED C=C[C@H](CO)N[C@@H](C)c1cc2ccccc2o1 289673111 HILJNLDDZNEARO-CMPLNLGQSA-N 231.295 2.630 30 20 BFED C#CCN(C)C(=O)CCCc1ccccc1Cl 290724892 LPEFBVUAVLZSHJ-UHFFFAOYSA-N 249.741 2.754 30 20 BFED C=CCC(C)(C)C(=O)NCc1ccsc1 292602761 HKWIYAUBYGNGIC-UHFFFAOYSA-N 223.341 2.967 30 20 BFED C=CCC(F)(F)C(=O)N[C@@H]1C[C@H]1CCC 293422203 MUKFSLXWASTKTH-RKDXNWHRSA-N 217.259 2.503 30 20 BFED CCC(CC)Sc1nccc(C#N)n1 295441411 GMWJFBOUEMQGFO-UHFFFAOYSA-N 207.302 2.629 30 20 BFED C=CC(C)(C)C(=O)Nc1cc2c(cc1C)OCO2 295672617 GFLWLWUXAFCATR-UHFFFAOYSA-N 247.294 2.874 30 20 BFED N#Cc1cccc(C#N)c1N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 302887567 NYWHWRLTCJDPHM-CHTOTOAZSA-N 249.317 2.886 30 20 BFED CC(C)(C#N)CCN1CC[C@H](C(F)(F)F)C1 303442798 QEVLOVYVAGXXQX-VIFPVBQESA-N 234.265 2.810 30 20 BFED CC(C)CON=Cc1ccc(N)cc1Cl 308829231 IVXCNWCFQJRJBC-UHFFFAOYSA-N 226.707 2.929 30 20 BFED CC(C)CC[C@H](C)Nc1cc(C#N)ncn1 309323362 QQKBKCDWYVIDDX-JTQLQIEISA-N 218.304 2.585 30 20 BFED N#Cc1ccc(CNc2ccncc2F)s1 309514043 QQTMWTJXWFYLNL-UHFFFAOYSA-N 233.271 2.766 30 20 BFED N#Cc1cncnc1NC1CCCCCCC1 310385065 DIAKUPNWFGEYMV-UHFFFAOYSA-N 230.315 2.873 30 20 BFED C=C(CC)CNc1ccc([N+](=O)[O-])c(C)n1 313494935 URWDSPHPYJFINO-UHFFFAOYSA-N 221.260 2.676 30 20 BFED C=CCC[C@H](C)NC1C[C@@H]2CC[C@H](C1)N2C 322683886 HOUAJDZMIVDBTP-FUDCBSFHSA-N 222.376 2.556 30 20 BFED OC(=Nc1scnc1C1CC1)[C@H]1CCOC1 328920385 LVLIXWYIXHZPMR-QMMMGPOBSA-N 238.312 2.645 30 20 BFED CC1(C)CC=C(C(=O)N[C@]2(C#N)CC2(C)C)CC1 331996767 QYLWRRVSNJVRBK-HNNXBMFYSA-N 246.354 2.931 30 20 BFED C=C[C@@](C)(CC)C(=O)N1CC2(CCCC2)C1 334403087 ZXEBMIACBWVGLE-ZDUSSCGKSA-N 221.344 2.991 30 20 BFED C[C@@H]1CC[C@@H](C)N(c2ncc(C#N)cc2F)C1 334597394 KGPGPNPBPHVFAJ-NXEZZACHSA-N 233.290 2.717 30 20 BFED N#Cc1cnc(N[C@H]2CC[C@H](F)C2)c(Cl)c1 335620278 FJWKRFGZCNTVGN-IUCAKERBSA-N 239.681 2.909 30 20 BFED C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1CC#N 336494586 AGLQPZZGNFOEPQ-VHSXEESVSA-N 218.275 2.657 30 20 BFED C[C@@H](Nc1ccc(C#N)nc1)c1cncs1 336660774 CNZKZBLVHMHXQX-MRVPVSSYSA-N 230.296 2.583 30 20 BFED C=CCCN[C@@H](CCO)c1ccc(Cl)cc1 336682548 PSUXXRFBYCOXIT-ZDUSSCGKSA-N 239.746 2.929 30 20 BFED C=C(C)COCCNC(=O)[C@@H](C)C(CC)CC 341798757 JVEZRINQYYUARM-LBPRGKRZSA-N 241.375 2.768 30 20 BFED N#CCCN1CCC(CC(F)(F)F)CC1 341995841 SGLHLXYXOAIJOV-UHFFFAOYSA-N 220.238 2.564 30 20 BFED C[C@H]1CN(c2ccc(C#N)cn2)CC(C)(C)C1 343526404 NZDKIBDRHSCYFE-LLVKDONJSA-N 229.327 2.826 30 20 BFED CC(C)[C@@H](C#N)NC(=O)C[C@H](C)c1ccccc1 347288417 OEKXLVLKDYSAKO-GXTWGEPZSA-N 244.338 2.845 30 20 BFED CC1(C)CC[C@H](NC(=O)c2cc(C#N)cs2)C1 352136647 AVKKPPDNDARTMA-JTQLQIEISA-N 248.351 2.928 30 20 BFED C=CCN(Cc1cc(C#N)ccc1OC)C1CC1 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TWUREGONRAMGBO-YPMHNXCESA-N 241.400 2.848 30 20 BFED C=CC(C)(C)CNCc1cccc(OCC)n1 449486379 RUKZMFBLSKJIRC-UHFFFAOYSA-N 234.343 2.782 30 20 BFED C=C[C@@H]1OCC[C@H]1NC[C@@H](C)c1ccccc1 449520370 PBXFBDZRVGDCKO-YUELXQCFSA-N 231.339 2.723 30 20 BFED CCC[C@@H]1CCC[C@@H]1C(=O)NCCCC#N 450543249 JLNITFRNSMHKAM-NEPJUHHUSA-N 222.332 2.623 30 20 BFED C=CC(C)(C)CN=c1ccnc(C(C)C)[nH]1 450724189 MGCLKNSUJZIDTR-UHFFFAOYSA-N 219.332 2.646 30 20 BFED CC[C@@H](CC#N)NC(=O)[C@]1(C)CC=CCC1 450872612 AZUWYLHIIYICLQ-WCQYABFASA-N 220.316 2.541 30 20 BFED C=CCN(C)C(=O)N[C@@H](CC)C1CCCC1 455529387 XAZMNAITCCZNJI-LBPRGKRZSA-N 224.348 2.783 30 20 BFED CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cc(C#N)cs1 458115860 IHITVSGDDYMFHK-AAEUAGOBSA-N 248.351 2.784 30 20 BFED N#C[C@@H]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2F)C1 459739042 YTWAEYBXWHSSGL-REJLFOLJSA-N 244.313 2.963 30 20 BFED C=CCCC[C@@H](C)NC(=O)c1cccc(CO)c1 487218415 VJODLDVETSJRQP-GFCCVEGCSA-N 247.338 2.654 30 20 BFED C=CCCCCCN1CCC[C@H](C)[C@H]1CO 488132458 IUTRVHHTVDOBGZ-UONOGXRCSA-N 225.376 2.826 30 20 BFED C=CCn1cccc1C(=O)N(C)Cc1ccoc1 489058244 COHAEPHRWQCAKY-UHFFFAOYSA-N 244.294 2.539 30 20 BFED C#C[C@@H](CC)NC(=O)Nc1ccc(F)cc1C 491145279 KQEIAAWWZIHIHU-NSHDSACASA-N 234.274 2.667 30 20 BFED C#C[C@H](C)N(C)C(=O)c1cc2cc(C)ccc2o1 491679402 XHGUEJUIDFZEQS-NSHDSACASA-N 241.290 2.835 30 20 BFED C=CC1CCN(C(=O)[C@@H]2[C@@H](C)[C@@H]2C2CC2)CC1 528522577 SLIDYPHTXGXQIN-ZLKJLUDKSA-N 233.355 2.703 30 20 BFED Cc1cc(NC(=O)C2(C#N)CC(C)C2)ccc1O 533364132 XWFDATFPNGGALY-UHFFFAOYSA-N 244.294 2.579 30 20 BFED C=CCN(C)C(=O)NCCCc1cccs1 548607730 KBJCAUFGOFRBNU-UHFFFAOYSA-N 238.356 2.508 30 20 BFED C=CCC(CC=C)C(=O)N1CC(C(F)(F)F)C1 561307631 WOKVZECGPOAJRC-UHFFFAOYSA-N 247.260 2.776 30 20 BFED C=CCCCN(C)C(=O)N[C@H]1CCC[C@@H](F)C1 564795355 LVRLDPDTZUVBDZ-NEPJUHHUSA-N 242.338 2.875 30 20 BFED CSCCc1ccc(NCCC#N)cc1 566124517 IIHUAOQKGKJGMQ-UHFFFAOYSA-N 220.341 2.918 30 20 BFED C=CCC(C)(C)CNC[C@H](O)Cc1ccccc1 567378837 SLIDZXKNRPROGZ-OAHLLOKOSA-N 247.382 2.782 30 20 BFED CC1=C(C)C[C@H](C(=O)NCC2(C#N)CC2)CC1 569849775 DILKODGKGMAEDW-GFCCVEGCSA-N 232.327 2.543 30 20 BFED C=CCN(Cc1ccccc1)C(=O)[C@H](C#N)CC 593404680 URGJJJLCDCGJNJ-AWEZNQCLSA-N 242.322 2.751 30 20 BFED CC[C@H](C#N)C(=O)N1Cc2ccccc2C[C@H]1C 593486325 SITLUJXETNUOTH-VXGBXAGGSA-N 242.322 2.510 30 20 BFED Cc1cccc(N2CCC[C@H](CC#N)C2)n1 596330966 WCYYWSGJDLWDAA-GFCCVEGCSA-N 215.300 2.520 30 20 BFED CC(C)CCn1ccc(=NC[C@@H](C)CCC#N)[nH]1 602573679 KJWAXSVENXXMFA-ZDUSSCGKSA-N 248.374 2.703 30 20 BFED C[C@@H](NC(=O)Nc1cc(F)cc(C#N)c1)C1CC1 603073878 WVANEJWAGWDBGW-MRVPVSSYSA-N 247.273 2.617 30 20 BFED C=CCN(C(=O)C1=CCCCC1)[C@H](C)COC 617582697 SDVLBVUYDXWQJI-GFCCVEGCSA-N 237.343 2.536 30 20 BFED C=C[C@@](C)(CC)C(=O)N[C@H](CC)C1CC1 618868799 PWOUPGTWHNZBMD-YPMHNXCESA-N 209.333 2.894 30 20 BFED C=C(C)CNC(=O)Nc1cccc(OC)c1C 626745900 HYTHMQPZMOINPP-UHFFFAOYSA-N 234.299 2.701 30 20 BFED C=CC(C)(C)C(=O)NC[C@H](C)c1ccncc1 649077948 JPFSAYOYCRZFAQ-NSHDSACASA-N 232.327 2.514 30 20 BFED 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212.337 2.783 30 20 BFED C=CCN(C)C(=O)NCCCCCCSC 155894285 ISFGJGRBMKXPGX-UHFFFAOYSA-N 244.404 2.737 30 20 BFED C=CCCNC(=O)c1cccc(C)c1C 162278655 UDTKUHUVQCJVFT-UHFFFAOYSA-N 203.285 2.609 30 20 BFED C[C@@H](Cc1cccc(F)c1)NC[C@@H](C)C#N 164021432 UYQKJHXKQNALJQ-QWRGUYRKSA-N 220.291 2.506 30 20 BFED C=CCOCCCC(=O)NCCCC(C)C 173371187 HMQBVYPCRHISLM-UHFFFAOYSA-N 227.348 2.522 30 20 BFED CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(C#N)cn1 180172422 VPSSJRUZCLUKPV-ZJUUUORDSA-N 231.299 2.574 30 20 BFED COc1ccccc1CCCN(C)[C@@H](C)CC#N 182554332 ZGMHOAQCUJVZSJ-ZDUSSCGKSA-N 246.354 2.862 30 20 BFED CC#CCCCC(=O)N[C@@H](CC)CCC 185315859 AKHQEFXODSOSEP-LBPRGKRZSA-N 209.333 2.875 30 20 BFED C[C@@H](NCc1cc(C#N)n(C)c1)C1CCCCC1 189591921 MSENNFZVCREEIC-GFCCVEGCSA-N 245.370 2.955 30 20 BFED CCC(C)(C)N(CCC#N)C(=O)[C@@H](C)SC 189927647 RIWPMRLDAVOCLY-SNVBAGLBSA-N 242.388 2.669 30 20 BFED C#CCCCC(=O)N[C@@H]1CCC[C@H](CC)C1 192134313 QIYFHMWNWZDJQU-QWHCGFSZSA-N 221.344 2.875 30 20 BFED C#CCCCC(=O)N(c1nc(C)cs1)C1CC1 192340965 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2.693 30 20 BFED C=CCCCCNC1CCC(C(=O)OC)CC1 336709572 MSUMYJAWQBYVRW-UHFFFAOYSA-N 239.359 2.664 30 20 BFED C=CCNC(=O)Cc1ccc(SCC)cc1 337327840 QSZDLQAGDASLPZ-UHFFFAOYSA-N 235.352 2.643 30 20 BFED C=CCN1Cc2ccccc2C(C)(C)C1 340234773 DDEGXOSYLSMQPJ-UHFFFAOYSA-N 201.313 2.966 30 20 BFED C=CC[C@H](C)NC(=O)N1CCC[C@H](C2CC2)C1 341311706 VLMYMLDRJAFFPA-AAEUAGOBSA-N 236.359 2.783 30 20 BFED C=CCN[C@@H](C)c1ccc(OCC)c(OC)c1 341460697 FPHGFZGDJLZIOB-NSHDSACASA-N 235.327 2.931 30 20 BFED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H](OC)C1(C)C 342552975 RMYMRPVOCUCJKI-MNOVXSKESA-N 239.359 2.518 30 20 BFED C=CCCC(=O)N[C@H](C)c1ccc2n[nH]cc2c1 343426607 CZIOGBPRANNYKE-SNVBAGLBSA-N 243.310 2.706 30 20 BFED C=CCOCCCN(C)CCc1cccs1 348049558 OOEJXBBKXAEVMC-UHFFFAOYSA-N 239.384 2.815 30 20 BFED C=C(C)CCc1noc(CC2CCC(=O)CC2)n1 350330964 ZROMGLFPTIJGNT-UHFFFAOYSA-N 248.326 2.880 30 20 BFED C=CCC(C)(C)C(=O)N1CCC[C@@](C)(OC)C1 352097869 WJZWEAGMWZERQE-CQSZACIVSA-N 239.359 2.616 30 20 BFED 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2.571 30 20 BFED CC[C@@H](CCO)/N=C(/O)c1ccoc1C(C)C 331090366 HKEFLALQOJQNND-JTQLQIEISA-N 239.315 2.869 30 20 BFED CC(C)(C)c1nc(/C(O)=N/CCC#N)cs1 331217208 WHYQDXWSKKVPSY-UHFFFAOYSA-N 237.328 2.659 30 20 BFED CC1(C)CC(CC(=O)N[C@H](C#N)C(C)(C)C)C1 332056223 OPQIKKOYOBFGOC-LLVKDONJSA-N 236.359 2.867 30 20 BFED C=C[C@@H](C)NC(=O)c1cc(F)cc2cccnc12 334461281 VTCUCUVLHQVUNW-SECBINFHSA-N 244.269 2.678 30 20 BFED CC(C)c1ncsc1NC(=O)[C@]1(C#N)C[C@H]1C 334773599 SKJVXHWWBJPYBI-PELKAZGASA-N 249.339 2.755 30 20 BFED CC[C@@H]1CCCN1c1ccc(C#N)c(C)n1 335556893 VGSRJIKUOLRUBL-GFCCVEGCSA-N 215.300 2.641 30 20 BFED C=CCn1cccc1C(=O)N1[C@H](C)CC[C@H]1C 335717737 ZUMCZIPEUARMMN-VXGBXAGGSA-N 232.327 2.687 30 20 BFED C=C1CCN(C(=O)C[C@H]2CC[C@H](C)C2)CC1 336349828 ZXFUCNWRRZFITR-STQMWFEESA-N 221.344 2.991 30 20 BFED N#CCc1ccc(CN2CCC=C(F)C2)cc1 336562650 FVJOZUOTSPGUQS-UHFFFAOYSA-N 230.286 2.812 30 20 BFED C[C@@H]1CN(CC2(C#N)CC2)[C@@H]1c1ccccc1 336576052 UXNPDBVEQHLNIP-OCCSQVGLSA-N 226.323 2.983 30 20 BFED 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C=C[C@](C)(CCOC)c1nc(C2CCC2)no1 685241362 FOJNIQWHHLIZPD-CYBMUJFWSA-N 236.315 2.817 30 20 BFED C=CCN(Cc1cc(C(=O)O)cs1)C1CC1 711406941 LSZDTDJPWZWTDR-UHFFFAOYSA-N 237.324 2.597 30 20 BFED C[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H](C#N)C1 714390249 LVWSUOIAJGTUPL-UPJWGTAASA-N 234.343 2.575 30 20 BFED C=CCCCCCCNCc1ccon1 720381952 GMDVZDLJUWCBIA-UHFFFAOYSA-N 208.305 2.901 30 20 BFED C=CCNC(=S)N[C@H]1CCC[C@@H](C(C)C)C1 728796160 HWYQDMIIYHZROE-NEPJUHHUSA-N 240.416 2.851 30 20 BFED Cn1cccc1C=NNc1ccc(Cl)nc1 743450635 ONHJWFVLSFODEB-UHFFFAOYSA-N 234.690 2.520 30 20 BFED C#CCN(CC#CC)Cc1cc(C)sc1C 743852527 UPFIWGZKMFSZLN-UHFFFAOYSA-N 231.364 2.823 30 20 BFED CC1CC(NCc2ccc(O[C@H](C)C#N)cc2)C1 747100568 LTPUBXKHMJXCSW-MBHSVXNSSA-N 244.338 2.866 30 20 BFED CCC[C@H](C#N)NC(=O)C(C)=C1CCCC1 753600693 CDESBCBFPATXEA-GFCCVEGCSA-N 220.316 2.685 30 20 BFED C#CCN(CC#CC)C(=O)[C@@H](C)CCC(C)(C)C 754320591 UQJKJUQICATLLC-AWEZNQCLSA-N 247.382 2.934 30 20 BFED CCn1ccnc1C=NNc1cc(C)ccc1C 755564118 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BFED N#Cc1ccccc1/C=C\C(=O)c1cncs1 787171556 BJLFEJOBUADCBJ-WAYWQWQTSA-N 240.287 2.911 30 20 BFED C#Cc1ccc(CN2CCC[C@@H]2CSC)cc1 787770228 DBNSIBORJCWKFT-OAHLLOKOSA-N 245.391 2.995 30 20 BFED C#CCSc1n[nH]c(/C=C/c2ccc(C)o2)n1 789908036 LONXCXWIGGERSX-VOTSOKGWSA-N 245.307 2.602 30 20 BFED CC[C@H](C)NN=C1CCc2c(OC)cccc21 790183610 NYHYJKQSCTVTHQ-JTQLQIEISA-N 232.327 2.734 30 20 BFED CCO[C@H]1CC(=NN[C@@H](C)CC)C1(C)C 790183742 VKFWAYIURATTKY-ONGXEEELSA-N 212.337 2.566 30 20 BFED Cc1cccnc1C=NNc1ncccc1C 790189725 CUALKYPHQAWVEW-UHFFFAOYSA-N 226.283 2.539 30 20 BFED C#CCCCOC(=O)c1occc1C(C)C 792617847 SPVUOBPXVWNLIN-UHFFFAOYSA-N 220.268 2.973 30 20 BFED C=CCCCCC[C@H](C)N[C@@H](C)C(=O)NCC 793518585 POXAIPYTRFAPOW-STQMWFEESA-N 240.391 2.626 30 20 BFED C=CCNN=C/C=C/c1ccc(F)c(F)c1 794998978 RACPAOWHXMVUQE-QZTOKKKESA-N 222.238 2.739 30 20 BFED C#CCN(CCC1CC1)Cc1ccccc1 796639203 JJOXOPFIHJQPCT-UHFFFAOYSA-N 213.324 2.922 30 20 BFED C=C[C@H](SCCSC(C)(C)C)C(=O)OC 799891993 CXWSUKRGYFTFAU-VIFPVBQESA-N 248.413 2.979 30 20 BFED Clc1ccc2c(NN=C3COC3)ccnc2c1 814693800 IKDMHLYHCPUJCN-UHFFFAOYSA-N 247.685 2.686 30 20 BFED C[C@H]1CCC(=NNc2cncc(Cl)n2)C1 814797757 OVHDOHXHTVOSEG-ZETCQYMHSA-N 224.695 2.718 30 20 BFED Cc1ccc(NN=Cc2cccc(C)c2O)nc1 814831671 MGTMMWFYSABIPH-UHFFFAOYSA-N 241.294 2.850 30 20 BFED COc1cccc(/C=N/[C@@H]2CC[C@H](C#N)C2)c1O 818992632 RSOJSBTYFGKLDW-SVCCNBJCSA-N 244.294 2.512 30 20 BFED C=C[C@H](CC)CC(=O)N[C@@H](C)[C@@H](OC)C1CC1 821852590 MXBNANRAVVTVGL-MISXGVKJSA-N 239.359 2.518 30 20 BFED C=C(CC)CNCc1ccnc(Cl)c1F 825221695 WCVBDZMNMNCNOM-UHFFFAOYSA-N 228.698 2.930 30 20 BFED N#CC1(CSC(=S)N2CCCC2)CCC1 828704877 VFALYCCYMNCMEK-UHFFFAOYSA-N 240.397 2.794 30 20 BFED C=CC[C@@H](CC)NC(=O)C#Cc1cccs1 831728710 IYJHLTKQTCXPKE-LLVKDONJSA-N 233.336 2.571 30 20 BFED CC(=NNc1ccc(F)cn1)[C@H]1C[C@H]2CC[C@H]1O2 834957482 XEFCXNLEQPQNJM-IJLUTSLNSA-N 249.289 2.576 30 20 BFED CCC(=NN[C@@H]1CCCOC1)c1ccsc1 834973569 XUDQQAODZUZZAM-LLVKDONJSA-N 238.356 2.631 30 20 BFED 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BFED C=CC(C)(C)CNC(=O)Nc1ccc(N)c(C)c1 850771133 IKJCLYNLHXKVRV-UHFFFAOYSA-N 247.342 2.911 30 20 BFED C#C[C@](C)(CC)NCc1cn2cc(C)ccc2n1 852099194 GPRPJEATEWUUIJ-OAHLLOKOSA-N 241.338 2.534 30 20 BFED N#CC[C@@H]1CCCN(Cc2ccc(Cl)nc2)C1 852319572 PGKNCKKJCIMOIL-NSHDSACASA-N 249.745 2.861 30 20 BFED COC1(C(C)=NOC/C=C/Cl)CCC1 853347838 RRFSEIYUNMTINA-KDTVQIHFSA-N 217.696 2.701 30 20 BFED COC(=O)c1cccc(NN=C[C@@H]2C[C@H]2C)c1C 853397525 FRIZCOCYXMSSCM-KOLCDFICSA-N 246.310 2.835 30 20 BFED Cc1cc(C)cc(NC(=O)CON=CC2CC2)c1 853736663 JPWGSLMGYQFXBJ-UHFFFAOYSA-N 246.310 2.654 30 20 BFED CCN(C(=O)/C=C/C1CCCCC1)[C@H](C)C#N 856076409 YXRIUBVRDKIMCK-BZYZDCJZSA-N 234.343 2.883 30 20 BFED C#CC[C@H](CCOC)N[C@H](CC)CCC=C 862547623 KZUGOQHFMMMSEU-ZIAGYGMSSA-N 223.360 2.749 30 20 BFED C[C@@H]1CC(F)(F)CCN1C(=O)C#CC(C)(C)C 863010427 VSHGZQAYKMDUFO-SNVBAGLBSA-N 243.297 2.682 30 20 BFED N#C[C@@H](Cc1ccccc1)SC1=NCCS1 864237593 WNCUMQHWWFJCRI-LLVKDONJSA-N 248.376 2.957 30 20 BFED C=CCC[C@H](C)OC(=O)c1cnn(CC)c1C 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2.662 30 20 BFED C=CC(C)(C)C(=O)NCCc1sccc1C 450394224 PQGWFJDUCVVYOV-UHFFFAOYSA-N 237.368 2.927 30 20 BFED CC1(F)CC(Nc2ccc(C#N)c([N+](=O)[O-])c2)C1 450578112 INECHWBBDPAQSH-UHFFFAOYSA-N 249.245 2.769 30 20 BFED CC(C)[C@@H](C#N)NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 450940024 CREKSCGAMLUSAT-YVECIDJPSA-N 236.359 2.723 30 20 BFED C=C(C)CCNC(=O)c1cncc(OC(C)C)c1 452717480 LEWAQVVODHWFEZ-UHFFFAOYSA-N 248.326 2.565 30 20 BFED C=C(C)C[C@H](C)C(=O)NCc1cnc(C2CC2)o1 456765994 SLUKACCSEGDGJO-JTQLQIEISA-N 248.326 2.771 30 20 BFED C#C[C@@H](C)N(C)Cc1csc(C(C)(C)C)n1 491801596 DAPPNHOVPPTXIU-SNVBAGLBSA-N 236.384 2.894 30 20 BFED C=CCCc1noc([C@@H]2[C@@H](C)[C@@H]2C2CC2)n1 528204689 AXGDINXHZGGFQL-XXILOJSOSA-N 218.300 2.948 30 20 BFED COc1ccc(Cn2cc(C)c(C#N)c2)cc1F 531832954 UQPMGSIVVFCTHX-UHFFFAOYSA-N 244.269 2.864 30 20 BFED C=CCN(C)C(=O)Nc1cccc2cc[nH]c12 547994949 GKSBQWDTXGQRJH-UHFFFAOYSA-N 229.283 2.818 30 20 BFED C=CCCCCN1C(=O)C[C@@](C)(C(C)C)C1=O 557246334 WVUZBRKVRXVKCH-AWEZNQCLSA-N 237.343 2.764 30 20 BFED C=C(C)Cn1c(CC)nnc1N1C[C@@H](C)C[C@@H]1C 562264421 WIYYCIRGRGFTPO-RYUDHWBXSA-N 248.374 2.651 30 20 BFED C=CCCCCN1CCC[C@@H](CCO)CC1 563856110 QHCSDJRKOPNDCX-CQSZACIVSA-N 225.376 2.827 30 20 BFED CN(C(=O)NCC1(C#N)CC1)[C@H]1CCC(C)(C)C1 564050139 NQSHMMKIGKQCQR-NSHDSACASA-N 249.358 2.510 30 20 BFED C[C@H]1C[C@H]1CN1CCC(CCC#N)CC1 572644650 IHLRCPSGQWOAIA-AAEUAGOBSA-N 206.333 2.658 30 20 BFED C=CC1CCN(Cc2ccc3c(n2)CCC3)CC1 574255195 FCNFZAVTBANNNQ-UHFFFAOYSA-N 242.366 2.968 30 20 BFED Cc1ncsc1/C=C\c1ccncc1C#N 576893373 WSQFBNUEWOWSCS-IHWYPQMZSA-N 227.292 2.889 30 20 BFED C=CC(C)(C)CNCC1(O)CCC(C)CC1 582481862 JWKLBDZLESNDQT-UHFFFAOYSA-N 225.376 2.729 30 20 BFED C[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)C1CC1 590624728 RWVDWLPMXXBFHU-IAQYHMDHSA-N 246.354 2.623 30 20 BFED CCC1CCC(CNc2c(C#N)cnn2C)CC1 596087529 HBYBQQNNOIRMEP-UHFFFAOYSA-N 246.358 2.920 30 20 BFED Cc1ccc(C#N)nc1N[C@@H]1CS[C@H](C)C1 596272878 LSYCXYKEGPELDU-KOLCDFICSA-N 233.340 2.568 30 20 BFED Cc1cn(CCc2ccc(C#N)cc2)c(C)n1 601081346 VWNFAEDSYSHFRM-UHFFFAOYSA-N 225.295 2.614 30 20 BFED CCC[C@@H](CCO)Nc1nc(C)cc(C)c1C#N 601211498 DJISTFSTORXLID-LBPRGKRZSA-N 247.342 2.533 30 20 BFED Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)o1 601304505 PQXCDQSQMKZNQX-VXGBXAGGSA-N 218.300 2.760 30 20 BFED CC1(C)CC[C@H](NCc2cccc(C#N)n2)C1 602575744 JEOGXURQSYVBKQ-NSHDSACASA-N 229.327 2.622 30 20 BFED C[C@@H](C#N)CNCC(C)(C)Oc1ccccc1 602608678 VNLWAGCPFZBNEJ-LBPRGKRZSA-N 232.327 2.593 30 20 BFED Cc1ccc(F)cc1C(=O)N[C@@H](C#N)CC(C)C 611250516 KGCYHQUULFKIGJ-GFCCVEGCSA-N 248.301 2.802 30 20 BFED C=CC[C@H]1CCCN(C(=O)NCC(C)C)C1 656544122 KCURCNBNFCXDQL-LBPRGKRZSA-N 224.348 2.640 30 20 BFED C=C[C@@H](C(=O)O)N(C)CCCC(CC)CC 659802551 RIZMMQZDUZKNHU-LBPRGKRZSA-N 227.348 2.774 30 20 BFED C=CC[C@H]1CCCN(Cc2nnc(C3CC3)o2)C1 661378553 IWXZTXPOJIFVAI-NSHDSACASA-N 247.342 2.735 30 20 BFED C=CCCCCN(C)Cc1nnc(C)s1 662257460 STXWEXYOYKGUES-UHFFFAOYSA-N 225.361 2.635 30 20 BFED C=CCCCCCNc1nc2ccccn2n1 664073130 CFJVYNTWBYTMCT-UHFFFAOYSA-N 230.315 2.888 30 20 BFED Cc1cc(N2C[C@H]3CCCC[C@H]32)c(C#N)cn1 706929703 RUHDHSXDIDFZQK-DGCLKSJQSA-N 227.311 2.641 30 20 BFED C=CCC1(NCCOC2CC2)CCCC1 711788221 VVUDMVBYEPNPSA-UHFFFAOYSA-N 209.333 2.644 30 20 BFED C=C(C)CCN[C@H]1CCC[C@H](OCC)C1 721254132 KQJFABXOTWDQBQ-STQMWFEESA-N 211.349 2.890 30 20 BFED C#CCCOC(=O)c1cccc(Cl)c1 727041588 WBFDZQQECNPPPW-UHFFFAOYSA-N 208.644 2.520 30 20 BFED C=C(Cl)COC(=O)CO[C@H]1CCC[C@H](C)C1 733027441 OVYREAIYNPVRFS-ONGXEEELSA-N 246.734 2.877 30 20 BFED C=CC[C@H](C)C(C)=NNc1ccnc(N(C)C)n1 739418347 NUEMOJGBZSHZOZ-JTQLQIEISA-N 247.346 2.543 30 20 BFED CC(=NNCCCc1ccccc1)[C@H]1CCOC1 741764205 BNFZFYSRPNDDLM-HNNXBMFYSA-N 246.354 2.621 30 20 BFED C#CCN(CC#CC)C(=O)C[C@@H](CC)C(C)C 742003986 LZFFICMIXBIVQA-CQSZACIVSA-N 233.355 2.544 30 20 BFED C=CCOCCCC(=O)NC[C@H](C)C(C)(C)C 742677494 RLWXEPVJCZDFTC-LBPRGKRZSA-N 241.375 2.768 30 20 BFED CC[C@@H](C)C(C)=NNc1nc(C)cc(OC)n1 747632640 OHCSGUPBJWLNFL-MRVPVSSYSA-N 236.319 2.628 30 20 BFED COc1ccc(NN=Cc2cccc(O)c2)cc1 750920710 AUWHLSMUBBRMOC-UHFFFAOYSA-N 242.278 2.847 30 20 BFED C#CC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 754005225 VKIFMRCFBWPRDD-CABCVRRESA-N 241.334 2.537 30 20 BFED CC(C)N1CC(=NNc2cccc(F)c2)[C@H](C)C1 754258407 IDMJESACRJTRCH-LLVKDONJSA-N 249.333 2.954 30 20 BFED CCCCCC=NNc1ccc([N+](=O)[O-])cn1 755650722 WDUSBJCHJRYZOH-UHFFFAOYSA-N 236.275 2.968 30 20 BFED CCn1ccnc1C=NNc1cc(C)ccc1F 755773106 QKTVDKCIXLYFQU-UHFFFAOYSA-N 246.289 2.797 30 20 BFED C#CCCCC(=O)N[C@H](C(C)(C)C)C(F)(F)F 758496571 OONKZSBMPUBYSW-SNVBAGLBSA-N 249.276 2.883 30 20 BFED Cc1nc2c(s1)C(=NOCC(F)F)CCC2 758906886 NHHZKOWMQBEZMF-UHFFFAOYSA-N 246.282 2.774 30 20 BFED C/C=C\C(=O)Nc1cc(C#N)ccc1NCCC 759225321 YEMYUWUYVHLNFO-HYXAFXHYSA-N 243.310 2.895 30 20 BFED CC#CCCOC(=O)c1ccnc(C2CC2)c1 760274122 PBNYZEOBIMJTSI-UHFFFAOYSA-N 229.279 2.529 30 20 BFED C#CCCN1c2ccccc2N(C)CC[C@@H]1C 760863781 VJMDWDASVBGCJI-ZDUSSCGKSA-N 228.339 2.745 30 20 BFED CC(=NNc1cc(C)ccn1)c1sccc1O 769794920 YWQWKYIJMRTJKF-UHFFFAOYSA-N 247.323 2.993 30 20 BFED CC(=NOC1CCCC1)c1ccc(C(=O)O)o1 773079583 NKWWJWUWPPHPGL-UHFFFAOYSA-N 237.255 2.661 30 20 BFED C=C(CC)COC(=O)c1ccc(C)nc1 773484070 SDWHABRACRGQJC-UHFFFAOYSA-N 205.257 2.513 30 20 BFED CCc1ccnc(C(=O)OCCC(C)(C)C#N)c1 776399749 OCBABUKJRXINAR-UHFFFAOYSA-N 246.310 2.741 30 20 BFED CCn1ccnc1C=NOC1CCCCC1 777459210 MXFVNVFQCYMGTM-UHFFFAOYSA-N 221.304 2.586 30 20 BFED CC(=NNCCC(C)(C)C)[C@@H]1CCCO1 783860819 FRUUAESKCIHOHD-NSHDSACASA-N 212.337 2.567 30 20 BFED CC(C)[C@H](F)C(=O)Nc1sccc1C#N 784016038 LDNLEHLXXIWLMU-QMMMGPOBSA-N 226.276 2.552 30 20 BFED C=C(C)[C@H]1OCC[C@H]1C(=O)O[C@H]1CC[C@@H](C)C1 784671929 PAHRXXTUTKLPMB-YVECIDJPSA-N 238.327 2.699 30 20 BFED CC(C)=CC(=O)N[C@H]1CCc2cc(C#N)ccc21 785553321 QBERKHMUDNNPAD-AWEZNQCLSA-N 240.306 2.628 30 20 BFED CCCCNN=Cc1nccn1-c1ccccc1 790158794 WLTKWJJTTIADRU-UHFFFAOYSA-N 242.326 2.596 30 20 BFED C#C[C@H](CCC)NC(=O)N[C@H](C)CCCC=C 791036644 WCLKINYZHLGONI-CHWSQXEVSA-N 236.359 2.832 30 20 BFED Cc1ncc(C=NN[C@H](C)C(C)(C)C)s1 793112712 VIPRVISKUXBYLM-MRVPVSSYSA-N 225.361 2.810 30 20 BFED CC[C@H](C)CON=Cc1cnc([C@H](C)O)s1 793163441 KMXRUVHHDCBOPT-IUCAKERBSA-N 242.344 2.593 30 20 BFED CC(COC(C)C)=NNc1cccc(Cl)n1 793181441 RAHOTGBMAMDSJQ-UHFFFAOYSA-N 241.722 2.948 30 20 BFED C[C@H]1CCCC(=NNc2ncncc2F)[C@@H]1C 793214779 PFHJOXLRXGTNGP-DTWKUNHWSA-N 236.294 2.840 30 20 BFED CCCCC(CC)=NN(C)CCOC 794970707 OOUMVOPTUPCWPB-UHFFFAOYSA-N 200.326 2.521 30 20 BFED CCCc1cccc(C=NNc2cncnc2)c1 794978795 RWQAYBVZIBNUPJ-UHFFFAOYSA-N 240.310 2.875 30 20 BFED C=CCNN=C1c2cccc(F)c2CC[C@@H]1C 794999473 GNMIQGDACWCLLK-JTQLQIEISA-N 232.302 2.888 30 20 BFED C#CCOC(=O)CC1CC(c2ccccc2)C1 798733988 CYVLMORYFWYDTP-UHFFFAOYSA-N 228.291 2.747 30 20 BFED Cc1ccc(C(=O)N2C[C@H](C)C[C@H]2C)cc1C#N 799637172 FHTWTKGSDZFAET-ZYHUDNBSSA-N 242.322 2.737 30 20 BFED C#C[C@@H](CC)OC(=O)c1cccc2oc(C)nc12 805918258 NBASGALFTQYUKN-JTQLQIEISA-N 243.262 2.705 30 20 BFED C=CCCCCOC(=O)C[C@H]1CCCOC1 811012108 XWWCVIUOCOHZGH-GFCCVEGCSA-N 226.316 2.703 30 20 BFED CCON=C1CCN(Cc2ccccc2)[C@@H]1C 811636662 IVDZXPMCIJUDBU-GFCCVEGCSA-N 232.327 2.673 30 20 BFED C#C[C@H](C)N(C)C(=O)NC[C@@H](CC)CCCC 811990599 ZXLAUPHQCYVCSW-STQMWFEESA-N 238.375 2.866 30 20 BFED N#CCCCOC(=O)[C@@H]1CC2CCC1CC2 814494516 JUMCXJWOKUTFCI-HTAVTVPLSA-N 221.300 2.660 30 20 BFED Cc1cc(C)nc(NN=C2CC[C@H]2C2CC2)n1 814681504 PHVWRCXHWKWXTL-NSHDSACASA-N 230.315 2.681 30 20 BFED c1ccc(C2CC(=NN[C@@H]3CCCOC3)C2)cc1 814908820 UETQXHWABVHFTJ-ARLHGKGLSA-N 244.338 2.689 30 20 BFED CC[C@H](C)NN=Cc1cccc(O)c1Cl 814913690 SUMFNUZHPPPUFQ-QMMMGPOBSA-N 226.707 2.768 30 20 BFED Clc1cnc(C=NNCC2CCCC2)s1 814933601 UBADHELDMWCRRK-UHFFFAOYSA-N 243.763 2.910 30 20 BFED Cc1ccoc1COC(=O)c1ccc(C#N)s1 816102363 FYBXMFCZSFWZIF-UHFFFAOYSA-N 247.275 2.878 30 20 BFED C=C(CC)COc1ccc(-c2nn[nH]n2)cc1C 823878013 MGNCOLRMOSCFCS-UHFFFAOYSA-N 244.298 2.520 30 20 BFED C#CCCCNCc1ccc(C)cc1OC 823949229 DMHQAWYRAGBBDM-UHFFFAOYSA-N 217.312 2.507 30 20 BFED C#Cc1cccc(CN[C@@H](CCCC)COC)c1 825226312 FXJUSLLCUIVHBU-INIZCTEOSA-N 245.366 2.963 30 20 BFED C=CCCC[C@@H](C)NC(=O)[C@@H](O)CCCCC 828563929 JNPJBDKKIFTBOW-OLZOCXBDSA-N 241.375 2.789 30 20 BFED COc1cccc(C)c1C=NOCC(F)F 834968294 HHILLERYWZWNTQ-UHFFFAOYSA-N 229.226 2.619 30 20 BFED CC[C@H](O)CNN=C1CC[C@@H](CCC(C)C)C1 834980146 PKPGOCDWPIWDFB-OCCSQVGLSA-N 240.391 2.939 30 20 BFED C=CCC[C@@H](C)OC(=O)c1ccsn1 835268540 SOCZJIZXRPATOP-MRVPVSSYSA-N 211.286 2.655 30 20 BFED C=CC(C)(C)COC(=O)[C@H]1CCC(=O)[C@H](C)C1 835722968 KYNUXUGAMLBZLF-MNOVXSKESA-N 238.327 2.747 30 20 BFED C=CC(C)(C)COC(=O)COC1(C)CCC1 835724060 FCSRTHQXVZWNDH-UHFFFAOYSA-N 226.316 2.701 30 20 BFED C#Cc1cccc(NC(=O)N[C@@H]2C[C@H]2C(C)C)c1 838761355 PSRYKLKVZGCWMT-UONOGXRCSA-N 242.322 2.834 30 20 BFED C#CCC[C@H](C)OC(=O)COC1CCCCC1 839033624 GOUQXDDKTKPGMP-LBPRGKRZSA-N 238.327 2.681 30 20 BFED CC(C)CC[C@@H]1CCC(=NN(C)[C@H](C)CO)C1 842538241 IWFQPEJZRUAMRB-CHWSQXEVSA-N 240.391 2.891 30 20 BFED C=C[C@@H](C)ON=C(C)c1ccc(O)cc1 844624690 ZBZYXBKXQCDPLP-SECBINFHSA-N 205.257 2.707 30 20 BFED C=C[C@H](C)ONC(=O)N1CCc2cc(C)ccc21 845619229 DZVDWMQMIYCACL-NSHDSACASA-N 246.310 2.573 30 20 BFED C=C(C)CONC(=O)c1ccc2c(c1)CCC=C2 846535097 PKRCHTRCMHJYQY-UHFFFAOYSA-N 243.306 2.884 30 20 BFED C/N=C(/NC)NCC[C@@H]1C[C@H](C)CC(C)(C)C1 849105020 AFLXLKOXFMFHGV-NWDGAFQWSA-N 239.407 2.634 30 20 BFED N#C[C@]1(C(=O)OCC2CC=CC2)CC12CCCC2 849790716 FOIPHKHIROFZQS-HNNXBMFYSA-N 245.322 2.970 30 20 BFED C#C[C@@](C)(CC)NCc1csc(CCC)n1 852098529 PPXGMDVFKFTOTP-ZDUSSCGKSA-N 236.384 2.987 30 20 BFED C#CCOCCSc1ccccc1C 853016742 OSJAOXPKLPUKSQ-UHFFFAOYSA-N 206.310 2.737 30 20 BFED C=C[C@@H](C)ONC(=O)[C@@](C)(F)CCCC 855027263 DINTZZFLELGYNO-KOLCDFICSA-N 217.284 2.527 30 20 BFED C#C[C@H](C)N(C)C(=O)OCc1ccccc1C 859135705 MTHFXVWKCFZMEU-LBPRGKRZSA-N 231.295 2.585 30 20 BFED C=CCN(Cc1cnc(C2CC2)o1)C(C)C 862223636 KEKNJMZVEHGBRZ-UHFFFAOYSA-N 220.316 2.948 30 20 BFED CCCCC[C@@H](C)CC(=O)Nc1c[nH]nc1C#N 875845004 BAMNBXWUNRGLQP-SNVBAGLBSA-N 248.330 2.826 30 20 BFED C=CC(C)(C)CC(=O)N1C[C@H](CC)OC[C@H]1C 880537300 SWWYJKYYKJXUDY-NEPJUHHUSA-N 239.359 2.615 30 20 BFED C=CC1(OC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 893365665 OPAUVEBHDGYFEG-UHFFFAOYSA-N 234.299 2.583 30 20 BFED C=C1CCN(C(=O)NCC2(C3CC3)CC2)CC1 893807469 QFGJIGCPGWBXJE-UHFFFAOYSA-N 234.343 2.538 30 20 BFED C=CCC(C)(C)CNc1cccc2nncn12 893973054 NDRKIWQHHRYRDN-UHFFFAOYSA-N 230.315 2.744 30 20 BFED C=C1CCN(Cc2cc(C)cc(OC)c2O)CC1 894006318 SPQXOOKOIXUAJG-UHFFFAOYSA-N 247.338 2.861 30 20 BFED CC[C@@H](C)CCC(=O)Nc1ncc(C#N)s1 896489078 MAONIVRKHTZFML-MRVPVSSYSA-N 237.328 2.780 30 20 BFED CC(C)[C@@H](NC[C@H](C)CCC#N)c1cnn(C)c1 897082138 RCKXCBMTMJQHEY-TZMCWYRMSA-N 248.374 2.647 30 20 BFED C#CCCCCCCNCc1cc(C(=O)O)co1 901953104 XZRQCJZCJQCTGX-UHFFFAOYSA-N 249.310 2.651 30 20 BFED N#Cc1cc(-c2cn3c(n2)CCCC3)ccc1F 906173131 ZCYIBMSRVDNRMT-UHFFFAOYSA-N 241.269 2.897 30 20 BFED C[C@@H]1CCCN(C(=O)c2ccsc2C#N)CC1 906444540 AKECRXNLLSDNAS-SNVBAGLBSA-N 248.351 2.882 30 20 BFED CCCCN[C@H]1CCc2cc(C#N)ccc21 906528307 XTROPFQJZCAZNQ-AWEZNQCLSA-N 214.312 2.935 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C)=C(C)C1 907928989 AUXGKKUQSRZAKS-KBPBESRZSA-N 249.354 2.536 30 20 BFED C=CCN(C(=O)c1c(CC)noc1C)C(C)C 915153163 DJDOHWIKHGKJCI-UHFFFAOYSA-N 236.315 2.582 30 20 BFED C=C[C@@H](CC)CC(=O)NCC(=C)Br 930792995 IDFVVTJEEXJIFL-VIFPVBQESA-N 246.148 2.614 30 20 BFED Cc1cc(C(=O)O[C@H](C)C#N)nc2ccccc12 1115882957 LYHWYBRXTDVUEH-SNVBAGLBSA-N 240.262 2.612 30 20 BFED C=CCCO[C@@H](C)C(=O)N(CC)C(C)(C)C 1117926082 HZAQCRWMVMWJPJ-NSHDSACASA-N 227.348 2.615 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)[C@@H]1CCCC1(C)C 1121252651 FRLZPERSIZHYMA-RYUDHWBXSA-N 236.359 2.963 30 20 BFED Cc1csc(NC(=O)c2ccsc2C#N)n1 1124361328 VSEXFSVXMYZZAS-UHFFFAOYSA-N 249.320 2.637 30 20 BFED Cc1nnc([C@@H](C)Cc2ccc(C#N)cc2)o1 1261571701 KQLDNUQDMDWNQU-VIFPVBQESA-N 227.267 2.596 30 20 BFED C=C(C)CN(C)C(=O)c1occ(C)c1C 1261776185 HUVPPOXUQONSGO-UHFFFAOYSA-N 207.273 2.545 30 20 BFED Cc1cc(C#N)cc(NC(=O)[C@H](C)C2CCC2)n1 1262087734 OLQGSYJCVKPOBC-SNVBAGLBSA-N 243.310 2.636 30 20 BFED Cc1ccc(C=NNC(=S)NC(C)C)cc1C 1317851377 XSLWCZOOKPYXOL-UHFFFAOYSA-N 249.383 2.510 30 20 BFED C=CC[C@H](N[C@@H](C)CC1CCC1)C(=O)OCC 1320789150 SFDZHSNUOCCVDR-AAEUAGOBSA-N 239.359 2.663 30 20 BFED C=C(C)CCC(=O)Nc1cc(C)c(C#N)cn1 1338214891 MZFFSWMRYXFXPD-UHFFFAOYSA-N 229.283 2.557 30 20 BFED C=C(CC)CNC(=O)N1CCC[C@@H]1CCC 1340312728 OSFLRWACJCKNKY-LBPRGKRZSA-N 224.348 2.927 30 20 BFED CCC1(C(=O)[C@H](C#N)c2cccc(F)n2)CC1 1342558956 RHPMWAXFPHHIGY-SECBINFHSA-N 232.258 2.587 30 20 BFED C=C[C@H](C(=O)N(C)C[C@H](C)C#N)c1ccccc1 1346303662 AJUQIDVERIMYKO-OCCSQVGLSA-N 242.322 2.574 30 20 BFED CC[C@H](C#N)N(CC)C(=O)[C@@H]1CCCC[C@H]1C 1349905533 DEVVWMFNUBLXQX-JHJVBQTASA-N 236.359 2.963 30 20 BFED COC(C)(C)CCNc1c(C#N)cccc1C#N 1351792183 ZIBBUFFRORXXFC-UHFFFAOYSA-N 243.310 2.657 30 20 BFED C=CCn1c(CCC)nnc1N(C)CCC1CC1 1355937913 RGKDPTWRULGHDJ-UHFFFAOYSA-N 248.374 2.653 30 20 BFED C=C(CC)C(=O)N1CC(C)(C)[C@H]1C(C)C 1520207834 QNTPSYSCAFNMQS-LLVKDONJSA-N 209.333 2.846 30 20 BFED C=C(CC)C(=O)Nc1ccc2c(C)nn(C)c2c1 1521606929 RWHYPZVPEOTFBI-UHFFFAOYSA-N 243.310 2.786 30 20 BFED C=C(CC)C(=O)N1C[C@H](C)OC2(CCCC2)C1 1521677003 NWQWWWWISWZITH-LBPRGKRZSA-N 237.343 2.513 30 20 BFED C=CCCCC(=O)OCC1(Br)CC1 1525784121 LXQPVNBGJBHLKW-UHFFFAOYSA-N 247.132 2.813 30 20 BFED C=CC(C)(C)C(=O)OCc1ccc2n[nH]cc2c1 1527008077 RQAFLYNVQXCIHO-UHFFFAOYSA-N 244.294 2.818 30 20 BFED CC1(C)CCc2c(OC[C@@H]3CO3)cccc2O1 1887504058 MYAFBHXECBBTQI-JTQLQIEISA-N 234.295 2.568 30 20 BFED N#CCCCOc1ccc(Cl)cc1[N+](=O)[O-] 19503416 HMZNKMRLDAEDDA-UHFFFAOYSA-N 240.646 2.931 30 20 BFED C[C@@H](NC(=O)C(C)(C)C)c1ccc(C#N)cc1 26127465 OZDHTNHCYQCQQU-SNVBAGLBSA-N 230.311 2.782 30 20 BFED CC[C@H](CC#N)NCc1ccc(C)cc1 36679965 RAHGTFZHIOXFNW-CYBMUJFWSA-N 202.301 2.777 30 20 BFED N#Cc1ccc(N[C@@H]2CCC[C@H]2O)cc1Cl 37690095 XRRPJQOTCZCFOR-VXGBXAGGSA-N 236.702 2.537 30 20 BFED N#CCCNc1nnc(-c2ccccc2)s1 39235051 ZLDMFBJQCYJSCA-UHFFFAOYSA-N 230.296 2.531 30 20 BFED CC(C)N(CCC#N)Cc1cccc(C(=O)O)c1 42529404 DSMYNJSHKIDVBS-UHFFFAOYSA-N 246.310 2.509 30 20 BFED CC[C@@H](C#N)C(=O)N(CC)c1cccc(C)c1 44823957 MDQWFJYDNSBZNW-LBPRGKRZSA-N 230.311 2.898 30 20 BFED CCN(CC)c1ccc(CNC[C@@H](C)C#N)cc1 54179809 JEPVXAINUASQIR-ZDUSSCGKSA-N 245.370 2.782 30 20 BFED C[C@H]1CCCC[C@@H]1N(C)c1ccc(C#N)cn1 55387537 MVEFNRXULPXWOS-AAEUAGOBSA-N 229.327 2.968 30 20 BFED C=C(C)CN(CC)C(=O)[C@H](C)Oc1ccccc1 57157960 KFFGSNWKWHTIRN-ZDUSSCGKSA-N 247.338 2.879 30 20 BFED C[C@@H](CCNC(=O)C(C)(C)C#N)c1ccccc1 60393941 HAMGILMPCUXUEZ-LBPRGKRZSA-N 244.338 2.846 30 20 BFED C#CCN1CCC[C@H]1c1ccc(OCC)cc1 61801944 VZQRTRCZEZNGJZ-HNNXBMFYSA-N 229.323 2.855 30 20 BFED CC(C)CCCNC(=O)C1(C#N)CCCC1 63240324 ZHAIBDWWEMINHD-UHFFFAOYSA-N 222.332 2.623 30 20 BFED C=CCSc1nnc(NCC(C)C)s1 69451322 OWIGQPJKVLSZGC-UHFFFAOYSA-N 229.374 2.884 30 20 BFED CCN(CC1CC1)C(=O)Nc1cccc(C#N)c1 69913763 GEVCXHKQPIOKCY-UHFFFAOYSA-N 243.310 2.822 30 20 BFED CC[C@@H](CC#N)N[C@@H](C)Cc1cccs1 70851506 UTWPMGCFUUCBJB-QWRGUYRKSA-N 222.357 2.961 30 20 BFED CC(C)(C)CNC(=O)Nc1ccc(F)c(C#N)c1 77500415 JRTAMWDKBAJNIN-UHFFFAOYSA-N 249.289 2.865 30 20 BFED CN(CCC#N)[C@@H]1CCCN(c2ccccc2)C1 81014670 CZEDMXWBXGMEIS-OAHLLOKOSA-N 243.354 2.501 30 20 BFED CCCN(CCC)c1cccc(C#N)n1 81615792 LMYJIWIPXYEMKQ-UHFFFAOYSA-N 203.289 2.580 30 20 BFED N#CCC1(CNCc2ccc(F)cc2)CC1 83853635 RUQVVBILYOGGCN-UHFFFAOYSA-N 218.275 2.609 30 20 BFED CC[C@H]1CCC[C@@H](Nc2nccnc2C#N)C1 85066455 AWVFVGGHGABJMJ-WDEREUQCSA-N 230.315 2.729 30 20 BFED Cc1noc(C)c1[C@@H](C)NCCCCC#N 86110483 QJIVRSQPBRXOKN-SECBINFHSA-N 221.304 2.636 30 20 BFED CCN(Cc1ccc(OC)c(C#N)c1)CC1CC1 87833425 FCGVANABUOPMFZ-UHFFFAOYSA-N 244.338 2.799 30 20 BFED CCc1nn(C)cc1NCc1cc(C#N)cs1 91070422 HCXCLMHVADPYGZ-UHFFFAOYSA-N 246.339 2.528 30 20 BFED C=C(C)CCOC(=O)c1cnn(C(C)C)c1C 92715488 GYDPHNFYUNWKTQ-UHFFFAOYSA-N 236.315 2.895 30 20 BFED C=C(C)CN(CC)C(=O)[C@H](C)c1c(C)n[nH]c1C 110052065 PFLJXFCUFZBKPD-SNVBAGLBSA-N 249.358 2.555 30 20 BFED Cc1ccoc1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 116810075 QBXVEQFACWLTFO-QMTHXVAHSA-N 246.310 2.790 30 20 BFED N#CCN[C@H]1CCCC[C@H]1Cc1ccccc1 119064959 HRLZEGGHNYQJKI-GJZGRUSLSA-N 228.339 2.901 30 20 BFED C#CCCCCC(=O)Nc1ccnn1CCCC 119851819 QLIDUPKJHIPKQE-UHFFFAOYSA-N 247.342 2.815 30 20 BFED C=CC[C@H](C)NC(=O)Cc1ccc(CC)cc1 121337934 RASYSDRWLZJRDL-LBPRGKRZSA-N 231.339 2.872 30 20 BFED Cc1nsc(N[C@@H]2CC[C@H](C)C2)c1C#N 128100709 MYMBPQWDGDERBO-IONNQARKSA-N 221.329 2.924 30 20 BFED C[C@@H]1CC[C@H](Nc2cnccc2C#N)C1 129206642 OLCWZBJVBKNTED-KOLCDFICSA-N 201.273 2.554 30 20 BFED COc1cc(C#N)ccc1NC(=O)[C@@H](C)C(C)C 130197797 BRTVCPDFYXGOOO-JTQLQIEISA-N 246.310 2.797 30 20 BFED CC[C@H](CC#N)NC(=O)c1cccc(C)c1F 130755835 ZVUWFYAIXRNSIP-SNVBAGLBSA-N 234.274 2.556 30 20 BFED CCN(CCC#N)C(=O)[C@@H](C)c1cccs1 133409964 YDUPBUJBYJXGLX-JTQLQIEISA-N 236.340 2.614 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1ccc(CCO)cc1 135137441 ARIXQKJNOIJDLD-OAHLLOKOSA-N 247.338 2.762 30 20 BFED CC(C)(CO)CNc1c(Cl)cccc1C#N 135598655 DYVPJTIPFROHKH-UHFFFAOYSA-N 238.718 2.642 30 20 BFED CCCCCCCCNC(=O)c1ccncn1 142023904 OBQDDXNMRXNHPL-UHFFFAOYSA-N 235.331 2.567 30 20 BFED C=CCCSCC(=O)NCc1ccc(C)cc1 151960191 OZJSTIKAFDVCBP-UHFFFAOYSA-N 249.379 2.921 30 20 BFED CCCCCCCCCN(C)C(=O)[C@@H](C)N 155300676 OAVHQHPXDYLTER-GFCCVEGCSA-N 228.380 2.543 30 20 BFED C=C(C)CNC(=O)N1CCC[C@@H](CCC)C1 156367725 AFZFQMGWYPRLSZ-GFCCVEGCSA-N 224.348 2.784 30 20 BFED CC#CCNc1ncnc2sc3c(c12)CCC3 159156847 FXBBDJFLFHYDSL-UHFFFAOYSA-N 243.335 2.615 30 20 BFED CCCCCCCCNc1ccc(C(N)=O)cn1 161079616 GXZNODMVIRDVSR-UHFFFAOYSA-N 249.358 2.953 30 20 BFED C=CCCNC(=O)c1ccc(Cl)c(C)c1 162281310 XVJWFLHTBMEOJQ-UHFFFAOYSA-N 223.703 2.954 30 20 BFED C=CCCC(=O)N1CC[C@H](C)C[C@H](C)C1 163240226 DJFNGTFWPMYZHT-RYUDHWBXSA-N 209.333 2.847 30 20 BFED C#CCN(CC)C(=O)[C@H](CC)c1ccccc1 164843806 VUPNVOVJTCPNMR-CQSZACIVSA-N 229.323 2.662 30 20 BFED CC#CCCNC(=O)c1cc2ccccc2o1 166238416 QZZLOSOAZTXWJQ-UHFFFAOYSA-N 227.263 2.576 30 20 BFED CC(C)(C#N)CCCN1C[C@H]2[C@H](C1)C2(C)C 174875876 ZCOLSILFVGMXAI-RYUDHWBXSA-N 220.360 2.904 30 20 BFED C=C(C)CN(C)Cc1csc([C@H](C)OC)n1 177474907 CUZALXZRJRREIC-JTQLQIEISA-N 240.372 2.858 30 20 BFED C=C(C)Cn1nc(C(C)(C)C)c(CCC#N)c1O 179914991 NNEDWENHGJRLJA-UHFFFAOYSA-N 247.342 2.918 30 20 BFED C[C@@H]1CN(CCCC#N)[C@H]2CCCC[C@H]12 182488989 AJMVKSGPVZSJCP-UPJWGTAASA-N 206.333 2.801 30 20 BFED C=CCCC(=O)Nc1cc(F)ccc1C(C)=O 184851041 RNKAINZSQVYKAL-UHFFFAOYSA-N 235.258 2.933 30 20 BFED C#C[C@@H](C)NC(=O)CCc1ccc(C(C)C)cc1 186014954 IVFFTCMXLQNTKH-CYBMUJFWSA-N 243.350 2.881 30 20 BFED C=C[C@](C)(CC)C(=O)NCCOCCC(C)C 191132857 WNLREKFTEVTYBI-CQSZACIVSA-N 241.375 2.768 30 20 BFED C#CCCCC(=O)N(CC)CCc1ccccc1 192142888 FINNERYXRHGZCX-UHFFFAOYSA-N 243.350 2.881 30 20 BFED C#CCN(C)CCCSCc1ccccc1 192221382 MMODGCUZRYLVMD-UHFFFAOYSA-N 233.380 2.875 30 20 BFED CCC[C@@H]1CCCCN1C(=O)[C@@H](C#N)CC 213414751 NXSLNNMUKFGAMR-VXGBXAGGSA-N 222.332 2.717 30 20 BFED N#Cc1cccc(CSc2ncccn2)c1F 219761397 XTZQCJLPGSPZPC-UHFFFAOYSA-N 245.282 2.780 30 20 BFED C#CCSCCN[C@H]1CCc2c(F)cccc21 222110128 GNDQOVICFSFBHD-AWEZNQCLSA-N 249.354 2.769 30 20 BFED C#C[C@@H](CC)NC[C@@H](C)c1ccccc1 229554409 PVYVVVXNYDWRCN-OCCSQVGLSA-N 201.313 2.792 30 20 BFED N#Cc1ccc(F)c(CSc2ncc[nH]2)c1 231165353 PMBYUWZFKZDVPT-UHFFFAOYSA-N 233.271 2.713 30 20 BFED C=CCCOCCN[C@@H](C)Cc1ccc(O)cc1 231799229 ZFLDEUGVPZPPBG-ZDUSSCGKSA-N 249.354 2.506 30 20 BFED Cc1ccc(C#N)cc1NC(=O)[C@@H]1[C@H]2CCC[C@H]21 248332652 FKHOABPDSOBCIJ-IMRBUKKESA-N 240.306 2.851 30 20 BFED N#C[C@@H]1CCCN(C[C@@H]2C[C@H]3CC[C@H]2C3)C1 251291201 NREOOIPRCAUXGT-XUXIUFHCSA-N 218.344 2.658 30 20 BFED CSc1ccc(CNCCCC#N)cc1 258926218 OLLQDUDANYSUAL-UHFFFAOYSA-N 220.341 2.802 30 20 BFED Cc1ccsc1C(=O)N1CCC[C@H](CC#N)C1 259725198 FDGYVIBHIHUCOH-LLVKDONJSA-N 248.351 2.822 30 20 BFED CC(C(=O)N[C@H](C#N)C(C)C)=C1CCCC1 267860970 OEVVJRYHTAGYHJ-GFCCVEGCSA-N 220.316 2.541 30 20 BFED C#CCCN[C@H](C[C@@H]1CCOC1)c1ccccc1 271764818 GZFKMLOVFOJHSH-GOEBONIOSA-N 243.350 2.767 30 20 BFED CC(C)(C)[C@@](C)(C#N)NC(=O)[C@H]1CC=CCC1 272382932 FHYIPKLGNPQSCE-SMDDNHRTSA-N 234.343 2.787 30 20 BFED C=C(C)CCNc1ccc(C(=O)NC2CC2)cc1 288631119 BBNHCHQAZYXYKM-UHFFFAOYSA-N 244.338 2.957 30 20 BFED CCC(CC)(CNCc1cccc(C#N)c1)OC 291772588 TVCPENLRGYSKKQ-UHFFFAOYSA-N 246.354 2.853 30 20 BFED CC(C)=CCC[C@@H](C)NC(=O)CCCC#N 295675247 SBKVFYFFDQAPPD-GFCCVEGCSA-N 222.332 2.931 30 20 BFED C#C[C@@H](NC(=O)[C@H](CC)CCCC)C(C)C 300867719 HGSOPIBEDHYTLY-CHWSQXEVSA-N 223.360 2.977 30 20 BFED Cc1nc(CNc2cccc(C#N)n2)sc1C 301871003 WQBNGILMIIRLTG-UHFFFAOYSA-N 244.323 2.639 30 20 BFED CC(C)CC1(CNc2ccc(C#N)nn2)CC1 301974665 VMBHZVMWPHQCAN-UHFFFAOYSA-N 230.315 2.586 30 20 BFED C#CC/N=C(\N)Nc1ccc([C@@H](C)CC)cc1 303787246 SIQDVKBMWNNNDI-NSHDSACASA-N 229.327 2.560 30 20 BFED CC[C@]1(C=O)CCCCN1C(=O)OC(C)(C)C 307248269 FBJHDXKMKIHJMI-CYBMUJFWSA-N 241.331 2.755 30 20 BFED Cc1cc(C#N)cc(NCC2=CCCOC2)c1 308122990 QKIOFWSRQOQRTK-UHFFFAOYSA-N 228.295 2.625 30 20 BFED Cc1nc(C#N)cc(N[C@H](C)CC(C)(C)C)n1 308254183 HXSLMNHTFJFBNC-SECBINFHSA-N 232.331 2.893 30 20 BFED 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20 BFED C#CCOC(=O)[C@]1(c2ccccc2)CC1(C)C 850291034 AUUSCXJGEDEFIO-OAHLLOKOSA-N 228.291 2.531 30 20 BFED C=CC(C)(C)COC(=O)c1cc(CC)cnc1O 851063636 FTJFPCRIRLNYSM-UHFFFAOYSA-N 249.310 2.719 30 20 BFED C=CCCC[C@H](C)NC(=O)N[C@H]1C=CCC1 852241855 NFWLYDBPEBQZRT-RYUDHWBXSA-N 222.332 2.749 30 20 BFED C=CCCNC(=O)c1ccc2c(c1)CC(C)(C)O2 855381025 QGLZHZKPFLUOAI-UHFFFAOYSA-N 245.322 2.706 30 20 BFED C[C@H](CNC[C@@H](O)CC(C)(C)C#N)C(C)(C)C 857235155 ZQGXTEAPTKKPIA-NEPJUHHUSA-N 240.391 2.559 30 20 BFED C=CCN(C(=O)c1cccc(OC)n1)C(C)(C)C 857650897 LEQYGIGDFVLQSG-UHFFFAOYSA-N 248.326 2.517 30 20 BFED CCCCCCCNC(=O)NCc1ccncc1 858109264 SVORAFFXVMYMKK-UHFFFAOYSA-N 249.358 2.851 30 20 BFED C#CCCOC(=O)N(Cc1ccccc1)OCC 859184362 AGMTWJHUZNVUMI-UHFFFAOYSA-N 247.294 2.600 30 20 BFED C[C@@]1(C(=O)OCCCC#N)C[C@H]2CC[C@H]1C2 860187853 OFXDUWGRZAJROE-GMXVVIOVSA-N 221.300 2.660 30 20 BFED C=CCCCCNC(=O)c1[nH]c(C)c(C=O)c1C 860911268 OQQLTAFAYMLEBD-UHFFFAOYSA-N 248.326 2.530 30 20 BFED C=CCCC[C@H](C)Nc1ccc(F)nn1 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238.331 2.649 30 20 BFED C=C1CC(c2noc(-c3cc(OC)ccn3)n2)C1 896874719 UDAOSUKHEWQZCJ-UHFFFAOYSA-N 243.266 2.574 30 20 BFED C=C1CN(C(=O)C(C2CCC2)C2CCC2)C1 898703385 FFXXNRPCHRHYAT-UHFFFAOYSA-N 219.328 2.601 30 20 BFED C#CCCCCCCN1CCC[C@@]1(C)C(=O)O 902008397 ZZKQUNKKTKMBGO-AWEZNQCLSA-N 237.343 2.509 30 20 BFED C=CC[S@@](=O)[C@@H](C)c1cccs1 905164294 DARBKQDVBZISEG-QPUJVOFHSA-N 200.328 2.744 30 20 BFED C=CCCC(=O)[C@@H]1CCCN1C(=O)/C(=C\C)CC 908660914 QSKLVQLUGCDCBG-XLVZXTRVSA-N 249.354 2.869 30 20 BFED CN(c1ccccc1)c1ccccc1C(=O)NO 915829584 WHWGAFZJUKZYDG-UHFFFAOYSA-N 242.278 2.574 30 20 BFED N#Cc1ccccc1SCCOC1CC1 917104068 YONLJXSSODQNLR-UHFFFAOYSA-N 219.309 2.829 30 20 BFED C=C(CC)COC(=O)[C@H]1CCO[C@@H](C(C)C)C1 924312041 YNCFJUAKFVKJRD-QWHCGFSZSA-N 240.343 2.947 30 20 BFED N#C[C@@H]1CC[C@H](N2CCC(c3ncco3)CC2)C1 931445023 XUDQLTUTSTWRIB-YPMHNXCESA-N 245.326 2.546 30 20 BFED C=C1CN(C(=O)Nc2cccc(OC(C)C)c2)C1 931633847 LESDHWRZEZHHOQ-UHFFFAOYSA-N 246.310 2.878 30 20 BFED C=C(Br)CNC(C)(C)CSC 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20 BFED C=CCCCC(=O)O[C@H]1CCC[C@@H](C(=O)O)C1 1588782710 KXEAQJSPLKFZSL-MNOVXSKESA-N 240.299 2.529 30 20 BFED CC[C@@H]1CCN(c2cc(C)c(C#N)cn2)[C@@H]1C 1612278541 FVSDOOFZVHPWNH-VXGBXAGGSA-N 229.327 2.887 30 20 BFED N#CCCSc1nc2ccccc2o1 19847664 UMTKYUOKOWVCCI-UHFFFAOYSA-N 204.254 2.834 30 20 BFED N#Cc1ccc(/C=C\C(=O)c2cccnc2)cc1 33472174 ILHFBPUXQADJQV-FPLPWBNLSA-N 234.258 2.849 30 20 BFED Cc1cc(C#N)ccc1N1CCCCC1 37732860 NJMXGMIOZKINEC-UHFFFAOYSA-N 200.285 2.857 30 20 BFED CC(C)(C)CNCc1ccc(C#N)cc1 40492524 BCNNXMRWALBQSF-UHFFFAOYSA-N 202.301 2.694 30 20 BFED C=CCNC(=O)CCCc1ccc(Cl)cc1 40644451 FUCQKXDFVQJZKP-UHFFFAOYSA-N 237.730 2.965 30 20 BFED CC[C@@H](NC(=O)c1cccc(C#N)c1)C(C)C 42550713 IRQLHCVCCUPSRB-CYBMUJFWSA-N 230.311 2.723 30 20 BFED C=CCOc1ccccc1CN[C@H](C)COCC 44691147 UEVUXSAEXAMZOF-CYBMUJFWSA-N 249.354 2.766 30 20 BFED Cc1ccc(C2CC(NC[C@@H](C)C#N)C2)cc1 54180788 JKAPSMZUZQSMQW-GRTSSRMGSA-N 228.339 2.990 30 20 BFED CN(CC1CCCC1)C(=O)c1ccc(C#N)cc1 64088594 WMLAHTCERNTBTB-UHFFFAOYSA-N 242.322 2.820 30 20 BFED C=C(C)CN1CCO[C@@H](c2ccccc2F)C1 66846676 PKFCSTXETBXBOU-CQSZACIVSA-N 235.302 2.775 30 20 BFED C[C@H](CC#N)Sc1ccccc1NC(N)=O 66954501 UPFKJXSXFTUNAQ-MRVPVSSYSA-N 235.312 2.571 30 20 BFED CC[C@H](CC#N)N[C@H](C)Cc1cccs1 70851522 UTWPMGCFUUCBJB-GHMZBOCLSA-N 222.357 2.961 30 20 BFED C#CCOc1ccc(CN(CC=C)CC=C)cc1 77253159 YKHUBLDJQOBDSG-UHFFFAOYSA-N 241.334 2.873 30 20 BFED CC1(C)[C@H]2OCC[C@@H]2[C@H]1/N=C/c1ccccc1O 78052628 RZOZOBDALHXYCT-BISAFZERSA-N 245.322 2.625 30 20 BFED Cc1ccc(O)c(CN(CCC#N)CC2CC2)c1 93091532 RFFZFFHYGBTELB-UHFFFAOYSA-N 244.338 2.826 30 20 BFED C=CCCN1CCC[C@@H](c2nncn2C(C)C)C1 93201855 NJHNYMIJJMADDB-CYBMUJFWSA-N 248.374 2.615 30 20 BFED N#Cc1c(F)cccc1SC1CCOCC1 93409205 KVZPHVLDZWRPQY-UHFFFAOYSA-N 237.299 2.968 30 20 BFED CCCCCCCCN(C)[C@H]1CCNC1 109241448 CQLWZUGLSHPAPI-ZDUSSCGKSA-N 212.381 2.641 30 20 BFED C[C@@H](CC1CC1)NC(=O)Nc1ccc(C#N)cc1 112713155 MTSVQYOQUZGFBK-JTQLQIEISA-N 243.310 2.868 30 20 BFED C=CCCOC(=O)CO[C@H]1CCC[C@H](C)C1 112759189 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30 20 BFED CCC1CCN(C(=O)CC(C)(C)C#N)CC1 335316228 QGIHYFRDZLTSDK-UHFFFAOYSA-N 222.332 2.575 30 20 BFED N#Cc1cccc(C(=O)N[C@H]2CCC[C@H](F)C2)c1 335420145 UBCBSNYGEWAHQJ-STQMWFEESA-N 246.285 2.569 30 20 BFED C[C@@H](NCC#N)c1cc2cccc(F)c2o1 335603227 XGLHQSHILGQCCH-MRVPVSSYSA-N 218.231 2.746 30 20 BFED C=C(C)CNC(=O)N1CC[C@@H]1c1ccccc1 335793587 RQSLQCYJHXAETE-CYBMUJFWSA-N 230.311 2.719 30 20 BFED N#C[C@H]1CCC[C@H]1NCC1=CCCCC1 336230828 MIPINPNYECJPDI-CHWSQXEVSA-N 204.317 2.769 30 20 BFED C=C(C)COCCN[C@@H]1CS[C@@H](C(C)C)C1 336695900 YMLQFUWOADPTMW-QWHCGFSZSA-N 243.416 2.699 30 20 BFED C[C@@H]1N([C@H]2CC[C@H](C#N)C2)CCC12CCOCC2 339088521 DRSQVQQNLFRFJJ-IHRRRGAJSA-N 248.370 2.570 30 20 BFED C=CCC[C@H](O)CN1CC(C)(C)[C@@H]2CCC[C@@H]21 339712067 QCQKTIRTKYMRAI-MJBXVCDLSA-N 237.387 2.824 30 20 BFED CCC(CC)[C@H](C)C(=O)N(CC#N)C1CC1 341571898 FVWZZWKRJWUTSJ-JTQLQIEISA-N 222.332 2.573 30 20 BFED CC#CCCCC(=O)N(C)Cc1cccc(C)n1 343913057 XSWXMTFPFMUXKY-UHFFFAOYSA-N 244.338 2.542 30 20 BFED 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2.933 30 20 BFED CC#CCCN1CC[C@H]2CCCC[C@H]2C1 1320255767 YJVIWIZDHYUSLX-KGLIPLIRSA-N 205.345 2.912 30 20 BFED C=C[C@H](COC)NC(=O)[C@@H](C)CCCCCC 1320322672 SKIHXKPYQCTWNY-QWHCGFSZSA-N 241.375 2.910 30 20 BFED C=CCCC[C@@H](C)NC(=O)c1c[nH]nc1CCC 1321357012 DVNPHTIULFFNHK-LLVKDONJSA-N 249.358 2.837 30 20 BFED C#C[C@@H](NC(=O)N1CC2CCC1CC2)C(C)(C)C 1323426574 GTQRXBFETYNOSP-WXRRBKDZSA-N 248.370 2.618 30 20 BFED C=C(C)CCNC(=O)C1=C(CC)OCCC1 1325396998 MPLUENMWCOKHKC-UHFFFAOYSA-N 223.316 2.543 30 20 BFED CC(C)[C@@H]1C[C@H]1NC(=O)CC#Cc1ccccc1 1325815439 FLLPJWUVVDCZSL-LSDHHAIUSA-N 241.334 2.589 30 20 BFED C#CCN(CC#N)C[C@]1(C)C[C@H]1c1ccccc1 1334334120 ZLYXRXBAIGUVNJ-HOTGVXAUSA-N 238.334 2.639 30 20 BFED C=CC[C@H](NC[C@H](C)c1ccc(C)cc1)C(=O)O 1334778657 ZNOQIGJZMZFPRU-JSGCOSHPSA-N 247.338 2.717 30 20 BFED CC[C@@H](C)N(CC)C(=O)c1ccc(C#N)cc1F 1336015429 JGPOAPJPHVHNTD-SNVBAGLBSA-N 248.301 2.958 30 20 BFED Cc1ccc(Cl)cc1CNC(=O)C#CC1CC1 1337315540 TWGBZWDYXSRAQN-UHFFFAOYSA-N 247.725 2.678 30 20 BFED C#CC[C@@H](C)OC(=O)/C=C/C1CCCC1 1342633552 SBAHWUYZTSMWBZ-PBQZMEPESA-N 206.285 2.688 30 20 BFED C#CC[C@@H](C)OC(=O)c1cccc(OC)c1C 1344058349 KUISBEZLSHDUQR-SNVBAGLBSA-N 232.279 2.572 30 20 BFED Cc1cc(C=NNc2c(F)cccc2F)ncn1 1347600374 KAKVXCUQMSNAKF-UHFFFAOYSA-N 248.236 2.509 30 20 BFED C=C(CC)C(=O)N1CCC[C@@]2(CCSC2)C1 1348716294 JPGJLRWZAFPQSY-CYBMUJFWSA-N 239.384 2.698 30 20 BFED C=C(C)c1cccc(NC(=O)[C@H]2NCC2(C)C)c1 1573308445 VIMDPQUPUZCGDP-CYBMUJFWSA-N 244.338 2.656 30 20 BFED C=CC[C@]1(C(=O)O)CCCN(CCC(C)C)C1 1776153228 VAMSUUMWTWKSHE-AWEZNQCLSA-N 239.359 2.775 30 20 BFED C=CCCCCN(C)c1ccnc(C(=O)O)c1 1776173732 LPIHAQGWBZPZQV-UHFFFAOYSA-N 234.299 2.572 30 20 BFED C=CCN(CCCC1CCCC1)CCC(=O)O 1776178903 QYFSBIGANRPOFY-UHFFFAOYSA-N 239.359 2.920 30 20 BFED CC(C)c1noc(CNc2cccc(C#N)c2)n1 42471130 FZULUYXQCQGHRZ-UHFFFAOYSA-N 242.282 2.677 30 20 BFED CC[C@@H](C#N)C(=O)N(C)Cc1ccc(C)cc1 44813566 UKOAXGCWVVCGEM-ZDUSSCGKSA-N 230.311 2.503 30 20 BFED COCCSc1nc2c(cc1C#N)CCCC2 49942902 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2.792 30 20 BFED CSC[C@H]1CCCN1CCCCC#N 135427419 QABRUHJYWAXLIP-LLVKDONJSA-N 212.362 2.508 30 20 BFED Cc1ncsc1CNCc1ccc(C#N)s1 135499516 WLISVSPFFDWMLO-UHFFFAOYSA-N 249.364 2.675 30 20 BFED N#CC1CCN(CCc2ccccc2F)CC1 137581724 ZQBASQMMIHIXFO-UHFFFAOYSA-N 232.302 2.604 30 20 BFED C=C[C@@H](C)NC(=O)CCO[C@H](C)CC(C)C 154150193 YOVLHVDVKXVZNL-VXGBXAGGSA-N 227.348 2.518 30 20 BFED C#CCOc1cc(F)ccc1NC(=O)CCCC 155256870 KNDXKWQETNNSSY-UHFFFAOYSA-N 249.285 2.966 30 20 BFED C=C(C)CNC(=O)N[C@@H]1CCC[C@@H](CC)C1 156354368 KMHLOBNKSRZQSC-VXGBXAGGSA-N 224.348 2.831 30 20 BFED Cc1cc(NC(=O)C2(C#N)CCCC2)ccc1O 157056108 IYDXILHQQDTCBW-UHFFFAOYSA-N 244.294 2.723 30 20 BFED CC#CCCOc1cc(C)ccc1C(C)=O 157753467 IXYCUHNHHTVIAK-UHFFFAOYSA-N 216.280 2.990 30 20 BFED CC(C)[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@@H](C)C1 162662754 ORIXVBBMUJTRBY-BZPMIXESSA-N 236.359 2.867 30 20 BFED Cc1cc(C#N)ccc1CN1CCC[C@H](C#N)C1 165426551 KCYNOHGDVIGRIH-CQSZACIVSA-N 239.322 2.602 30 20 BFED C#CCCCN(C)[C@@H](C)Cc1ccccc1OC 169046177 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2.555 30 20 BFED CCCC[C@H](C)C(=O)N[C@@H](CC)CC#N 308813176 SUTCZELWPNZYOO-QWRGUYRKSA-N 210.321 2.621 30 20 BFED C#C[C@@H](CC)NCc1csc(C2CC2)n1 308967907 XDOSEPMFTKVINU-JTQLQIEISA-N 220.341 2.522 30 20 BFED C=C[C@H](CO)NCc1csc2ccccc12 309481949 DXLGGPWHKXJZKZ-LLVKDONJSA-N 233.336 2.538 30 20 BFED C=CCC[C@H](CC)N[C@H]1CCN(C)[C@H](C)C1 310002313 FHMSEMZZUIKXPX-RDBSUJKOSA-N 224.392 2.804 30 20 BFED OC1=N[C@@H](/C(O)=N/Cc2ccsc2)CCC1 328858655 KZRMQYPGILCJKM-SECBINFHSA-N 238.312 2.714 30 20 BFED C[C@@H]1C[C@H](/C(O)=N/C2(C#N)CCCC2)CCC1=O 328916472 KEXUYLVJHVGLAB-GHMZBOCLSA-N 248.326 2.785 30 20 BFED Cc1n[nH]c(C)c1N=C(O)[C@@H]1CCCSC1 329539804 WGNXLPDTFSIAAN-SECBINFHSA-N 239.344 2.758 30 20 BFED CC[C@@H]1OCCC[C@H]1C(O)=Nc1ccnnc1C 330232327 FKILAZOENFHLPX-PWSUYJOCSA-N 249.314 2.578 30 20 BFED C[C@H](C#N)NC(=O)Cc1ccc(C(C)(C)C)cc1 330614755 BKBOYEFJWRDOLQ-LLVKDONJSA-N 244.338 2.555 30 20 BFED C[C@@H]1CC[C@H](CC(=O)N2CCC(CC#N)CC2)C1 334198326 OGRLHCXNPFSKKP-OCCSQVGLSA-N 248.370 2.965 30 20 BFED 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BFED N#CC1(CCCCN2CCOCC23CC3)CCC1 930360157 JFNGNFLFWCHQCL-UHFFFAOYSA-N 248.370 2.715 30 20 BFED C#Cc1ccc(NC(=O)N2CCC[C@@H](C)C2)cc1 934937691 OLSVGKVTMHVOPK-GFCCVEGCSA-N 242.322 2.932 30 20 BFED C#CCNC(=O)Nc1c(C)cc(Cl)cc1C 1118517492 ZHOIMHMFZNYPIF-UHFFFAOYSA-N 236.702 2.712 30 20 BFED C=C(C)CCC(=O)OCc1cccnc1C 1122893427 YAFYIWHWMIOXTL-UHFFFAOYSA-N 219.284 2.790 30 20 BFED C#CCC[C@H](C)OC(=O)[C@@H]1CCOC(C)(C)C1 1123069489 HYFMWTXPIRJBHN-NWDGAFQWSA-N 238.327 2.537 30 20 BFED N#Cc1cnc(NCc2cccs2)c(F)c1 1184515647 BAULFUPBUKSWEQ-UHFFFAOYSA-N 233.271 2.766 30 20 BFED C#C[C@H](C)N(C)Cc1nc2c(s1)C[C@@H](C)CC2 1256048362 LHGTUQVTXLGNII-QWRGUYRKSA-N 248.395 2.721 30 20 BFED CC(=NNc1ccn(C)n1)c1ccc(C)s1 1321014904 VZDZDGXEXHECGR-UHFFFAOYSA-N 234.328 2.626 30 20 BFED C=C(C)CCOC(=O)c1cnc(C(C)C)[nH]1 1322507843 QRSLACUODUTCBI-UHFFFAOYSA-N 222.288 2.656 30 20 BFED C=C[C@@H](COC)N[C@H](C)CCc1ccccc1 1324026886 BFQDQFILZACAEW-HIFRSBDPSA-N 233.355 2.798 30 20 BFED C=CC(C)(C)CC(=O)N(C)c1ccnc(C)c1 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30 20 BFED C=CCc1ccc(OCc2ccon2)c(OC)c1 76422978 WYKHMNHRRZHNSH-UHFFFAOYSA-N 245.278 2.991 30 20 BFED COc1ccccc1NCC1(CC#N)CC1 83853516 OETXPCXIROJGRW-UHFFFAOYSA-N 216.284 2.801 30 20 BFED CCC1(C(=O)N[C@H](C#N)C(C)C)CCCC1 94901863 NRIJPKQXMSBHFL-LLVKDONJSA-N 222.332 2.621 30 20 BFED C#CCN(Cc1ccc(F)cc1)C(=O)CCC=C 102244437 UCVLDTWKGIYDIT-UHFFFAOYSA-N 245.297 2.754 30 20 BFED C#CCNC(C)(C)c1ccc(Cl)cc1 103482125 WWWCWINVMNXPSR-UHFFFAOYSA-N 207.704 2.798 30 20 BFED C#CCCOC(=O)c1ncoc1-c1ccccc1 112149231 MDSNXRWVQWJBKN-UHFFFAOYSA-N 241.246 2.522 30 20 BFED C=C(C)CN1CCC[C@H]1c1ccncc1 119868924 KSPNGCSISVRBPA-ZDUSSCGKSA-N 202.301 2.795 30 20 BFED C=C(C)CN(C)[C@H]1C[C@H](OCC)C12CCC2 121061913 VMEZMUMZDKPLIZ-STQMWFEESA-N 223.360 2.842 30 20 BFED C=CCCOC(=O)c1ccc(F)c(OC)c1 122561012 BHKTUMBXFYUCQN-UHFFFAOYSA-N 224.231 2.567 30 20 BFED C=C[C@@H](C)NC(=O)c1cc2ccccc2cc1O 123517298 BHMQVTVVQYGSAP-SNVBAGLBSA-N 241.290 2.850 30 20 BFED C=C[C@@H](C)NC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 128275138 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30 20 BFED C=CCOC(=O)[C@H](C)Cc1cccc(F)c1 195216125 SMYCKXSPNURPLH-SNVBAGLBSA-N 222.259 2.734 30 20 BFED N#CCCCN1CC[C@H]2CCCC[C@@H]2C1 217658494 XJYLEPYDFDSIAM-CHWSQXEVSA-N 206.333 2.802 30 20 BFED C=CCCOCCNCc1cccc(F)c1F 229880009 JRMZVDCFDWFDPN-UHFFFAOYSA-N 241.281 2.647 30 20 BFED C[C@H]1C[C@@H](Nc2nccc(C#N)n2)CC[C@H]1C 231902637 NKKAVRZJWDLNHE-VWYCJHECSA-N 230.315 2.585 30 20 BFED C#C[C@@H](CCC)NC(=O)c1c(C)oc(C)c1C 233294241 WMLDGAXLADUCDY-LBPRGKRZSA-N 233.311 2.737 30 20 BFED C=CCN(C)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 249524824 XRSHDQQIGHNPIW-CYDGBPFRSA-N 236.359 2.639 30 20 BFED CC(C)[C@@](C)(C#N)NC(=O)/C=C\c1ccccc1 255168200 ZIYJQYFVUOLYNO-FJVVXJACSA-N 242.322 2.754 30 20 BFED C=CCCCN(C)Cc1cccc(C(=O)O)c1 263363442 VFJKGTXMJRCWIK-UHFFFAOYSA-N 233.311 2.783 30 20 BFED C[C@@H](NCCCCC#N)c1cccc(CO)c1 270413248 CMAAHOGQAQTKLU-GFCCVEGCSA-N 232.327 2.523 30 20 BFED C=C1CCN(Cc2cc(C)ccc2O)CC1 271168946 PIFLVCBRAXZMRX-UHFFFAOYSA-N 217.312 2.853 30 20 BFED 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221.348 2.938 30 20 BFED CC(=NNc1cccc(F)n1)c1cscn1 795006345 NIDKJCMSRNKCBA-UHFFFAOYSA-N 236.275 2.513 30 20 BFED COCCCON=C[C@@H]1CCc2ccccc21 795050996 KQZFVNGXEONIOR-ZDUSSCGKSA-N 233.311 2.755 30 20 BFED C=CC[C@@H](CC)NC(=S)NCCCC 798375903 OVVKSSIQQBBEML-SNVBAGLBSA-N 214.378 2.605 30 20 BFED CCc1cccc(C)c1NN=Cc1cc[nH]n1 799493488 DHNVPHLTBXLWSR-UHFFFAOYSA-N 228.299 2.727 30 20 BFED CCCCCCCOC(=O)[C@@](C)(O)C1CC1 805576458 RLLNNODKXCDXLY-ZDUSSCGKSA-N 228.332 2.661 30 20 BFED CCC1(C=NOCC2CC2)CCOCC1 814243340 QZDFBNRBABHJDS-UHFFFAOYSA-N 211.305 2.606 30 20 BFED COc1cccc(NN=C2CC(C)(C)C2)n1 814900091 CYAWWURAUABOFK-UHFFFAOYSA-N 219.288 2.678 30 20 BFED CC(C)n1cncc1C=NN[C@@H]1CCCC1(C)C 819809847 PGAVKOSBJNSFKX-CYBMUJFWSA-N 248.374 2.966 30 20 BFED C=C[C@H](CC)CC(=O)N1CC(C)(CC)C1 819968713 FJSIXWKMHBKJOG-LLVKDONJSA-N 209.333 2.847 30 20 BFED C=CCCCNC1(C(=O)O)CCC(CC)CC1 825671201 FLFLUJRXLVLLAE-UHFFFAOYSA-N 239.359 2.966 30 20 BFED CC(C)C#CC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 828794870 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244.273 2.920 30 20 BFED C[C@@H](NN=C1CCC[C@@H]1F)C(C)(C)C 872376169 GDQZTOBRDXWINH-BDAKNGLRSA-N 200.301 2.889 30 20 BFED CCCON=C1CCCc2ncccc21 872384808 VQPOCIVPYYOERX-UHFFFAOYSA-N 204.273 2.549 30 20 BFED CC(=NN1CCC1)c1ccc2cc(O)ccc2c1 872396631 KSRRTTQLFUVDEO-UHFFFAOYSA-N 240.306 2.975 30 20 BFED CCC[C@H](CC)C(=O)N(C)[C@@H](C#N)CC 875815013 VVFPJGJSCOKIAC-WDEREUQCSA-N 210.321 2.573 30 20 BFED C=CC(C)(C)CC(=O)NC[C@H](CCC)CCO 879027307 YRZJEWGISGPYMY-GFCCVEGCSA-N 241.375 2.504 30 20 BFED C=CC(C)(C)CC(=O)Nc1cc(F)ccn1 880674662 PNZLYVAQVNSXAF-UHFFFAOYSA-N 222.263 2.762 30 20 BFED Fc1cccc(/C=C\C=NNC2CCOCC2)c1 884435154 MOAMFSFIPSZFHP-KCLRZSDESA-N 248.301 2.593 30 20 BFED C=C1CCN(C(=O)N[C@@H]2CCCC[C@H]2C)CC1 891471448 STRLULMLWSIKAC-CHWSQXEVSA-N 236.359 2.927 30 20 BFED C=CC1(OC(=O)[C@H]2CCO[C@@H](CCC)C2)CC1 893364016 KZYTVRHTQUQTRU-RYUDHWBXSA-N 238.327 2.844 30 20 BFED CCCSC[C@H](C)NCC1(C#N)CCC1 894966832 PFNLRZPNWRTWIJ-NSHDSACASA-N 226.389 2.802 30 20 BFED C[C@@H](C(=O)Nc1ncc(C#N)s1)C1CCCC1 896485087 RYGPIUHRWGKREU-MRVPVSSYSA-N 249.339 2.780 30 20 BFED C=CCC[C@H](N[C@@H]1CCC[C@H](C)[C@@H]1C)C(=O)O 901692370 LYCDAOMBVUTWCK-RVMXOQNASA-N 239.359 2.820 30 20 BFED C=C(C)COCCNCc1cc(C)ccc1NC 902318307 GSZKSNYJEIFMTR-UHFFFAOYSA-N 248.370 2.719 30 20 BFED C=CC[C@H](CC)NC(=O)/C=C(/C)Cl 907961885 GUDOJXUGVBFWJO-FUOZMLNRSA-N 201.697 2.600 30 20 BFED CC(C)(O)CCSCC1(C#N)CCCC1 918005051 VPWXPYBOBUCZQS-UHFFFAOYSA-N 227.373 2.965 30 20 BFED CC(C)n1ccc(CN[C@@H](C)CC(C)(C)C#N)n1 925109298 ZRFXXCKZGVVTMC-LBPRGKRZSA-N 248.374 2.882 30 20 BFED CCCCN(C)C(=O)c1cc(C#N)ccc1C 929793003 SLCYXEKXHCSWNG-UHFFFAOYSA-N 230.311 2.739 30 20 BFED C=C[C@H](CC)CC(=O)NCC(C)(C)CCCO 935225785 KNAFJIQZVZUBAG-GFCCVEGCSA-N 241.375 2.504 30 20 BFED CN(CCC#N)c1ccc(CNC2(C)CC2)cc1 1116094678 VHXDKRNUJJITGX-UHFFFAOYSA-N 243.354 2.679 30 20 BFED CCCOCc1nnc(-c2cccc(C#N)c2)o1 1117231918 XSDRQJJJGLZVEE-UHFFFAOYSA-N 243.266 2.535 30 20 BFED C#CCN(CC1CC1)[C@@H](C)c1ccc(C#N)cc1 1117932922 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BFED CC1(C(=O)[C@@H](C#N)c2cccc(F)n2)CCC1 1342559850 XDPGBDFRBNWTPZ-VIFPVBQESA-N 232.258 2.587 30 20 BFED C=C[C@@H](CC)CC(=O)OC[C@@H](OC)C1CC1 1343499497 DBFZFTKZCRYYCL-CMPLNLGQSA-N 226.316 2.557 30 20 BFED C=C[C@@](C)(CC)COC(=O)c1ocnc1CC 1344571550 SCQSYXJKZAWXGL-ZDUSSCGKSA-N 237.299 2.996 30 20 BFED C=C(CC)C(=O)N[C@H]1C[C@H]1c1ccccc1 1346866185 ULCWALPFFJBASD-STQMWFEESA-N 215.296 2.625 30 20 BFED C=CCCC(=O)N(C)c1cccc2c1CCCN2 1353670055 TYSNXKBJEKQOHT-UHFFFAOYSA-N 244.338 2.974 30 20 BFED C=CCC[C@H]1CCCN1c1cc(CC)ncn1 1354301847 ZHJQSHXZSMTMQW-ZDUSSCGKSA-N 231.343 2.974 30 20 BFED C#C[C@@H](NC(=O)N1CCC[C@H]1CCC)C(C)C 1357427180 BIAMFFZMUQSUMD-CHWSQXEVSA-N 236.359 2.618 30 20 BFED N#Cc1ccc(F)c(NC(=O)C2=CCCC2)c1 1436643616 JIOSIXBPPOEIAZ-UHFFFAOYSA-N 230.242 2.746 30 20 BFED CC[C@H]1CCN(c2nc(C)ccc2C#N)[C@H]1C 1458329959 MBUDLKLMDRJIKS-RYUDHWBXSA-N 229.327 2.887 30 20 BFED C=C(CC(C)C)C(=O)N[C@@H]1C[C@H](OC)C1(C)C 1519785693 YAFXHXUGBCQCEC-NEPJUHHUSA-N 239.359 2.518 30 20 BFED 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2.947 30 20 BFED COCCN(CC#N)Cc1cccc(C(C)C)c1 595523044 GMPCLKULYNFHTI-UHFFFAOYSA-N 246.354 2.782 30 20 BFED C=CCNC(=O)CSC[C@H]1CCCC[C@@H]1C 596378699 ZWIQLISDICIVDD-NWDGAFQWSA-N 241.400 2.848 30 20 BFED C=CCCSCCNC(=O)CC1(C)CC1 597966919 FWBWLALXKQJELA-UHFFFAOYSA-N 227.373 2.602 30 20 BFED C[C@@H](C#N)CN(C)CC(C)(C)Oc1ccccc1 602448073 RPHHAWZKUMNZBY-ZDUSSCGKSA-N 246.354 2.935 30 20 BFED C[C@]1(C#N)CCCN(Cc2cccs2)C1 612406386 KTEWTBMHGLTLTN-GFCCVEGCSA-N 220.341 2.874 30 20 BFED C=CCCOCC(=O)NCC1CCC(C)CC1 620208893 LKPGTVMWROJJRW-UHFFFAOYSA-N 239.359 2.522 30 20 BFED C=C[C@H](C)NCc1ccncc1Br 631089626 WWYPIRTWJSITFO-QMMMGPOBSA-N 241.132 2.508 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@H](CO)C[C@@H](C)CC 649063969 OBRHCCSBHYBCRQ-RYUDHWBXSA-N 241.375 2.502 30 20 BFED C=CCC1(C(=O)N2CC(C(F)F)C2)CCCC1 649164223 HPQJWZOXZCPCEU-UHFFFAOYSA-N 243.297 2.846 30 20 BFED CCC#C[C@@H](C)N1CCC[C@H](OC(C)C)C1 649703087 TZSAKOHJBIOMDB-KGLIPLIRSA-N 223.360 2.678 30 20 BFED C=CC[C@H](C)[C@@H](C)N[C@H]1c2ccccc2C[C@@H]1O 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2.855 30 20 BFED C[C@@H](C#N)OC(=O)c1cc2cc(F)ccc2o1 735548492 IEQPAZLOLNCUSW-ZETCQYMHSA-N 233.198 2.641 30 20 BFED CC1(C)CCC(=NNc2cnccn2)CC1 735972189 PKXBTPPCVQRRBZ-UHFFFAOYSA-N 218.304 2.845 30 20 BFED CC(=NNc1cccnn1)c1ccc(Cl)cc1 735977314 XPVYSMKYYMZFBN-UHFFFAOYSA-N 246.701 2.966 30 20 BFED C/C(=C\C(=O)O[C@H](C)C#N)c1ccc(F)cc1 743072344 SUBQLVYTDYLVEE-TTZKWOQHSA-N 233.242 2.684 30 20 BFED CC#CCOC(=O)C(C)(C)c1ccccc1C 744890897 WXESFPBOBPSWOH-UHFFFAOYSA-N 230.307 2.839 30 20 BFED C1=C[C@H]2C[C@H]1C[C@@H]2C=NNC1CCCC1 755689131 LIVKEOXCFGKQBA-SDDRHHMPSA-N 204.317 2.717 30 20 BFED Cc1cc(C(=O)O[C@@H](C)C#N)ccc1Cl 759391724 MKNCYSCNASDHEM-QMMMGPOBSA-N 223.659 2.717 30 20 BFED C#CCSCCNC(=O)[C@@H](C)C(CC)CC 761773451 VPBUZXWWJVJEJC-NSHDSACASA-N 241.400 2.541 30 20 BFED CC(C)ON=Cc1c(Cl)nc2ccccn12 761850211 SHEZTOBSKUQGPO-UHFFFAOYSA-N 237.690 2.747 30 20 BFED Cc1ccc(C=NNc2ccccc2)cn1 764890881 FBBIZGFWLXFKKL-UHFFFAOYSA-N 211.268 2.836 30 20 BFED COc1cc(C#N)ccc1COC(=O)C(C)(C)C 766879744 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CCCCOc1ccc(C(=O)O[C@@H](C)C#N)cc1 785757279 SZQLFJCHARUZEN-NSHDSACASA-N 247.294 2.934 30 20 BFED CC(=NNC1CCCCC1)c1ccc(N)cc1 786039510 CUOVABCJWFFRRS-UHFFFAOYSA-N 231.343 2.915 30 20 BFED C#Cc1ccc(CN(C)Cc2cccnc2)cc1 787773805 HLXRAWASOYPYHR-UHFFFAOYSA-N 236.318 2.695 30 20 BFED C[C@@H]1CCC[C@@H](C=NOC[C@H]2CCOC2)C1 788032544 AFVPMOGYBNZTHV-UPJWGTAASA-N 225.332 2.852 30 20 BFED CC[C@H](C)NN=Cc1ccc(N(C)C)c(F)c1 790183394 RMDDOFVKVMKMEH-JTQLQIEISA-N 237.322 2.614 30 20 BFED CC(C)Cc1ccccc1C(=O)N[C@H](C)CC#N 790536803 NNANRCNZLSQXMB-GFCCVEGCSA-N 244.338 2.917 30 20 BFED C=CCCCC(=O)N(C)Cc1ccn(CC)c1 790997178 QYOCBXXMNRZFHX-UHFFFAOYSA-N 234.343 2.823 30 20 BFED C#Cc1ccc(C(=O)OC[C@@H](C)CC(C)C)cn1 798612677 XKTZSAZOWHFIJV-LBPRGKRZSA-N 245.322 2.902 30 20 BFED CC[C@@H](C)CN(C)C(=O)c1ccc(C)c(C#N)c1 799334945 HSABSCHSOOOKTM-LLVKDONJSA-N 244.338 2.985 30 20 BFED C=CCOC(=O)[C@@H]1CCCC(F)(F)C1 800280284 SDCIZELMEUENPL-MRVPVSSYSA-N 204.216 2.541 30 20 BFED CC(=NN=C[C@H]1CC[C@@H](C)C1)c1cnccn1 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BFED C=CCCC(=O)[C@@H]1CCCN1C(=O)/C=C(/C)CC 908660277 KDIIMHUQQJUWKA-HHQWOOOKSA-N 249.354 2.869 30 20 BFED CCC(C)(C)C(=O)NCCC#C[Si](C)(C)C 912332412 NYSWOTYTGVWCHX-UHFFFAOYSA-N 239.435 2.810 30 20 BFED C=C(C)CNC(=S)N(C)[C@H](C)C(C)(C)C 914561892 XHSICONQYBZCPM-SNVBAGLBSA-N 228.405 2.803 30 20 BFED C=CCNC(=S)N(C)c1cc(C)cc(C)c1 917594890 NBJGCVSASOCITR-UHFFFAOYSA-N 234.368 2.800 30 20 BFED C=C(C)COC(=O)C[C@@H](C)n1nc(C)cc1C 919312277 QGRVPINVCKSGAN-GFCCVEGCSA-N 236.315 2.570 30 20 BFED C#CCN(C(=O)N[C@@H](C)CCC1CC1)C(C)C 922019523 LMKTUQQOFWYINW-LBPRGKRZSA-N 236.359 2.618 30 20 BFED CC(C)Cc1ccc(C(=O)N[C@@H](C)C#N)s1 930908061 PNQZDOJNKYVYCK-VIFPVBQESA-N 236.340 2.588 30 20 BFED CC(=NOC(C)(C)C)c1cccc(O)c1 1116408762 MPEXYMKGDGQRCU-UHFFFAOYSA-N 207.273 2.931 30 20 BFED C[C@@H]1CN(c2cccc(CC#N)n2)[C@H](C)[C@@H]1C 1118034825 ITMCBOMRLUJPPK-IJLUTSLNSA-N 229.327 2.628 30 20 BFED C(#CC1CC1)c1nnc(CC2CCCC2)o1 1118371697 FQUUVQQOTRFGOV-UHFFFAOYSA-N 216.284 2.564 30 20 BFED 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207.273 2.578 30 20 BFED C#CCC(C)(C)C(=O)O[C@@H](C)c1cncc(F)c1 839077983 XZOVPMFRLVYTBF-JTQLQIEISA-N 249.285 2.874 30 20 BFED CC/C=C\C/N=C\c1cc([N+](=O)[O-])ccc1O 840707979 TWDKPIWKNHHGEV-STDQBLBLSA-N 234.255 2.686 30 20 BFED CCCON=C1CCC[C@@H](c2ccnn2C)C1 842555064 SUQXTQSOJDISIL-LLVKDONJSA-N 235.331 2.860 30 20 BFED C#CC1CCN(C(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 843705377 DSBJRFCZJWIOEF-DZGCQCFKSA-N 233.355 2.540 30 20 BFED CCON(C(=O)c1cccc(CC#N)c1)C(C)C 844079211 XUVPGMYUSAQWFW-UHFFFAOYSA-N 246.310 2.555 30 20 BFED C#C[C@@H](NC(=O)C(C)(C)CCC)C(C)C 844511554 QQPRDBODRVJOPZ-LLVKDONJSA-N 209.333 2.587 30 20 BFED C=C(C)CON=Cc1csc(C2CC2)n1 844616752 DUUNFBRBDMOYBW-UHFFFAOYSA-N 222.313 2.947 30 20 BFED C=C(C)CONC(=O)Cc1ccccc1Cl 846540555 ARKPRLLKJFFRLF-UHFFFAOYSA-N 239.702 2.506 30 20 BFED C=C[C@@H](C)ONC(=O)[C@@H](CCC)c1ccccn1 846552950 TVSTVCNKOWWGME-NEPJUHHUSA-N 248.326 2.588 30 20 BFED COc1cccc(O)c1/C=N\[C@H]1C=CCC1 849170358 ONDIZIDCLKQFHK-ADVUTCEVSA-N 217.268 2.538 30 20 BFED C=C(Cl)CN1CCc2cc(OC)ccc2C1 852551405 VMDDSNIAPCJMKJ-UHFFFAOYSA-N 237.730 2.806 30 20 BFED CSc1cc(C)c(C(=O)O[C@@H](C)CC#N)o1 853107451 TVNHUOQNMNZYBC-QMMMGPOBSA-N 239.296 2.769 30 20 BFED C#C[C@H](OC(=O)c1ccsc1Cl)C1CC1 853112520 FABUUOMWBVMUGW-VIFPVBQESA-N 240.711 2.970 30 20 BFED C[C@H](C=NN1CCCC[C@@H]1C)CCC#N 853379901 NHRDUQZNJLOBSR-RYUDHWBXSA-N 207.321 2.786 30 20 BFED C#CCCCOc1cccnc1N1CCC[C@H]1C 853394350 MRTZFBYHJQZZMF-CYBMUJFWSA-N 244.338 2.863 30 20 BFED C=C[C@H](C)ONC(=O)c1ccc(C2CC2)cc1 855027761 LYAKUOCAIYXAAI-JTQLQIEISA-N 231.295 2.800 30 20 BFED C#CCCOC(=O)NC(C)(C)c1cccc(F)c1 858996728 OVLSNPMULOYBJT-UHFFFAOYSA-N 249.285 2.810 30 20 BFED C=CCC[C@H](C)NCc1ccc(CC(=O)O)cc1 859820740 XAXBSBXDYYJZKR-LBPRGKRZSA-N 247.338 2.758 30 20 BFED C=CCCCCOC(=O)c1conc1CC 860433370 CHOVYELFOPTMQJ-UHFFFAOYSA-N 223.272 2.750 30 20 BFED Cc1nc(C#N)c(C#N)n1C[C@H](C)C(C)(C)C 865363861 VZPMBVNLOZYBDI-VIFPVBQESA-N 230.315 2.617 30 20 BFED C#CCCCCCCNCC1(O)CCCCC1 876997858 JAAJMORTQIWWBH-UHFFFAOYSA-N 237.387 2.855 30 20 BFED C#CCCCNCc1cc2ccccc2n1C 877070252 MMSYFSMVEBQMAN-UHFFFAOYSA-N 226.323 2.681 30 20 BFED CC(C)C#CC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 887882056 LMURACQNTXYKJX-CTASWTNQSA-N 245.366 2.540 30 20 BFED C=CCN(CC=C)C(=O)C1CCC(=C)CC1 887911520 QGOWAVFXLGLKCK-UHFFFAOYSA-N 219.328 2.933 30 20 BFED C=CC1(OC(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1 893363165 SVBMELFPVKGAOC-URLYPYJESA-N 206.285 2.684 30 20 BFED COc1cccc(C)c1CN1CCC[C@H](C#N)C1 896506342 SASQAWCVCJUKAY-CYBMUJFWSA-N 244.338 2.739 30 20 BFED C=C1CC(c2noc([C@@](C)(OC)C3CC3)n2)C1 896877385 POSXRVBTABNVSL-ZDUSSCGKSA-N 234.299 2.775 30 20 BFED C[C@@H]1OCCC1=NNc1c(F)cc(F)cc1F 901320874 SJBPJILQMKLZLT-LURJTMIESA-N 244.216 2.681 30 20 BFED C=CCOCc1nc([C@H](OCC)C(C)C)no1 904117519 RPROWGZMGIATLA-LLVKDONJSA-N 240.303 2.506 30 20 BFED CC(=O)c1cc(F)ccc1NC(=O)CCCC#N 906212089 KJEVXCNMZBCYQE-UHFFFAOYSA-N 248.257 2.661 30 20 BFED CCN(CCC#N)[C@@H]1C[C@@H]1c1cccc(F)c1 906592973 SNOAOCZUAQFBGN-ZIAGYGMSSA-N 232.302 2.917 30 20 BFED C=C[C@H](CC)CC(=O)OCCc1cscn1 909525256 MQSOPPHFGSPLJK-SNVBAGLBSA-N 239.340 2.831 30 20 BFED C=CCN(C(=O)c1ccc(COC)cc1)C(C)C 915153394 JYJDKBSSFNAYFW-UHFFFAOYSA-N 247.338 2.870 30 20 BFED CC(=NNc1cc(C)nc(C)n1)c1ccc(C)o1 915970921 UATKACWQOOIHOC-UHFFFAOYSA-N 244.298 2.831 30 20 BFED C=C(C)COC(=O)/C=C\c1ccccc1F 916602077 UNTHYKTWKWSMNZ-FPLPWBNLSA-N 220.243 2.958 30 20 BFED C=C[C@H](CC)CC(=O)N(C(C)C)C1CC1 931833459 FUSXNGPBKSWILQ-LLVKDONJSA-N 209.333 2.988 30 20 BFED C#CCCN(OC)[C@@H](C)c1ccccc1OC 932544786 HCVLFGGWZAOEMP-LBPRGKRZSA-N 233.311 2.643 30 20 BFED C#Cc1ccc(NC(=O)N(C)CC(C)C)cc1 934936838 YJQVPNWMIDSWMT-UHFFFAOYSA-N 230.311 2.788 30 20 BFED C=C[C@H](CC)CC(=O)N(C)CCCSC 935806506 MMFFSQAJEFDVLV-LLVKDONJSA-N 229.389 2.800 30 20 BFED C=C[C@H](COC)N[C@H](C)Cc1ccc(F)cc1 1116643817 IUERAIRKSAMLRG-BXUZGUMPSA-N 237.318 2.547 30 20 BFED C#Cc1ccc(NCC2(COC)CCCC2)nc1 1120939369 ILIUHWUGAZWNMZ-UHFFFAOYSA-N 244.338 2.682 30 20 BFED CC(=O)c1ccc(Oc2ccnc(C#N)c2)cc1 1161988984 CHMBZESNAGYOJB-UHFFFAOYSA-N 238.246 2.948 30 20 BFED N#C[C@H]1CC[C@@H](N[C@@H]2CC[C@H]2C2CCC2)C1 1182499221 MLTGHXXJIIIRAS-AHLTXXRQSA-N 218.344 2.847 30 20 BFED C=C(Cl)COC(=O)[C@@H]1CCCCN1CCC 1319041259 KFTPVGYHEIOFQT-NSHDSACASA-N 245.750 2.547 30 20 BFED C[C@H](CC1CCCCC1)C(=O)OCC#N 1321838626 ACLNWFSTPFBUQU-SNVBAGLBSA-N 209.289 2.660 30 20 BFED C=CC[C@@H](N[C@@H](C)CC(C)(C)C)C(=O)OCC 1324378589 MBUGCXDPMAJDGI-NWDGAFQWSA-N 241.375 2.909 30 20 BFED C=CCCCOC(=O)c1csc(C#N)c1 1324955222 WNUNOVGJPKHSKB-UHFFFAOYSA-N 221.281 2.743 30 20 BFED N#CC1(c2nnc(CC3CC3)o2)CCCCC1 1325776740 YPSIQSSSHLWQCM-UHFFFAOYSA-N 231.299 2.748 30 20 BFED Cc1c(C#N)cccc1C(=O)N[C@H]1CC12CCC2 1329917004 UTJQPXGHPXDVLA-ZDUSSCGKSA-N 240.306 2.539 30 20 BFED N#Cc1cc(Cl)ccc1NC(=O)[C@@H]1C[C@@H]1F 1339086393 RTKLFLKXMGBLQK-BDAKNGLRSA-N 238.649 2.508 30 20 BFED CCC[C@@H](C)CC(=O)N(CC)[C@@H](C#N)CC 1339196316 OKRJYACTAGVZCD-VXGBXAGGSA-N 224.348 2.963 30 20 BFED C=C[C@H]1CCCCN1C(=O)Nc1nocc1C 1339345373 XRNFQTOWGTUGCZ-JTQLQIEISA-N 235.287 2.555 30 20 BFED Cc1ncccc1COC(=O)C1(C#N)CCCC1 1343664241 UXPQFKQXECTNAK-UHFFFAOYSA-N 244.294 2.517 30 20 BFED C#CC[C@H](C)OC(=O)[C@@H]1CCc2cc(F)ccc21 1516860133 NTABAYCNSUFWMR-IINYFYTJSA-N 246.281 2.811 30 20 BFED C=CCC(C)(C)COC(=O)[C@H](F)CC 1518963701 VVYZXJBXZGGLCB-SECBINFHSA-N 202.269 2.880 30 20 BFED C=CCCCCNC1CCC(CC(=O)O)CC1 1588802507 PPSCCEYTTBFSRR-UHFFFAOYSA-N 239.359 2.966 30 20 BFED CCCON=Cc1c[nH]c2c(C(=O)O)cccc12 1776082663 GQYVZDZICWTWEK-UHFFFAOYSA-N 246.266 2.627 30 20 BFED C[C@@H](Cc1ccco1)Nc1ccc(C#N)cn1 37986088 LPQQDNUMHAPJDR-JTQLQIEISA-N 227.267 2.589 30 20 BFED CCC(C#N)(CC)C(=O)NC(C1CC1)C1CC1 44766594 SBNGVWBNSPXALT-UHFFFAOYSA-N 234.343 2.621 30 20 BFED CC[C@@H](CC#N)NC(=O)c1ccc2c(c1)CCC2 54177664 HEZQNROBZLSIRJ-AWEZNQCLSA-N 242.322 2.597 30 20 BFED C#CCN(CC)C(=O)N[C@H](C)c1ccc(C)cc1 56731579 CUZDDSWERZBHIZ-CYBMUJFWSA-N 244.338 2.721 30 20 BFED O=C(CCCSc1ccc(Cl)cc1)NO 59846862 OIGAQPABWPTPLW-UHFFFAOYSA-N 245.731 2.718 30 20 BFED C[C@@H](CC#N)N(C)C(=O)c1cc2c(s1)CCC2 63094114 PEEWLSFBHXIGBS-VIFPVBQESA-N 248.351 2.611 30 20 BFED C[C@@H](CC#N)N(C)C(=O)c1ccccc1Cl 63094217 SZCZTNUEPRFXMN-VIFPVBQESA-N 236.702 2.714 30 20 BFED N#CCCCCN1CCC[C@H]1CN1CCCCC1 69031338 JDWCXVLASCNPPV-HNNXBMFYSA-N 249.402 2.631 30 20 BFED CC(C)[C@H](C#N)NC(=O)CC1CCCCC1 70979845 YMUUYTRRZQSVNC-LBPRGKRZSA-N 222.332 2.621 30 20 BFED C=CCCC(=O)N1c2ccccc2OC[C@H]1C 72533166 WHJPDVZNMCMVBG-LLVKDONJSA-N 231.295 2.767 30 20 BFED CCC(CC)NC(=O)NCC#Cc1ccccc1 75687681 NACCMTMOKLSMEW-UHFFFAOYSA-N 244.338 2.526 30 20 BFED CCCC[C@@H](CC)C(=O)N[C@@H](C#N)C(C)C 79843601 BEKRPCYYUKIRJB-NEPJUHHUSA-N 224.348 2.867 30 20 BFED N#Cc1ccc2c(Br)nccc2c1 82766523 VHBYIXALBSJEBN-UHFFFAOYSA-N 233.068 2.869 30 20 BFED N#CCC1(CSc2nccs2)CC1 83862464 UTKQPPZOOSUZAX-UHFFFAOYSA-N 210.327 2.929 30 20 BFED Cc1cc(C)c(C#N)c(NCCC2CC2)n1 83894907 WGZQJAKBQKMXDB-UHFFFAOYSA-N 215.300 2.782 30 20 BFED CCc1cccc(C)c1NC(=O)NC[C@H](C)C#N 84907419 WTAKBFPDHKVSOF-SNVBAGLBSA-N 245.326 2.839 30 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30 20 BFED CC(C)CCCNC(=O)c1ccc(CC#N)cc1 270225983 HONDQCCWQYNSSO-UHFFFAOYSA-N 244.338 2.919 30 20 BFED C/C=C(\C)C(=O)OCc1ccc(CC#N)cc1 271862201 KRWJGUIBBKEHQR-QDEBKDIKSA-N 229.279 2.762 30 20 BFED N#Cc1ccc(OC(=O)[C@H]2CCCCS2)cc1 273001974 VJXXEZYQJZIEFC-GFCCVEGCSA-N 247.319 2.749 30 20 BFED CC[C@H](NC[C@H](C)COC)c1ccc(C#N)cc1 278289849 QWZBYVHPEPXFRL-WFASDCNBSA-N 246.354 2.881 30 20 BFED Cc1ccc([C@@H]2C[C@H](C)N(CC#N)C2)cc1 278410872 HMTRLYOJJJDNJS-GXTWGEPZSA-N 214.312 2.696 30 20 BFED C#Cc1ccccc1CC(=O)NC(CC)CC 289311806 FBJIKPWTHIRTBB-UHFFFAOYSA-N 229.323 2.515 30 20 BFED C=CCn1c(C2CC2)nnc1N(CC)CCCC 289639923 KZRCRUQDTLOXCP-UHFFFAOYSA-N 248.374 2.968 30 20 BFED C=CCCNc1ccc(OC(C)C)c(C(N)=O)c1 290670684 RDQJDEARQCFKQS-UHFFFAOYSA-N 248.326 2.561 30 20 BFED CC[C@H](C#N)NC(=O)c1cc(F)ccc1Cl 293421834 NEFUTUSMOVTLDF-MRVPVSSYSA-N 240.665 2.511 30 20 BFED CC#CCN(C)C(=O)c1cc(F)ccc1Cl 294721537 YRDZICYGFWRCMQ-UHFFFAOYSA-N 239.677 2.574 30 20 BFED Cc1cc(C)c(C#N)c(N[C@@H](C)CC(C)(C)O)n1 294915356 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N#CCC1(CSCC[C@H]2CCCO2)CC1 596356133 GFBPDRATPTXPFE-LLVKDONJSA-N 225.357 2.983 30 20 BFED N#Cc1cnc2ccccc2c1N1CC[C@@H]2C[C@@H]2C1 596512342 UPINSBDQICFHFO-VXGBXAGGSA-N 249.317 2.953 30 20 BFED CC(C)/C=C/c1cn([C@@H]2CC[C@H](C#N)C2)nn1 600972742 DKGCWFIQVKQSIV-OLEFQQMKSA-N 230.315 2.812 30 20 BFED Cc1ccc(C#N)cc1OC[C@H]1CCO[C@H]1C 601077974 DTFOMYKLGXYSSI-WCQYABFASA-N 231.295 2.671 30 20 BFED CC(C)CCN[C@@H](C)CC1(C#N)CCOCC1 602501230 BPHNCDGCIKPHFD-ZDUSSCGKSA-N 238.375 2.721 30 20 BFED C=CCC(C)(C)C(=O)NCCc1ccoc1 618474527 YZGFHBZAWWEMKA-UHFFFAOYSA-N 221.300 2.541 30 20 BFED C=CCCN[C@@H]1CCCc2scnc21 624011888 LGMLNIGYZQQOFJ-SECBINFHSA-N 208.330 2.686 30 20 BFED C=CC[C@@H]1CCN(Cc2ccc(C(=O)O)cc2)C1 629366484 OEDLXZKSTVYHNB-GFCCVEGCSA-N 245.322 2.783 30 20 BFED C=C(C)COCCNCc1ccc(SC)o1 641737034 NWUXHRSGBNMLFM-UHFFFAOYSA-N 241.356 2.684 30 20 BFED C=CCC[C@H](C)N[C@H](CO)C[C@@H](C)CC 647337510 QBPUHBXMRFDAHT-AVGNSLFASA-N 213.365 2.728 30 20 BFED C=CC(C)(C)CNC(=O)NC(C)(C)C1CC1 656172478 WSMFRTPPFWGYCE-UHFFFAOYSA-N 224.348 2.686 30 20 BFED C=C(C)CCc1noc(-c2ncccc2F)n1 664875328 GDZUNKIFCODMKV-UHFFFAOYSA-N 233.246 2.779 30 20 BFED CCCN(CC#CCOC)Cc1ccccc1F 677818306 IQMCIQWHPQOBBQ-UHFFFAOYSA-N 249.329 2.688 30 20 BFED C#CC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 692897954 RNOVAOFDWNXWNX-MRVPVSSYSA-N 241.212 2.516 30 20 BFED C=CCCN(C)c1nc(Cl)cs1 696759265 UHNFCSUNAAOETG-UHFFFAOYSA-N 202.710 2.809 30 20 BFED CCCCCCCNc1nccn2c(C)nnc12 703782631 LJZFDEAPEPECEG-UHFFFAOYSA-N 247.346 2.815 30 20 BFED C=C(C)CCN1C[C@H]2CCCC[C@@]2(C(=O)O)C1 715884129 SXRDCSGVKBCTMG-TZMCWYRMSA-N 237.343 2.529 30 20 BFED C=C1CCN(C(=O)NCC2CCCC2)CC1 729281624 KNCUMGLQXGFGBK-UHFFFAOYSA-N 222.332 2.538 30 20 BFED C=CCCOC(=O)c1ccc(N(C)C)c(F)c1 740236453 CJFPRGNRTFIKAS-UHFFFAOYSA-N 237.274 2.625 30 20 BFED CCCCCCCC(=O)N1CCC[C@H]1COC 752478403 DUGPLELWTAFRBQ-ZDUSSCGKSA-N 241.375 2.984 30 20 BFED Cc1ccnc(NN=Cc2cccc(F)c2O)c1 755770643 MZHKSGJLAHPETO-UHFFFAOYSA-N 245.257 2.681 30 20 BFED C=CCNC(=S)Nc1cncc2ccccc12 758264337 GMVFZVOSKJLPDU-UHFFFAOYSA-N 243.335 2.707 30 20 BFED C#CCCCC(=O)N[C@H](CCC)c1ccccn1 758285652 PIVALUOBJNZKAO-CQSZACIVSA-N 244.338 2.843 30 20 BFED C#CCCCC(=O)N[C@](C)(C1CC1)C(F)(F)F 758526908 HXDDFQBQHICDAK-LLVKDONJSA-N 247.260 2.637 30 20 BFED C#CCOc1cccc(OCCCCOC)c1 760352382 IGBONSRHUWXMFU-UHFFFAOYSA-N 234.295 2.504 30 20 BFED C=CCCC(=O)COC(=O)C1C(C)(C)C1(C)C 761410931 AKRJUNMWLBUXLF-UHFFFAOYSA-N 238.327 2.747 30 20 BFED C=CCCOC(=O)C1Cc2ccccc2C1 763375384 UMPQGNJKCXDYAV-UHFFFAOYSA-N 216.280 2.521 30 20 BFED CC(C)CNN=C1C[C@H](OC(C)C)C1(C)C 764907405 KVANBSHNNDPURJ-LBPRGKRZSA-N 226.364 2.812 30 20 BFED C[C@H](C=NNc1ccc(C(=O)O)cc1)CCC#N 765992244 JAYHUALSRUFSRW-JTQLQIEISA-N 245.282 2.722 30 20 BFED C=C[C@@H](C)NCc1ccc2c(c1)COC(C)(C)O2 768705289 GBNGECGRQIOEPJ-LLVKDONJSA-N 247.338 2.996 30 20 BFED Cc1cc(C=NNCC(F)(F)F)c(C)s1 769807832 AXUGZJUHFVYFGM-UHFFFAOYSA-N 236.262 2.851 30 20 BFED CC1=CC(=NNCc2ccc(C#N)cc2)CC1 769821804 BJLRFACRCBYRKH-UHFFFAOYSA-N 225.295 2.744 30 20 BFED C#C[C@H](C)N(C)Cc1ccc(OC)cc1Cl 769975291 CEWSXCGSNMMJFF-JTQLQIEISA-N 237.730 2.802 30 20 BFED CCC(=NOC)c1cc(C)ccc1OC 771552031 ZCBSNZYRODYYIR-UHFFFAOYSA-N 207.273 2.764 30 20 BFED CCCc1cccc(C=NNc2ncccn2)c1 774362762 LORQURYHFDQFMS-UHFFFAOYSA-N 240.310 2.875 30 20 BFED Cc1ccc(C=NNCCOC(C)C)cc1C 778547796 LHKXRQNACJBJDH-UHFFFAOYSA-N 234.343 2.652 30 20 BFED Cc1ccc(C[C@H](C)C(=O)O[C@H](C)C#N)cc1 778885568 SADJJKBRVJOYTC-NWDGAFQWSA-N 231.295 2.629 30 20 BFED C#CCCCCCC(=O)N1CCCCCC1 779708023 QVAAKBSROHLMQB-UHFFFAOYSA-N 221.344 2.973 30 20 BFED CC(C[C@H](C)CC(C)C)=NN1CCOCC1 779757917 MOEGIDHOIABMKU-GFCCVEGCSA-N 226.364 2.767 30 20 BFED CCCNN=Cc1ccc(Cl)c(C)c1 779771909 DUJSBSRUWFQBKH-UHFFFAOYSA-N 210.708 2.982 30 20 BFED CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccoc1 780253700 YPDGYHDOSQGCNH-GFCCVEGCSA-N 236.315 2.551 30 20 BFED C=CCCN(C)C(=S)NC(C1CC1)C1CC1 786084587 XVMJKPSAXGLPQA-UHFFFAOYSA-N 238.400 2.557 30 20 BFED CC[C@H](C)NN=C1CCc2ccc(OC)cc21 790183619 UCXRSTNMWYUSAQ-JTQLQIEISA-N 232.327 2.734 30 20 BFED C=CCC1(C(=O)OCC(F)F)CCC1 791559082 VHZOMNOBZMWWCY-UHFFFAOYSA-N 204.216 2.541 30 20 BFED Cc1noc(C)c1C=NN[C@H](C)C(C)(C)C 793110912 CRJPLGRQWCAHGR-SNVBAGLBSA-N 223.320 2.650 30 20 BFED Cc1ccc(C=NNc2cccc(Cl)n2)cn1 793162203 SCXCAKGKAGKRNJ-UHFFFAOYSA-N 246.701 2.884 30 20 BFED C=CCCOC(=O)c1cc2nccnc2cc1F 795862891 FEZVBKWPQJZTGX-UHFFFAOYSA-N 246.241 2.502 30 20 BFED CC/C=C\CCOC(=O)[C@@](C)(C#N)CC 796860475 VBPDJKXJPCIESW-ZHRWSRJISA-N 209.289 2.826 30 20 BFED C#C[C@H](NC(=O)CCCc1ccsc1)C(C)C 799042113 OCVRDRRSHUDVIO-ZDUSSCGKSA-N 249.379 2.845 30 20 BFED C#CCN(CC#N)C[C@@H](CC)CCCC 799201627 LYGLLCJGWNZHNM-ZDUSSCGKSA-N 206.333 2.662 30 20 BFED Cc1cc(C)cc(C(=O)/C=C\c2cn(C)cn2)c1 800794093 VXDSSJMMPPKPNY-PLNGDYQASA-N 240.306 2.933 30 20 BFED C[C@H](C#N)OCCN1[C@H](C)C[C@@H]2CCCC[C@H]21 801923343 GBWIHKBZRZTQNH-YIYPIFLZSA-N 236.359 2.568 30 20 BFED C=CCCC(=O)OCc1c(C)cc(C)nc1OC 805437084 AIAKWTSWJQNXEV-UHFFFAOYSA-N 249.310 2.716 30 20 BFED CC(C)(C#N)CCCOc1ccc(F)nc1C#N 808046745 GUMWJPBFTCHOPL-UHFFFAOYSA-N 247.273 2.801 30 20 BFED C#C[C@H](C)NCc1cn(C)nc1C1CCCCC1 809684203 RGURWYIFEGSHCN-LBPRGKRZSA-N 245.370 2.579 30 20 BFED C=CCCCCOC(=O)[C@H](OC)[C@@H](C)CC 811008671 JJXXYBCVYWVFKV-NWDGAFQWSA-N 228.332 2.947 30 20 BFED N#C[C@@H]1CCCC(=NNc2ccc(Cl)nn2)C1 814698153 SRMNARQFDSFTQM-MRVPVSSYSA-N 249.705 2.612 30 20 BFED C#CC1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 826714738 HRIHHGOXTVHAFM-UHFFFAOYSA-N 244.294 2.753 30 20 BFED O=C(O)c1ccc(NN=C[C@@H]2CC=CCC2)cn1 835006640 HNLXADDRNQQDCH-SNVBAGLBSA-N 245.282 2.534 30 20 BFED N#CC1(COC(=O)[C@H]2CCCCC2(F)F)CC1 835414947 SODHYZNOBXPHAX-SECBINFHSA-N 243.253 2.659 30 20 BFED C=CCOCC(=O)O[C@H](CC)[C@H](C)CC 835589414 NHLMNYCLIJXCJI-GHMZBOCLSA-N 214.305 2.557 30 20 BFED CC(C)(C)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839058312 RPWAODZSJQTJOJ-ZJUUUORDSA-N 209.289 2.658 30 20 BFED C=CCC(F)(F)C(=O)N1[C@@H](C)CCC1(C)C 839433737 MXFSZVMXNBHAGE-VIFPVBQESA-N 231.286 2.987 30 20 BFED COc1cccc(/C=N/CCC(C)(F)F)c1O 840705928 GLKPDLDQHNOYJO-OVCLIPMQSA-N 243.253 2.865 30 20 BFED CC(C)CN(CCC#N)C(=O)[C@@H]1C[C@H]1C1CCC1 845310082 LCVIXYJLBKAGPY-UONOGXRCSA-N 248.370 2.821 30 20 BFED CC[C@H](C#N)OC(=O)/C(C)=C/c1ccco1 847656622 HGXASUPGURZGPA-TTZKWOQHSA-N 219.240 2.528 30 20 BFED C=CCNC(=N)NCc1csc2ccccc12 849005637 NPEVXVQETSXBIT-UHFFFAOYSA-N 245.351 2.701 30 20 BFED CC1(C)CC[C@H]1NC(=O)N1CCC[C@H](CC#N)C1 852338298 PLSDDVGXWSMMRG-VXGBXAGGSA-N 249.358 2.510 30 20 BFED C[C@H](C#N)N(CC[C@H]1CC1(Cl)Cl)C1CC1 852481178 IGKGJICOCTUGTK-BDAKNGLRSA-N 247.169 2.947 30 20 BFED C#CCCOC(=O)N(C)CC1CCCCC1 858889272 BFHZFQINXVAEIB-UHFFFAOYSA-N 223.316 2.658 30 20 BFED C[C@H](NCCCCC#N)c1cccc(O)c1F 872031452 KKFUHPPNZZOJJC-JTQLQIEISA-N 236.290 2.876 30 20 BFED O=C(O)c1cccc(NN=C2CCC[C@@H]2F)c1 872325397 PHDLPYWDYRJGGU-JTQLQIEISA-N 236.246 2.675 30 20 BFED C#CCSCC(=O)NC(C)(C)CC(C)(C)C 887890959 OLLOJJKGKJWBBV-UHFFFAOYSA-N 241.400 2.684 30 20 BFED CCCON=Cc1c(C)nn(C(C)C)c1C 901259883 TZIJJGQBMLSUKQ-UHFFFAOYSA-N 223.320 2.841 30 20 BFED C[C@@H]1C[C@H](N)CCN1CCCCC1(C#N)CCC1 903768837 SBFJATQAXHIVIA-ZIAGYGMSSA-N 249.402 2.662 30 20 BFED CC1(C(=O)N(O)Cc2ccccc2Cl)CC1 904190837 RPSMGFQGLYMRFA-UHFFFAOYSA-N 239.702 2.858 30 20 BFED Cc1cccc(NN=Cc2cccc(O)c2O)c1 916255249 MJFUWNDLGHWQJP-UHFFFAOYSA-N 242.278 2.852 30 20 BFED CCCCCCCCC(=O)N(C)CCOC 917836796 CHGXILZQDVIGDE-UHFFFAOYSA-N 229.364 2.842 30 20 BFED COc1cccc(O)c1/C=N\C[C@@H](C)C1CC1 920178442 QXHLGRFWMNGTMR-XBDQXEDDSA-N 233.311 2.866 30 20 BFED C=C[C@@H](CC)CC(=O)NCc1nc(C)cs1 929798326 GUCATYWBSNKFCR-JTQLQIEISA-N 238.356 2.670 30 20 BFED C=C[C@@H](CC)CC(=O)NCCOCCC(C)C 930923508 MDAFDHFQCZGXHU-ZDUSSCGKSA-N 241.375 2.768 30 20 BFED Cc1ccccc1[C@@H]1C[C@H]1NC(=O)C#CC(C)C 1145022986 COBZXYVMOPACDV-LSDHHAIUSA-N 241.334 2.627 30 20 BFED CC(C)(C#N)Cc1nnc(CC2CCCC2)o1 1261575810 UOZLENZSBXPINW-UHFFFAOYSA-N 233.315 2.895 30 20 BFED C=C(CC(C)C)C(=O)NC1CC(C)(C)C1 1263864456 HKBSILDQOLCNFV-UHFFFAOYSA-N 209.333 2.894 30 20 BFED C=CCCN(C)C(=O)CC(C1CC1)C1CC1 1320631957 NLAAJJFIDNBWQY-UHFFFAOYSA-N 221.344 2.847 30 20 BFED C#CCN(CC1CC1)c1nc(C(C)(C)C)ns1 1320752449 LRZMLVBDKPUJFA-UHFFFAOYSA-N 249.383 2.685 30 20 BFED N#Cc1cccc(C#N)c1N1CCC[C@H](CF)C1 1333143084 HXUWADVTUHDWBY-LLVKDONJSA-N 243.285 2.616 30 20 BFED C=CCN(CC1CCCCC1)C(=O)C=C 1336676287 MDAVTPDURDONOA-UHFFFAOYSA-N 207.317 2.767 30 20 BFED C=C(C)CCNC(=O)c1ccc(OC)c(C)c1 1337461875 CKSRCUCHFWSWPV-UHFFFAOYSA-N 233.311 2.700 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)COCCCC 1337548845 AFPUUKOOOFLKCY-CYBMUJFWSA-N 239.359 2.760 30 20 BFED C=C(CC)C(=O)N1CCC[C@@H]1c1cc(C)no1 1345622698 LIYQJILONIRVNT-LLVKDONJSA-N 234.299 2.613 30 20 BFED N#C[C@H]1CC[C@H](SC2=NCCS2)C1 1472925953 GCHZSBSXIFAALC-YUMQZZPRSA-N 212.343 2.515 30 20 BFED N#CC1(CC(=O)OC2CSC2)CCCCC1 1519937362 GBBLMNUZIPPTEC-UHFFFAOYSA-N 239.340 2.509 30 20 BFED C=C(CC)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 1528253461 JUOWPDVVTKOIKQ-CHWSQXEVSA-N 233.286 2.764 30 20 BFED CC(=O)/C=C/C1=C(C)[C@@H](O)CCC1(C)C 14487660 LICNQDPDQQOXCU-FYJFLYSWSA-N 208.301 2.629 30 20 BFED biogenic,in-vitro C=CCN(CC(=O)O)Cc1ccc(C(C)C)cc1 32102944 WVDABQZJSKNBFX-UHFFFAOYSA-N 247.338 2.883 30 20 BFED CCC[C@H](C#N)NC(=O)CCc1ccccc1C 51967790 SEMXGZLRGGAPDD-CQSZACIVSA-N 244.338 2.736 30 20 BFED C#CCN(CC)[C@@H](C)c1cccc(OC)c1 52705398 XBDPAJFPEBEQJL-LBPRGKRZSA-N 217.312 2.711 30 20 BFED CN(C(=O)c1cccs1)c1ccc(C#N)cc1 61954835 DBJDETXYKMTATD-UHFFFAOYSA-N 242.303 2.896 30 20 BFED C#CCNc1cc(C(F)(F)F)ccc1F 62656377 PELISUBCFGFXSC-UHFFFAOYSA-N 217.165 2.890 30 20 BFED C#Cc1cccc(NC(=O)N[C@H]2CC=CCC2)c1 77186797 FXMBHKRMSATNSN-ZDUSSCGKSA-N 240.306 2.898 30 20 BFED Cn1cc(CCSc2ccc(C#N)cc2)cn1 77491227 HDKASBBOFMRKOQ-UHFFFAOYSA-N 243.335 2.627 30 20 BFED C[C@H]1CCC[C@@H](OC(=O)C(C)(C)C#N)C1 77533112 NKXZOGGHXDTBRD-VHSXEESVSA-N 209.289 2.658 30 20 BFED Cc1ccc([C@H](C)NCC2(CC#N)CC2)o1 83853888 VRAKRGGNKIPLDP-NSHDSACASA-N 218.300 2.933 30 20 BFED C[C@@H]1CCC[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)C1 85431766 MKPMPRNKPHNLMW-WOPDTQHZSA-N 236.359 2.867 30 20 BFED Cn1ccc(CNc2cccc(C#N)c2)c1 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RUFNKGWSVWSWFH-DMDPSCGWSA-N 235.327 2.694 30 20 BFED CC/C=C(\C)C(=O)N[C@H](C#N)C1CCCC1 1353575692 NFRPTFJLLRPXPN-GCZGVDRJSA-N 220.316 2.541 30 20 BFED C=C1CCN(C(=O)NC[C@@H]2CCC[C@H]2C)CC1 1355323531 YCKMKGJCHDBMPZ-OLZOCXBDSA-N 236.359 2.784 30 20 BFED CCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 1517855468 JQGWNJHWXSCMIB-MNOVXSKESA-N 215.312 2.821 30 20 BFED C=CC[C@H](Sc1ccc(C)cn1)C(=O)O 1588758373 FIRDCOGYOVWCLM-VIFPVBQESA-N 223.297 2.511 30 20 BFED CC[C@@H](C#N)C(=O)Nc1ccc2[nH]ccc2c1 1624015597 BQFXGPIAFYTKLN-VIFPVBQESA-N 227.267 2.656 30 20 BFED C=C[C@H]1CCCN(CCC(C)(C)CC(=O)O)C1 1776150532 VRVUNWJOLYYTJK-LBPRGKRZSA-N 239.359 2.775 30 20 BFED N#Cc1cccc(NC(=O)c2cccc(C#N)c2)c1 3518745 MWTSBSHOZOIGJM-UHFFFAOYSA-N 247.257 2.682 30 20 BFED C[C@@H](NCc1ccc(C#N)cc1)c1ccccn1 20123411 RGUYWCKXLKAWCO-GFCCVEGCSA-N 237.306 2.804 30 20 BFED N#Cc1cc(NC(=O)C(F)(F)F)ccc1Cl 34446582 GXSKNQLUFBHSMF-UHFFFAOYSA-N 248.591 2.712 30 20 BFED CCN(C(=O)c1ccc(C#N)cc1)C1CCCC1 35208220 ZUQCAXITHTXSLZ-UHFFFAOYSA-N 242.322 2.963 30 20 BFED N#Cc1cccc(CNc2ccccn2)c1 37489182 URACBZIVXIPNTH-UHFFFAOYSA-N 209.252 2.565 30 20 BFED C#CCN1CCC(Cc2ccccc2)CC1 38974669 HZWGCFCMXOQHTM-UHFFFAOYSA-N 213.324 2.574 30 20 BFED CC[C@@H](C#N)NC(=O)c1ccc(F)cc1Cl 40351045 OJFBTPUGXBAVFW-QMMMGPOBSA-N 240.665 2.511 30 20 BFED CC[C@H](C#N)Sc1nc2ccccc2[nH]1 43557518 MPAFXQLUNYDFFS-MRVPVSSYSA-N 217.297 2.957 30 20 BFED N#C[C@H](C(=O)/C=C/c1ccco1)c1ccccn1 46439267 XTFHQEVBNFYXTR-SYTKJHMZSA-N 238.246 2.564 30 20 BFED CCCCCNC(=O)NCc1ccc(C#N)cc1 47577987 DVCZRUQUHOIEJR-UHFFFAOYSA-N 245.326 2.548 30 20 BFED N#Cc1cccc(OCCOC2CCC2)c1 50520501 FVHLXKKCJRPOAN-UHFFFAOYSA-N 217.268 2.506 30 20 BFED COC[C@@H](C)Oc1ccc(C#N)c(Cl)c1 70207949 KDTHYYGHSBRVCU-MRVPVSSYSA-N 225.675 2.625 30 20 BFED C=CCCC(=O)Nc1ccc(CCN(C)C)cc1 76158078 ZGPCHGZEDNQTPZ-UHFFFAOYSA-N 246.354 2.695 30 20 BFED N#C[C@@H]1CCCN(C(=O)CCC2CCCC2)C1 79825749 ABEXCWABGDPSMW-ZDUSSCGKSA-N 234.343 2.719 30 20 BFED C#CCCN(Cc1cccs1)C(C)C 82493890 KVSNYLOAXADRAU-UHFFFAOYSA-N 207.342 2.982 30 20 BFED N#Cc1csc(C(=O)NC[C@H]2CC=CCC2)c1 84087127 JOXCMMOHPADKMR-JTQLQIEISA-N 246.335 2.706 30 20 BFED CC1(C)CCC[C@H]1Nc1ccc(C#N)cn1 86831393 DDSGXRBKPKWZJN-LLVKDONJSA-N 215.300 2.944 30 20 BFED CN(CC[C@@H]1CCCO1)c1ccc(C#N)cc1 87248334 QQKXMJDYNFZCDH-AWEZNQCLSA-N 230.311 2.564 30 20 BFED CC(C)(C#N)CCn1cnc2ccccc21 87595767 PWSXOGYFPQSWKB-UHFFFAOYSA-N 213.284 2.976 30 20 BFED COc1ccc(CN2CCC[C@@H]2C)cc1C#N 87833195 ZLCKGOZKUWGAFK-NSHDSACASA-N 230.311 2.551 30 20 BFED COc1cccc([C@@H](C)NCCCC#N)c1 88162482 BLHBKCYNRLXZNS-LLVKDONJSA-N 218.300 2.650 30 20 BFED CC#CCN[C@H](C)c1cccc(OCC)c1 90919531 GEHZTVDQMROJEN-GFCCVEGCSA-N 217.312 2.759 30 20 BFED CCC[C@@H](C#N)NC(=O)c1c(C)cccc1C 92005867 DBROWPMMSCOFSO-LBPRGKRZSA-N 230.311 2.726 30 20 BFED CCOc1cc(NC[C@@H](C)C#N)ccc1[N+](=O)[O-] 92658609 ILODCNPXXLPBJS-VIFPVBQESA-N 249.270 2.565 30 20 BFED C=CC[C@@H](C)NC(=O)c1cc(C)n(CC)c1C 116854238 ASDBWXLZFGIJFK-SNVBAGLBSA-N 234.343 2.819 30 20 BFED C=CC[C@H](C)NC(=O)N(C)Cc1ccccc1 116971366 KCHIWFOHWMITQO-LBPRGKRZSA-N 232.327 2.793 30 20 BFED C#CCCCCNC(=O)c1ccc(F)cc1C 119484823 VKVDOEPPUFIHHC-UHFFFAOYSA-N 233.286 2.667 30 20 BFED C=CCCS(=O)(=O)N[C@H](C)CCC(C)(C)C 120741971 WHDAEUVLGRNKET-LLVKDONJSA-N 247.404 2.697 30 20 BFED C#CCCCOC(=O)c1cnn(CCCC)c1C 122069615 DZQRHFLVGJXNGK-UHFFFAOYSA-N 248.326 2.562 30 20 BFED CC#CCCNCc1cc(Cl)cs1 125562959 AJZKVLLHSJQUNQ-UHFFFAOYSA-N 213.733 2.905 30 20 BFED C=C(C)CN[C@@H]1C[C@@H](OC)C1(CC)CC 130807792 OZZPOCGFAQFYCK-VXGBXAGGSA-N 211.349 2.746 30 20 BFED C[C@@H]1CN(C(=O)c2cccc(C#N)c2)CC[C@H]1C 132163471 VHWAAYJNJRTEBA-VXGBXAGGSA-N 242.322 2.676 30 20 BFED CCN(CC#N)C(=O)CCCSC(C)(C)C 132951896 FTLRODHASJVEIZ-UHFFFAOYSA-N 242.388 2.670 30 20 BFED Cc1cc(SCCN(C)C)ccc1C#N 133545049 KQLMMNKLUKRKKH-UHFFFAOYSA-N 220.341 2.520 30 20 BFED CC[C@@H](NCc1ccc(C#N)cc1F)C1CC1 151160988 WYVBPVIGWLWQOF-CQSZACIVSA-N 232.302 2.976 30 20 BFED CCOc1ccc(OC[C@@H](C#N)CCC#N)cc1 152938736 KEBHMUYMKKSAJG-GFCCVEGCSA-N 244.294 2.908 30 20 BFED CCN(CC)/C(N)=N/CCc1c(C)cccc1C 153438257 ZDRAHLIYKXIANV-UHFFFAOYSA-N 247.386 2.502 30 20 BFED CC#CCNC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 154425813 PINFRUDOJOLALN-DZGCQCFKSA-N 243.350 2.956 30 20 BFED CC#CCCOc1ccc(C(C)=O)c(F)c1 154876105 MTDJTCQKKLUELS-UHFFFAOYSA-N 220.243 2.821 30 20 BFED C#CCCCCNC(=O)N(C)CC1CCCC1 154896040 JLLNYNOEJJTIMR-UHFFFAOYSA-N 236.359 2.622 30 20 BFED CC#CCCSc1nncn1-c1ccccc1 155058351 AFBQLPZKRBNYFH-UHFFFAOYSA-N 243.335 2.773 30 20 BFED CC#CCN(C)Cc1ccc(OC(F)F)cc1 157365597 NAUSBERPVAMKEK-UHFFFAOYSA-N 239.265 2.743 30 20 BFED C=C(Cl)CN[C@H](C)c1csc(C)n1 161735374 IDBZIXJDSQWAFJ-SSDOTTSWSA-N 216.737 2.855 30 20 BFED C=CCCN[C@@H](C)c1ccc2c(c1)OCCO2 163841866 WGTVWUCPFHAJLE-NSHDSACASA-N 233.311 2.685 30 20 BFED C#CCCOC(=O)C1(c2ccc(Cl)cc2)CC1 170718000 OGUYZYUUGHTMEJ-UHFFFAOYSA-N 248.709 2.938 30 20 BFED C[C@H]1CCCC[C@H]1C/N=C(\N)Nc1ccccn1 170910496 XQTTVCFFOIVRCB-RYUDHWBXSA-N 246.358 2.635 30 20 BFED C=CCNC(=O)c1ncoc1-c1ccc(C)cc1 172925362 PMBBRFJGAOVNLK-UHFFFAOYSA-N 242.278 2.566 30 20 BFED Cc1cccc(NC(=O)C#Cc2ccccc2)c1 177783962 GXUMVLIWBBNEGI-UHFFFAOYSA-N 235.286 2.985 30 20 BFED C#CCCCCC(=O)Nc1ccccc1F 179612064 JGFQPYGWFYXPNE-UHFFFAOYSA-N 219.259 2.958 30 20 BFED Cc1cccc(C)c1CC(=O)N(C)[C@@H](C)CC#N 180264897 JOHXMMWLKMXMKJ-ZDUSSCGKSA-N 244.338 2.607 30 20 BFED C#CCCCCC(=O)OCC(=C)Br 180613264 SFZOSVICEDJYKK-UHFFFAOYSA-N 245.116 2.632 30 20 BFED C[C@@H](c1nc2ccccc2o1)N(C)CCC#N 181141300 XWPJVLIEFOXZAD-JTQLQIEISA-N 229.283 2.734 30 20 BFED C[C@@H](C#N)CNC(=O)N1CCC[C@@H]1C1CCCC1 182858991 AMBCTELHMIHRSK-WCQYABFASA-N 249.358 2.510 30 20 BFED CC#CCCCC(=O)N1CCC[C@H](C)[C@@H]1C 185657746 OCVRARIXWYTDSX-STQMWFEESA-N 221.344 2.827 30 20 BFED C=CCC1(C(=O)NC[C@@H]2CCCS2)CCC1 189243925 UKKBIKQLLAXSCN-NSHDSACASA-N 239.384 2.745 30 20 BFED C#CCCCC(=O)NC[C@@H]1CCCC[C@@H]1C 192090069 URQFRDPNZYRRRO-STQMWFEESA-N 221.344 2.732 30 20 BFED C#CCCCNCCCc1ccc2c(c1)CCO2 193300044 IUYSZNVTKVKKOC-UHFFFAOYSA-N 243.350 2.557 30 20 BFED C=CCN(CC=C)C(=O)c1coc(C2CCC2)n1 193950344 GBSUSJSXJVTRAQ-UHFFFAOYSA-N 246.310 2.756 30 20 BFED C[C@H]1CC(=O)Oc2cc(OCCCC#N)ccc21 194666392 HZNQUYFUVPBBAQ-JTQLQIEISA-N 245.278 2.782 30 20 BFED C=CCCNc1nc(CC)nc(Cl)c1C 229329724 IYLRPBFKINPNKA-UHFFFAOYSA-N 225.723 2.989 30 20 BFED C#C[C@H](CC)NC(=O)c1ccc(Cl)c(C)c1 234027187 RISGIKVFBWTKLF-LLVKDONJSA-N 235.714 2.790 30 20 BFED Fc1ccc(C=NOCC2CCC2)cc1 254950982 GSBMXVFCXPGZSR-UHFFFAOYSA-N 207.248 2.976 30 20 BFED C=CCCCCNCc1ccc(C(=O)O)cc1 261554540 OXHLGSWVVSRCNI-UHFFFAOYSA-N 233.311 2.831 30 20 BFED N#CCCN(CCc1ccc(F)cc1)C1CC1 265454423 TZPIYQTZWFLUNZ-UHFFFAOYSA-N 232.302 2.746 30 20 BFED C=CCCCCCN(C)CCc1cnn(C)c1 265798559 BKMWYYXJVUKCIO-UHFFFAOYSA-N 235.375 2.641 30 20 BFED C=C(Cl)CNC(=O)c1cnc(CCC)s1 266258902 WCPLGPRHQGAAEZ-UHFFFAOYSA-N 244.747 2.578 30 20 BFED CCOCCC1(CNc2cccc(C#N)n2)CC1 269756946 VIOLBBJLZIDHPQ-UHFFFAOYSA-N 245.326 2.572 30 20 BFED C#CCCCNC1(c2cccc(OC)c2)CC1 271681942 GLOVTMRWLIHSCE-UHFFFAOYSA-N 229.323 2.687 30 20 BFED C=CCN1CC[C@@H](COc2ccccc2)C1 272541666 JRZPWQAHWVGZLZ-CYBMUJFWSA-N 217.312 2.573 30 20 BFED C=CCCC(=O)Nc1ccccc1NCCOC 276660739 WENVPHJKLJTYEF-UHFFFAOYSA-N 248.326 2.650 30 20 BFED COCc1cccc(NC(=O)CC(C)(C)C#N)c1 278195530 FLKADBVHYMSSFZ-UHFFFAOYSA-N 246.310 2.711 30 20 BFED CC#CCNc1cccc(NC(=O)N(C)C)c1C 280124285 XDUFIAOZMJOTFB-UHFFFAOYSA-N 245.326 2.524 30 20 BFED C=CC[C@@H](CC)NCc1cc2c(cc1O)OCO2 281487395 VUFLMLXUNJRFPU-LLVKDONJSA-N 249.310 2.565 30 20 BFED C=CC[C@H](C)NC1CCC(c2nc(C)no2)CC1 284977888 GAKCZQITXMGXQC-PKSQDBQZSA-N 249.358 2.958 30 20 BFED C#CCN(CC)C(=O)c1cc(C(C)C)oc1C 285083622 KNLWSLQQHRDJJA-UHFFFAOYSA-N 233.311 2.807 30 20 BFED Cc1nsc(N2CC[C@H](C)[C@H](C)C2)c1C#N 286065322 ARTBRDHUUCDZEH-DTWKUNHWSA-N 235.356 2.806 30 20 BFED COCC1(COc2ccccc2C#N)CCC1 291841906 JEBFKUWNJAEFGG-UHFFFAOYSA-N 231.295 2.754 30 20 BFED CSC[C@@H]1CCCN(c2ccnc(C#N)c2)C1 292157019 CTGVOXBKGKIWPC-LLVKDONJSA-N 247.367 2.533 30 20 BFED CSC[C@@H]1CCCN(c2ncccc2C#N)C1 292192363 GEBHKUWQOVBBSX-LLVKDONJSA-N 247.367 2.533 30 20 BFED C=CCC(CC=C)C(=O)NC(C)(C)COCC 293774411 BCPOUJJFUZHYHI-UHFFFAOYSA-N 239.359 2.686 30 20 BFED Cc1nc(NCCC(C)(F)F)ccc1C#N 294231253 OGZNOXYZQJTLAB-UHFFFAOYSA-N 225.242 2.719 30 20 BFED C=CCC(C)(C)CNC(=O)c1cc(C(C)C)[nH]n1 294355462 UWOAIYJEGWEHHN-UHFFFAOYSA-N 249.358 2.865 30 20 BFED CCN(CC#N)C[C@@H](C)c1cc(F)cc(F)c1 294951411 VQPUUDTULUIMLR-SNVBAGLBSA-N 238.281 2.914 30 20 BFED CC1(C)C[C@@H](O)CCN(c2ccc(C#N)cc2)C1 296026106 ORVKWZKCJAEHKZ-AWEZNQCLSA-N 244.338 2.546 30 20 BFED C=CC[C@@H](CC)NC(=O)NC1(CC)CC1 298547016 ZDCQXTAQUGYEST-SNVBAGLBSA-N 210.321 2.583 30 20 BFED CC(C)(C)CNC(=O)/C=C/c1ccc(C#N)cc1 299123136 GRYLXOPNMNSDJE-CMDGGOBGSA-N 242.322 2.734 30 20 BFED CCN(C[C@H](C)C#N)c1ccnc(C(C)(C)C)n1 301567987 WYRAXJCOAQPIFU-LLVKDONJSA-N 246.358 2.760 30 20 BFED C=CCNN=Cc1ccsc1Cl 308081172 IYWHCWMAHFUXHU-UHFFFAOYSA-N 200.694 2.511 30 20 BFED C#C[C@H](N[C@H](C)Cc1ccsc1)C(C)C 309087674 ZXSDXPWJUWUIEQ-YPMHNXCESA-N 221.369 2.927 30 20 BFED C=CCCCCNCc1c(C)nn(C)c1Cl 309323340 QPXHUTLLWWKMIH-UHFFFAOYSA-N 241.766 2.828 30 20 BFED C#CCCCCNc1cc(C(C)(C)C)ncn1 310102417 YLUWWTXEEIAJDW-UHFFFAOYSA-N 231.343 2.990 30 20 BFED Cc1nc(N[C@H](C)c2cccnc2)ccc1C#N 311211213 PHHDQBBSVZVGOD-LLVKDONJSA-N 238.294 2.830 30 20 BFED Cc1ccc(N=C(O)[C@H]2C[C@H]2C2CC2)c(O)n1 329682196 SIKDCTWNJXGGLV-UWVGGRQHSA-N 232.283 2.730 30 20 BFED C[C@@H]1C(=O)CC[C@@H]1C/C(O)=N/[C@@H]1CCC[C@@H]1C#N 330011228 IPYVVJYVMDBOSJ-IRCOFANPSA-N 248.326 2.640 30 20 BFED CC[C@H](/N=C(/O)c1[nH]ccc1C)[C@@H]1CCCO1 331219763 IWBCRVFDFDYULP-QWRGUYRKSA-N 236.315 2.585 30 20 BFED CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc(C#N)cs1 335715337 DSNRLJVAJOZZHK-MWLCHTKSSA-N 248.351 2.880 30 20 BFED CC1(C)CC(CC(=O)N2CCC(C)(C#N)CC2)C1 335739850 XWBCGGZFFGIHAN-UHFFFAOYSA-N 248.370 2.965 30 20 BFED Cc1cc(C)n(Cc2ccc(CC#N)cc2)n1 335865366 BJAYQYOQORWWNB-UHFFFAOYSA-N 225.295 2.614 30 20 BFED C[C@H]1CN(CCC2(C#N)CCCCC2)CCO1 336278530 LXCPHVQJHOEQLO-ZDUSSCGKSA-N 236.359 2.571 30 20 BFED C[C@H]1CCCC[C@@H]1CC(=O)NC1(C#N)CCC1 336574266 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236.359 2.867 30 20 BFED COc1ccc(O)c(/C=N\[C@@H]2CC=CCC2)c1 255584232 IOTXDWFDWUHEMH-DYTQJMLRSA-N 231.295 2.928 30 20 BFED Cc1noc(C)c1C/N=C\c1ccccc1O 255725394 VVQBRLSFRUMMCI-AUWJEWJLSA-N 230.267 2.616 30 20 BFED COc1cccc(CN(C)CC(C)(C)C#N)c1 258982061 WMJUPJLTQJENDO-UHFFFAOYSA-N 232.327 2.677 30 20 BFED C=C1CCN(C(=O)c2ccc(OC)cc2F)CC1 264169990 LOPZKUAOKDVAHZ-UHFFFAOYSA-N 249.285 2.627 30 20 BFED C=C(C)CSc1ccc(Cl)nn1 267057250 PXKKMLJZYWDAEB-UHFFFAOYSA-N 200.694 2.798 30 20 BFED C#CCN(CC)C(=O)[C@@H]1C[C@H]1c1sccc1C 269667756 YHWBMDALGBOJBR-VXGBXAGGSA-N 247.363 2.642 30 20 BFED C=CCCCN[C@@H](CCOC)c1ccco1 273214346 CAUAHZRVMKRJPQ-LBPRGKRZSA-N 223.316 2.913 30 20 BFED C=CCCCCNc1ccc(C(=O)NCC)cn1 274470901 MKXAVMUQGSOSPE-UHFFFAOYSA-N 247.342 2.600 30 20 BFED C=CC[C@@H]1N(C(=O)c2cn[nH]c2)CCCC1(C)C 278123912 LZJVBFDKRIJEHN-LBPRGKRZSA-N 247.342 2.617 30 20 BFED C=CCN1CC[C@H](Nc2ccc(C)cc2C)C1=O 281389243 ZKIWSWLASQPYJD-AWEZNQCLSA-N 244.338 2.502 30 20 BFED CC(C)c1ccc2occ(C(=O)NCC#N)c2c1 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2.585 30 20 BFED C=CCNc1cc(Cl)ccc1C(=O)NCC 309426351 FIPKYMPTYRGGHG-UHFFFAOYSA-N 238.718 2.688 30 20 BFED C=C[C@H](COC)N[C@H](C)c1sc(C)nc1C 309980068 VUEQMHYYQKMNFY-MWLCHTKSSA-N 240.372 2.612 30 20 BFED C=C(CC)CN[C@H]1CCOC2(CCC2)C1 313491765 LMDWJOLTSKNRMG-LBPRGKRZSA-N 209.333 2.644 30 20 BFED Cc1cc(F)ccc1C(=O)NCC(C)(C)CC#N 315620705 PEJNQDKKRKTTPE-UHFFFAOYSA-N 248.301 2.804 30 20 BFED Cc1ccc(N=C(O)[C@@H]2C[C@@]23CCOC3)cc1O 329317149 HRMLITHUJXCQSM-SMDDNHRTSA-N 247.294 2.715 30 20 BFED CSC1(C(O)=Nc2ccnnc2C)CCC1 330137545 NWZWQYIGUFJEQR-UHFFFAOYSA-N 237.328 2.659 30 20 BFED CCC1(C(=O)NCC2(C#N)CCC2)CCCC1 331962155 KJZSJAMUGRRTHX-UHFFFAOYSA-N 234.343 2.767 30 20 BFED C=C(C)CNC(=O)Nc1cnc2c(c1)CCCC2 332660362 CHCXTSDEVOAMNO-UHFFFAOYSA-N 245.326 2.658 30 20 BFED C=CCNC(=O)c1ccc(Cl)c2ncccc12 334178308 CSSNIAMJJDKKLB-UHFFFAOYSA-N 246.697 2.804 30 20 BFED C=C[C@H](C)NC(=O)c1cc(C)c(C)s1 334388862 RCUGHDHQLYFWQT-QMMMGPOBSA-N 209.314 2.669 30 20 BFED C=C(C)CN(C)C(=O)Nc1cc2c(cn1)CCC2 334720173 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C=CCN[C@@H](c1ccccc1)C1CCOCC1 378464912 DZVSYCVXFXGQRM-HNNXBMFYSA-N 231.339 2.930 30 20 BFED C=C(Cl)CSc1nc(C(=O)O)cs1 379141771 FVKXMPMYZKWZPK-UHFFFAOYSA-N 235.717 2.686 30 20 BFED C=C[C@@H](COC)N[C@H](C)CSC(C)(C)C 380212801 ZVPIOYIHMQHKSO-MNOVXSKESA-N 231.405 2.697 30 20 BFED C=CCOCCN[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 382342475 CRNUQINQJIMPHO-ZOBORPQBSA-N 223.360 2.603 30 20 BFED CC[C@H](Nc1nccc(C#N)n1)C1CCCC1 382780891 GNUWAJOXGKYORV-LBPRGKRZSA-N 230.315 2.729 30 20 BFED Cn1cc(CNCC2CCCCCC2)cc1C#N 389548264 PASMGTGGMNLBRK-UHFFFAOYSA-N 245.370 2.957 30 20 BFED C=C[C@H](COC)N[C@@H](CC)c1cccs1 389899185 BVLWAULFNJGFNO-MNOVXSKESA-N 225.357 2.990 30 20 BFED CC[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 394238116 WRUUCSSHDYWZEC-RTWAVKEYSA-N 248.370 2.867 30 20 BFED CC(C)[C@@]1(C)C[C@@H]1Nc1cccnc1C#N 397159846 SEBDLDXXLDIHQH-QWHCGFSZSA-N 215.300 2.800 30 20 BFED CC1(C)C(C(=O)N2CCC[C@@H](CC#N)C2)C1(C)C 397566925 CTKSLJQTICLSQA-NSHDSACASA-N 248.370 2.821 30 20 BFED 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C=CCN(C(=O)C[C@@H]1CC[C@@H]2C[C@H]12)C1CC1 450392822 UFRVJMLTFZEFQA-MDZLAQPJSA-N 219.328 2.600 30 20 BFED C=C(C)CN(C)C(=O)[C@H](CC)CC(F)(F)F 450464628 AJIHSIPCCCLVRJ-SECBINFHSA-N 237.265 3.000 30 20 BFED C[C@@H]1CC[C@H](C(=O)NCC(C)(C)C#N)C[C@H]1C 450523555 HZNQTDASKOSUCZ-UTUOFQBUSA-N 236.359 2.725 30 20 BFED C=CC(C)(C)C(=O)NC[C@@H]1CCCC1(F)F 452818314 KKJMSLNMDZUXRJ-VIFPVBQESA-N 231.286 2.750 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2cc(F)ccc21 453362776 PNTKMEVXOHEXPE-KFWWJZLASA-N 247.313 2.746 30 20 BFED C=CCC[C@@H](CO)NC(=O)[C@H](CCC)C(C)C 456757834 BKMBDUHHSJQRNB-QWHCGFSZSA-N 241.375 2.502 30 20 BFED C=C(CC)CNC(=O)CCNc1ccccc1C 456832023 WDQLJKNXIHEDBH-UHFFFAOYSA-N 246.354 2.879 30 20 BFED CCC1(C(=O)NCC(C)(C)CC#N)CCC1 457989766 GCMRFJCPKIGNPR-UHFFFAOYSA-N 222.332 2.623 30 20 BFED CC#CCCNC(=O)NC[C@H]1CCCC1(C)C 458662327 QWWKKTBBYNPEPM-GFCCVEGCSA-N 236.359 2.525 30 20 BFED C#CCN(C(=O)CCCC(C)=O)C1CCCCC1 491022369 QNCFCJHZILCPKZ-UHFFFAOYSA-N 249.354 2.540 30 20 BFED C#C[C@H](C)N(C)C(=O)[C@H](C)CC1CCCC1 491415163 GZJYRQLFECYRPI-NEPJUHHUSA-N 221.344 2.683 30 20 BFED C#CCN(C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 491820354 RBPOWDUVRFNLRR-BFHYXJOUSA-N 248.370 2.620 30 20 BFED CC1(C)C[C@]1(C#N)NC(=O)/C=C/C1CCCC1 493614158 QBJUPLHOBFTITO-HSBSLETESA-N 232.327 2.541 30 20 BFED CCOc1c(C#N)cccc1OC(C)C 521400356 GYWLYHCVYHITQG-UHFFFAOYSA-N 205.257 2.744 30 20 BFED CC1(C)CC([C@H]2C[C@H]2C=O)CC(C)(C)O1 521401457 YOCDZAFGWFJUHU-ONGXEEELSA-N 210.317 2.805 30 20 BFED Cc1cc(CN(CCC#N)CC2CC2)ccn1 527532958 FOBZGUBNIFHVQS-UHFFFAOYSA-N 229.327 2.516 30 20 BFED C=CCNC(=O)Cc1c(CC)oc2ccccc12 527642543 GQJAKOYOPJSFOO-UHFFFAOYSA-N 243.306 2.840 30 20 BFED C=C(C)C(C)(C)C(=O)NCC1CC=CC1 529707252 REFCEQCJVRZSLZ-UHFFFAOYSA-N 207.317 2.671 30 20 BFED CC#CCNC(=O)NCc1ccc(C(C)C)cc1 535686129 RAHLLQKIHNZOQS-UHFFFAOYSA-N 244.338 2.633 30 20 BFED CC(C)N(Cc1ccc(C#N)cn1)C1CCC1 570938300 RENJUIWHYIUXTB-UHFFFAOYSA-N 229.327 2.716 30 20 BFED Cc1ccc([C@H]2OCCC[C@@H]2NCCC#N)cc1 583138763 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BFED C=CC1CCN(C(=O)NCC2=CCCC2)CC1 661965174 YPRMLRVZAHJPJX-UHFFFAOYSA-N 234.343 2.704 30 20 BFED C=CC[C@H]1CCCN(c2nc(CC)ns2)C1 664255657 MBXGKLPGTFWTMV-JTQLQIEISA-N 237.372 2.893 30 20 BFED C=CC[C@H]1CCCN(c2ccc(C)nn2)C1 664256820 RJPRBQXLAHGQFU-LBPRGKRZSA-N 217.316 2.578 30 20 BFED C=C[C@@H](C)NC(=O)C[C@H](C)C(=O)c1ccccc1 674952012 NKLJBVYHZREMRJ-NWDGAFQWSA-N 245.322 2.586 30 20 BFED COCC#CCN[C@H](C)c1cc2ccccc2o1 680405900 PEOVGCSUXSAMFL-GFCCVEGCSA-N 243.306 2.733 30 20 BFED C=CCN(C)C(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 681674299 KJSRQNCQNCLULX-AAEUAGOBSA-N 247.338 2.980 30 20 BFED C=CC[C@@H](CC)NC(=O)c1cnc(CC)s1 684938729 GTJDVOUNRNXOKC-SECBINFHSA-N 238.356 2.790 30 20 BFED C[C@@H](CC(C)(C)C#N)NC[C@H]1CCC=CO1 695861435 AFHVQUOLVIZJAP-NWDGAFQWSA-N 222.332 2.597 30 20 BFED C#CCCCCC(=O)NC1(CC(C)C)CC1 706115603 LEWNVXCBCOLEAD-UHFFFAOYSA-N 221.344 2.875 30 20 BFED C#CC1CCN(C(=O)C2CCC=CCC2)CC1 718136846 YTZBITBXVMZCHO-UHFFFAOYSA-N 231.339 2.605 30 20 BFED CCC/C=C\C(=O)[C@@H](C#N)c1nc(C)cs1 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30 20 BFED C#C[C@@](C)(CC)NC(=O)CCCC(F)(F)F 854700243 QHPSGSNCDFEGSB-JTQLQIEISA-N 235.249 2.637 30 20 BFED C=CCCNC(=O)CCCc1ccsc1 855383037 MOBTUBQJNJJFKU-UHFFFAOYSA-N 223.341 2.763 30 20 BFED C=CCCONC(=O)CCCc1cccs1 856028950 SWPXUMZPOMLNFU-UHFFFAOYSA-N 239.340 2.695 30 20 BFED CC(CCCCC#N)=NN=c1cc[nH]c(C)c1 863160586 KVVRUKSLPUZJQU-UHFFFAOYSA-N 230.315 2.684 30 20 BFED C#CCCCCCCNC[C@H]1CCOC[C@@H]1C 877519498 JZVDVDYXCNPDIB-LSDHHAIUSA-N 237.387 2.832 30 20 BFED C=CCCC[C@H](C)NC(=O)N1CC[C@H](CF)C1 883555200 SIUHWJQQYQIJOK-NWDGAFQWSA-N 242.338 2.732 30 20 BFED C=C(C)COC(=O)c1c[nH]cc1C1CC1 885176389 WVWSTTRLTADDQU-UHFFFAOYSA-N 205.257 2.625 30 20 BFED C#CCSCC(=O)N[C@@H](CC)c1ccccc1 887955844 PBHNZWHDWQHPKC-ZDUSSCGKSA-N 247.363 2.620 30 20 BFED Cc1cc(C#N)nc(N[C@@H]2CCCSC2)c1 892811100 CONRTTXZUNEZPM-SNVBAGLBSA-N 233.340 2.569 30 20 BFED C=CC[C@H]1CCCN(c2nccs2)C1 894522070 CDFYIFOJKNBVNL-JTQLQIEISA-N 208.330 2.936 30 20 BFED C=C1CC(c2noc(-c3ncccc3C)n2)C1 896884161 WKFVSXLLJNCNKV-UHFFFAOYSA-N 227.267 2.874 30 20 BFED N#Cc1ccc(CNc2cnn(C3CCC3)c2)o1 897875208 DADHCXPXSAPHFD-UHFFFAOYSA-N 242.282 2.685 30 20 BFED C#Cc1ccc(N[C@@H]2CCOC[C@H]2C)cc1 898497854 DCRIXECHPRCSOS-BXUZGUMPSA-N 215.296 2.505 30 20 BFED C#CCCCON=C(C)c1ccc(F)cc1 902855894 BGRSCTPRYATAMD-UHFFFAOYSA-N 219.259 2.980 30 20 BFED C=CCOCCOc1cc(C(C)=O)ccc1F 902857050 FTVOQXDGQFORFI-UHFFFAOYSA-N 238.258 2.610 30 20 BFED C=C[C@H](C)N[C@H](C)c1cccc(COC(C)=O)c1 903111541 WCLBRGKEZYETPX-NWDGAFQWSA-N 247.338 2.975 30 20 BFED C=CC[S@@](=O)Cc1ccc(OC(F)F)cc1 905175729 NELFLVCSHUODKD-MRXNPFEDSA-N 246.278 2.723 30 20 BFED C=C1CN(C(=O)Cc2coc3cc(C)ccc23)C1 912445827 IHXOFWBAHXAIPA-UHFFFAOYSA-N 241.290 2.682 30 20 BFED C=CCN(CCC(=O)OCCCC)C(C)C 917071041 MXZFUYXXVQQGBQ-UHFFFAOYSA-N 227.348 2.616 30 20 BFED Oc1cccc(C=Nc2ccccc2F)c1O 920945763 DFPXQKFASIWHGT-UHFFFAOYSA-N 231.226 2.988 30 20 BFED C#CCCCOC(=O)c1ccc(C(C)=O)c(C)c1 923382869 STBZZOUEAWOPRB-UHFFFAOYSA-N 244.290 2.768 30 20 BFED C[C@H]1CC[C@@H](C)[C@@H]1NCC(C)(C)CC#N 926570526 ZJKRRXCCGSFOEO-GDNZZTSVSA-N 208.349 2.950 30 20 BFED CC(C)CC[C@@H](CO)N[C@@H](C)CC(C)(C)C#N 926753679 OSKOAJLHECGSOZ-STQMWFEESA-N 240.391 2.701 30 20 BFED CC(C)CN(C)C(=O)Nc1sccc1C#N 931844599 DDRFPPXYRTZIAN-UHFFFAOYSA-N 237.328 2.739 30 20 BFED C=CCCC(CC)=NNc1ccn(C)n1 1116760002 ZUDNIDASLAZOEE-UHFFFAOYSA-N 206.293 2.564 30 20 BFED C[C@H](CC#N)OC(=O)C12CCC(CC1)CC2 1122702858 KKUJOPUPPJXEIG-XSRFYTQQSA-N 221.300 2.802 30 20 BFED C=C(C)CCC(=O)O[C@H](C(F)F)[C@@H]1CCCO1 1122899529 SNRXOPATSJZCBO-ONGXEEELSA-N 248.269 2.699 30 20 BFED C=CCCCOC(=O)Cc1c[nH]c2cnccc12 1324188442 GAMBMWKVDHWBOF-UHFFFAOYSA-N 244.294 2.615 30 20 BFED C[C@H]1[C@H](C)CCCN1C(=O)c1csc(C#N)c1 1324459188 QGFPBEPXPNXNHL-ZJUUUORDSA-N 248.351 2.880 30 20 BFED C=CCC(C)(C)C(=O)N=c1cc(C)[nH]c(C)c1 1326489748 SFKYDOWNFHTPNN-UHFFFAOYSA-N 232.327 2.661 30 20 BFED CC1(C)C[C@@H]1C(=O)OCc1ccc(C#N)s1 1327195096 MNTBEVXXMBCPTC-SNVBAGLBSA-N 235.308 2.709 30 20 BFED CCCCCCCC(=O)NC1(C(C)=O)CC1 1335002722 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88259765 XXIMTFOIUSZTNF-UHFFFAOYSA-N 217.268 2.768 30 20 BFED O=C(NO)c1cc2c(Cl)cccc2s1 96924290 IHGVZTXLHUWVIA-UHFFFAOYSA-N 227.672 2.674 30 20 BFED C=CCOC(=O)CCc1ccc(CC)cc1 96998855 UDQGBLDCOSDVPO-UHFFFAOYSA-N 218.296 2.911 30 20 BFED C=CCS[C@H](C)C(=O)Nc1ccccc1 114756950 WOASCVKDIMRKDJ-SNVBAGLBSA-N 221.325 2.933 30 20 BFED C=C[C@H](C)NCc1ccc(-n2cccn2)cc1 123193721 ZPNBSTWXCXKACG-LBPRGKRZSA-N 227.311 2.536 30 20 BFED CN(CCc1ccccc1)C[C@@H](C#N)CCC#N 133892633 VFSPDYKBROPKBV-OAHLLOKOSA-N 241.338 2.604 30 20 BFED CSCC[C@H](C)Nc1cccc(C#N)n1 135476699 VOUXQPJGHZWZID-VIFPVBQESA-N 221.329 2.507 30 20 BFED N#Cc1ccc(OC(=O)[C@@H]2C[C@H]2C2CC2)c(F)c1 158301635 XFUDRQJEAYFJRC-WDEREUQCSA-N 245.253 2.649 30 20 BFED C=CCN(C)C(=O)CC1CCCCCC1 161402337 SXRHTCNAWRLQMA-UHFFFAOYSA-N 209.333 2.991 30 20 BFED C=CCN(C)C(=O)c1c(Cl)cccc1OC 161923874 TVRVDZVXCIPVOD-UHFFFAOYSA-N 239.702 2.607 30 20 BFED CC#CCCN[C@@H](C)CCc1ccco1 165114567 GLWHTYLMLRSADS-LBPRGKRZSA-N 205.301 2.604 30 20 BFED CC#CCSCc1nc(C(C)(C)C)no1 166635101 ALLNDPBCOHOUFR-UHFFFAOYSA-N 224.329 2.624 30 20 BFED C=CC1CCN(CCCSCC#N)CC1 173891569 HEOWQMNRLTVZQB-UHFFFAOYSA-N 224.373 2.531 30 20 BFED C=CCCCOC(=O)CCc1ccoc1 175981369 FLGWAPKQLWPPIG-UHFFFAOYSA-N 208.257 2.722 30 20 BFED C=CCNC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 176373355 LLDPPJBRSXWJPE-NEPJUHHUSA-N 232.327 2.664 30 20 BFED C[C@@H](c1ccccc1)[C@@H](C)NC(=O)C(C)(C)C#N 177180033 GGYCGEDARNPPLF-VXGBXAGGSA-N 244.338 2.845 30 20 BFED C=C(C)CN(C)Cc1nc(C)c(C)s1 181315841 RXHPVFLFIDCUEG-UHFFFAOYSA-N 210.346 2.768 30 20 BFED C[C@H]1CCCCN(C(=O)c2cc(C#N)cs2)C1 184378714 JNKQZAJRFCBMFD-JTQLQIEISA-N 248.351 2.882 30 20 BFED C[C@H]1CCC[C@@H]1CC(=O)N(CCC#N)CC1CC1 185938171 PMODUUMLFRUXSL-GXTWGEPZSA-N 248.370 2.965 30 20 BFED C[C@@H]1CCC[C@H]1CC(=O)N(CCC#N)CC1CC1 185938186 PMODUUMLFRUXSL-OCCSQVGLSA-N 248.370 2.965 30 20 BFED C#C[C@H](C)NC(=O)c1oc2c(C)cccc2c1C 185999425 YBLZTCUFNZWZKB-JTQLQIEISA-N 241.290 2.801 30 20 BFED C#C[C@H](C)NC(=O)C[C@@H](C)C1CCCCC1 186077168 WKIQYRMFRJHGJZ-NEPJUHHUSA-N 221.344 2.731 30 20 BFED C#CCCCCNC(=O)NCC(C)(C)CC 190572855 NTXICLLYMINQFN-UHFFFAOYSA-N 224.348 2.525 30 20 BFED C[C@@H](OC(=O)CSCC#N)c1ccccc1 192518003 ZFJILVWASIXOGZ-SNVBAGLBSA-N 235.308 2.548 30 20 BFED CN(CC12CC3CC(CC(C3)C1)C2)C(=O)CC#N 216490160 DOZFQIFSXDWSEB-UHFFFAOYSA-N 246.354 2.575 30 20 BFED Cn1cc(CN[C@H]2CCC(C)(C)C2)cc1C#N 232316104 RBUDDEDOEOEZQV-LBPRGKRZSA-N 231.343 2.565 30 20 BFED C#C[C@H](CC)Nc1ccc(C)cc1[N+](=O)[O-] 234043553 RPURVSSDHKKDQT-SNVBAGLBSA-N 218.256 2.727 30 20 BFED CCC(CC)CNC(=O)c1cccc(CC#N)c1 264186075 NLLFCNBLZVIVJT-UHFFFAOYSA-N 244.338 2.919 30 20 BFED C/C=C/C=C/C(=O)N(CCC#N)CC(C)(C)C 264189931 CCIMDMQNMIGKHL-SBIWHPGTSA-N 234.343 2.907 30 20 BFED C#CCCN(C)[C@@H]1CCCN(c2ccccc2)C1 268669000 AAFOQPCFWBGVOU-MRXNPFEDSA-N 242.366 2.611 30 20 BFED C#CCCN1CC[C@H](c2cccc(C)c2)C1 273040779 DVXXGNCMAPAOKV-HNNXBMFYSA-N 213.324 2.808 30 20 BFED C[C@@H]1CCN(c2ncccc2C#N)CC1(C)C 273542267 WYIMRCHHQFWKBJ-LLVKDONJSA-N 229.327 2.826 30 20 BFED 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Cn1cc(NN=C2CCCC(C)(C)C2)cn1 761866993 VDPINXLHJSKHRB-UHFFFAOYSA-N 220.320 2.788 30 20 BFED CC#CCOC(=O)c1cc(Cl)cc(Cl)n1 762941453 OXHZDNIAWCWPBQ-UHFFFAOYSA-N 244.077 2.569 30 20 BFED CO[C@H](C)C(C)=NNc1cccc(C)c1 763105707 NOOFJGVQTAWYSE-LLVKDONJSA-N 206.289 2.818 30 20 BFED C#CCCCN1CC[C@@]2(C1)OCc1ccccc12 770673148 GQALXRSEFSSNCR-INIZCTEOSA-N 241.334 2.531 30 20 BFED C[C@H](C#N)COC(=O)c1cc2ccccc2o1 770936076 HUWGVKXPLNDQAF-SECBINFHSA-N 229.235 2.749 30 20 BFED N#C[C@H](OC(=O)Cc1ccco1)C1CCCCC1 776396059 PYJVXIDSIQPGJH-ZDUSSCGKSA-N 247.294 2.838 30 20 BFED C[C@@H]1C[C@H]1c1ccc(C=NN[C@H]2CCCOC2)o1 780252182 RRRIMPCBQVOFDG-NTZNESFSSA-N 248.326 2.506 30 20 BFED Cc1cccnc1C=NNc1cccc(F)c1 781588673 XXSJVUKDRXHTPO-UHFFFAOYSA-N 229.258 2.975 30 20 BFED C=C[C@](C)(CCOC)C(=O)OC(CC)CC 782443789 QDOLUSIKOIHKPU-CYBMUJFWSA-N 228.332 2.947 30 20 BFED CO[C@@H]1CCCCC1=NNCCC(C)(C)C 782903086 PDFKTFMCKBKHRZ-GFCCVEGCSA-N 226.364 2.957 30 20 BFED C[C@@H]1CCCC[C@@H]1C=NN=c1cc[nH]cc1 783865591 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CC[C@@H]1C[C@H]1/N=C\c1c(O)cccc1OC 797785101 TVHFAIXQZARXOJ-FSJDBVLPSA-N 219.284 2.618 30 20 BFED C#CCC1(C(=O)N[C@@H]2C[C@H]2CC)CCCCC1 798095064 DSECDVVMLMCRBM-CHWSQXEVSA-N 233.355 2.875 30 20 BFED C=CCC1(C(=O)O[C@H](C)C(=O)C2CC2)CCC1 798657168 KLQAKHPDYOPZFA-SNVBAGLBSA-N 236.311 2.644 30 20 BFED C#C[C@@H](NC(=O)C[C@@H](C)CC(C)C)C(C)C 799047006 ODXABHQQYDWNFV-QWHCGFSZSA-N 223.360 2.833 30 20 BFED CC[C@](C)(C#N)C(=O)OCCSC(C)C 803786316 DKOHUZZCCJVIAL-LLVKDONJSA-N 229.345 2.611 30 20 BFED C#C[C@@H](CC)NC(=O)NCCCCCCC=C 805348012 LJRYLNPLDXABEJ-ZDUSSCGKSA-N 236.359 2.834 30 20 BFED C=C[C@](C)(CC)C(=O)OCCOCCCC 805534164 CDZMAGHAJAFZLR-CYBMUJFWSA-N 228.332 2.949 30 20 BFED O=C(O)c1ccc(NN=CCCC2CC2)cc1 807938736 HLJAIZPRXBLRMT-UHFFFAOYSA-N 232.283 2.973 30 20 BFED C#CCN(CC)Cc1ccc2occc2c1 809552567 NKINMBZKNSVBLP-UHFFFAOYSA-N 213.280 2.888 30 20 BFED Oc1ccc2c(c1)CCC2=NOC1CCC1 812237420 ZNNMPUHBAKIFEN-UHFFFAOYSA-N 217.268 2.612 30 20 BFED CC(C)OCCON=C/C=C/c1ccco1 812237784 MCDUHGSTSPVXTA-IQUMWLDCSA-N 223.272 2.720 30 20 BFED COc1ccc(C=NOCC2CC2)c(C)c1OC 814244370 PWIANGASPRZRNW-UHFFFAOYSA-N 249.310 2.773 30 20 BFED CC(=NNc1c(F)cccc1F)c1cc[nH]n1 814852916 UPTYQGURCJVOMM-UHFFFAOYSA-N 236.225 2.524 30 20 BFED COc1ccc(NN=C[C@@H]2CCCOC2)cc1 814885004 INRTWPMJJYJGDA-NSHDSACASA-N 234.299 2.520 30 20 BFED CC(C)C1CCC(C=NNc2cnnn2C)CC1 814983855 QWWMOYMPPMOXLS-UHFFFAOYSA-N 249.362 2.675 30 20 BFED C=CCC(F)(F)C(=O)OCc1c(C)noc1C 815312907 NMOUTZPEBNUCMA-UHFFFAOYSA-N 245.225 2.546 30 20 BFED C#CCCCC(=O)N(C[C@@H]1C[C@H]2CC[C@H]1C2)OC 817035513 UPWWUNPGLGKHNA-IHRRRGAJSA-N 249.354 2.616 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1cc(CC)n(C)n1 817498344 QRXVUHVYZBTNED-CYBMUJFWSA-N 235.331 2.523 30 20 BFED CN(CC(C)(C)C#N)C(=O)[C@@H](F)c1ccccc1 817617793 FLAGKCIRJMCRBE-LBPRGKRZSA-N 248.301 2.705 30 20 BFED Fc1ccccc1NN=C1CCn2cccc21 818274290 GJWKRPRLGHQBSK-UHFFFAOYSA-N 229.258 2.847 30 20 BFED C=CCCC(=O)OC[C@H](C)c1ccccn1 821495273 QCYRLKBMRRHJSK-NSHDSACASA-N 219.284 2.695 30 20 BFED C#C[C@H](C)N(C)C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 834552411 KCDNUWKOORBKJU-IGQOVBAYSA-N 233.355 2.683 30 20 BFED CC(=NOC(C)C)c1ccc(N(C)C)cc1 835004666 UXBIYDQQPYLGRQ-UHFFFAOYSA-N 220.316 2.902 30 20 BFED CC[C@@H]1CCC[C@@H]1C(=O)OC1(C#N)CCC1 835212190 LYWULFSQVYHLDX-MNOVXSKESA-N 221.300 2.802 30 20 BFED C#Cc1cccc(NC(=O)COC(C)(C)CC)c1 837323890 QTNALFWGNUBFOD-UHFFFAOYSA-N 245.322 2.812 30 20 BFED C=CCCCCOC(=O)[C@@H]1[C@H]2CCC[C@H]21 837618223 TXLYCQVFOCKJAQ-GDNZZTSVSA-N 208.301 2.932 30 20 BFED C#CCCCC(=O)OC[C@@]1(C)CC1(Cl)Cl 837671495 YJJKYQFFHWOABM-SNVBAGLBSA-N 249.137 2.917 30 20 BFED CCC(=NNc1cncnc1)[C@H]1CC1(C)C 841635817 BHVQATFTDGXKFY-SNVBAGLBSA-N 218.304 2.701 30 20 BFED C=C(C)[C@H](CC(=O)N(OCC)C(C)C)OCC 844076163 WXVJYPNHLXQSLE-LBPRGKRZSA-N 243.347 2.546 30 20 BFED C=C(C)CONC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 844284819 XVTFENFRXORFLE-GRYCIOLGSA-N 240.347 2.618 30 20 BFED C=C[C@H](C)ON=C1CCCc2ccc(N)cc21 844620241 ISIUIESDFCAYMU-JTQLQIEISA-N 230.311 2.900 30 20 BFED C=C[C@H](C)ON=Cc1ccc(O[C@H](C)C#N)cc1 844626154 ZDJLCYXBWWWHSW-NWDGAFQWSA-N 244.294 2.902 30 20 BFED C=CCC[C@H](OC(=O)/C=C(\C)COC)C1CC1 845492549 GKLGKTLFDSPUDT-STRFDMGBSA-N 238.327 2.867 30 20 BFED C#CCCc1noc(-c2ccc(C(F)F)nc2)n1 848607091 RBLVVFOGARHRPE-UHFFFAOYSA-N 249.220 2.635 30 20 BFED N#Cc1ccccc1COC(=O)C1CC2(CC2)C1 850212773 LMGACQKAZNLTFM-UHFFFAOYSA-N 241.290 2.792 30 20 BFED C#CCOCCN(Cc1ccccc1C)C1CC1 851738471 HUSWSOPQJBXEQF-UHFFFAOYSA-N 243.350 2.609 30 20 BFED O=C(O)c1ccccc1NN=CC1C[C@H]2C[C@@H]2C1 853280468 KNTYCIYCIFFQQI-QWRGUYRKSA-N 244.294 2.829 30 20 BFED C=CC[C@@H]1CCCN(Cn2cc(Cl)cn2)C1 853537235 RYHITQNWITUAML-LLVKDONJSA-N 239.750 2.782 30 20 BFED Cc1cccc(NC(=O)[C@H](C)ON=CC2CC2)c1 853736770 NUCQFYWBVIQVJV-NSHDSACASA-N 246.310 2.734 30 20 BFED C=CCCSCCNC(=O)/C=C(\C)CC 855384903 ZBPHJLVPKGZJAH-ZHACJKMWSA-N 227.373 2.768 30 20 BFED CC[C@@H]1CCC[C@H](C)N1C(=O)C#CC1CC1 856273964 VJNHIOAVQSDAJF-WCQYABFASA-N 219.328 2.579 30 20 BFED C/C(=C\C(=O)N(C)[C@@H](C)CC#N)c1cccs1 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C=C1CCC(C(=O)OCCCn2ccnc2)CC1 885652376 TZZKTNMSOOIZSH-UHFFFAOYSA-N 248.326 2.563 30 20 BFED N#Cc1csc(C(=O)N2C[C@H]3CCC[C@H]2C3)c1 890316057 LRKIFLBREHJDMH-ONGXEEELSA-N 246.335 2.634 30 20 BFED C=C[C@](C)(O)Cc1nc([C@H](C)C(C)(C)C)no1 896103476 VXGKXYJAPQSUOI-ZANVPECISA-N 238.331 2.699 30 20 BFED C#Cc1ccc(C(=O)N2CCCC[C@@H]2C=C)cc1 897594450 VVSIZELGINGLAU-HNNXBMFYSA-N 239.318 2.849 30 20 BFED C=C1CN(C(=O)[C@H](C)c2ccc(CC)cc2)C1 898694660 MNFUMYLGMAAHHG-GFCCVEGCSA-N 229.323 2.751 30 20 BFED C=C1CN(C(=O)[C@@H]2C[C@H]2c2sccc2C)C1 898699876 UIRQYTJMTBTNAM-GHMZBOCLSA-N 233.336 2.558 30 20 BFED COc1nccnc1NN=C1CC2(CCCC2)C1 901219351 AZQIWKGMOOJXQW-UHFFFAOYSA-N 246.314 2.607 30 20 BFED C=CC[S@@](=O)Cc1ccc(F)cc1C 905194391 HZSZBBFPFONLRX-CQSZACIVSA-N 212.289 2.569 30 20 BFED C=C[C@H]1CCCCN1C(=O)c1cc(O)ccc1C 907809407 YULWVEMMCBAPJJ-LBPRGKRZSA-N 245.322 2.881 30 20 BFED Cc1cc2occ(CC(=O)NO)c2cc1C(C)C 916666032 NNFHVCDKCLODRN-UHFFFAOYSA-N 247.294 2.913 30 20 BFED Clc1cccnc1NN=Cc1ccccn1 917549635 XQHCRAITCOOHNM-UHFFFAOYSA-N 232.674 2.576 30 20 BFED C=C1CCN(C(=O)Nc2ccsc2)CC1 930343700 ZDOJRMLQXWHHRX-UHFFFAOYSA-N 222.313 2.932 30 20 BFED Cc1cccc2oc(C(=O)NC(C)(C)C#N)cc12 932347260 AVFUOTKGIWYLPQ-UHFFFAOYSA-N 242.278 2.773 30 20 BFED C=C[C@H](CC)CC(=O)NC[C@](C)(O)[C@@H](C)CC 933610459 ZNKBODMBAPRDMZ-SCRDCRAPSA-N 241.375 2.502 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@@H](C)C1CCC1 935087972 ZKXKCYWACGRMKN-QWRGUYRKSA-N 209.333 2.894 30 20 BFED C[C@@H]1CC[C@@H](C)N1C(=O)CC#Cc1ccccc1 1116273458 FRMACGOOGBWTTB-ZIAGYGMSSA-N 241.334 2.828 30 20 BFED N#C[C@@]1(F)CCN(Cc2cccc3ccoc23)C1 1117744630 QLBQJKQEIYRZCF-AWEZNQCLSA-N 244.269 2.870 30 20 BFED C=C(C)CCNC(=O)c1nc(Cl)ccc1F 1117775975 VGTGEECBTAVSLR-UHFFFAOYSA-N 242.681 2.570 30 20 BFED CC(C)Oc1ccc(C#N)cc1N[C@H](C)[C@@H](C)O 1118093677 WYACPXZYYYWGFJ-GHMZBOCLSA-N 248.326 2.527 30 20 BFED C=CCC1(c2nnc([C@@H]3CCO[C@H]3C)o2)CCC1 1261491451 VUMCCZAGFSNBTC-WDEREUQCSA-N 248.326 2.960 30 20 BFED C=C(CC)C(=O)N[C@@H](CC)c1ccncc1 1263744010 QVFMPADGAJGCLM-LBPRGKRZSA-N 218.300 2.615 30 20 BFED C#CCOCCN(C)[C@H](C)c1cccc(C)c1 1319552176 GFNQBPXJENVDIN-CQSZACIVSA-N 231.339 2.638 30 20 BFED C=C(C)C(C)(C)c1nnc([C@@H]2CCO[C@H]2C)o1 1327061163 ZZPMSIWOVAECLK-VHSXEESVSA-N 236.315 2.816 30 20 BFED CC(C)C#CC(=O)N[C@@H]1C[C@H]1CC(C)(C)C 1328356163 QARCFTDTHPMBQM-NWDGAFQWSA-N 221.344 2.587 30 20 BFED C#CCN(CC1CC1)c1cc(C)ccc1[N+](=O)[O-] 1337383082 YLJAOIIURVSILE-UHFFFAOYSA-N 244.294 2.753 30 20 BFED C=CCC[C@H]1CCCN1C(=O)c1coc(C=O)c1 1337489624 XBJWYYXYYZWXRA-LBPRGKRZSA-N 247.294 2.663 30 20 BFED C#Cc1ccc(NC2CCCCC2)nc1 1337687756 FONJWFUUFLBDQS-UHFFFAOYSA-N 200.285 2.808 30 20 BFED C=CC(C)(C)Cc1nnc(N2CCC[C@H]2C)n1C 1339630768 SZCGPWYRNAZNGU-LLVKDONJSA-N 248.374 2.559 30 20 BFED C=C(Cl)CNC(=O)N1CCC[C@@H]1CCC 1340064872 VEVCAMQKAMGGTR-JTQLQIEISA-N 230.739 2.713 30 20 BFED Cc1csc([C@@H](C#N)C(=O)[C@@]23CCC[C@@H]2C3)n1 1341723416 GPERYXFWVOYBGT-GBIKHYSHSA-N 246.335 2.818 30 20 BFED CC#CCCCCOC(=O)c1cnc(C2CC2)o1 1347273996 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30 20 BFED C[C@]1(C#N)CCCN(C(=O)NCC2CCCC2)C1 612036828 RXWHCKZSVDBIKU-CQSZACIVSA-N 249.358 2.512 30 20 BFED C[C@]1(C#N)CCCN(Cc2cc(C#N)cs2)C1 612406485 NMBUXJDEQZENGQ-CYBMUJFWSA-N 245.351 2.745 30 20 BFED C[C@@H](CC#N)NC(=O)Nc1ccc(C2CC2)cc1 614200044 BICSSBJYHJIACP-JTQLQIEISA-N 243.310 2.988 30 20 BFED C=CCC1(NC(=O)COC(C)(C)C)CCCC1 619110617 HGHIBGDAIPXNGS-UHFFFAOYSA-N 239.359 2.807 30 20 BFED C=CCCCCNCc1cnc(C2CC2)o1 628240280 XOKVQRYKKRHAEQ-UHFFFAOYSA-N 220.316 2.998 30 20 BFED C=CC[C@H](CC)NC(=O)N[C@@H]1CCC[C@H](F)C1 645365028 IZEOSEUHNULNNM-SDDRHHMPSA-N 242.338 2.921 30 20 BFED C=CCCNc1ccnc(C(C)(C)C)n1 664226213 DSKKGXAEXQHSKF-UHFFFAOYSA-N 205.305 2.762 30 20 BFED C=CCCC(C)(C)NC(=O)N=c1cc[nH]c(C)c1 666489592 HRWMOWLMFIAKMI-UHFFFAOYSA-N 247.342 2.678 30 20 BFED N#Cc1cc(F)c(N2CCC(F)CC2)c(F)c1 689805406 CNUNGYLJOSUEBE-UHFFFAOYSA-N 240.228 2.775 30 20 BFED C#CC1CCN(C(=O)c2ccc(CC)s2)CC1 709613884 SGGZUTZHSUIKHP-UHFFFAOYSA-N 247.363 2.796 30 20 BFED Cc1cc(NN=C2CCC[C@@H]2C)nc(C)n1 729142127 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Cc1cnn(C)c1/C=C\C(=O)c1cccc(F)c1 794689929 DSBKJLFQFKOMLD-SREVYHEPSA-N 244.269 2.764 30 20 BFED C=CCNN=Cc1ccc(OCCC)c(OC)c1 794993499 XZPCTNYWITUGBM-UHFFFAOYSA-N 248.326 2.594 30 20 BFED C=CCC(C)(C)C(=O)OCC(=O)C(C)(C)C 796463717 XLRJWRBJQSQUQP-UHFFFAOYSA-N 226.316 2.747 30 20 BFED C=CCCCN1CC[C@@H](c2ccccn2)C1 799195257 XQDPSQJRUYXNQJ-CYBMUJFWSA-N 216.328 2.837 30 20 BFED C=CCNC(=S)N(C)C1CCC(F)(F)CC1 806604253 OZKFKKCJFMQUGX-UHFFFAOYSA-N 248.342 2.557 30 20 BFED C#C[C@H](NCc1nc2c(s1)CCC2)C(C)(C)C 809781963 FFQSTWKSAHEDOK-LBPRGKRZSA-N 248.395 2.769 30 20 BFED CCC1(CC)C(=NOCC2CC2)C[C@@H]1OC 814243847 PWZSDRWROIUGLB-LBPRGKRZSA-N 225.332 2.994 30 20 BFED CCc1nc(C=NOCCC2CC2)cs1 814247255 YDAQDPPAQXITHQ-UHFFFAOYSA-N 224.329 2.856 30 20 BFED C#CCCOc1cc(F)c(Cl)cc1C=O 814781918 PCPWUOZRDYCMQO-UHFFFAOYSA-N 226.634 2.694 30 20 BFED C=CCC(F)(F)C(=O)N[C@H]1CCC[C@@H]1CC 815783595 VMYAWSXIBDVFLR-UWVGGRQHSA-N 231.286 2.893 30 20 BFED CCC/C(C)=C\C(=O)N[C@@H]1CC[C@H](C#N)C1 819631978 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C#CCC[C@@H](C)OC(=O)[C@@H](C)OCCC(C)C 839035678 JMPJAELRYNPAKZ-CHWSQXEVSA-N 240.343 2.783 30 20 BFED C=C(C)CONC(=O)c1ccc2c(c1)CCCC2 846539783 FFBBJOUYUXOVBP-UHFFFAOYSA-N 245.322 2.803 30 20 BFED N#CCc1ccccc1C(=O)OCC1CC=CC1 849671448 QJGGRTHITGWSNQ-UHFFFAOYSA-N 241.290 2.876 30 20 BFED C=CC(C)(C)CCOC(=O)[C@@H]1C[C@]12CCOC2 851299832 ANDGKKDLKXZEJM-FZMZJTMJSA-N 238.327 2.559 30 20 BFED CSCCC=NNc1ccc(Cl)cn1 853437230 GTTORSOHQVXOLV-UHFFFAOYSA-N 229.736 2.886 30 20 BFED Clc1ccc(NN=CC2CCOCC2)nc1 853437635 QFHRWUOGZBMAGZ-UHFFFAOYSA-N 239.706 2.559 30 20 BFED C1CC(=NOCCC2SCCS2)C1 853669995 QCWVTYWXBMFQHC-UHFFFAOYSA-N 217.359 2.739 30 20 BFED ClC1(Cl)C[C@H]1CCON=CC1CC1 853736330 WUVNECZJZUIGSM-MRVPVSSYSA-N 222.115 2.983 30 20 BFED C=CCN(C(=O)[C@@H](O)C(C)(C)C)c1ccccc1 854509572 WMNBYCKZXHFKFA-CYBMUJFWSA-N 247.338 2.613 30 20 BFED C=CCCONC(=O)CCSCCCC 856032175 JIXZSZQOQRQZDI-UHFFFAOYSA-N 231.361 2.534 30 20 BFED COCCN(C)N=C[C@H](C)c1ccc(C)cc1 863111704 FTZPQOKMOVXJQI-ZDUSSCGKSA-N 234.343 2.663 30 20 BFED C#CCCCN[C@H](C)c1cc(O)ccc1F 872037868 GCLBYTOBJLMZDW-SNVBAGLBSA-N 221.275 2.595 30 20 BFED C=CC(C)(C)CC(=O)N[C@H](CC)CSC 879383697 CDEFADOAOFBGCV-SNVBAGLBSA-N 229.389 2.847 30 20 BFED C=C1CCC(C(=O)N2CCc3ncccc32)CC1 889637275 QLEGDNZMPLPFAG-UHFFFAOYSA-N 242.322 2.717 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@H](C)Cc1cccnc1 889668630 OZLLFNYAYXGZHI-IUODEOHRSA-N 246.354 2.731 30 20 BFED C=CC1(OC(=O)COC2CCC(C)CC2)CC1 893363539 CGOIPFWVWUMWSO-UHFFFAOYSA-N 238.327 2.844 30 20 BFED C=CCC[C@@H](CCC)N[C@H](C)c1n[nH]c(C)n1 894774904 ZTJPLFFEYZJJIS-ZYHUDNBSSA-N 236.363 2.899 30 20 BFED CC#CCNC(=O)CCCCc1ccccc1 897253669 IJWGFJICAXADKJ-UHFFFAOYSA-N 229.323 2.539 30 20 BFED C#Cc1ccc(N[C@@H]2CCO[C@H](C)C2)cc1 898505063 KNOKAVWNWQPDDF-BXUZGUMPSA-N 215.296 2.647 30 20 BFED C=C1CN(C(=O)c2ccc(CSC)cc2)C1 898689665 WNSMFVJYPFRMKO-UHFFFAOYSA-N 233.336 2.562 30 20 BFED C=C1CN(C(=O)c2ccccc2C(F)(F)F)C1 898689708 XHIOSDFTPSXEIA-UHFFFAOYSA-N 241.212 2.717 30 20 BFED C=C1CN(C(=O)C[C@@H](C)c2ccc(F)cc2)C1 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237.368 2.915 30 20 BFED C#CCNC(=O)c1ccccc1CC(C)(C)C 929383667 QEABAYPYKSSWSA-UHFFFAOYSA-N 229.323 2.638 30 20 BFED C=C(C)CN(C)C[C@H](O)c1cccc(C)c1 930244425 NAUGSBXFRSQBMQ-AWEZNQCLSA-N 219.328 2.536 30 20 BFED C=C[C@H](CC)CC(=O)Nc1cc(CC)nn1C 932970917 JCIGUIKDORRTLY-SNVBAGLBSA-N 235.331 2.523 30 20 BFED C=CCCCCCCCN[C@H](C)[C@H](C)O 1118091278 VBRISHCDHZLCJY-OLZOCXBDSA-N 213.365 2.872 30 20 BFED C=C(CC)COC(=O)c1c2ccccc2nn1C 1320679020 ZLQGBNGOPPYSCK-UHFFFAOYSA-N 244.294 2.696 30 20 BFED N#CC1(CNC(=O)C2C[C@H]3CCC[C@H](C2)C3)CC1 1321591676 GKKBSTAJIKYTPK-RYUDHWBXSA-N 246.354 2.623 30 20 BFED C#C[C@H](CC)NC(=O)OCC1CCCCC1 1328749502 QWLCKDPCTWZQFL-GFCCVEGCSA-N 223.316 2.705 30 20 BFED C=C(C)CCN1CCC[C@](O)(c2ccccc2)C1 1331472069 KKGDRUKRYKBACO-MRXNPFEDSA-N 245.366 2.936 30 20 BFED C=C(C)CCC(=O)N1CCC[C@H]1[C@H]1CCCC1=O 1335873292 BLTDXNSHFGUUGA-OLZOCXBDSA-N 249.354 2.703 30 20 BFED Cc1cccc(C=NNCC2CCOCC2)c1C 1339160459 DPSWSUQGUDXSDG-UHFFFAOYSA-N 246.354 2.654 30 20 BFED Cc1ccc(-c2nnc(C#CC(C)C)o2)o1 1346673583 AMBDUUNNHUGSKJ-UHFFFAOYSA-N 216.240 2.646 30 20 BFED N#Cc1sccc1C(=O)OCc1ccccc1 1350468708 XWCUUCZVSGVCBA-UHFFFAOYSA-N 243.287 2.977 30 20 BFED Cc1cc(COc2ccccc2C#N)nc(C)n1 1458832606 DYRNRZLMKBVVDK-UHFFFAOYSA-N 239.278 2.544 30 20 BFED C=CC(C)(C)CC(=O)OCc1cnn(CC)c1 1515655071 YIGNXFDVTQHJKX-UHFFFAOYSA-N 236.315 2.549 30 20 BFED C=C(CC)C(=O)Nc1cc(CCC(C)C)[nH]n1 1528592871 UAMWKRZGTGPUFH-UHFFFAOYSA-N 235.331 2.903 30 20 BFED CC[C@H](NN=C1CCC[C@@H]1CC(C)C)C(=O)O 1776067271 VQTYUKLQPXNDND-MNOVXSKESA-N 240.347 2.641 30 20 BFED C=C(C)CCCN[C@@H](C(=O)O)c1ccccc1 1776139029 LALOFKXGUICSSA-CYBMUJFWSA-N 233.311 2.758 30 20 BFED C=CC[C@]1(C(=O)O)CCCN(CC/C=C\C)C1 1776156563 VQSSPIIHULCLFR-MFBWXBCUSA-N 237.343 2.696 30 20 BFED N#Cc1ccc(NCc2cc[nH]n2)cc1Cl 36900315 PSDMSWSGCXTOTJ-UHFFFAOYSA-N 232.674 2.547 30 20 BFED C=CCNC(=O)c1cc(F)c(F)cc1Cl 47871299 BZHMTYIXXFETBK-UHFFFAOYSA-N 231.629 2.534 30 20 BFED CC[C@H](C#N)C(=O)N1CC[C@@H](c2ccccc2)C1 50600441 GBMVDMLCJMTPGW-TZMCWYRMSA-N 242.322 2.552 30 20 BFED C=C(C)COC(=O)COc1ccc2c(c1)CCC2 57984630 HMBHZLQEAMHMPA-UHFFFAOYSA-N 246.306 2.673 30 20 BFED C=C(Br)COC(=O)c1ccoc1C 61033427 KWDCAGSNIAJCEV-UHFFFAOYSA-N 245.072 2.653 30 20 BFED CCCSCC(=O)N(C)c1cccc(C#N)c1 63327087 QMZDVZMTAQBTOP-UHFFFAOYSA-N 248.351 2.664 30 20 BFED CCCCCNC(=O)c1ccc(/C=N/OC)cc1 68051215 JRBWJXVLMBZYQG-LFIBNONCSA-N 248.326 2.587 30 20 BFED C=CCNC(=O)c1sc(CC(C)C)nc1C 68094228 CDPJJUWRCACXPW-UHFFFAOYSA-N 238.356 2.566 30 20 BFED C#CCCN[C@H](C)c1nc2ccccc2s1 69768267 PEJCIVJGGRQOPK-SNVBAGLBSA-N 230.336 2.970 30 20 BFED CC[C@@H](C)C(=O)N[C@H](C)c1cccc(C#N)c1 75266407 QFGJYIZSJFPLJC-GHMZBOCLSA-N 230.311 2.782 30 20 BFED C=CCCNc1ccc(CC(=O)NC(C)C)cc1 77244996 TVDBMFULRUQYBW-UHFFFAOYSA-N 246.354 2.742 30 20 BFED CC(C)(C)CCNC(=O)C1(C#N)CCCC1 78794972 NQLWTVQBLNKYDS-UHFFFAOYSA-N 222.332 2.623 30 20 BFED N#CCc1ccc(N[C@H]2CCCOCC2)cc1 86871958 TZUOJCSVEYZADJ-ZDUSSCGKSA-N 230.311 2.734 30 20 BFED Cc1ccc(/C=C\C(=O)c2cnn(C)c2)cc1 96298760 NCAJQAVDBHWBDR-FPLPWBNLSA-N 226.279 2.625 30 20 BFED C#CCCOC(=O)[C@@H](C)c1ccc(CC)cc1 102708200 FHZCCFCLILZWMV-LBPRGKRZSA-N 230.307 2.919 30 20 BFED C=CCN(CC=C)Cc1ccc(F)cc1C#N 103226328 VNEJUITYIASSDD-UHFFFAOYSA-N 230.286 2.871 30 20 BFED C=CCS[C@H](C)C(=O)NCc1ccccc1 114756862 YWGMQGYCKOXNMP-LLVKDONJSA-N 235.352 2.611 30 20 BFED C=CC[C@@H](C)NC(=O)N(C)Cc1ccoc1C 116972085 BCXSBEWMCKBKMB-SNVBAGLBSA-N 236.315 2.694 30 20 BFED C=CCCOC(=O)Cc1ccc(F)cc1F 120600673 XVLIWCAFNSEYRH-UHFFFAOYSA-N 226.222 2.627 30 20 BFED C=C(C)CN(CC)[C@H](C)C(=O)N[C@@H](C)CCC 125945042 ZHOGMSOXLDQJDQ-QWHCGFSZSA-N 240.391 2.578 30 20 BFED CC1(C)CC[C@H](Nc2cc(C#N)ccn2)C1 129212415 OBFAVWMUPWHDKP-NSHDSACASA-N 215.300 2.944 30 20 BFED CCC[C@@H](CC)Nc1cccnc1C#N 129977219 MJKLFFRYYNONOH-SNVBAGLBSA-N 203.289 2.944 30 20 BFED C=CCN(CC=C)C(=O)N[C@@H]1CCC[C@H]1CC 132300913 GGSHUYHQHRJKSD-CHWSQXEVSA-N 236.359 2.949 30 20 BFED Cc1cc(F)ccc1NC(=O)c1ccc(C#N)[nH]1 132879610 DZGFPJWESYOJBV-UHFFFAOYSA-N 243.241 2.586 30 20 BFED C=CCC[C@@H](O)CN(CC)C[C@H](C)CC 133040978 OVEPUQKRKMDGGO-CHWSQXEVSA-N 213.365 2.682 30 20 BFED C=CC[C@H](C)[C@H](C)NCC1(OC)CCC1 134715183 MABGMIPMKRATOV-RYUDHWBXSA-N 211.349 2.746 30 20 BFED C#CCCCCNCc1ccc(NC(C)=O)cc1 150731313 REBOEFLIBRODPT-UHFFFAOYSA-N 244.338 2.538 30 20 BFED C[C@H]1CCC[C@H](CC(=O)NC(C)(C)C#N)C1 155917721 VURJMSCJQYIUJG-QWRGUYRKSA-N 222.332 2.621 30 20 BFED Cc1cccc(CN(C)CCC#N)c1C 157784980 JNIHXPWLHYAOSH-UHFFFAOYSA-N 202.301 2.649 30 20 BFED CC[C@@]1(C)C[C@@H]1C(=O)Nc1sccc1C#N 159111601 METXEQFCPVIYFR-SKDRFNHKSA-N 234.324 2.994 30 20 BFED Cc1cccc(C(=O)N2CCC(C#N)CC2)c1F 161568509 ZVFDPMGYSLWSQC-UHFFFAOYSA-N 246.285 2.510 30 20 BFED C[C@@H](Nc1ccc(F)cc1C#N)[C@@H]1CCOC1 164136297 OVVFLGDWTSUREA-NXEZZACHSA-N 234.274 2.534 30 20 BFED N#CCCCCN1CCCN(C2CCCC2)CC1 172585801 PRZBAZPFUGNEIO-UHFFFAOYSA-N 249.402 2.631 30 20 BFED C[C@@H](CO)S[C@@H](C)c1ccc(C#N)cc1 172977876 IFWPYYBTBHVZRR-UWVGGRQHSA-N 221.325 2.733 30 20 BFED C=CCCCC(=O)NCC[C@@H](OCC)C(C)C 176322481 DCRQTZRDOOHJKI-CYBMUJFWSA-N 241.375 2.910 30 20 BFED C[C@@H]1CSc2ccccc2N1CC#N 177387895 GSSQXGTWYBZPNC-SECBINFHSA-N 204.298 2.511 30 20 BFED C=CCOc1ccc(O[C@@H](C)COC)cc1 177675998 BJNMLUJEIANZSU-NSHDSACASA-N 222.284 2.665 30 20 BFED CCOc1cccc(C(=O)N[C@H](CC)CC#N)c1 183958624 JSXNWMVMVIGFFC-GFCCVEGCSA-N 246.310 2.507 30 20 BFED C=C[C@@](C)(CCOC)C(=O)OC1CCCC1 187749376 OPFSHNNIAQVSJC-ZDUSSCGKSA-N 226.316 2.701 30 20 BFED C#CCC(C)(C)C(=O)O[C@@H]1CCc2cccnc21 189312642 YVPUTTJTGNYTFZ-GFCCVEGCSA-N 243.306 2.662 30 20 BFED N#C[C@@H]1CCC[C@@H](NCCN2CCCCCC2)C1 192635586 VDYZDCOGEFUMFY-HUUCEWRRSA-N 249.402 2.534 30 20 BFED N#Cc1ccccc1CSC[C@@H]1CCCO1 192677918 NALNAZCBTXQFOD-ZDUSSCGKSA-N 233.336 2.970 30 20 BFED C=CCCCCCN1C[C@@H](C)OC[C@H]1C 193298324 MMWSHDHFSLTWCU-CHWSQXEVSA-N 211.349 2.842 30 20 BFED C#CCSCCN[C@H](CC)CCCC 222111955 QZGLGAWSNHVHNE-GFCCVEGCSA-N 213.390 2.911 30 20 BFED CC(C)(C)c1noc(-c2ccc(C#N)s2)n1 226760520 FXMYPEICLXMLCE-UHFFFAOYSA-N 233.296 2.967 30 20 BFED N#Cc1ccc(F)cc1CSc1ncc[nH]1 229950081 IZBCSWCIVMBTTM-UHFFFAOYSA-N 233.271 2.713 30 20 BFED CSC1(CNc2cccnc2C#N)CCC1 235190739 YTJZTODKKZDYBY-UHFFFAOYSA-N 233.340 2.651 30 20 BFED C[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CCCO1 246316581 GWEFLLTXJUCIQU-QWHCGFSZSA-N 244.338 2.730 30 20 BFED CC[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H](C)O1 247582965 LTSOIERTLNVDKR-IUODEOHRSA-N 244.338 2.558 30 20 BFED N#C[C@@H]1CCC[C@H](N[C@H]2CCO[C@H](C3CC3)C2)C1 248726577 CVDLOVFDCWZLKT-UNQGMJICSA-N 248.370 2.616 30 20 BFED Cc1nc(C)c(C#N)c(SC/C=C\Cl)n1 255105327 WQDYSIQJSMGUEB-ARJAWSKDSA-N 239.731 2.810 30 20 BFED N#Cc1cncnc1NCc1cccc(Cl)c1 259790699 TXHNLDHESNPJLB-UHFFFAOYSA-N 244.685 2.614 30 20 BFED Cc1cccc(CN(CC#N)C2CC2)c1C 271152103 UOFVSGAHHIZWLB-UHFFFAOYSA-N 214.312 2.791 30 20 BFED C[C@@H](CC(=O)NCCCC#N)c1ccccc1 272987494 FAZJJHSWGQWPEU-LBPRGKRZSA-N 230.311 2.600 30 20 BFED Cc1ccc([C@H](C)NCCCC#N)c(O)c1C 273468880 RSGPMQRSFGSDRW-LBPRGKRZSA-N 232.327 2.963 30 20 BFED N#Cc1cnc(N2CCC=C(F)C2)c(Cl)c1 274299521 NLWGONKFPMDWIR-UHFFFAOYSA-N 237.665 2.670 30 20 BFED N#CCC(=O)N(Cc1ccc(Cl)cc1)C1CC1 274706681 RZILLQAECHLFHN-UHFFFAOYSA-N 248.713 2.745 30 20 BFED N#Cc1ccc(N[C@H]2CCC[C@H]2CCO)c(F)c1 274995074 FJRVWEATGDFVDF-AAEUAGOBSA-N 248.301 2.660 30 20 BFED C=CCCN(C)C(=O)c1cc(C)n(CC)c1C 276372886 KJFAPIJRAZHEDR-UHFFFAOYSA-N 234.343 2.773 30 20 BFED CC(C)=CCCNc1ncccc1C#N 276715921 JYAPINFOCWEONA-UHFFFAOYSA-N 201.273 2.721 30 20 BFED C=CCCCN(C)CC(F)(F)Br 287101301 XUBWJKTYVZXFCZ-UHFFFAOYSA-N 242.107 2.872 30 20 BFED C[C@@H](C(=O)N[C@]1(C#N)CC1(C)C)c1cccs1 291627721 IZIRLBUIQIFDIJ-RNCFNFMXSA-N 248.351 2.660 30 20 BFED CC#CCN(C)C(=O)CCc1ccc(Cl)cc1 294479019 IRLKENXOHQWEFH-UHFFFAOYSA-N 249.741 2.754 30 20 BFED COC1(CNc2ccc(C#N)c(C)n2)CCCC1 294863858 DLIONVVABRZWDV-UHFFFAOYSA-N 245.326 2.633 30 20 BFED CCn1cc(C(=O)/C=C/c2ncc(C)s2)cn1 295831866 HGHVCFRJZMTMQU-SNAWJCMRSA-N 247.323 2.564 30 20 BFED Cc1ccc(Cl)cc1NCCO[C@H](C)C#N 304245282 PASMXZJLFJWNOD-SNVBAGLBSA-N 238.718 2.989 30 20 BFED CCN(CC)/C(N)=N/CC(CC)(CC)CC 305035112 IGNCGCPETYVAHG-UHFFFAOYSA-N 227.396 2.859 30 20 BFED C=C1CCN(C[C@@H]2CC2(Cl)Cl)CC1 307295954 QEBWDERVJOQLKY-VIFPVBQESA-N 220.143 2.832 30 20 BFED C#Cc1c[nH]c2ccc(Br)cc12 307498086 PFPMBSSRBUMCFJ-UHFFFAOYSA-N 220.069 2.912 30 20 BFED Cc1cc(C#N)cc(N[C@H]2CCn3ccnc32)c1 308120787 HLVHHNPOYBUTHY-ZDUSSCGKSA-N 238.294 2.620 30 20 BFED Cc1nc(C#N)cc(N[C@H](C)CC(C)C)n1 308271201 SEXWDOFAQPWFBX-SECBINFHSA-N 218.304 2.503 30 20 BFED CC(C)CSCCN[C@H]1CC[C@@H](C#N)C1 309077211 LXSNGZUEULHHTK-NEPJUHHUSA-N 226.389 2.657 30 20 BFED C=CCCC[C@@H](C)NCc1ncc(Cl)n1C 309749641 KDXKHZCXZXYXMD-SNVBAGLBSA-N 241.766 2.908 30 20 BFED CC1(C)CC[C@@H]1Nc1cccc(CC#N)n1 309808648 SWEBWJOJPOPJFQ-NSHDSACASA-N 215.300 2.748 30 20 BFED CCN(CCO[C@@H](C)C#N)c1ccccc1F 310215546 IOJPVQBBNYQNSD-NSHDSACASA-N 236.290 2.581 30 20 BFED Cc1noc(N=C(O)[C@@H]2CCCOCC2)c1C 330275258 LFWADYAFRDNBCS-SNVBAGLBSA-N 238.287 2.696 30 20 BFED COc1cnc(N/C(O)=N/[C@H](C)C(C)C)s1 330494249 UTBGDWBJANXDSC-SSDOTTSWSA-N 243.332 2.522 30 20 BFED Cc1cc(=N/C(O)=N/CC2CCCCC2)cc[nH]1 330602071 ZYKJCYGMSVPJBE-UHFFFAOYSA-N 247.342 2.718 30 20 BFED C[C@@H]1CC[C@@H](CC(=O)NCC2(C#N)CCC2)C1 331657875 XUUKTYKDRYOYKU-VXGBXAGGSA-N 234.343 2.623 30 20 BFED CC[C@H]1CCCN1C(=O)c1ccc(CC#N)cc1 334208812 XMNUEUKHOQXEOU-AWEZNQCLSA-N 242.322 2.767 30 20 BFED N#CCN1CC[C@](F)(c2cccc(Cl)c2)C1 334345026 UFGMQCCPQPJSNL-GFCCVEGCSA-N 238.693 2.734 30 20 BFED C=C[C@@H](C)NC(=O)N1CCC[C@H]1c1cccnc1 334876993 ITXMPYLBYICEPD-YPMHNXCESA-N 245.326 2.503 30 20 BFED Cc1oc(C#N)cc1C(=O)N[C@@H]1CCC(C)(C)C1 336153496 CVCMMOWSKPNVCJ-SNVBAGLBSA-N 246.310 2.768 30 20 BFED CC1(C)CC(C(=O)NCc2ccc(C#N)cc2)C1 336156349 VWSPRJTZJDYGDU-UHFFFAOYSA-N 242.322 2.611 30 20 BFED Cc1cccc(C)c1[C@@H](C)NC(=O)[C@@H](C)C#N 336456009 IIWNFIVGLXWVMG-NWDGAFQWSA-N 230.311 2.640 30 20 BFED C[C@@]1(F)CCN(Cc2ccc(CC#N)cc2)C1 336489031 BYPFCGJSAUEENF-CQSZACIVSA-N 232.302 2.687 30 20 BFED C=CCC(CC=C)C(=O)N[C@H]1CCC[C@@H]1F 340817868 JPACVDPZDLUXGS-RYUDHWBXSA-N 225.307 2.762 30 20 BFED CCC[C@@H](C)C(=O)NCCc1cccc(C#N)c1 341746829 BITVEPYYAMEIPQ-GFCCVEGCSA-N 244.338 2.653 30 20 BFED C=C(C)CN(C)C(=O)c1c[nH]c(C(F)(F)F)c1 345748297 XITUSWOZDZRARL-UHFFFAOYSA-N 246.232 2.682 30 20 BFED C[C@H](C#N)CN(C)C[C@@H]1CCCC[C@H]1C 346208950 NXTULNOYZVPENT-UPJWGTAASA-N 208.349 2.904 30 20 BFED N#Cc1cccc(CN[C@@H]2CC[C@@H]2C2CC2)c1 348102485 MYCBRGFJTGRGOH-HUUCEWRRSA-N 226.323 2.836 30 20 BFED C=CCC(F)(F)c1nc([C@H]2C[C@H]2C)no1 349679314 POIONSLYXWKGEY-RQJHMYQMSA-N 214.215 2.861 30 20 BFED CC[C@@H]1CN([C@@H](C)CCC#N)CCS1 351471362 JRGXCYFDTIBEAJ-WDEREUQCSA-N 212.362 2.506 30 20 BFED C[C@H]1C[C@H]1CC(=O)Nc1ccc(CC#N)cc1 352167678 NJAHAXGCMAQZHQ-JQWIXIFHSA-N 228.295 2.737 30 20 BFED C=CCC[C@H](O)CN(C)[C@H](C)CCCC 352390661 FZGMWMVGORVAJM-OLZOCXBDSA-N 213.365 2.824 30 20 BFED C=CCN(CCC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 354206761 KSMMATKXSPUDNH-XQQFMLRXSA-N 223.360 2.698 30 20 BFED C=CC[C@@H](C)NC(=O)[C@H]1CCC(F)(F)C1 359528227 BYNRGRFRZOLGEX-BDAKNGLRSA-N 217.259 2.503 30 20 BFED COc1cc(C)ccc1NC(=O)CCCC#N 360024493 NJMLWUXIQYXASU-UHFFFAOYSA-N 232.283 2.636 30 20 BFED C=C[C@@H](C)NC(=O)N(C)[C@@H](CC)c1ccncc1 362371727 UJTVKAUBCUNZLM-YPMHNXCESA-N 247.342 2.749 30 20 BFED C#CCC(C)(C)C(=O)N1CC[C@@H](c2ccco2)C1 372003461 OBLYEVSTPVSTLZ-GFCCVEGCSA-N 245.322 2.645 30 20 BFED C=C(Cl)CN1CCC(c2c[nH]nc2C)CC1 375353840 MGBFCUWWHAYLQN-UHFFFAOYSA-N 239.750 2.650 30 20 BFED C=CCN1CC[C@@]2(CCc3ccccc3O2)C1 377726513 PQKOAEUSQBJFEQ-HNNXBMFYSA-N 229.323 2.642 30 20 BFED C=CCCCCC[C@@H](C)N[C@@H]1CC[C@H]1O 378682154 XOMOZRGQVCSWOK-JHJVBQTASA-N 211.349 2.624 30 20 BFED C=C(Cl)COC(=O)c1cccs1 379336506 QSQWCOMEHAWCBX-UHFFFAOYSA-N 202.662 2.657 30 20 BFED C[C@@H]1CC(=NOC(C)(C)C)CC[C@H]1C(=O)O 382389721 RUSVUKHWXWQHLX-PSASIEDQSA-N 227.304 2.678 30 20 BFED CC[C@@H]1C[C@H]1CNc1nccc(C)c1C#N 387660444 HFOHFBDJYKXKHB-MNOVXSKESA-N 215.300 2.720 30 20 BFED C[C@@H](CC#N)NCc1ccsc1Cl 388885744 JYENGXXSPPPPNQ-ZETCQYMHSA-N 214.721 2.793 30 20 BFED C[C@H](C#N)CNC[C@@H]1C[C@@H]1c1ccccc1 390134880 LLXLPFIBQAPQJY-KWCYVHTRSA-N 214.312 2.539 30 20 BFED CC#CCN[C@@]1(C)CCCc2ccccc21 390292090 ZEWBIESYFIMART-HNNXBMFYSA-N 213.324 2.851 30 20 BFED Cc1cc(N2C[C@H](C)[C@H](C)[C@H]2C)c(C#N)cn1 399609048 BUVGKSNARQKXKH-ZMLRMANQSA-N 229.327 2.742 30 20 BFED C[C@H](CCC(C)(C)C)C(=O)N(C)[C@H](C)C#N 410884241 QUKICNTYLCBNGR-GHMZBOCLSA-N 224.348 2.819 30 20 BFED C=CCOCC(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C 412809597 HWTRAAOWZDGTGK-NWDGAFQWSA-N 239.359 2.520 30 20 BFED Cc1nsc(N[C@H]2CCC[C@@H]3C[C@H]23)c1C#N 413452971 HJIFDKJZTVRCAD-YWVKMMECSA-N 233.340 2.924 30 20 BFED C=C[C@@H](C)NC(=O)N1CC[C@H](C2CCCC2)C1 420797555 AGKZHEWGHISISH-YPMHNXCESA-N 236.359 2.783 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@@H](CC)C[C@@H](C)CO 424743212 VVHVILFNEKXPAZ-NEPJUHHUSA-N 241.375 2.502 30 20 BFED C=C(CNC(=O)[C@]1(C)C[C@@H]1F)c1ccccc1 424860135 ZTAXUHNNTQSQCD-GXTWGEPZSA-N 233.286 2.564 30 20 BFED C=CC[C@@H](CC)NC(=O)c1cc2c([nH]1)CCCC2 451419581 LQSLJPAQDJMNAA-GFCCVEGCSA-N 246.354 2.978 30 20 BFED C=C[C@@H]1OCC[C@H]1NCc1ccccc1CC 451609154 PBSCDBDAZGTTKQ-CABCVRRESA-N 231.339 2.682 30 20 BFED C=C(C)CCNC(=O)c1ccc(SC)o1 452727672 ZFNVSFLERZJHEV-UHFFFAOYSA-N 225.313 2.698 30 20 BFED C=C(C)CNC(=O)N[C@H]1C[C@@]1(CC)C(C)C 454840612 RFCUAGVRKCJMLD-AAEUAGOBSA-N 224.348 2.686 30 20 BFED CC[C@H](C)CCC(=O)NCC(C)(C)CC#N 458044927 RKMOYERMYHEARV-NSHDSACASA-N 224.348 2.869 30 20 BFED C=C[C@H]1CCCCN1Cc1nc(CC(C)C)no1 489431249 DTAVPTLTJHPXJR-LBPRGKRZSA-N 249.358 2.809 30 20 BFED CN(Cc1ccccc1C#N)[C@H]1CC1(C)C 489441645 UAGHCTFLPODGMP-ZDUSSCGKSA-N 214.312 2.789 30 20 BFED C#C[C@@H](CC)Nc1ncnc2oc(C)c(C)c12 491696164 YMPJKGMSHYGTSD-JTQLQIEISA-N 229.283 2.663 30 20 BFED C/C=C/C=C/C(=O)Nc1ccc(C#N)cc1OC 492650997 TZODOLOPVMSVHV-VNKDHWASSA-N 242.278 2.638 30 20 BFED C/C=C(/C=C\C(=O)N[C@@H]1CC[C@H](C#N)C1)CC 493191450 PBDVWEVJJUAQBB-KMHNNNRVSA-N 232.327 2.707 30 20 BFED C[C@@H]1CCCC[C@H]1CC(=O)NC(C)(C)C#N 542830994 YTPMCBFLWMNFDU-MNOVXSKESA-N 222.332 2.621 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCC[C@H]2C[C@H]21 548883215 GFXQUOSPAZYZAT-JARUQAPTSA-N 235.371 2.746 30 20 BFED C[C@@H]1C[C@@]1(C#N)C(=O)NCC(C)(C)C1=CCCC1 579081131 HSSNAWLXZKPSAY-ABAIWWIYSA-N 246.354 2.789 30 20 BFED CO[C@@H](CC(C)C)CN1CCC[C@@](C)(C#N)C1 591375630 LYDUMSZAURREMM-KBPBESRZSA-N 238.375 2.673 30 20 BFED CC[C@H](C#N)C(=O)N(C)[C@H]1CCc2ccccc21 593397633 NHCLKNNZPCJGCJ-RISCZKNCSA-N 242.322 2.682 30 20 BFED CC[C@H](C#N)C(=O)NC1CC(c2ccccc2)C1 593450307 LHPXONFWPDRBGH-LMWSTFAQSA-N 242.322 2.599 30 20 BFED CCN(C[C@H]1CCOC1)[C@H](C#N)c1ccccc1 595297784 OQOAFEKQMKGNKW-UKRRQHHQSA-N 244.338 2.610 30 20 BFED CCSC1(CNc2cccc(C#N)n2)CC1 596510831 JGWOLJPCSQHWSO-UHFFFAOYSA-N 233.340 2.651 30 20 BFED CC(C)(C#N)CNC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 597489792 OJCQWKSJDRCGAC-ITGUQSILSA-N 248.370 2.869 30 20 BFED Cc1[nH]c(C#N)cc1C(=O)N1[C@H](C)CCC1(C)C 597752591 DMWSVUZTAMMWFX-SECBINFHSA-N 245.326 2.598 30 20 BFED CCCCCC(=O)NCCc1ccc(C#N)cc1 597891859 CHFFDVLFKSYOHR-UHFFFAOYSA-N 244.338 2.797 30 20 BFED C[C@@H](C#N)N(C)C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 598846779 ZNMSSDXNGLSDAA-WUHRBBMRSA-N 234.343 2.573 30 20 BFED CCCCN(C)C(=O)Nc1cc(F)cc(C#N)c1 603075949 QULGQGFTAVJMIH-UHFFFAOYSA-N 249.289 2.961 30 20 BFED C[C@@H](C(=O)N1CCC(CC#N)CC1)c1ccco1 611677803 MEYPXLIMSNOVQA-LLVKDONJSA-N 246.310 2.535 30 20 BFED C=CCCNC(=O)Cc1c[nH]c2cccc(C)c12 617615216 CKSIGLLEQQANJT-UHFFFAOYSA-N 242.322 2.711 30 20 BFED C=CC[C@@H]1CCCN(C(=O)c2cncc(C)c2)C1 617783011 RISHYFMNKLRJEN-CYBMUJFWSA-N 244.338 2.818 30 20 BFED C=CCC1(NC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CCCC1 619108410 VGIYJQWVDCSZMZ-JHJVBQTASA-N 249.354 2.559 30 20 BFED C=CCC(CC=C)C(=O)NCC1=CCCC1 620004939 OCVNOIHCLXFASV-UHFFFAOYSA-N 219.328 2.981 30 20 BFED C=C[C@H](C)NC(=O)[C@@H](C)OCc1ccc(C)cc1 626066925 VUGBNQHMSDENTN-QWHCGFSZSA-N 247.338 2.591 30 20 BFED C=CCn1cc(C2CCCCCC2)nn1 656445337 BVWGXOJQMLIRBV-UHFFFAOYSA-N 205.305 2.902 30 20 BFED C=CC[C@H]1CCCN(CCc2cncc(C)n2)C1 661384879 KYJXYPZZEOVKTO-AWEZNQCLSA-N 245.370 2.616 30 20 BFED 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233.336 2.501 30 20 BFED C#Cc1ccc(CN2CC[C@@H]3C[C@@H]3C2)cc1 827506472 HLODOKNSPXVCII-HUUCEWRRSA-N 211.308 2.510 30 20 BFED CC(C)C#CC(=O)NCC[C@H]1CCCC[C@H]1C 827788359 SEYIESVSWGIKBX-ZIAGYGMSSA-N 235.371 2.978 30 20 BFED CC(C)OCCNN=C1C[C@@H](C)CC[C@@H]1C 834968771 AFLDNMMDWMZQSE-RYUDHWBXSA-N 226.364 2.813 30 20 BFED CCc1ccc(C=NN[C@H]2CCOC2(C)C)cc1 835015581 RRQGVRSNWDYVNI-AWEZNQCLSA-N 246.354 2.740 30 20 BFED C[C@H]1CCC[C@H](OC(=O)c2ccc(C#N)n2C)C1 835097427 CNXJCNQGIURNGZ-JQWIXIFHSA-N 246.310 2.632 30 20 BFED CC[C@H](C#N)OC(=O)C1=CC[C@@H](C)CC1 835212380 OUBSMGZLUMLVSO-MWLCHTKSSA-N 207.273 2.578 30 20 BFED C=CC(C)(C)C(=O)O[C@@H]1COc2ccccc21 835237840 BABJBGKYAHJQJA-GFCCVEGCSA-N 232.279 2.876 30 20 BFED C#C[C@@H](CC)OC(=O)C1=CC[C@H](C)CC1 835309393 OATXPZBCWFLTLN-JQWIXIFHSA-N 206.285 2.688 30 20 BFED CC(C)C[C@@H](C)COC(=O)c1ccc(C#N)n1C 835388704 NVLBTNLPXBFRIM-LLVKDONJSA-N 248.326 2.736 30 20 BFED C=CCC(F)(F)C(=O)OC[C@H](C)CSC 835678569 UYAKVVPJWUIMND-QMMMGPOBSA-N 238.299 2.740 30 20 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30 20 BFED C=C1CCC(C(=O)O[C@@H]2CCCCC2=O)CC1 885655504 IWHXNEYCBRLEKA-CYBMUJFWSA-N 236.311 2.788 30 20 BFED CCN(CCC#N)c1cc(C)nc(C2CCC2)n1 892787524 PKEOPTNWCBFSKY-UHFFFAOYSA-N 244.342 2.793 30 20 BFED N#CC1(CNCc2ccc(Cl)cn2)CCC1 895025058 HBJIWYFIWZVREX-UHFFFAOYSA-N 235.718 2.518 30 20 BFED C=CCCCC[C@H](C)N[C@H](C)[C@@H](C)C(=O)O 901448962 OUFURLGKICTJTQ-QJPTWQEYSA-N 227.348 2.820 30 20 BFED N#Cc1ccc(C=NNc2ccc(C#N)cc2)cc1 915962513 NJWXBSBBEBKPDF-UHFFFAOYSA-N 246.273 2.876 30 20 BFED C=C(C)CNC(=S)Nc1cc(C)ccc1O 918722407 XJQJKDAPXNAUCZ-UHFFFAOYSA-N 236.340 2.563 30 20 BFED Cc1ccnc(S[C@@H](C#N)C2CC2)c1 918813964 ASIHCDXTQPNHNP-JTQLQIEISA-N 204.298 2.784 30 20 BFED C[C@H]1CC[C@@H](OC(=O)c2ccsc2C#N)C1 923567620 VEEWTZUQKYKHRF-DTWKUNHWSA-N 235.308 2.965 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@@H](C)c1ccccn1 929346071 NUNLOQJIXBGZFM-RYUDHWBXSA-N 232.327 2.861 30 20 BFED C=C[C@H](CC)CC(=O)N1CCC[C@H](OC)CC1 935335750 UQVFTYZEKUXHNM-OLZOCXBDSA-N 239.359 2.616 30 20 BFED C=C(C)COC(=O)c1ccc(OCC2CC2)nc1 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246.354 2.881 30 20 BFED C#CCNC(=O)[C@H](C)S[C@@H](C)c1ccccc1 128450766 UOKWBNNZCFYOMD-RYUDHWBXSA-N 247.363 2.619 30 20 BFED C=CCC[C@@H](O)CN1C[C@@H](C)CCC[C@@H]1C 131125757 JIMYTLSIQJIGBF-MELADBBJSA-N 225.376 2.824 30 20 BFED C[C@H](CNC(=O)C1(C#N)CCCCC1)C1CC1 132764821 WSPYGUYTJLIUPT-LLVKDONJSA-N 234.343 2.623 30 20 BFED C=CCCC[C@H](C)N[C@@H](C)c1nccn1C 133099825 ZSFWMZONMDQBTK-RYUDHWBXSA-N 221.348 2.816 30 20 BFED C=CCCC(=O)CSc1nccs1 134806747 OGFRQDWKXVMEJC-UHFFFAOYSA-N 213.327 2.771 30 20 BFED C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](OCC)C1 134981673 AUXBJOVSJXMAJL-OCCSQVGLSA-N 239.359 2.616 30 20 BFED C[C@@H]1CC[C@@H](NCc2cccc(OCC#N)c2)C1 135184591 VTVLXNGOWLXFPW-TZMCWYRMSA-N 244.338 2.867 30 20 BFED CCC(C)(C)C(=O)Nc1ccc(C#N)c(C#N)c1 152623271 SMBNLUIBEAXCCQ-UHFFFAOYSA-N 241.294 2.805 30 20 BFED C=C(C)CNC(=O)Nc1cccc(C)c1 153442954 HGSFVVDHODYPML-UHFFFAOYSA-N 204.273 2.693 30 20 BFED C[C@@H]1CCC[C@@H](CC(=O)NC(C)(C)C#N)C1 155917833 VURJMSCJQYIUJG-GHMZBOCLSA-N 222.332 2.621 30 20 BFED 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219.309 2.941 30 20 BFED C=CCCCC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 177865408 FOASMJYYLBDYNP-OCCSQVGLSA-N 234.343 2.931 30 20 BFED C=CCOC(=O)c1ccnc(O[C@@H](C)CC)c1 182541294 OWYRQOZYHDDVBX-JTQLQIEISA-N 235.283 2.602 30 20 BFED C#CCC(C)(C)C(=O)NC[C@H]1CC=CCC1 185287693 YFJPOZSIDGQNPL-LBPRGKRZSA-N 219.328 2.508 30 20 BFED CC#CCCCC(=O)Nc1ccsc1 185819984 XYKDVJVINMAAQW-UHFFFAOYSA-N 207.298 2.880 30 20 BFED Cc1nc(CN[C@@H]2CCC[C@H](C#N)C2)sc1C 185844711 YVGPKQUZTBIZSK-NWDGAFQWSA-N 249.383 2.932 30 20 BFED CC(C)=C(C)C(=O)Oc1ccc(C#N)cc1 200758923 GEJHTIBRANZRCY-UHFFFAOYSA-N 215.252 2.820 30 20 BFED CCc1nnc(NCC=C(C)C)c(C#N)c1CC 234152698 YSVDKBHZBYEBBE-UHFFFAOYSA-N 244.342 2.851 30 20 BFED C#CCCCCC(=O)NC[C@H]1C[C@H]2CC[C@H]1C2 245603955 PZMVFXKWHQIELB-MELADBBJSA-N 233.355 2.732 30 20 BFED CC#CCN1C[C@H](c2ccsc2)O[C@H](C)C1 246405261 IXDZKRJSPQMHMN-DGCLKSJQSA-N 235.352 2.533 30 20 BFED C[C@@H](C#N)CN(C)CC#Cc1ccc(Cl)cc1 267353933 GKZJUGYDPRQKAK-LBPRGKRZSA-N 246.741 2.783 30 20 BFED 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C#CC1CCN(CCc2ccc(F)c(F)c2)CC1 830329659 AXVCPSQZWIOGHT-UHFFFAOYSA-N 249.304 2.853 30 20 BFED C[C@H]1CC(=NNc2ccc(F)cc2)[C@@H](C)O1 834918913 LXBBANZTGQJWMR-DTWKUNHWSA-N 222.263 2.791 30 20 BFED CC[C@H](C)NN=Cc1ccnc(Cl)c1F 834972344 GLNPUUKTSIKKEE-ZETCQYMHSA-N 229.686 2.596 30 20 BFED CC(=NNCC(C)(C)CO)[C@@H]1CCCC[C@@H]1C 834975491 NHXGEIDYAUSWJC-WCQYABFASA-N 240.391 2.797 30 20 BFED CC(C)ON=Cc1c(O)cccc1Cl 835000088 JXJRTEZWRUYOGG-UHFFFAOYSA-N 213.664 2.805 30 20 BFED CC(C)ON=C1[C@@H]2CCCO[C@@H]2C1(C)C 835001381 XFCSEUYZWFVBAQ-ONGXEEELSA-N 211.305 2.602 30 20 BFED CCC(CC)C(=O)[C@@H](C#N)c1cc(C)nc(C)n1 835061089 WVZXMVUZOVIAHT-LBPRGKRZSA-N 245.326 2.706 30 20 BFED C=C(CC)CNC(=O)CC1CCC(OC)CC1 837098742 BERCGDNORRFALO-UHFFFAOYSA-N 239.359 2.664 30 20 BFED C#CCC[C@@H](C)OC(=O)C1CCC(OC)CC1 839040686 CPWPPPAQNDMRQC-PNESKVBLSA-N 238.327 2.537 30 20 BFED C=C(Cl)CN[C@H](C(C)C)C1(CO)CCCC1 839614467 BCLATYGUUBKKFC-GFCCVEGCSA-N 245.794 2.906 30 20 BFED N#CCOc1cccc(OCCCCF)c1 842110443 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CC(C)ON=C1CCCc2scnc21 863116689 XDSOXATUOWICDD-UHFFFAOYSA-N 210.302 2.609 30 20 BFED O=[N+]([O-])c1ccc(O)c(/C=N\[C@@H]2CC23CCC3)c1 871598096 FTCUJKRUWJEUFC-UGMNDJHYSA-N 246.266 2.662 30 20 BFED C=C(C)COc1ccc(F)c(C(C)=O)c1 871802365 XNORIQLMGZHRQZ-UHFFFAOYSA-N 208.232 2.983 30 20 BFED C#C[C@@H](CC)OC(=O)C1CCC=CCC1 873522383 WZVHZABADRCVPV-LBPRGKRZSA-N 206.285 2.688 30 20 BFED CCC[C@@H](CC)C(=O)N[C@@](C)(C#N)C(C)C 874261025 LXWOQUXTTMPXGD-YPMHNXCESA-N 224.348 2.867 30 20 BFED CSc1ccc(C)c(C(=O)O[C@H](C)C#N)c1 875309991 CRLBKBQGLZNNAI-SECBINFHSA-N 235.308 2.786 30 20 BFED C=CCN(C(=O)CC(C)(C)C=C)C1CC1 879376747 FRNHZCQNUPFLIF-UHFFFAOYSA-N 207.317 2.766 30 20 BFED C/C(=C\C(=O)Nc1ncc(C#N)s1)C(C)(C)C 896480762 GZDAXXIDDJHATO-VMPITWQZSA-N 249.339 2.946 30 20 BFED C=C1CC(c2noc(-c3ncoc3CC)n2)C1 896881712 FBHWAXGZTXFCCG-UHFFFAOYSA-N 231.255 2.721 30 20 BFED C#Cc1ccc(N[C@H](C)CCn2cccn2)cc1 898500132 WWWXBDWOEQURSX-CYBMUJFWSA-N 239.322 2.755 30 20 BFED C/C(=C(/F)C(=O)N[C@@H](C#N)CC(C)C)C1CC1 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CCC[C@H](C#N)NC(=O)c1ccc(OCC)cc1 40352404 VFUBUADVTOQMLQ-GFCCVEGCSA-N 246.310 2.507 30 20 BFED Cc1csc([C@H](C#N)C(=O)c2ccoc2)n1 41518091 YNFQLQBVQNEYTE-SECBINFHSA-N 232.264 2.535 30 20 BFED CC(C)N(CCC#N)Cc1ccc(C#N)cc1 42528710 XMKRQLULZNLQIL-UHFFFAOYSA-N 227.311 2.682 30 20 BFED C[C@H](C#N)CN(C)C(=O)NC1CCCCCC1 42996247 FCLBMAALCFKTHE-LLVKDONJSA-N 237.347 2.510 30 20 BFED C[C@H](C#N)CN(C)c1ccc(C(F)(F)F)cn1 47952474 RVNSXZMKKFIWKM-MRVPVSSYSA-N 243.232 2.696 30 20 BFED N#Cc1ccc(Cl)cc1NC[C@H]1CCCO1 62785233 WAZIJYMLPSBVIT-LLVKDONJSA-N 236.702 2.803 30 20 BFED C#CCCNc1c(Cl)cccc1[N+](=O)[O-] 69791002 PHSHVXAOAHLTFO-UHFFFAOYSA-N 224.647 2.683 30 20 BFED C=C(Cl)CNC(=O)Nc1ccccc1F 76775440 XQZDJDSZUSHBCN-UHFFFAOYSA-N 228.654 2.700 30 20 BFED CC[C@@](C)(O)CNc1ccc(Cl)cc1C#N 82687871 XDEJVJJUXZLVGZ-GFCCVEGCSA-N 238.718 2.785 30 20 BFED CCC(CC)n1ccc(CN(C)CCC#N)n1 85175046 BADIBYDZHKBYQV-UHFFFAOYSA-N 234.347 2.590 30 20 BFED N/C(=N\CC(C1CC1)C1CC1)Nc1ccccc1 88459369 LUTDDTLMPHMSOC-UHFFFAOYSA-N 243.354 2.849 30 20 BFED Cc1csc(COc2ccccc2C#N)n1 89089236 VMZJPXSGYUHOFR-UHFFFAOYSA-N 230.292 2.902 30 20 BFED N#Cc1cc(F)ccc1N[C@H]1CCCC[C@H]1CN 89108340 GWDNFDLURVUELH-GWCFXTLKSA-N 247.317 2.627 30 20 BFED C=C(C)COC(=O)c1cc(F)ccc1OC 97109539 ACFUJJRFERUUIX-UHFFFAOYSA-N 224.231 2.567 30 20 BFED CCC[C@@H](NC(=O)CC#N)c1ccccc1 114729354 XEOGUPMBOMULMI-GFCCVEGCSA-N 216.284 2.558 30 20 BFED C=CCS[C@@H](C)C(=O)NCC1CCCCC1 114757249 JTQXTJCZZWTFBE-NSHDSACASA-N 241.400 2.991 30 20 BFED C#CCCCCC(=O)Nc1ccc(Cl)nc1 119547743 NMKSIPOWZULRTI-UHFFFAOYSA-N 236.702 2.867 30 20 BFED C=CCN(C)C(=O)c1cc(Cl)ncc1Cl 121863279 YJYJGWQTYZHFOR-UHFFFAOYSA-N 245.109 2.646 30 20 BFED C=C(C)CNC(=O)c1cc2ccccc2cc1O 122767630 JGEKCQDFCPCEIJ-UHFFFAOYSA-N 241.290 2.851 30 20 BFED C#C[C@@H](C)NCc1ccc(OCCCC)cc1 123021131 JJYKWHYTWIYEHW-CYBMUJFWSA-N 231.339 2.977 30 20 BFED CC[C@H](C#N)NC(=O)c1ccc(Cl)c(C)c1 126901151 NEIGGXPPZFEILW-SNVBAGLBSA-N 236.702 2.680 30 20 BFED CS[C@@H](C)CN[C@H](C)c1cccc(C#N)c1 135523195 GNAQSFXFYSUYIV-WDEREUQCSA-N 234.368 2.960 30 20 BFED C=C[C@H](C)NC(=O)CSCc1ccc(C)cc1 154069201 SSNMSGXTOWRXEI-LBPRGKRZSA-N 249.379 2.919 30 20 BFED C#CCOc1cc(F)ccc1NC(=O)CC1CC1 155145733 LNGKMMIFDWBHMT-UHFFFAOYSA-N 247.269 2.576 30 20 BFED C=C[C@@H](C)Nc1nnc(C(F)(F)F)s1 155597955 LSSGEVRBESSVTD-SCSAIBSYSA-N 223.223 2.543 30 20 BFED C[C@H]1CCCCN1Cc1ccc(C#N)o1 158931185 DKORPNSLFTZPBD-JTQLQIEISA-N 204.273 2.526 30 20 BFED Clc1cccc(C#CCSc2nnc[nH]2)c1 159162076 BKIFSHAOKDUUJF-UHFFFAOYSA-N 249.726 2.602 30 20 BFED C=CCN(C)C(=O)[C@@H](CC)Oc1cccc(C)c1 161870677 MOWGWCOWBLAKGD-CQSZACIVSA-N 247.338 2.797 30 20 BFED C=CCOC(=O)[C@@H](C)OC1CCCCCC1 162737096 MKJIEERYQAKZMG-LLVKDONJSA-N 226.316 2.844 30 20 BFED C=C(C)CN(C)c1nc2c(cc1C#N)CCCC2 165860097 MFYVSYNMYUBAPW-UHFFFAOYSA-N 241.338 2.844 30 20 BFED CCCCCCC(=O)N[C@H](C#N)CCC 166022824 NTCJJENABBPQDK-NSHDSACASA-N 210.321 2.765 30 20 BFED C=C(C)CN/C(N)=N/C[C@@H](CC)c1ccccc1 170907714 CVSUREFIQYVFBB-CYBMUJFWSA-N 245.370 2.661 30 20 BFED C=CCC(CC=C)C(=O)N1C[C@H]2[C@H](C1)C2(C)C 177177358 PFXPVNXFXRHUCC-STQMWFEESA-N 233.355 2.869 30 20 BFED C#CCCSc1nnc(-c2ccccc2)o1 178161345 IEAQNAIXCXYZQB-UHFFFAOYSA-N 230.292 2.852 30 20 BFED CC(C)N(CCCSCC#N)C(C)C 180450428 KQKLDDKEKZDYKG-UHFFFAOYSA-N 214.378 2.752 30 20 BFED N#Cc1ccc(OCCOCC2CC2)cc1F 181635823 HWHPGJGLPOHJLY-UHFFFAOYSA-N 235.258 2.503 30 20 BFED C=CCCC[C@@H](C)N[C@H](COC)C(C)C 182183340 XZFLSZFZLKYWAP-CHWSQXEVSA-N 213.365 2.992 30 20 BFED CC[C@H](CN[C@@H]1CCC[C@H](C#N)C1)N1CCCC1 185774934 GSRBYFMBYQNLIV-RRFJBIMHSA-N 249.402 2.533 30 20 BFED C#C[C@@H](C)NC(=O)[C@H](CC)Sc1ccccc1 186002955 YFHVBVLIHLURPP-YPMHNXCESA-N 247.363 2.695 30 20 BFED C#C[C@@H](C)NC(=O)N[C@H](C)c1cc(C)cc(C)c1 186100337 MCKAJJRSBQCQPK-CHWSQXEVSA-N 244.338 2.685 30 20 BFED C=CCC[C@@H](CCC)N(C)[C@@H](C)C[S@](C)=O 187826252 CCWCFRGMSAYQKQ-ZENOOKHLSA-N 245.432 2.820 30 20 BFED C=CCC[C@H](CC)NCCOCC(F)F 188746114 GFLDWSKBKJNUAV-JTQLQIEISA-N 221.291 2.603 30 20 BFED C#CCCCC(=O)Nc1ccc(CC)cc1 192034437 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239.340 2.812 30 20 BFED Cc1cc(C#N)nc(NC[C@H]2CCCS2)c1 892885482 YMLYYDAKFOLLNT-LLVKDONJSA-N 233.340 2.569 30 20 BFED C=CC1(OC(=O)CCC(C)(F)F)CC1 893365669 OQMKJZMAYUJSNS-UHFFFAOYSA-N 204.216 2.684 30 20 BFED CCC(O)(CC)CCNc1cc(C)cc(C#N)n1 893426120 BASHZNDHECRKGN-UHFFFAOYSA-N 247.342 2.615 30 20 BFED C=CCCCCNCc1cn(C)nc1C1CC1 893653779 CIXICUHQESAMJL-UHFFFAOYSA-N 233.359 2.743 30 20 BFED CC[C@@H](NCC1(C)COC1)c1cccc(C#N)c1 902802990 SPXDLWBTQJRFNS-CQSZACIVSA-N 244.338 2.635 30 20 BFED N#CC1(CN[C@@H]2CCCc3occc32)CCC1 903031729 DDXYMAPTSKLLAD-GFCCVEGCSA-N 230.311 2.940 30 20 BFED C=CC[C@@H]1CCCN([C@H](C(=O)O)[C@H](C)CC)C1 903603134 UKWSVALKVDZSSY-UPJWGTAASA-N 239.359 2.774 30 20 BFED C=CC[S@](=O)CCC1CCCCC1 905223872 JRSMKGQOXFAKMH-ZDUSSCGKSA-N 200.347 2.892 30 20 BFED CCCNN=C1C2CC3CC(C2)CC1C3 915965472 JOKXKABKCGRLOP-UHFFFAOYSA-N 206.333 2.798 30 20 BFED CCC/C=C\C(=O)OCc1cccc(C#N)c1 919239559 WEIQZXIJQSKPAO-YWEYNIOJSA-N 229.279 2.958 30 20 BFED N#C[C@H]1CCCN(C(=O)c2ccc(CF)cc2)C1 928214079 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229.327 2.826 30 20 BFED C[C@@H]1CCN(Cc2ccc(CC#N)cc2)[C@@H]1C 343529728 CERKMQGGRKRABI-CHWSQXEVSA-N 228.339 2.983 30 20 BFED C=CCC(C)(C)C(=O)NCc1ccncc1CC 345826242 PLRXRZFKSZNQGQ-UHFFFAOYSA-N 246.354 2.863 30 20 BFED C=CCN(Cc1cnc2cc(C)ccn12)C1CC1 350323874 WNJGIJCXWRWFHG-UHFFFAOYSA-N 241.338 2.793 30 20 BFED C=C(C)CCN1CC[C@H](C2CCOCC2)C1 351750775 AYBOGCZJCWXDFE-AWEZNQCLSA-N 223.360 2.701 30 20 BFED C=CCC[C@H](O)CNC1(C(F)F)CCCCC1 352200985 CQYZTNBFRUCYFJ-NSHDSACASA-N 247.329 2.871 30 20 BFED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)C#N 352210621 LRWVOXMETSYXPF-ZDUSSCGKSA-N 242.322 2.751 30 20 BFED CC#CCCNC(=O)CCCC(C)(C)C 354112626 LCDZSGMYLVBOFV-UHFFFAOYSA-N 209.333 2.732 30 20 BFED C=CCN(C(=O)c1cc([C@H](C)CC)no1)C1CC1 357515076 VIBIRHKKWXXHGL-SNVBAGLBSA-N 248.326 2.979 30 20 BFED CC#CCCCC(=O)N(CC)[C@@H](C)C(F)(F)F 357887691 XBGZITLHAXKPLE-JTQLQIEISA-N 249.276 2.979 30 20 BFED C=C[C@@H](C)NC(=O)N1CCc2ccccc2[C@H]1C 362369803 HTCMZDFZAQEVCV-VXGBXAGGSA-N 244.338 2.890 30 20 BFED 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2.618 30 20 BFED C#CCSCC(=O)OC1(c2ccccc2)CC1 1342663749 XIMCAGWEOXNDAC-UHFFFAOYSA-N 246.331 2.585 30 20 BFED C=C(C)[C@H](C)OC(=O)c1ccnn1[C@H](C)CC 1343308953 RUHKWQGYXXJWFB-MNOVXSKESA-N 236.315 2.976 30 20 BFED C#Cc1ccc(N2[C@@H](CC)CC[C@H]2C)nc1 1354152129 NPOKIHQYPFVRHV-YPMHNXCESA-N 214.312 2.830 30 20 BFED C=C(CC)C(=O)N[C@@H]1C[C@@H](OC(C)C)C1(C)C 1519884130 WSCTUAZTPACLEM-VXGBXAGGSA-N 239.359 2.661 30 20 BFED C=CC[C@H](N[C@@H](C)c1cc(C)oc1C)C(=O)O 1588744971 FJUWMAAKQRHQBI-CABZTGNLSA-N 237.299 2.576 30 20 BFED C=C(C)CCN1CC=C(C2(C(=O)O)CCC2)CC1 1776139424 UOSCOFWWRHPJLM-UHFFFAOYSA-N 249.354 2.840 30 20 BFED C=CCC[C@H](NCc1ccc(C=C)cc1)C(=O)O 1776166851 DFDTZXZACSODFF-AWEZNQCLSA-N 245.322 2.839 30 20 BFED C[C@H](NCCC#N)c1ccc(OC(F)F)cc1 20200121 HAZOAIRKAVTFGR-VIFPVBQESA-N 240.253 2.852 30 20 BFED C#Cc1cccc(NCc2cscn2)c1 40504050 FXGUEVMJISMYHQ-UHFFFAOYSA-N 214.293 2.737 30 20 BFED CCCN(CC#N)C(=O)CCCc1ccccc1 44372514 UVCZJPZQNSOPLT-UHFFFAOYSA-N 244.338 2.771 30 20 BFED 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2.575 30 20 BFED C=CCCCOC(=O)C1=Cc2ccccc2OC1 117993810 ZUSAPOLRYKTKFB-UHFFFAOYSA-N 244.290 2.972 30 20 BFED C=CCCCOC(=O)c1cccc(Cl)n1 117995025 MFZXMEWZDIHTMR-UHFFFAOYSA-N 225.675 2.858 30 20 BFED C=CCNC(=O)C[C@@H](C=C)c1ccccc1 121858541 UWBOZRKXWMGURN-GFCCVEGCSA-N 215.296 2.649 30 20 BFED C=CCN(C)C(=O)Nc1ccc(Cl)cc1 122382134 QBYNWPPYVLIXOA-UHFFFAOYSA-N 224.691 2.990 30 20 BFED CC[C@@H](C#N)NC(=O)[C@@H](c1ccccc1)C(C)C 123578915 XCWQTVOZZJBLQY-UONOGXRCSA-N 244.338 2.845 30 20 BFED C[C@@H]1CCCN(C(=O)CC#N)c2ccccc21 124782706 VPVUGECIEYFSAV-LLVKDONJSA-N 228.295 2.831 30 20 BFED C=C[C@@H](C)NC(=O)N1CCC2(CCCC2)C1 128351474 FPAIKZMBKRACRV-LLVKDONJSA-N 222.332 2.537 30 20 BFED N#Cc1ncccc1NCCc1ccc(F)cc1 129814058 HUABENRSRJXTLY-UHFFFAOYSA-N 241.269 2.747 30 20 BFED C[C@H](NCc1ccc(C#N)cc1F)C1CCC1 130698268 XJMPESADAVGPKE-JTQLQIEISA-N 232.302 2.976 30 20 BFED C=CCCCN(C)C(=O)[C@@H]1C[C@@]1(C)CC 131278475 VFUPEHSMRRHLMM-WCQYABFASA-N 209.333 2.847 30 20 BFED CC#CCN[C@H]1C[C@@H](OCCCC)C1(C)C 132949727 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2.604 30 20 BFED C[C@H](C#N)CN(C)c1ccc2ccc(F)cc2n1 271643903 QIGODGUJOHLGAI-SNVBAGLBSA-N 243.285 2.970 30 20 BFED C=CCC[C@@H](CC)NCC1=CCN(C)CC1 271807998 AFPPZIJHVWVIJD-CQSZACIVSA-N 222.376 2.583 30 20 BFED C=C(C)CCN(C)Cc1scnc1C 274810396 UXNAKGIGKFGSPW-UHFFFAOYSA-N 210.346 2.850 30 20 BFED C=CCCCCNC(=O)/C=C/c1cccc(O)c1 275935792 ILTAPYDXAOBYFV-MDZDMXLPSA-N 245.322 2.878 30 20 BFED C=CCN(CC=C)C(=O)C1(CC=C)CCC1 279251695 IGXSZKMEPPAJGE-UHFFFAOYSA-N 219.328 2.933 30 20 BFED C=CC[C@H](CC)NC(=O)NCC(C)(C)SC 281510815 XIILLFZOKQLXDB-JTQLQIEISA-N 244.404 2.782 30 20 BFED Cc1nsc(NCCCOC(C)C)c1C#N 287177046 ZGOVBKBFBMEMTE-UHFFFAOYSA-N 239.344 2.550 30 20 BFED CC(C)=CCCNc1ccnc(C#N)c1 287969780 ZOQVLBHYLXJSCH-UHFFFAOYSA-N 201.273 2.721 30 20 BFED C=C[C@](C)(CC)c1nc(-c2ccn(C)c2)no1 289340530 GCLXDASFNGWPLC-CYBMUJFWSA-N 231.299 2.929 30 20 BFED C=CC(C)(C)C(=O)Nc1cc(C(C)C)n[nH]1 294957769 WJYFXCZTVZZAFQ-UHFFFAOYSA-N 221.304 2.684 30 20 BFED C=CCC(C)(C)C(=O)NC1CC(F)(F)C1 295330847 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BFED CC1(C/N=C(/O)[C@H]2CCC(=O)c3cccn32)CC1 329883080 QRSLFFAEMZBXGM-LLVKDONJSA-N 246.310 2.762 30 20 BFED O/C(CCc1cnccn1)=N/C1CCCCC1 330000263 WDGVFQVOZQEQHA-UHFFFAOYSA-N 233.315 2.698 30 20 BFED C[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)C(C)(F)F 332453169 HDILPKUGOJATJN-LDYMZIIASA-N 246.301 2.722 30 20 BFED C=C[C@H]1CCCCN1C(=O)c1ccccc1O 334250580 USBYPZNAXQFPMF-NSHDSACASA-N 231.295 2.573 30 20 BFED N#C[C@@H]1CC[C@@H](N2CCC(C(F)(F)F)CC2)C1 334368122 SAEKLEQBSVUBRV-MWLCHTKSSA-N 246.276 2.953 30 20 BFED C=C[C@H](C)NC(=O)[C@@H]1CC2CCC1CC2 334436361 GRQJIRZWJRTCQH-WNYYMSAVSA-N 207.317 2.503 30 20 BFED CC1(C)CCN(c2ncc(C#N)cc2F)CC1 334577033 HHLQSBQBAAZICQ-UHFFFAOYSA-N 233.290 2.719 30 20 BFED Cc1cc(Cl)cnc1NC(=O)[C@]1(C#N)C[C@H]1C 335181462 ZUDQBSRYEUBXDC-PELKAZGASA-N 249.701 2.532 30 20 BFED N#Cc1ccc(CN[C@H]2CCC[C@H](F)C2)o1 335370913 BPGJMLMQZREENF-UWVGGRQHSA-N 222.263 2.522 30 20 BFED CCC[C@@]1(C)CCCN(C(=O)[C@H](C)C#N)C1 335444876 NAIDLGXQMIPTAI-YPMHNXCESA-N 222.332 2.575 30 20 BFED 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2.611 30 20 BFED C=C[C@@H](CC)CC(=O)N1CC2(CCCC2)C1 1119969006 ZBVIGISOGWRPLT-LBPRGKRZSA-N 221.344 2.991 30 20 BFED C=CC[C@H](NC(=O)CC1CC1)c1ccncc1 1251886264 RXKYZTSRTVPHGZ-ZDUSSCGKSA-N 230.311 2.615 30 20 BFED C=C(CC)C(=O)N[C@@H](CC)[C@@H]1CC1(C)C 1263843228 SHDJXVRMLUHORF-QWRGUYRKSA-N 209.333 2.894 30 20 BFED C[C@H]1CCN(C(=O)CC#Cc2ccccc2)[C@H]1C 1319128411 RYJOKTNMWKNBSI-KBPBESRZSA-N 241.334 2.685 30 20 BFED C#CCN(CC1CC1)C(=O)[C@@H]1C[C@]1(C)C(C)C 1320437630 SCZAHNRXTINFLX-DZGCQCFKSA-N 233.355 2.540 30 20 BFED Cc1cc(C=NNc2ccn(C)n2)ccc1Cl 1321017843 SFBKMIXVPIEHJY-UHFFFAOYSA-N 248.717 2.828 30 20 BFED N#CCc1cccc(N2C[C@H]3CCCC[C@H]3C2)n1 1324427816 ARWWODPHXXLJJZ-BETUJISGSA-N 241.338 2.774 30 20 BFED C=C(C)CCC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 1335778481 QCUPXGVTQNFFLL-JSGCOSHPSA-N 234.343 2.931 30 20 BFED C=CC[C@H](N[C@H](C)CCCC(C)C)C(=O)O 1339134068 IKWAXIAHFLFJPR-NEPJUHHUSA-N 227.348 2.820 30 20 BFED CC[C@@H](F)C(=O)N1CCCc2cc(C#N)ccc21 1340753355 NBOIQQNVYRFUHU-GFCCVEGCSA-N 246.285 2.586 30 20 BFED Cc1cc(C(=O)[C@H](C#N)c2cccc(F)n2)co1 1344029366 KLBWJNGSHVWJNU-SNVBAGLBSA-N 244.225 2.612 30 20 BFED N#C[C@@]1(C(=O)NC/C=C/C2CC2)CC12CCCC2 1344336669 SAQKSDJMSXUVKW-NHZBNJEXSA-N 244.338 2.543 30 20 BFED C=C[C@@H](CC)CC(=O)O[C@H](COC)C1CC1 1347634849 HMZCMJWVPGDXJK-CMPLNLGQSA-N 226.316 2.557 30 20 BFED C#CCCCC(=O)OCc1ccc(C#C)cc1 1348315709 NHMWIRVMPOLZNU-UHFFFAOYSA-N 226.275 2.515 30 20 BFED Cc1ccc(C#N)cc1C(=O)Nc1ccccn1 1348826182 VJQZCDBXRNFGQZ-UHFFFAOYSA-N 237.262 2.514 30 20 BFED C=CCOCCCC(=O)OCCC=C(C)C 1350053200 ZIIZTLOBYZQORB-UHFFFAOYSA-N 226.316 2.869 30 20 BFED C=C(C)CCC(=O)N1CCCC(F)(F)CC1 1354898080 GJDVJOQXWRUXPV-UHFFFAOYSA-N 231.286 2.991 30 20 BFED C#CCSc1cc(Cl)ccc1C(=O)O 1588509812 OGLBAHVESCTSTK-UHFFFAOYSA-N 226.684 2.764 30 20 BFED C=CCC1(C(=O)O)CCN(CCCC)CC1 1776159933 JOJZQIWCUIMDOV-UHFFFAOYSA-N 225.332 2.529 30 20 BFED C[C@@H](c1ccccc1)c1nccc(C#N)n1 1898208033 INEIHENYBJWBCD-JTQLQIEISA-N 209.252 2.500 30 20 BFED CCO[C@@H]1CCCN(c2ccc(C#N)cc2)C1 42425028 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20 BFED C=C(C)CCOc1cc2c(cc1C=O)OCO2 160146793 SXXRUCJFKKQWFA-UHFFFAOYSA-N 234.251 2.573 30 20 BFED C[C@@H](O)C[C@@H](C)Nc1ccc(C#N)cc1Cl 164883304 FLKVCHGKVIDRAR-RKDXNWHRSA-N 238.718 2.783 30 20 BFED C#C[C@H](C)NCc1ccc2ccccc2c1 166371775 KYESGAYWUZCQSA-LBPRGKRZSA-N 209.292 2.951 30 20 BFED C#CCCCOC(=O)[C@H](C)SCCCC 170711043 LBVPDYVORJZYGJ-NSHDSACASA-N 228.357 2.865 30 20 BFED CC(C)(C)CCCC(=O)N1CCC(C#N)CC1 171535788 FYZYKSZQHZWTMS-UHFFFAOYSA-N 236.359 2.965 30 20 BFED C#CCCCNC(=O)N(C)[C@H]1CCC[C@H](C)C1 173321776 DSMZGZODLKSZRX-STQMWFEESA-N 236.359 2.620 30 20 BFED CC#CCOC(=O)c1ccc(OCC2CC2)cc1 175373187 AIXQNQPFDQVUFE-UHFFFAOYSA-N 244.290 2.656 30 20 BFED C=CCNC(=O)N[C@H]1CCCC[C@H]1SCC 175632044 CCTNUTPLYMWEHU-WDEREUQCSA-N 242.388 2.536 30 20 BFED C=C(C)CSCCC(=O)NC(C)(C)C 177867606 GYFOZHGVMKUTDK-UHFFFAOYSA-N 215.362 2.601 30 20 BFED Cc1csc([C@H](NCCCC#N)C2CC2)n1 181618184 XROZPSKMCPTLKT-LLVKDONJSA-N 235.356 2.796 30 20 BFED CC[C@H](C)[C@H](C)C(=O)N(C)C1(C#N)CCC1 182222471 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236.359 2.668 30 20 BFED C#CCC[C@H](C)OC(=O)[C@@H](F)Cc1ccccc1 839040914 DQMFPBAFMRMOPM-JSGCOSHPSA-N 248.297 2.912 30 20 BFED C#C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 839728161 HTMJDBRWUQEOOK-JIMOISOXSA-N 247.725 2.581 30 20 BFED C#CCC(C)(C)C(=O)NC[C@@H]1CCC[C@@H]1C1CC1 839809316 YXUSBZYCOALPEA-UONOGXRCSA-N 247.382 2.978 30 20 BFED C=CC[C@@H](C)NC(=O)Nc1cc(N)ccc1C 841318960 SJYFFJRNBJFBSG-SNVBAGLBSA-N 233.315 2.663 30 20 BFED CCC(=NOCC(F)(F)F)[C@@H]1C[C@H]1C 841630432 OXTFQPJWLMUDST-RNFRBKRXSA-N 209.211 2.987 30 20 BFED C[C@@H]1CC(=NNc2cccc3cnccc23)CO1 842526131 LGNVWTHIMRAZCY-SNVBAGLBSA-N 241.294 2.812 30 20 BFED C=CCC(CC=C)C(=O)N(OCC)C(C)C 844076190 XORNXCLOJFFKFE-UHFFFAOYSA-N 225.332 2.943 30 20 BFED C=C[C@@H](C)ON=Cc1ccc(OC)cc1OC 844623522 OIYBLJNCBZAQBS-SNVBAGLBSA-N 235.283 2.629 30 20 BFED CC#CCCOC(=O)[C@@H]1CCc2ccccc2C1 845216753 UJSMPJYHKFENDO-OAHLLOKOSA-N 242.318 2.748 30 20 BFED C=C[C@@H](C)OC(=O)c1cccc2c1OCCCO2 845523116 TWQQJIQWDYUWCN-SNVBAGLBSA-N 248.278 2.579 30 20 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2.790 30 20 BFED Cc1ccc(Oc2ccc(C#N)nn2)cc1C 301863170 ASXIOEVUTJBQCF-UHFFFAOYSA-N 225.251 2.757 30 20 BFED C=CCCCNCc1ccc(OC)cc1F 304214319 FYHROAMSYGMEAS-UHFFFAOYSA-N 223.291 2.890 30 20 BFED C=CCC[C@@H](O)CN(C(C)C)C1CCCC1 305097184 VCEPHDCHGBRTLB-CQSZACIVSA-N 225.376 2.967 30 20 BFED CON=Cc1ccc(C)c(Br)c1 308000571 ZHOLCWCHEDDYQT-UHFFFAOYSA-N 228.089 2.738 30 20 BFED Cc1cc(F)cc(C(=O)NCC(C)(C)CC#N)c1 315922603 GIPXGYRMKZQNLU-UHFFFAOYSA-N 248.301 2.804 30 20 BFED CCC1CCC(C(=O)NCCCC#N)CC1 328341611 MLVOUFKXRPLXTR-UHFFFAOYSA-N 222.332 2.623 30 20 BFED CC(C)CCC(=O)N[C@@](C)(C#N)CC(C)C 332437467 CSYZPXBHXPJFMV-CYBMUJFWSA-N 224.348 2.867 30 20 BFED C[C@H](C#N)C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 334390069 SLYZPGHVVRXSHF-CHWSQXEVSA-N 248.370 2.965 30 20 BFED CC[C@](C)(C#N)C(=O)N1CC(C)(C)[C@@H]1C1CC1 335331519 LMBHBJDUUUBQLZ-SMDDNHRTSA-N 234.343 2.573 30 20 BFED C[C@H]1Cc2ccccc2N1C(=O)CC(C)(C)C#N 336043703 DECJYYQOMFQMAY-NSHDSACASA-N 242.322 2.904 30 20 BFED C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)CC#N 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30 20 BFED C=C(C)CN(CC)C(=O)C(C)(C)C(F)F 348047839 LONGRHBCBPKSFG-UHFFFAOYSA-N 219.275 2.702 30 20 BFED CC(C)(CCC#N)CNC(=O)N[C@@H]1C=CCCC1 354174363 XGNMGFASXDGXKG-GFCCVEGCSA-N 249.358 2.724 30 20 BFED C=C[C@@](C)(CC)C(=O)N[C@H](COCC)C(C)C 355946027 UCDSVJNZWCRXEL-OCCSQVGLSA-N 241.375 2.766 30 20 BFED N#Cc1ncn(CCc2ccc3ccccc3c2)n1 358008501 VBCWTGBYTPYERR-UHFFFAOYSA-N 248.289 2.546 30 20 BFED C=CCN(CC=C)C(=O)[C@H]1CCC(F)(F)C1 359644650 WVNIYXVSVPURCF-JTQLQIEISA-N 229.270 2.622 30 20 BFED C=C[C@@H]1CCCCN1C(=O)NCc1ccccc1 362475324 YNFXKLONNZLHJW-CQSZACIVSA-N 244.338 2.937 30 20 BFED C#CCCNc1cc(F)c(OC)cc1C 379999703 LZFKKUKRENTAEQ-UHFFFAOYSA-N 207.248 2.578 30 20 BFED C[C@H](Cc1cccs1)NCC(C)(C)C#N 380143598 WFQJQPXTWCUAGT-SNVBAGLBSA-N 222.357 2.818 30 20 BFED C#C[C@](C)(CC)NC[C@@H]1CCC2(CCCC2)O1 384219106 RPJUSEFSUJEQCN-UONOGXRCSA-N 235.371 2.870 30 20 BFED CC[C@H](C#N)C(=O)N(Cc1ccccc1)C1CC1 384403803 CAHIVPNRHKNIQC-CYBMUJFWSA-N 242.322 2.727 30 20 BFED CCCCCCCN1C[C@@H](O)C(C)(C)C1 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CCc1ccc(C(=O)NCC2(CC#N)CC2)cc1 404177554 YNKJHNGNMMTNKW-UHFFFAOYSA-N 242.322 2.673 30 20 BFED CCC[C@H](C#N)N(C)C(=O)C[C@H]1C=CCCC1 410834988 MEWKDRXCCSFJQY-QWHCGFSZSA-N 234.343 2.883 30 20 BFED C=C[C@@H]1OCC[C@H]1CN[C@H]1CCC[C@H]1C1CC1 424294719 LJICRPJDBKDFFC-AJNGGQMLSA-N 235.371 2.746 30 20 BFED C[C@H](CC(=O)N[C@@H]1CC[C@H](C#N)C1)C(C)(C)C 424964234 AMVJZKZAVNSAPT-GRYCIOLGSA-N 236.359 2.867 30 20 BFED CCc1nc(CCN[C@@H]2CC[C@H](C#N)C2)cs1 442779016 KTEGAZJOBZOTDM-WDEREUQCSA-N 249.383 2.530 30 20 BFED CC(C)Oc1ccc(N[C@H]2CC[C@H](C#N)C2)cn1 442852408 YATUTLTUENQQLU-RYUDHWBXSA-N 245.326 2.973 30 20 BFED C=C(C)CCNC(=O)c1ccc(F)cc1F 448551271 ZERBONOZECBRRK-UHFFFAOYSA-N 225.238 2.661 30 20 BFED C=CCC1(CNC2CCOCC2)CCCC1 449603374 GGIMHVASJVFHDR-UHFFFAOYSA-N 223.360 2.892 30 20 BFED C=CCCC[C@H](C)NC(=O)CSC1CC1 450420209 BOXZLBQCCQQKSF-JTQLQIEISA-N 227.373 2.743 30 20 BFED C=CC[C@H](C)[C@H](C)NC[C@H]1CC[C@@H](C)O1 453419979 XQKRKMCGPQBMAC-QNWHQSFQSA-N 211.349 2.744 30 20 BFED C=C(C)CCNC(=O)NCCSCC(C)C 454710876 GBVKJZAFHGDUBZ-UHFFFAOYSA-N 244.404 2.641 30 20 BFED C=CC[C@H](CC)NC(=O)NCC(C)(C)C=C 454907707 ISFWSQYBGLVIGV-NSHDSACASA-N 224.348 2.853 30 20 BFED Cc1nc(C)c(CNCC(C)(C)CC#N)s1 459683490 BADUNLFSRMIXDY-UHFFFAOYSA-N 237.372 2.789 30 20 BFED CC(C)(C#N)CCCCN1[C@H]2CC[C@H]1COC2 459736864 BPXJMZAJSPGQQA-STQMWFEESA-N 236.359 2.570 30 20 BFED C=C[C@H]1CCCCN1C(=O)[C@@H](C)CCCOC 488845132 VWEYCGWBULMINU-STQMWFEESA-N 239.359 2.616 30 20 BFED C=CCC(C)(C)CNC(=O)[C@H](C)C(C)C 489953428 BYFAEBDZWZPLQM-LLVKDONJSA-N 211.349 2.997 30 20 BFED COCC(C)(C)CNCc1ccc(C#N)c(C)c1 491428486 FUOPKDBIRJXODK-UHFFFAOYSA-N 246.354 2.629 30 20 BFED CC(C)(C)[C@@H](C#N)NC(=O)/C=C\C1CCCC1 493544382 BMYYVSGMNVICIK-JLVNDZCYSA-N 234.343 2.787 30 20 BFED C=C(C)CN1CCC(N[C@@H](C)[C@@H]2CC23CC3)CC1 527858452 KIHVHDJLPKKKDS-ZFWWWQNUSA-N 248.414 2.805 30 20 BFED C=C(C)CN(CC)C(=O)Nc1ncsc1C 529147491 SLVGQVSEDNJICG-UHFFFAOYSA-N 239.344 2.881 30 20 BFED CC[C@](C)(C#N)NC(=O)Cc1c(C)cccc1C 539642077 LAOZRLJNCCYHJX-OAHLLOKOSA-N 244.338 2.654 30 20 BFED C=CCN(CCC#N)C(=O)C1(C)CCCCC1 552754790 AQMAEVUFRDFKIN-UHFFFAOYSA-N 234.343 2.885 30 20 BFED CC[C@@H](C)CCC(=O)N[C@](C)(C#N)CC 556812251 BKEIADCSBAIRPC-PWSUYJOCSA-N 210.321 2.621 30 20 BFED CC[C@@H](C)C[S@@](=O)c1cccc(F)c1C#N 566488846 OSHHCGTWMXPKNS-JDNHERCYSA-N 239.315 2.851 30 20 BFED CC(C)[C@H](O)CSc1cccc(F)c1C#N 570176938 TZUBUBLJRQWXMG-LLVKDONJSA-N 239.315 2.806 30 20 BFED CC[C@]1(C)CCCN(C(=O)NCC2(C#N)CC2)C1 572554547 AEIOKCXJSNREQJ-CYBMUJFWSA-N 249.358 2.512 30 20 BFED CC1(C#N)CN(Cc2cc(F)ccc2Cl)C1 578400894 QPIJNNQQVOMYDE-UHFFFAOYSA-N 238.693 2.825 30 20 BFED Cc1cnccc1CN1CCC[C@@](C)(C#N)C1 590649050 OIKQJAGRIMQNIQ-AWEZNQCLSA-N 229.327 2.516 30 20 BFED CC[C@H](CC(F)F)CN(C)C[C@H](C)C#N 595301395 JYGQPIBLQARPHB-NXEZZACHSA-N 218.291 2.759 30 20 BFED C[C@@H](CC#N)N(C)C(=O)c1ccsc1Cl 597146825 ZTVWCHAOMOTUFG-ZETCQYMHSA-N 242.731 2.776 30 20 BFED CC(C)C1CN(C(=O)CC2(C#N)CCCCC2)C1 597433468 MZYMGTBQRXIGCC-UHFFFAOYSA-N 248.370 2.965 30 20 BFED CC1(C)C[C@]1(C#N)NC(=O)C1CCC2(CC1)CC2 597671748 OWIBHMVHHCRJSL-OAHLLOKOSA-N 246.354 2.765 30 20 BFED CCCC[C@H](C)N(C)C[C@@H](O)CC(C)(C)C#N 598616975 ONLWFVWWVDOGEZ-STQMWFEESA-N 240.391 2.798 30 20 BFED CC(C)(C#N)CC(=O)N1CC(c2ccccc2)C1 601703077 ZDFSCJGUSUTADK-UHFFFAOYSA-N 242.322 2.552 30 20 BFED CSc1ccc(=NC[C@H](C)CCC#N)[nH]c1 602567963 HDVQDEKBDCYIKS-SNVBAGLBSA-N 235.356 2.577 30 20 BFED C[C@H](CC#N)NC(=O)C[C@H]1CCCC[C@H]1C 604573401 RHOUNDBLGRWPEQ-IJLUTSLNSA-N 222.332 2.621 30 20 BFED C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CC23CCC3)C1 610739412 MYXJLUDUQOVIBT-LALPHHSUSA-N 246.354 2.765 30 20 BFED CCN(CC#N)C(=O)C(CC)(CC)CC 610754320 YMNPCXQQLADNLI-UHFFFAOYSA-N 210.321 2.575 30 20 BFED N#CCCCN[C@@H]1CCc2c(F)cc(F)cc21 612049385 HUCIIDPINUYOBH-CYBMUJFWSA-N 236.265 2.845 30 20 BFED C=CCCNC(=O)C1[C@H]2CCCCCC[C@H]12 617611916 VYACSXSTHMUKKJ-RYUDHWBXSA-N 221.344 2.895 30 20 BFED C=CCCC(C)(C)NC(=O)CCC1(O)CCC1 633655028 XTXQIIMJFWWNHL-UHFFFAOYSA-N 239.359 2.543 30 20 BFED 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2.944 30 20 BFED C#CCN(C[C@H]1C[C@H]2C=C[C@H]1C2)C(C)C 732208291 MASXAEIKPDPYQO-MELADBBJSA-N 203.329 2.542 30 20 BFED C=C(Cl)CNC(=O)c1cc2ccc(C)cc2[nH]1 736245020 CATBNQNNPZEWEH-UHFFFAOYSA-N 248.713 2.959 30 20 BFED C[C@H]1CCCC(=NNc2ccnc(N(C)C)n2)C1 739413894 RHZILOLLZFQAFB-JTQLQIEISA-N 247.346 2.521 30 20 BFED CCCCNN=C1C[C@H](OCC)C12CCC2 741162791 ILJUOFABZZDKIT-LBPRGKRZSA-N 224.348 2.711 30 20 BFED C=CCOC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 744042160 JZAMGIJVDAEFCJ-ZJUUUORDSA-N 238.233 2.798 30 20 BFED CC#CCOC(=O)c1cc2ccc(C)cc2[nH]1 744454039 QONQFWSVJZUHEB-UHFFFAOYSA-N 227.263 2.656 30 20 BFED C=C(Cl)COC(=O)c1ccc(OC)cc1C 745341208 UVVHIIUSAIJICU-UHFFFAOYSA-N 240.686 2.913 30 20 BFED CC(=NOCC(C)C)c1ccc(O)c(F)c1 749631147 IHYUIYKSZBSGAQ-UHFFFAOYSA-N 225.263 2.928 30 20 BFED CC(C)=C(C)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 751202065 HQGBEDYELDVTNB-RISCZKNCSA-N 234.343 2.931 30 20 BFED CC#CCCOC(=O)[C@H](C)Oc1cccc(C)c1 760285331 YODABCHPZHWADW-ZDUSSCGKSA-N 246.306 2.719 30 20 BFED 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20 BFED CC(C)C[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 837447407 FTBUJVKSNLSDGG-ZDUSSCGKSA-N 235.371 2.931 30 20 BFED C=CCONC(=O)N[C@H]1CCCC[C@H]1CCC 838707394 JZDYEHHNIAXNON-NEPJUHHUSA-N 240.347 2.762 30 20 BFED N#C[C@H]1CCC[C@H](OC(=O)C2(F)CCCC2)C1 839054794 WDJQAVLIPOLLCI-QWRGUYRKSA-N 239.290 2.894 30 20 BFED CN(C(=O)Cc1ccccc1CC#N)C(C)(C)C 843713450 RREAYXAMSCAMPF-UHFFFAOYSA-N 244.338 2.552 30 20 BFED N#CCCCOC(=O)[C@H]1CCc2ccccc2C1 845214141 IVELTBWNHGRGRY-AWEZNQCLSA-N 243.306 2.638 30 20 BFED C=C[C@H](C)ONC(=O)N1CC[C@@H](C)C(C)(C)C1 845626106 RARFBUMPKNKTTG-MNOVXSKESA-N 240.347 2.570 30 20 BFED C#CCCN(CCOC)Cc1ccc(CF)cc1 852751164 RGZWUMLTPYENLX-UHFFFAOYSA-N 249.329 2.628 30 20 BFED COc1ccc(C=NN2CCCC[C@H]2C)cc1 853379271 MMFOBHVHBLSNKR-GFCCVEGCSA-N 232.327 2.904 30 20 BFED CCc1cc(NC(=O)C#CC(C)C)ccc1F 854417904 XXQYOXVDDKTTAR-UHFFFAOYSA-N 233.286 2.986 30 20 BFED C=Cc1ccc(CCNC(=O)C#CC(C)C)cc1 854569039 AGZNXJXIVDXKAO-UHFFFAOYSA-N 241.334 2.648 30 20 BFED C#C[C@@](C)(CC)NC(=O)/C=C\c1ccsc1 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BFED N#CC1CCN([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 906592595 RRLZOVVIZBNIBF-HUUCEWRRSA-N 244.313 2.917 30 20 BFED C=C(Cl)CN1CCC(c2ncco2)CC1 931442305 BUPNSLRPJMCGTD-UHFFFAOYSA-N 226.707 2.607 30 20 BFED C=CC1CCN(C(=O)c2cccc(F)c2O)CC1 932503944 GENCHNZNOKMYIL-UHFFFAOYSA-N 249.285 2.570 30 20 BFED C=C[C@H](CC)CC(=O)Nc1cnn(CC2CC2)c1 933818901 KUNXRTBHHWSMMI-LLVKDONJSA-N 247.342 2.834 30 20 BFED C=C[C@H](CC)CC(=O)NCCc1ccccc1O 934938568 FKBDYELBNGXBKG-GFCCVEGCSA-N 247.338 2.653 30 20 BFED C=CC[C@@H](CC)NC(=O)c1ccc(OCC)nc1 1116915539 IWCXSKWCFMUDSC-GFCCVEGCSA-N 248.326 2.565 30 20 BFED C=CCC[C@H]1CCCN1C(=O)c1ccsn1 1120734363 YAYAPIFIIYCGDU-JTQLQIEISA-N 236.340 2.714 30 20 BFED C/C(=C\C(=O)O[C@@H](C)CC#N)c1cccs1 1122425202 PCBVKOJVDDOGMW-DDXVTDLHSA-N 235.308 2.997 30 20 BFED C=CCNC(=S)N1CC[C@H]2CCCC[C@@H]2C1 1200292465 HMJZAFYHCNBUKQ-VXGBXAGGSA-N 238.400 2.559 30 20 BFED CCCCOC(=O)c1csc(C#N)c1 1261292072 SNVMTHLGZTYJGL-UHFFFAOYSA-N 209.270 2.577 30 20 BFED C#Cc1ccc(N2CCCC[C@H]2C=C)nc1 1262694198 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20 BFED C#C[C@@H](CC)OC(=O)c1cc(C)cc(Cl)n1 1344743645 LCJBBJCJGJDVRX-VIFPVBQESA-N 237.686 2.612 30 20 BFED Cc1nc(C=NOCC(C)C)sc1C 1345041273 FPFJUYVEGAMMCF-UHFFFAOYSA-N 212.318 2.766 30 20 BFED C[C@H]1CC[C@@H](C)N1C(=O)c1csc(C#N)c1 1347825509 NCJLHCLMXSMEPQ-DTORHVGOSA-N 234.324 2.633 30 20 BFED C=C(C)COC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 1352856087 GASOJHAORHFPMP-UONOGXRCSA-N 246.306 2.918 30 20 BFED Cc1ccc(NC(=O)c2csc(C#N)c2)cn1 1525455978 CIFPLXJGPMSXME-UHFFFAOYSA-N 243.291 2.576 30 20 BFED C=C(C)CCCN1C[C@@H](C(=O)O)CC1(C)C 1776138546 CDCBUQIXBBVFMS-NSHDSACASA-N 225.332 2.528 30 20 BFED C=CCNC(=S)NC1CCCCCCC1 13818590 JMMLODLRSCYGCH-UHFFFAOYSA-N 226.389 2.749 30 20 BFED C#Cc1cccc(NC(=O)/C=C/C=C\C)c1 33560778 YOHGOTWMKYWGNM-UTMABKKZSA-N 211.264 2.739 30 20 BFED CCCN(c1ncccc1C#N)C(C)C 37096308 SEXHNZPYYSTKFW-UHFFFAOYSA-N 203.289 2.578 30 20 BFED C[C@H]1CCCN1Cc1ccccc1C#N 37910726 IFDXJKUGNAIVLG-NSHDSACASA-N 200.285 2.543 30 20 BFED CC[C@H](C)C(=O)Nc1ccc(F)c(C#N)c1 51637697 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C=CCCN(C)C(=O)c1ccc(C)c(C)c1O 276279006 RFNGQCODCFYTQA-UHFFFAOYSA-N 233.311 2.657 30 20 BFED C#C[C@@H](/N=C/c1cc(OCC)ccc1O)C(C)C 281138298 ZKSZIKMBNDQTQC-DWKHYPNZSA-N 245.322 2.868 30 20 BFED COc1ccccc1/C=N/OCCCCF 285231909 QUWQJNCXXXIXCL-GXDHUFHOSA-N 225.263 2.795 30 20 BFED C=CCCCCCC/N=C(\N)Nc1ccccn1 286907518 PKMPEGRTJSRMHF-UHFFFAOYSA-N 246.358 2.945 30 20 BFED C=CCCCCCN(C)C(=O)N(C)CC 287653333 CJPANCPOAHBSBY-UHFFFAOYSA-N 212.337 2.736 30 20 BFED C=CCN(CCC#N)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 295280418 ILGXXYQRPVGBGI-MGPQQGTHSA-N 248.370 2.987 30 20 BFED N#Cc1ccc(Oc2ccc(F)c(Cl)c2)nn1 301867525 BWTKMFOBLSPWJS-UHFFFAOYSA-N 249.632 2.933 30 20 BFED N#Cc1ccc(Oc2ccc3ncccc3c2)nn1 301959233 GUORHCDYKYSGKE-UHFFFAOYSA-N 248.245 2.689 30 20 BFED C=CCN(CCC1CCCC1)CC(=O)OCC 303142723 MGTIWOHWMXMJOD-UHFFFAOYSA-N 239.359 2.618 30 20 BFED C[C@@H](C#N)OCCNc1ccc(Cl)c(F)c1 304197046 BMHHNRMNCNCGRD-QMMMGPOBSA-N 242.681 2.820 30 20 BFED CC[C@H](CC(C)C)C(=O)N[C@](C)(C#N)CC 308093682 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30 20 BFED CN(C(=O)N[C@H]1CCC[C@H]1C#N)C1CCCCC1 336033037 ILASWFOQSMLZSL-AAEUAGOBSA-N 249.358 2.653 30 20 BFED C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1CC#N 336494584 AGLQPZZGNFOEPQ-NXEZZACHSA-N 218.275 2.657 30 20 BFED CN(C(=O)[C@@H]1C[C@H]1C1CC1)c1ccccc1C#N 336560113 BPLIZDWWWLLWAV-QWHCGFSZSA-N 240.306 2.567 30 20 BFED Cc1ccc2c(c1)[C@H](NCCC#N)[C@@H](C)C2 336779084 NDFVCTDMCYMCON-SMDDNHRTSA-N 214.312 2.732 30 20 BFED C=C(C)[C@@H](CC(=O)N(C)CC(C)(C)C)OCC 339194584 FNZZEGOONUUZSY-GFCCVEGCSA-N 241.375 2.862 30 20 BFED Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)C#N)cc1 340434905 NNENTBXPBPOOFJ-MNOVXSKESA-N 248.351 2.504 30 20 BFED C=C[C@H](C)NC(=O)N[C@H]1CCCCC1(C)C 341651655 NEISBHFLLMGSJB-QWRGUYRKSA-N 224.348 2.829 30 20 BFED C=CCCN(C)C(=O)C[C@H]1CC[C@@H](C)C1 342506439 JIXHMLURGBTOBM-NEPJUHHUSA-N 209.333 2.847 30 20 BFED C=CCOCCCN(C)[C@@H](C)CCSC 348046307 IZYXNDNXZNZKAT-LBPRGKRZSA-N 231.405 2.653 30 20 BFED CC[C@@H](NCC(C)(C)CCC#N)c1nccn1C 348241760 HASJYPCSYONWBR-GFCCVEGCSA-N 248.374 2.791 30 20 BFED 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2.678 30 20 BFED C=C(CN[C@@H](C)[C@@H]1CCCCN1)c1ccccc1 423025372 LOBFAWNJHQOALU-HOCLYGCPSA-N 244.382 2.820 30 20 BFED C=CCC[C@@H](NC[C@@H](N)CC)c1ccco1 423476963 SYKQXXKBOFRFGT-NWDGAFQWSA-N 222.332 2.614 30 20 BFED C=C(C)C(C)(C)C(=O)N(C)CC(C)(C)C#N 424844617 KOMLMRKXYULAOE-UHFFFAOYSA-N 222.332 2.597 30 20 BFED CCC(CC)[C@@H](C)C(=O)NCC1(CC#N)CC1 431182152 UGIZMCJKTYQVFC-LLVKDONJSA-N 236.359 2.869 30 20 BFED C=C(CN[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 442773683 XVAZPECAWGJMJN-UKRRQHHQSA-N 226.323 2.982 30 20 BFED N#CCCN(CCC#N)CC1=CCCCC1 450623777 NQJJZQIQDNJUDO-UHFFFAOYSA-N 217.316 2.616 30 20 BFED CN(CCc1ccccc1O)CC1(C#N)CCC1 450721742 YMVVCLHJTSNRBU-UHFFFAOYSA-N 244.338 2.560 30 20 BFED N#CCCCCN1CCC[C@@]2(CCSC2)C1 451958492 HQEBRQAQIINWTH-CYBMUJFWSA-N 238.400 2.899 30 20 BFED CC#CCN(C)C(=O)[C@H](CC)CC(C)C 452163937 CMLMQRZOPIWGAC-GFCCVEGCSA-N 209.333 2.540 30 20 BFED C=C(C)CCNC(=O)CCOCc1ccccc1 452721211 GXOMIWCAPVVMJQ-UHFFFAOYSA-N 247.338 2.676 30 20 BFED CC(C)(CNC(=O)CCCC#N)C1CCC1 452781686 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OPUQOHMUIMHWFF-UHFFFAOYSA-N 216.309 2.748 30 20 BFED C[C@H]1C[C@H](C)N(CCc2ccc(C#N)cc2)C1 595326242 ATDLAJMZNWKNFL-STQMWFEESA-N 228.339 2.831 30 20 BFED C[C@H](CC1CCCCC1)N=c1cc(C#N)cn[nH]1 596213783 FUGWDBWQKGAORA-LLVKDONJSA-N 244.342 2.541 30 20 BFED C[C@H](C#N)CN(C)Cc1cc2ccncc2s1 596993027 XGTKPHDEKGULPZ-SNVBAGLBSA-N 245.351 2.888 30 20 BFED CCC1(CC)CCCN(C(=O)[C@@H](C)C#N)C1 598216616 WCRFNTCCAQHNBA-NSHDSACASA-N 222.332 2.575 30 20 BFED Cc1cc(C)c(C(=O)N(C)[C@@H](C)CC#N)s1 601036906 HYGOMPBGLJEHQQ-VIFPVBQESA-N 236.340 2.739 30 20 BFED N#Cc1cccc(CN2CCC[C@@H]2C2CCC2)n1 602463155 KOERFRSYJDRXAH-OAHLLOKOSA-N 241.338 2.718 30 20 BFED CC[C@@H](NCc1cccc(C#N)n1)[C@@H]1CC1(C)C 602698110 XVBUHIUZMHKZTC-UONOGXRCSA-N 243.354 2.868 30 20 BFED N#CCC1(CNC2(c3ccccc3)CC2)CC1 602804468 GYNUNFFEKVCMHT-UHFFFAOYSA-N 226.323 2.959 30 20 BFED C[C@H](CCO)S[C@@H](C#N)Cc1ccccc1 610286720 PGLXDQXUEILZJI-DGCLKSJQSA-N 235.352 2.625 30 20 BFED C[C@@H](NC(=O)N1CCC(CC#N)CC1)C1CCC1 611620042 ALOSAGMNFGJNAW-LLVKDONJSA-N 249.358 2.510 30 20 BFED CC1=C(C(=O)N2CCC[C@@](C)(C#N)C2)CCC1 612369034 PJMOLDJUBGLAHA-AWEZNQCLSA-N 232.327 2.639 30 20 BFED CCN(C[C@@H]1CCOC1)c1ccc(C#N)cc1F 615494939 SLGWWUYWRWENGG-LBPRGKRZSA-N 248.301 2.560 30 20 BFED C=CCC1(NC(=O)c2ccnn2CC)CCCC1 619110670 HUYSFFQUFKHALX-UHFFFAOYSA-N 247.342 2.522 30 20 BFED C=CCCC(C)(C)NC(=O)[C@H](OC)[C@H](C)CC 620857411 ZUEUKYXEVSAIMT-VXGBXAGGSA-N 241.375 2.909 30 20 BFED C=C(C)C(C)(C)C(=O)N1CCC[C@H]2C[C@H]21 644718483 GXPASIFFAKGCOT-WDEREUQCSA-N 207.317 2.600 30 20 BFED C=CCCC(C)(C)NC(=O)NC[C@@H]1C[C@@H]1C 663717289 RQHYWDBUKDKHTD-QWRGUYRKSA-N 224.348 2.686 30 20 BFED N#Cc1cc2ccccc2nc1N1CC[C@H](F)C1 689818986 UATFFRHPYJHTHN-LBPRGKRZSA-N 241.269 2.655 30 20 BFED Cc1cc(C#N)ccc1NCC[C@H](C)N(C)C 700495879 XMIQKMIGVGSYHD-LBPRGKRZSA-N 231.343 2.619 30 20 BFED C=CCCCNCc1cc(F)cc(F)c1O 708390445 PSJJXRJEJZSQHL-UHFFFAOYSA-N 227.254 2.726 30 20 BFED C[C@@H](C#N)OC(=O)C[C@@H](C)c1ccc(F)cc1 733523343 UFOUSHAPXCTXHO-ZJUUUORDSA-N 235.258 2.775 30 20 BFED C=CCCO[C@H](C)C(=O)NC[C@H](C)C(C)(C)C 734333088 GFKSAEHZHJUVKZ-NWDGAFQWSA-N 241.375 2.766 30 20 BFED COCC(=NOC)c1cccc(C(F)(F)F)c1 735612823 PNMWFZPVZAIHNI-UHFFFAOYSA-N 247.216 2.702 30 20 BFED C=C(Cl)CNC(=O)Cc1cc2ccccc2o1 736245466 VFDUDQDFACTVBA-UHFFFAOYSA-N 249.697 2.844 30 20 BFED C#CCCCNc1ncnc2cccc(F)c12 742422905 RHLBIDLSHCIRMY-UHFFFAOYSA-N 229.258 2.594 30 20 BFED CC[C@@H](C)C[C@H](C)NC(=O)C#Cc1ccccc1 747406015 XHTVHPHSVBVMGM-KGLIPLIRSA-N 243.350 2.979 30 20 BFED CCC1(C/N=C/c2cccc(O)c2O)CC1 751889766 CPMXJIZZJQVQLD-RIYZIHGNSA-N 219.284 2.707 30 20 BFED C=CCN(C(=O)Nc1cc(C)ccn1)C(C)C 752818769 RPQAYKXPDBNHLS-UHFFFAOYSA-N 233.315 2.818 30 20 BFED C=C(Cl)COC(=O)C(C1CC1)C1CC1 753528027 YXVSICOPGBDOLX-UHFFFAOYSA-N 214.692 2.718 30 20 BFED Cc1cc(C=NNc2ccnc(F)c2)c(C)n1C 754973684 NJVOVJOEZLAAKC-UHFFFAOYSA-N 246.289 2.622 30 20 BFED CCCC=NNCCCOc1ccccc1 755696089 JJKVTKGGTKLVAY-UHFFFAOYSA-N 220.316 2.831 30 20 BFED C#CC[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccccc1 757598699 KDGXCKBKIHOKOV-YUTCNCBUSA-N 227.307 2.523 30 20 BFED Cc1cc(C)cc(C=NOCC(F)F)c1 758899817 NZTLJEZVJKNPAB-UHFFFAOYSA-N 213.227 2.919 30 20 BFED CC(=NNc1ncc(F)cn1)c1ccccc1F 760254274 NTPSNJCFJLDIRU-UHFFFAOYSA-N 248.236 2.591 30 20 BFED C#CCCc1noc(Cc2ccc(F)c(F)c2)n1 761999566 QDJVJWNCJZXZKD-UHFFFAOYSA-N 248.232 2.504 30 20 BFED CC#CCCON=Cc1ccccc1OCC 764936279 YKDVXMXOUMBBHR-UHFFFAOYSA-N 231.295 2.849 30 20 BFED CC#CCCOC(=O)C[C@H](C)c1ccc(N)cc1 765509292 SCFGYYOEERJSQS-LBPRGKRZSA-N 245.322 2.719 30 20 BFED N#C[C@H]1CCC[C@H](NCCNc2ccccc2)C1 765937826 SHMKMYNQHZQDDC-ZFWWWQNUSA-N 243.354 2.770 30 20 BFED CC#CCCCC(=O)OCC(=O)c1ccccc1 767675120 IJRCYSYLDXYZQY-UHFFFAOYSA-N 244.290 2.606 30 20 BFED FC(F)(F)CNN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 769808346 MRPBXWISDZGPSI-KYXWUPHJSA-N 246.276 2.950 30 20 BFED C=C(CC)COC(=O)[C@@H]1Cc2ccccc21 773522351 KODMUZOIHBHFAO-CYBMUJFWSA-N 216.280 2.836 30 20 BFED C#C[C@H](N[C@@H](C)C1CCCCC1)[C@@H]1CCCO1 775571437 HEBOVXABMMGFGV-QEJZJMRPSA-N 235.371 2.726 30 20 BFED C#C[C@H](N[C@@H]1CCC[C@H](C)[C@@H]1C)[C@@H]1CCCO1 775573052 FTXGDECDLLMKNT-LXFSFDBISA-N 235.371 2.582 30 20 BFED C=CCN(C(=O)[C@@H]1CC[C@@H](C)C1)C(C)C 776302598 RDKOJMKQHRBQCW-VXGBXAGGSA-N 209.333 2.846 30 20 BFED Cn1c(C(=O)OC(C)(C)C#N)cc2ccccc21 779228090 ISDLFLSXHNKIKG-UHFFFAOYSA-N 242.278 2.637 30 20 BFED CC(C)(C)CCNN=Cc1ccc(C(=O)O)cc1 782902769 JRUVFVPJJXTIBD-UHFFFAOYSA-N 248.326 2.745 30 20 BFED COc1ccnc(NN=C2CC[C@@H](C)C[C@H]2C)n1 783828725 RHAICAJPHJLQKV-NXEZZACHSA-N 248.330 2.709 30 20 BFED CCC(=O)OCc1ccc(C#N)cc1Cl 784188427 RHBHNVWPBDQHDR-UHFFFAOYSA-N 223.659 2.665 30 20 BFED COC1(C=NOC2CCCC2)CCCC1 790169749 AFDZVOHWFFYDFG-UHFFFAOYSA-N 211.305 2.891 30 20 BFED C#CCN(C)c1ccc(C(F)(F)F)c(Cl)n1 790775626 MFGQHWMLXMWEKP-UHFFFAOYSA-N 248.635 2.823 30 20 BFED C[C@@H](NN=Cc1c[nH]c2ncccc12)C(C)(C)C 793112482 SUSJHAGOFHJYSL-SNVBAGLBSA-N 244.342 2.921 30 20 BFED CC[C@H](C)CON=C1CCN(CC)C[C@H]1C 793145299 IHVCHWCMOSZLKO-NWDGAFQWSA-N 226.364 2.767 30 20 BFED Cc1oc(C(C)C)nc1C(=O)OC(C)(C)C#N 797142854 YQZLJYYWKCGQHQ-UHFFFAOYSA-N 236.271 2.565 30 20 BFED C=CCOCCOC(=O)[C@H]1CCC[C@H](C)C1 797324343 CDGSTFIXBNFOJN-RYUDHWBXSA-N 226.316 2.559 30 20 BFED N#CCOc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 799734364 BTWGYZGQLRGFEZ-DGCLKSJQSA-N 241.294 2.693 30 20 BFED C=CCCCCCOC(=O)COC(F)F 803731526 FUXAHWIXDPPHHL-UHFFFAOYSA-N 222.231 2.515 30 20 BFED C#Cc1cncc(C(=O)N(CCC)CC(C)C)c1 806432635 OGCYTSNBXGKKJJ-UHFFFAOYSA-N 244.338 2.571 30 20 BFED Clc1ccccc1C=NN[C@H]1CCSC1 808004020 BWMBMUSITNOKGI-JTQLQIEISA-N 240.759 2.769 30 20 BFED C[C@@H](OC(=O)c1ocnc1C1CC1)C(C)(C)C#N 808994669 TXNYJDLTHFGTIJ-MRVPVSSYSA-N 248.282 2.647 30 20 BFED C=CCCCCOC(=O)c1c[nH]cc1C 811012621 QYCRZTPEBROUQQ-UHFFFAOYSA-N 207.273 2.836 30 20 BFED Cc1ccc([C@H](C)NC(=O)CCCC#N)s1 812479485 DLFZMZCFKDAVKP-JTQLQIEISA-N 236.340 2.928 30 20 BFED C=CCCCCOC(=O)[C@H](C)[C@H](C)COC 813100583 HHRKVEPILNWPQD-VXGBXAGGSA-N 228.332 2.805 30 20 BFED CCCCCCC(=O)N[C@]1(C#N)CC1(C)C 813304170 XXNPRVCGQYXEIX-ZDUSSCGKSA-N 222.332 2.765 30 20 BFED CCc1ccccc1NN=Cc1snnc1C 814218447 OKKFTSOWDJGGOM-UHFFFAOYSA-N 246.339 2.855 30 20 BFED CCc1ccccc1NN=C(C)c1csnn1 814801986 QRTKFPGOLZFIPX-UHFFFAOYSA-N 246.339 2.937 30 20 BFED CCCC(=NN=c1cc[nH]cc1)c1cccnc1 814900112 DUZPUAHWZSXZKS-UHFFFAOYSA-N 240.310 2.515 30 20 BFED Fc1cccc(NN=C2CC3(CC3)C2)n1 814928999 ILHHBAVQLLCUGK-UHFFFAOYSA-N 205.236 2.563 30 20 BFED C=CCCCCC[C@H](C)NC[C@@H]1CCCN1 817954471 YBRFFBMRMMDXAB-KBPBESRZSA-N 224.392 2.853 30 20 BFED CCCCC[C@@H](C)NC(=O)C#CC(C)C 820924781 NDQADNUEEOCZHF-GFCCVEGCSA-N 209.333 2.731 30 20 BFED CC(C)C#CC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 821293849 MMJMFJZYQVZMHK-CHWSQXEVSA-N 221.344 2.683 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCCC 822394260 LQHDQDSJYZOXIF-XQQFMLRXSA-N 239.359 2.663 30 20 BFED C#Cc1cnc(N2CCC[C@@H]2c2ccccc2)nc1 827342584 LZGJXXFGJGPKKZ-OAHLLOKOSA-N 249.317 2.799 30 20 BFED C=C[C@H](CC)CC(=O)Nc1cncc(N(C)C)c1 827880800 PJYXVFWMKPDJSG-LLVKDONJSA-N 247.342 2.688 30 20 BFED C=CCCc1noc(CCCCN2CCCC2)n1 834815022 RVXYQPYGSKZVNS-UHFFFAOYSA-N 249.358 2.607 30 20 BFED Cc1sccc1C=NN[C@H](C)C(F)(F)F 834998314 FKMUIDQJNFBALG-SSDOTTSWSA-N 236.262 2.931 30 20 BFED C[C@@H]1CCC(=NN[C@@H]2CCOC2(C)C)C[C@H]1C 835016246 JEVIARQXPGVLCA-NQBHXWOUSA-N 238.375 2.956 30 20 BFED C=CCON=C(C)c1ccc(OC)c(F)c1 835016705 YEBHTMRHNXSKMV-UHFFFAOYSA-N 223.247 2.761 30 20 BFED C[C@@H]1CC=C(C(=O)OC(C)(C)C#N)CC1 835222596 FFYIISKEGZBAJS-SECBINFHSA-N 207.273 2.578 30 20 BFED C=C[C@@H](CC)OC(=O)[C@@H]1Cc2cccc(C)c2O1 835273788 IJCBZHQNTIWTNT-STQMWFEESA-N 246.306 2.806 30 20 BFED C=CCONC(=O)NC[C@H]1CCCC[C@@H]1CC 838712901 FQZSXZJTAUSPTD-NWDGAFQWSA-N 240.347 2.620 30 20 BFED CCC(=NNc1ccc(C)nn1)[C@@H]1C[C@H]1C 841623441 JWRPHRFDHBMAJH-PSASIEDQSA-N 218.304 2.619 30 20 BFED C[C@H](O)CN(C)N=C[C@H](C)C1CCCCC1 841651111 OZDBTXURCMYLDW-RYUDHWBXSA-N 226.364 2.501 30 20 BFED C#C[C@@H](OC(=O)[C@H]1C[C@H]1C)c1ccccc1 842392880 ICXJFOSGMCEIIS-KGYLQXTDSA-N 214.264 2.560 30 20 BFED CSCCON=C1CCC(F)(F)CC1 842531799 MHLCAZVSPWBTLD-UHFFFAOYSA-N 223.288 2.931 30 20 BFED C=C(C)CON=C1CCc2cccnc2CC1 844620251 IVIPNJUHXODIPZ-UHFFFAOYSA-N 230.311 2.909 30 20 BFED C=C(C)CONC(=O)N(C1CC1)[C@H](C)C(C)C 845600950 MTSJELPMTXWYAN-LLVKDONJSA-N 240.347 2.713 30 20 BFED C=C[C@@H](C)ONC(=O)Cc1c(C)cc(C)cc1C 846548875 LUXBCUKXYQSNLF-CYBMUJFWSA-N 247.338 2.777 30 20 BFED C=CCCCC(=O)OCc1cc(C2CC2)n[nH]1 848013476 NMMRBQDRTIVPNT-UHFFFAOYSA-N 234.299 2.687 30 20 BFED C[C@H]1C[C@@H]1C(=O)O[C@H](C)CC(C)(C)C#N 851205748 JOTCMTUCRJQTBV-AEJSXWLSSA-N 209.289 2.514 30 20 BFED C#CCOCCN(CC)[C@@H](C)c1ccc(F)cc1 851735473 FXXDJFMCETUDGP-ZDUSSCGKSA-N 249.329 2.858 30 20 BFED COCCC(C)=NNc1ccc(C)c(F)c1 853438213 SQNHQCOMRPYJNE-UHFFFAOYSA-N 224.279 2.958 30 20 BFED COCc1cccc(CON=CC2CC2)c1 853734396 CQFNEERAYPXUNW-UHFFFAOYSA-N 219.284 2.745 30 20 BFED C=CCCNC(=O)Nc1ccc(N(C)C)c(C)c1 854295331 ALFMNPBEDNBSOI-UHFFFAOYSA-N 247.342 2.759 30 20 BFED C[C@H]1CCC(C)(C)N1C(=O)C#Cc1cccs1 854897920 LBROGGHPMOXHGW-NSHDSACASA-N 247.363 2.889 30 20 BFED C=C[C@@H](OC(=O)[C@@H](CC)OC)c1ccccc1 857658588 KIVXIYAXORTFAC-CHWSQXEVSA-N 234.295 2.882 30 20 BFED CC[C@@H](CC#N)NC(=O)OCc1ccccc1C 859110100 YARQXTUAGXUTEY-ZDUSSCGKSA-N 246.310 2.914 30 20 BFED CC(=NN(C)C[C@H](C)O)c1cccc(C(C)C)c1 863119282 BLVLLWARWKKXBC-LBPRGKRZSA-N 248.370 2.847 30 20 BFED CCC(Cc1ccc(C)cc1)=NNCC(C)(C)O 863139880 UOUNKRUHNLNWMZ-UHFFFAOYSA-N 248.370 2.664 30 20 BFED C#CCN(C)c1ccc([N+](=O)[O-])cc1C(F)F 865721313 UIWZHNGPYMOXEU-UHFFFAOYSA-N 240.209 2.602 30 20 BFED C#CCOc1ccccc1OC[C@@H]1CCO[C@H]1C 871730972 BPFGQYXWVHTMFI-STQMWFEESA-N 246.306 2.502 30 20 BFED C=C[C@H](C)ON=C(C)c1cccc(O)c1F 872386788 CCDMLQFTURVCRR-QMMMGPOBSA-N 223.247 2.846 30 20 BFED C#CCCCOC(=O)C1CCC=CCC1 873429424 WNDNKVMRSNDXPW-UHFFFAOYSA-N 206.285 2.689 30 20 BFED CSC(C)(C)CNC[C@H](C)CCC#N 877065187 IPRICWVPUBLOCB-SNVBAGLBSA-N 214.378 2.657 30 20 BFED COc1cncc(N[C@@H]2CCC[C@H](C#N)C2)c1 877663654 DUXINOOIAPEFJJ-WDEREUQCSA-N 231.299 2.584 30 20 BFED C=CC(C)(C)CC(=O)Nc1nccs1 877926893 JRDSQXJRIPGWTQ-UHFFFAOYSA-N 210.302 2.684 30 20 BFED CCN(CCCCC#N)[C@H](CO)c1ccccc1 880460423 VENPEFFUPYEWSX-OAHLLOKOSA-N 246.354 2.736 30 20 BFED Clc1ccc(C=NNC2CCCCC2)nc1 884453175 HYXWZPHIZNOZBO-UHFFFAOYSA-N 237.734 2.991 30 20 BFED C=CCCN[C@](C)(C(=O)OCC)c1ccccc1 887127174 JQZLARVNRDONSY-HNNXBMFYSA-N 247.338 2.631 30 20 BFED Cc1cc(C#N)nc(NCCC(F)(F)F)c1 892734342 XBNWQGRMUAFEPX-UHFFFAOYSA-N 229.205 2.626 30 20 BFED C=CCC1(C(=O)OCC#CCC)CCC1 893840823 YNSBRNSZGWDRDS-UHFFFAOYSA-N 206.285 2.689 30 20 BFED N#Cc1cc(NCC2CC=CC2)c([N+](=O)[O-])s1 894716071 URJOPUPBUOLJFU-UHFFFAOYSA-N 249.295 2.906 30 20 BFED Cc1ccc(C(=O)/C=C\C(=O)N(C)C(C)C)cc1 900117425 GLKKQYCYIKNTGR-KTKRTIGZSA-N 245.322 2.601 30 20 BFED C=C1CCN(C(=O)/C(F)=C(\C)C2CC2)CC1 900585275 LLQZTEYRUJYIGG-BENRWUELSA-N 223.291 2.819 30 20 BFED C=CCCC[C@H](N)c1nc(CCC=C)no1 904734159 LMXIFMPEVBWQAC-JTQLQIEISA-N 221.304 2.544 30 20 BFED Cc1cc(OC(=O)[C@@]23CCC[C@@H]2C3)ccc1C#N 904903484 VBNFBFLWMINEEH-IUODEOHRSA-N 241.290 2.962 30 20 BFED C=CCCC(=O)[C@H]1CCCN1C(=O)[C@@H](C)C1CC1 908652981 VAYOEECCBQJDKP-WCQYABFASA-N 249.354 2.559 30 20 BFED C=CCC(CC=C)C(=O)Nc1cc(C)cc(O)n1 910600226 HLWPQQPJTSCXEB-UHFFFAOYSA-N 246.310 2.803 30 20 BFED C=CC[C@@H]1CCCN(C(=O)/C=C(/C)Cl)C1 912389145 PVVPYDOLJRZFQM-HIJJYWJESA-N 227.735 2.944 30 20 BFED N#CCCCCOC(=O)c1ccc(F)cc1F 912956701 SCLGAUDRJRGOIO-UHFFFAOYSA-N 239.221 2.815 30 20 BFED Cc1cc(NN=Cc2cccc(F)c2)nc(C)n1 915971002 XRUOTLVDHLCZIT-UHFFFAOYSA-N 244.273 2.679 30 20 BFED C=CCN(Cc1nc(C(C)(C)C)no1)C(C)C 917070818 GQJWYDVPPNLOAJ-UHFFFAOYSA-N 237.347 2.764 30 20 BFED C=CCCN(C)Cc1coc(C(C)(C)C)n1 930253366 QPMFYVBCTLPRCV-UHFFFAOYSA-N 222.332 2.980 30 20 BFED C=CCC[C@H](C)NCCCNC(=O)CCCC 1154679299 ONUMLYIBCXBMSF-ZDUSSCGKSA-N 240.391 2.627 30 20 BFED CC[C@@H](F)C(=O)Nc1ccc(C#N)cc1Cl 1262782492 KJENQCHPRLJTQY-SECBINFHSA-N 240.665 2.898 30 20 BFED C=C(C)CCC(=O)Oc1ccc2c(c1)CCO2 1263532986 ZYEGTKFUKXIEEG-UHFFFAOYSA-N 232.279 2.883 30 20 BFED CC[C@@H](C)CN(C)C(=O)CC#Cc1ccccc1 1319213165 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Cc1c(C#N)cccc1NC(=O)CC1(C)CC1 336052093 KJLDFMGARIUPAC-UHFFFAOYSA-N 228.295 2.995 30 20 BFED CC[C@H]1CCC[C@@H]1C(=O)N1CCC(C#N)CC1 336240413 LZXNLBFUUDJVQR-STQMWFEESA-N 234.343 2.575 30 20 BFED C=C[C@@H]1CCCCN1C(=O)c1ccnc(C)c1 336253514 WWVKZPARMICJNU-CYBMUJFWSA-N 230.311 2.571 30 20 BFED C[C@H]1C[C@@H]1CC(=O)Nc1ccccc1C#N 336346389 XBDBVVOYNSBVFL-GXSJLCMTSA-N 214.268 2.543 30 20 BFED C[C@@H]1C[C@H]1CC(=O)Nc1sccc1C#N 336498393 PGMJDILZUIQQOA-APPZFPTMSA-N 220.297 2.604 30 20 BFED CC(C)CCC(=O)N1CCCC(C)(C)[C@H]1C#N 336577934 MQZBDEWCNSBVAZ-GFCCVEGCSA-N 236.359 2.963 30 20 BFED C=C(CC)CNCC1(CC)CCOCC1 336656933 AOAUTOMFHJJRFV-UHFFFAOYSA-N 211.349 2.749 30 20 BFED C[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(F)(F)F 336757691 KDQMBTZCVMNTTI-XHNCKOQMSA-N 220.238 2.609 30 20 BFED C=CCC[C@H](CCC)N[C@H](C)C[C@@H](C)O 336757785 JIQXTOMPXGVKEG-UPJWGTAASA-N 213.365 2.870 30 20 BFED N#Cc1cc2c(nc1N[C@H]1CCC[C@@H]1F)CCC2 338841405 GSUFFLOOICRGEB-AAEUAGOBSA-N 245.301 2.744 30 20 BFED N#CCCCNC(=O)CCSc1ccccc1 342648626 KLOVITSGKUMLGK-UHFFFAOYSA-N 248.351 2.589 30 20 BFED Cc1cc(NC[C@@H](C)C(F)(F)F)cc(C#N)n1 343058517 XYAVZCNHRYTFDE-SSDOTTSWSA-N 243.232 2.872 30 20 BFED CCS[C@@H]1CCCCN(CC2(C#N)CC2)C1 343315783 RDCYJIRPSKERFM-GFCCVEGCSA-N 238.400 2.898 30 20 BFED CC1(C)[C@@H]2CN(Cc3ccc(CC#N)cc3)C[C@H]21 343553059 OUPRMWSXAIIFOI-HUUCEWRRSA-N 240.350 2.840 30 20 BFED N#CCSCC(=O)Nc1ccc2ccoc2c1 343955972 BFYZZTOVYGFOCS-UHFFFAOYSA-N 246.291 2.628 30 20 BFED COC[C@H]1CCCCN(CCC(C)(C)C#N)C1 347193703 JJWLXQOMMVNSFV-ZDUSSCGKSA-N 238.375 2.675 30 20 BFED C=CC[C@@H](C)N[C@@H](C)c1cc(OC)ncc1F 348439927 YOFGUYVPRIQWEB-ZJUUUORDSA-N 238.306 2.845 30 20 BFED CC(C)c1ccsc1C(=O)N(C)CCC#N 349680523 ZMMSFIDKHLXTDS-UHFFFAOYSA-N 236.340 2.857 30 20 BFED C=CC(C)(C)c1nc(Cc2cccnc2C)no1 351229705 HXJCYQYAMIPOLA-UHFFFAOYSA-N 243.310 2.827 30 20 BFED CC#CCCNC(=O)c1cc(C(C)C)oc1C 354730165 ZNYYRVAUWPSMLP-UHFFFAOYSA-N 233.311 2.855 30 20 BFED CCN(CC)Cc1ccc(C#N)c(C)c1 362961111 UHXSDWLKYGAHOZ-UHFFFAOYSA-N 202.301 2.709 30 20 BFED C=C(Cl)CN1CCC[C@H](C[C@H]2CCOC2)C1 373137342 FIQMYHNHPRIWCR-CHWSQXEVSA-N 243.778 2.878 30 20 BFED Cc1ccc(C=NOCC(F)F)s1 379352950 DKGJKQYMNJHTCF-UHFFFAOYSA-N 205.229 2.672 30 20 BFED CC1CC(C#N)(C(=O)NCC2=CCCCC2)C1 380021135 DKSSTRXMVAHNDE-UHFFFAOYSA-N 232.327 2.543 30 20 BFED C=CC(C)(C)CNC(=O)c1cccc(C#N)c1 384868232 QGJWWSYANIDGCF-UHFFFAOYSA-N 228.295 2.500 30 20 BFED C=CCCNC(=O)c1csc(C)c1C 399825291 IUYWMBDYWSSVCN-UHFFFAOYSA-N 209.314 2.671 30 20 BFED C=C[C@H](CC(=O)N1CC(CF)C1)c1ccccc1 412514021 BZJYITWIDMBQFO-CYBMUJFWSA-N 247.313 2.774 30 20 BFED C=CCOCCSC[C@@H](CC(C)C)OC 419513522 GCCBGLIZSYELJO-GFCCVEGCSA-N 232.389 2.983 30 20 BFED C=CCC[C@H](CCC)NC[C@H]1CCCNC1 423205266 FCCHYIOHRFYDMC-KBPBESRZSA-N 224.392 2.711 30 20 BFED COc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1C 424209775 ZQEMQNSGTDJMJU-GXTWGEPZSA-N 244.338 2.786 30 20 BFED C=C(C)C(C)(C)C(=O)N(C)Cc1nccs1 424703968 IRWNNUBGZMCIRU-UHFFFAOYSA-N 238.356 2.704 30 20 BFED C=C[C@@H](C)NC(=O)c1cc(NC)ccc1Cl 425187214 VYTKONUIHACKIM-MRVPVSSYSA-N 238.718 2.686 30 20 BFED C=CCCC[C@H](C)NC(=O)c1cc(C#N)oc1C 436053052 STNNUWIRQYCXRV-JTQLQIEISA-N 246.310 2.934 30 20 BFED Cc1c(N[C@H]2CC[C@@H](C#N)C2)cnn1CC(C)C 442814449 AZIHETBNJBMTQN-OLZOCXBDSA-N 246.358 2.952 30 20 BFED C=CCN(C)Cc1ccnn1C1CCCC1 449257203 IDYOFEURHYPSKS-UHFFFAOYSA-N 219.332 2.616 30 20 BFED C[C@@H]1CN(CC2(C#N)CCC2)c2ccccc2O1 450405507 OSYQBHUJKCUJRU-GFCCVEGCSA-N 242.322 2.968 30 20 BFED C=CCC[C@@H](N[C@H](C)CC(C)(C)O)C1CC1 453329109 UJILDVQMAQYYIL-DGCLKSJQSA-N 225.376 2.870 30 20 BFED C=C(C)CCNC(=O)Nc1ccc(F)cc1 454144638 UTGPOQDKUTUJKN-UHFFFAOYSA-N 222.263 2.913 30 20 BFED C=C(CC)CNC(=O)c1ccc(O)c(CC)c1 456812594 NMWNIHKQQCZLBS-UHFFFAOYSA-N 233.311 2.651 30 20 BFED C=CC[C@H](CC)NC(=O)N(C)[C@@H](C)CC 466367333 SMPIXLXEIARHNA-QWRGUYRKSA-N 212.337 2.781 30 20 BFED C=CCCCCNC(=O)[C@H]1CCCCS1 471681351 ZUIQDBQVNDQHEE-LLVKDONJSA-N 227.373 2.745 30 20 BFED CC#CCCNC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 483420015 QRPHAAXANVBDKN-MGPQQGTHSA-N 248.370 2.762 30 20 BFED C=CCn1cccc1C(=O)N(C)[C@H](C)CCC 488484123 JPLGSOKCRGASEM-GFCCVEGCSA-N 234.343 2.935 30 20 BFED CSc1cccc(NC(=O)NCCC#N)c1C 488573796 PIMHXHVSIKOSCO-UHFFFAOYSA-N 249.339 2.752 30 20 BFED C=CCCCS(=O)(=O)N(CC)C1CCCC1 489112942 FPGVLOXPGWOZSE-UHFFFAOYSA-N 245.388 2.547 30 20 BFED C=CCOCC(=O)N1CCC[C@H]1[C@H](C)CCC 489282993 VBYVZQBTSWTPTQ-OLZOCXBDSA-N 239.359 2.616 30 20 BFED C#C[C@H](CC)NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 491387774 YQLFPSNVAGDIAT-FMKPAKJESA-N 241.334 2.708 30 20 BFED C=C(C)CN(CC)Cc1cnc2n[nH]c(C)c2c1 505865181 XKAGJVLSGDNFHD-UHFFFAOYSA-N 244.342 2.664 30 20 BFED C=CC[C@H](CC)NC(=O)NC1(CF)CCC1 571554908 NEPFDQCFXZCSFW-JTQLQIEISA-N 228.311 2.533 30 20 BFED C[C@H]1CCC[C@H]([C@H](C)Nc2cc(C#N)ncn2)C1 573059891 PDTVZTIPJJBPDD-SRVKXCTJSA-N 244.342 2.975 30 20 BFED CN(CC(C)(C)C#N)c1ccc([N+](=O)[O-])s1 590085223 NIXUSQSOKFGRPO-UHFFFAOYSA-N 239.300 2.642 30 20 BFED C=CCC1(C(=O)NCCSC)CCCCC1 590616306 CYHLWGGHYWJAGD-UHFFFAOYSA-N 241.400 2.992 30 20 BFED CC[C@@H](C#N)N(C)C(=O)C(C)(C)C1CCC1 594085016 RXRFEBQBZABNMN-NSHDSACASA-N 222.332 2.573 30 20 BFED N#Cc1cccc(CNCCCc2ccco2)c1 594996371 BEWXSOPZGGTDPK-UHFFFAOYSA-N 240.306 2.874 30 20 BFED CC[C@H](N[C@H]1CCC[C@@H](C#N)C1)C1CC1 595081531 RRRMLEQWSXFIPT-WXHSDQCUSA-N 206.333 2.847 30 20 BFED CCN(CC#Cc1cccc(Cl)c1)[C@@H](C)C#N 595821683 ZBCIASDECOPBRQ-LBPRGKRZSA-N 246.741 2.925 30 20 BFED Cc1ccc(C#N)c(NCCC(C)(C)F)n1 596469508 ZHLRYJNPLZLTRS-UHFFFAOYSA-N 221.279 2.812 30 20 BFED C[C@]1(C#N)CCCN(Cc2ncccc2Cl)C1 599361506 ILLULYABNSCVGL-CYBMUJFWSA-N 249.745 2.861 30 20 BFED CC[C@H](CC#N)NC(=O)C[C@@H](C)c1ccco1 599760751 ROFQOXBWYAXFQM-GHMZBOCLSA-N 234.299 2.582 30 20 BFED C[C@H]1OCC[C@H]1COc1ccc(C#N)c(F)c1 601077341 RJFFHCOKBJAJOK-KOLCDFICSA-N 235.258 2.501 30 20 BFED CCc1cnc(CNC[C@@H](C)CCC#N)s1 602561067 QUHMWCPQNMGRAV-JTQLQIEISA-N 237.372 2.735 30 20 BFED N#C[C@@H]1CC[C@@H](N2Cc3ccccc3CO2)C1 603010178 LDBXRZKMLPFAEC-BXUZGUMPSA-N 228.295 2.626 30 20 BFED C=CCCNc1ccccc1C(=O)NCCC 607149315 SCQWLJICWCMSRA-UHFFFAOYSA-N 232.327 2.814 30 20 BFED N#Cc1ccc(NC(=O)[C@@H]2CC23CCC3)cc1 610734316 YSCLJNYTOPMEHE-LBPRGKRZSA-N 226.279 2.687 30 20 BFED CO[C@H]1CCC[C@H](NCC(C)(C)CCC#N)C1 610959353 KENQWMSSGQBOKF-STQMWFEESA-N 238.375 2.864 30 20 BFED C=CCN(C(=O)c1oc(C)nc1C)C(C)(C)C 622944544 WRBQLUGPUMKVED-UHFFFAOYSA-N 236.315 2.718 30 20 BFED C=C(C)C(C)(C)C(=O)NCc1ccc(C)o1 634312838 FONLPLMNQXDDDT-UHFFFAOYSA-N 221.300 2.807 30 20 BFED C=CCCN(C)Cc1cccc2c1CCOC2 639608882 KKRGUBZKTMYECZ-UHFFFAOYSA-N 231.339 2.767 30 20 BFED C=CCCCCNC(=O)c1c[nH]cc1C1CC1 640126876 WOVPPSIGTUKEKA-UHFFFAOYSA-N 232.327 2.978 30 20 BFED C=CC[C@@H](C)NC(=O)[C@@]1(C)CCc2ccccc21 648788000 NPBGSXGZSUZSFW-WBMJQRKESA-N 243.350 2.971 30 20 BFED N#Cc1cc(CN2CCC(F)CC2)ccc1F 689491474 SOVWDOGVUZSAQY-UHFFFAOYSA-N 236.265 2.631 30 20 BFED CCCCCCCNCc1cc(C)n(C)n1 703765409 MENQFTCKQAMZJO-UHFFFAOYSA-N 223.364 2.789 30 20 BFED Cc1cocc1C(=O)Nc1ccc(C#N)cc1 705263894 BHMOLVKPABPJBT-UHFFFAOYSA-N 226.235 2.712 30 20 BFED C[C@H](C#N)OCCNc1ccc(Cl)c(C#N)c1 709677194 CFFFRXOPIYUGQP-SECBINFHSA-N 249.701 2.552 30 20 BFED C#CCCCCC(=O)N1CCC[C@@H]1C(C)C 710300827 WNUUSEYPVOKHSQ-CYBMUJFWSA-N 221.344 2.827 30 20 BFED CC(C)(C)N1CCC(=NNC2CCCC2)CC1 727651578 GLBXBJYPSFJXAB-UHFFFAOYSA-N 237.391 2.769 30 20 BFED CCN(C(=O)Nc1sccc1C#N)C1CC1 729918485 RGKPQWBCOOFZIV-UHFFFAOYSA-N 235.312 2.636 30 20 BFED C#CCN(CC)C(=O)/C=C\C1CCCCC1 735432935 MVXDMTQWOFJGTO-KHPPLWFESA-N 219.328 2.605 30 20 BFED Cc1ccc(C=NOCC2CCOCC2)cc1 735488788 ZVUIGTRJQQVTQC-UHFFFAOYSA-N 233.311 2.772 30 20 BFED C#CCCCNC(=O)N[C@@H](C)C[C@@H](C)CC 743692596 MEYXAZREGZUROY-RYUDHWBXSA-N 224.348 2.524 30 20 BFED CC#CCOC(=O)c1ncoc1-c1ccccc1 745007426 ZYYZPUIODHWCIL-UHFFFAOYSA-N 241.246 2.522 30 20 BFED Clc1ccccc1C=NOC[C@@H]1CCOC1 747826449 IVSMLLYEZQIIFJ-SNVBAGLBSA-N 239.702 2.727 30 20 BFED CC(C)CON=Cc1cc(C#N)cs1 749632196 WFKFQFMZZCLBNZ-UHFFFAOYSA-N 208.286 2.626 30 20 BFED C[C@H](C#N)ON=C(c1ccccc1)C(F)(F)F 751957245 XDRRSQGHOFTAHV-MRVPVSSYSA-N 242.200 2.882 30 20 BFED CCCCCC=NN=C(C)c1cnccn1 755755556 YRUOCJOUBUVLRU-UHFFFAOYSA-N 218.304 2.852 30 20 BFED C=CC[C@H](CO)CN[C@@H](C)c1cc(C)ccc1O 756788944 ZHMJCJBXLQLVMZ-STQMWFEESA-N 249.354 2.536 30 20 BFED Cn1cc(NN=C2CC[C@@H]2c2ccccc2)cn1 761869044 KLMDXCDBJQOWLS-CYBMUJFWSA-N 240.310 2.766 30 20 BFED C#CCCc1noc(Cc2cc(C)ccc2C)n1 761999036 KBENEGLLBCFOJE-UHFFFAOYSA-N 240.306 2.843 30 20 BFED Cc1ccc(C=NNCc2ccccc2)cn1 764897277 WTFJXKCFAKUQHJ-UHFFFAOYSA-N 225.295 2.514 30 20 BFED C#CCCCN1C[C@@H](C)Oc2ccc(OC)cc21 766904372 ZANMYOACGRJCDH-GFCCVEGCSA-N 245.322 2.696 30 20 BFED O=c1ccccn1N=CCC[C@H]1C[C@H]2CC[C@H]1C2 768784833 UUPBJSFTTXVGEH-RDBSUJKOSA-N 244.338 2.899 30 20 BFED CC(=NNc1ccccn1)c1sccc1O 769776264 HLZKKSVJYKERAG-UHFFFAOYSA-N 233.296 2.685 30 20 BFED CC(=NNCC(F)(F)F)c1ccc(C)s1 769807914 CSROQEZZYSFNBN-UHFFFAOYSA-N 236.262 2.932 30 20 BFED N#CCCCCOC(=O)CCCC(F)(F)F 771135678 HBSXTRJDEKQAGI-UHFFFAOYSA-N 237.221 2.956 30 20 BFED CC(C)C1CN(c2snc(Cl)c2C#N)C1 771257694 QHWQBEHOGAWFIA-UHFFFAOYSA-N 241.747 2.760 30 20 BFED N#CC1(COC(=O)Cc2ccccc2Cl)CC1 775843634 WNURDUDMDNNURR-UHFFFAOYSA-N 249.697 2.729 30 20 BFED COCC(C)=NNc1nc2ccccc2cc1C 776782286 HNYMCMWTLLOUDY-UHFFFAOYSA-N 243.310 2.977 30 20 BFED C1CCC(ON=C2CCN3CCC[C@@H]23)CC1 777460040 UQSUDENSEADBQQ-ZDUSSCGKSA-N 222.332 2.560 30 20 BFED CC(C)(C#N)CCONC(=N)Cc1ccccc1 777751325 IBOGTBJAEMRTEP-UHFFFAOYSA-N 245.326 2.667 30 20 BFED C=C(C)CN(C)C(=O)/C=C/c1ccsc1 778123329 BAJYBISLVYVVST-SNAWJCMRSA-N 221.325 2.796 30 20 BFED C[C@H]1CC[C@H](OC(=O)c2ccc(C#N)s2)C1 779263070 JVNMPGDHMNPXNH-IUCAKERBSA-N 235.308 2.965 30 20 BFED C#CCCCOC(=O)[C@H]1CCC(C)(C)C1 781692427 GLHDGRXALGMWJW-NSHDSACASA-N 208.301 2.769 30 20 BFED Cn1ccnc1NN=C1CCCC(C)(C)C1 790305231 GBQAKPRXEJSZHC-UHFFFAOYSA-N 220.320 2.788 30 20 BFED C#CCC(C)(C)C(=O)NC[C@@H]1CC[C@H](C)C1 794252418 XKCNSQOJSRTQHD-NWDGAFQWSA-N 221.344 2.588 30 20 BFED C#CCCCN(C[C@@H]1C[C@H]2CC[C@H]1C2)OC 795218309 XLOJOCIUCOYZLM-IHRRRGAJSA-N 221.344 2.699 30 20 BFED CC[C@](C)(C#N)C(=O)OCc1ccccc1C#N 796930558 FHNQTYJKPWOYBR-CQSZACIVSA-N 242.278 2.541 30 20 BFED C=CCOCCOC(=O)c1ccc(CCC)cc1 797298008 ZQJIQUHIIXOKMU-UHFFFAOYSA-N 248.322 2.999 30 20 BFED CCc1cccc2c1N(CCO[C@@H](C)C#N)CC2 801932763 XOGRYOBUVYYBHB-LBPRGKRZSA-N 244.338 2.540 30 20 BFED Cc1ccc(C#N)c(Oc2ccc(F)nc2)n1 804563983 HIKLXLYSRNOZEA-UHFFFAOYSA-N 229.214 2.588 30 20 BFED C#C[C@H](NC(=O)[C@@H](C)c1ccco1)C(C)(C)C 807882711 YFPKLIAEHYIIPC-JQWIXIFHSA-N 233.311 2.547 30 20 BFED CC[C@@H]1CCC1=NNc1cncc(Cl)n1 807963026 UMSQAEZBUIDWBP-SSDOTTSWSA-N 224.695 2.718 30 20 BFED CCC[C@@H](C)C(CC)=NNC[C@@H](O)CC 811652620 RTWVSFJSNGRVIP-MNOVXSKESA-N 214.353 2.549 30 20 BFED C#CCN(C)C(=O)N[C@@H](CC)C1CCCCC1 812023674 ZWPGAWGXCZVQIX-ZDUSSCGKSA-N 236.359 2.620 30 20 BFED C#CCON=C1C[C@@H](OCCCC)C1(C)C 812232803 IYKAZPHBWARRSR-GFCCVEGCSA-N 223.316 2.607 30 20 BFED C#CCON=C1c2cccc(F)c2CC[C@@H]1C 812234809 WWJSUOBJVQFRLO-JTQLQIEISA-N 231.270 2.762 30 20 BFED C#CCCCOC(=O)[C@@H]1CCCC[C@@H]1C 819953583 YESYIFKVDDKZIE-NWDGAFQWSA-N 208.301 2.769 30 20 BFED C=C(C)C(C)(C)C(=O)OCCCC(C)=O 820184677 UTLZUYCPCOBJBE-UHFFFAOYSA-N 212.289 2.501 30 20 BFED C#C[C@H](C)NC(=O)N(C1CC1)[C@H](C)c1ccco1 820426971 CXHVOVIEVQLBKS-WDEREUQCSA-N 246.310 2.536 30 20 BFED CCC[C@H](CC)C(=O)N[C@H](C#N)C(C)(C)C 820642425 TXEORNLARAJKNV-WDEREUQCSA-N 224.348 2.867 30 20 BFED C=CCNc1ccc(F)c(NC(=O)O)c1 825692426 UJKISQCOKPBQIN-UHFFFAOYSA-N 210.208 2.514 30 20 BFED C#Cc1ccc(CN2CC[C@H]3C[C@@H]3C2)cc1 827506477 HLODOKNSPXVCII-LSDHHAIUSA-N 211.308 2.510 30 20 BFED COc1cccc(C)c1C=NOCC(F)(F)F 834965403 ONQWFQWUOHSBBL-UHFFFAOYSA-N 247.216 2.916 30 20 BFED C=C(CC)CNC(=O)COCCCCCC 837100929 LNBCJHHSNMODMI-UHFFFAOYSA-N 227.348 2.666 30 20 BFED CC(C)(C)C#CC(=O)NC[C@@H]1C[C@H]2CC[C@H]1C2 837383843 OTWBAHXOTFYVLS-AVGNSLFASA-N 233.355 2.588 30 20 BFED CC(C)(C)C#CC(=O)Nc1ccc(O)cc1F 837519455 VEWWGMSJLFZMAX-UHFFFAOYSA-N 235.258 2.519 30 20 BFED CC(C)[C@@H](C#N)OC(=O)[C@@H](C)C1CCC1 838793283 JJRCCSKSRBKJRM-GXSJLCMTSA-N 209.289 2.514 30 20 BFED N#Cc1ccc(OC(=O)OCCCF)c(F)c1 841506212 MKRDGWGHRWVMNJ-UHFFFAOYSA-N 241.193 2.572 30 20 BFED C=CCCCCON=C(C)c1cnn(C)c1 842025159 TVQLGUGAOMWGCX-UHFFFAOYSA-N 221.304 2.517 30 20 BFED COC(=O)c1cc(CON=C2CCC2)cs1 842030848 KAORIGLUPNRSDZ-UHFFFAOYSA-N 239.296 2.591 30 20 BFED C=CC(C)(C)C(=O)OC[C@H](CC(C)C)OC 842100679 AMTNSDUJDDITDI-NSHDSACASA-N 228.332 2.803 30 20 BFED C=C(C)CONC(=O)N1CC[C@@H]1c1ccccc1 845593100 VXGSOFUOUZYZLR-CYBMUJFWSA-N 246.310 2.651 30 20 BFED COc1ccc(NCCC(F)(F)F)cc1C#N 846746186 SNGKLKPYQLUEFZ-UHFFFAOYSA-N 244.216 2.931 30 20 BFED C#CCN(C)C(=O)Nc1ccc(Cl)c(C)c1 847252221 PDIZQLBJSIOWMS-UHFFFAOYSA-N 236.702 2.745 30 20 BFED C=CCN(CCOC)Cc1cccc(CC)c1O 848906540 WGCKQEPAOIJXIO-UHFFFAOYSA-N 249.354 2.589 30 20 BFED C[C@H]1CCCC[C@H]1COC(=O)CSCC#N 849680130 FFMIXKDMOWHLLP-QWRGUYRKSA-N 241.356 2.613 30 20 BFED C#CCCOC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 850272526 UEFRNXZMBBVTND-LSDHHAIUSA-N 242.318 2.973 30 20 BFED C#C[C@H](CC)OC(=O)[C@](C)(F)CCCC 850954757 XMRZRBZPVHSBOL-ZYHUDNBSSA-N 214.280 2.860 30 20 BFED C=CC[C@@H]1CCCN([C@H]2CC[C@H](OC)C2)C1 852410452 MGODHTAEIAECCN-RDBSUJKOSA-N 223.360 2.842 30 20 BFED C#CCCN(CCOC)Cc1csc(C)c1 852750516 XHBACTKLWFWSCU-UHFFFAOYSA-N 237.368 2.528 30 20 BFED CC[C@@H](C)NN=Cc1cc(COC)cs1 853337958 YKYOEHUQVKJWRV-SECBINFHSA-N 226.345 2.617 30 20 BFED C=CCCC(C)(C)NC(=O)NOC/C=C/Cl 854084618 KXUBVSCWCOHFOV-SOFGYWHQSA-N 246.738 2.715 30 20 BFED C#CCCOC(=O)NC[C@@H]1CCC[C@@H]1C1CC1 859190420 KEEMXHSWZYSAGR-QWHCGFSZSA-N 235.327 2.562 30 20 BFED CC(C)(C)[C@H](C#N)OC(=O)[C@@H]1C[C@H]1c1ccco1 860646258 CPNBAXKWXRTAFI-FOGDFJRCSA-N 247.294 2.865 30 20 BFED CC[C@H](CC#N)OC(=O)C(C#N)(CC)CC 860694029 CIOSMVFNWKAZHD-SNVBAGLBSA-N 222.288 2.552 30 20 BFED C=CCC1(C(=O)OCC(C)(F)F)CCC1 861223214 OEPTWDLVYRWVEW-UHFFFAOYSA-N 218.243 2.931 30 20 BFED CCCCCCCNC(=O)c1cccc(CO)c1 862357234 QNZYFMKGDXKTRJ-UHFFFAOYSA-N 249.354 2.879 30 20 BFED C#CCCCC(C)=NNc1cccc(C(=O)O)c1 863064850 TYICKNVXNLMZTM-UHFFFAOYSA-N 244.294 2.976 30 20 BFED Cc1cccc(NN=C2CCC2(C)C)n1 863160072 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226.316 2.557 30 20 BFED C=C(CC(C)C)C(=O)N1C[C@H](C)S[C@H](C)C1 1346575181 ZTJQFTCNLIGZIW-TXEJJXNPSA-N 241.400 2.941 30 20 BFED C=C[C@H](C(=O)NCC(C)(F)F)c1ccccc1 1347126029 GQCNFSFZSNXPAJ-NSHDSACASA-N 239.265 2.728 30 20 BFED C=C(CC)C(=O)N[C@@H]1[C@@H](C)CCC[C@H]1C 1348450956 DCJRBDGTQQCZPJ-GDNZZTSVSA-N 209.333 2.894 30 20 BFED C=C(Cl)Cn1cnc(-c2ccccc2)cc1=O 1473054688 TVZUFIZVNNFFQV-UHFFFAOYSA-N 246.697 2.663 30 20 BFED N#C[C@H](C(=O)C1=CCCC1)c1cccc(F)n1 1524696018 NXACEZAOGPSIPG-JTQLQIEISA-N 230.242 2.507 30 20 BFED C=CCCCSCc1cccc(C(=O)O)n1 1588805528 CDQLJGJIRSBPSL-UHFFFAOYSA-N 237.324 2.979 30 20 BFED C=CC[C@H](C(=O)O)N1C[C@H](C)[C@@H]1c1ccccc1 1602835524 RKVBLZPUPWPGCU-IACUBPJLSA-N 245.322 2.709 30 20 BFED C=CCC[C@@H]1CCCN1c1ccnc(C(=O)O)c1 1776170761 PZTXXPNZWMRCDV-LLVKDONJSA-N 246.310 2.715 30 20 BFED N#Cc1cccc(NCc2ccc(O)cc2)c1 19921887 HJSODMDXYIUCGW-UHFFFAOYSA-N 224.263 2.876 30 20 BFED CC(C)(C#N)C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 44426502 DVJHOVCLKRHZMT-NWDGAFQWSA-N 234.343 2.575 30 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2.724 30 20 BFED CCO[C@@H]1CCC[C@@H](OC(=O)CCCC#N)C1 873598042 ZYMDTXBPOVUKCG-VXGBXAGGSA-N 239.315 2.571 30 20 BFED C#CCCCCCCNC[C@@H](O)[C@@H](C)CC 877024953 UKBNNSAMMQKOEE-UONOGXRCSA-N 225.376 2.567 30 20 BFED C#CCCCCCCN1CCN(C)C[C@@H]1CC 877552242 AQCPYZDNQPNHBU-HNNXBMFYSA-N 236.403 2.596 30 20 BFED C=C[C@H]1CCCCN1C(=O)NC[C@H]1C=CCC1 883840162 CBTWSVWADUPWSN-STQMWFEESA-N 234.343 2.703 30 20 BFED C=C(CC)CN1CCC(C(=O)OC(C)C)CC1 886728718 GIPHREKUSCHSOS-UHFFFAOYSA-N 239.359 2.616 30 20 BFED C#CCCCCCC(=O)N[C@@]12CCC[C@@H]1C2 887036084 MOKCKDORFOZBNH-TZMCWYRMSA-N 219.328 2.629 30 20 BFED C=C1CCC(C(=O)O[C@H]2C[C@@H](OCC)C2)CC1 893033912 DIEUTETTWQRRCP-BETUJISGSA-N 238.327 2.844 30 20 BFED C=CCCCNc1cc(C)cc(C#N)n1 893573250 MZBHPFKMMSCVLP-UHFFFAOYSA-N 201.273 2.640 30 20 BFED C=C1CN(C(=O)[C@H]2CCCCC2(C)C)C1 898701796 YBZKHHKLXZZUKA-LLVKDONJSA-N 207.317 2.601 30 20 BFED CC[C@H](NCC1(C#N)CC1)c1ccc(F)cc1O 903105270 BKTAFWHNRYWEGS-LBPRGKRZSA-N 248.301 2.876 30 20 BFED 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30 20 BFED C=CCOc1ccc(CC(=O)OC/C=C/C)cc1 835094723 LXJMLTUZSSTIIU-HWKANZROSA-N 246.306 2.913 30 20 BFED C#CCOc1cccc(OC(=O)C(C)(C)C=C)c1 835145633 USWIXCOBOYHHET-UHFFFAOYSA-N 244.290 2.816 30 20 BFED C=CCCCOC(=O)[C@@H]1Cc2cccc(C)c2O1 835195622 ATAJUVSRTYTBMP-ZDUSSCGKSA-N 246.306 2.808 30 20 BFED C=C(CC)COC(=O)C1(C)CCC(=O)CC1 835661462 PAIXOEMPQJOLQX-UHFFFAOYSA-N 224.300 2.645 30 20 BFED C#CCCCCCCOC(=O)c1ccn(C)c1 835714118 HABQNTUTSOFADG-UHFFFAOYSA-N 233.311 2.766 30 20 BFED C=CC(C)(C)COC(=O)C(C)(C)CCOC 835722350 SEDVAVQIEYRMFF-UHFFFAOYSA-N 228.332 2.805 30 20 BFED C#Cc1ccc([C@@H](OC(C)=O)C(F)(F)F)cc1 836081070 POJWLDXQNCCTFZ-LLVKDONJSA-N 242.196 2.834 30 20 BFED C#C[C@H](NC(=O)N[C@H](C)CC(C)(C)C)C(C)C 836442680 XOFCEGLQPHXZHA-NEPJUHHUSA-N 238.375 2.768 30 20 BFED C=CCCC(=O)N(Cc1ccccc1)OCC 837207903 ZNZBBPUFBMETHT-UHFFFAOYSA-N 233.311 2.933 30 20 BFED C[C@H](c1ccccn1)N(C)C(=O)C#CC(C)(C)C 837372837 KYKCHLYZLRLINJ-GFCCVEGCSA-N 244.338 2.651 30 20 BFED CC(C)[C@@H]1C[C@H]1/N=C/c1cccc(O)c1O 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C=C(Cl)COC(=O)c1cccc(Cl)c1O 775931731 BGTBSMBTARNCFR-UHFFFAOYSA-N 247.077 2.955 30 20 BFED CC(C)(C#N)CCOC(=O)CC1CCC1 776391653 QJDKDWACHOZZBV-UHFFFAOYSA-N 209.289 2.660 30 20 BFED C[C@H]1CC[C@@H](C(=O)Nc2cc(C#N)ccc2O)C1 776482349 SUESPTYYAJTPCM-GXSJLCMTSA-N 244.294 2.639 30 20 BFED C=C(Cl)COC(=O)[C@@H]1CCO[C@@H](CCC)C1 780163438 MCGGFGOZEKBRJI-MNOVXSKESA-N 246.734 2.877 30 20 BFED COc1ccc(NN=C(C)C(C)C)nc1 780269948 AMKXKHBZDCSWSE-UHFFFAOYSA-N 207.277 2.534 30 20 BFED CC[C@@H](C#N)OC(=O)c1ccc(Cl)nc1C 781198179 RNVUZEAPPJYGSS-QMMMGPOBSA-N 238.674 2.502 30 20 BFED C=C[C@H]1CCCCN1Cc1nnc(C(C)(C)C)o1 785997390 MOSRAQXSEODVQD-NSHDSACASA-N 249.358 2.908 30 20 BFED C=C[C@H]1CCCCN1C[C@H](O)c1ccc(F)cc1 785997762 RZYBKMAIVDUBNL-GJZGRUSLSA-N 249.329 2.900 30 20 BFED CC1(C)CCC1=NNc1ncccc1[N+](=O)[O-] 789023270 JZVJFQNYPLLUDI-UHFFFAOYSA-N 234.259 2.578 30 20 BFED C#C[C@@H](CCC)NC(=O)[C@H](C)C1CCCC1 791202651 TXTBCRWMBTXWMB-YPMHNXCESA-N 221.344 2.731 30 20 BFED CSCCON=C(C)c1cccc(F)c1 794574296 AIGOAPSAXKFHEQ-UHFFFAOYSA-N 227.304 2.929 30 20 BFED CC#CCCOC(=O)C[C@H](O)CC[C@@H](C)CC 796350082 KXKOIWOWTNTIPI-QWHCGFSZSA-N 240.343 2.520 30 20 BFED C#C[C@@H](C)NC(=O)Nc1cccc2c1CCCC2 806114088 HMBUVMBUZDXWLH-LLVKDONJSA-N 242.322 2.709 30 20 BFED FCCC[C@@H]1CCCC1=NN[C@@H]1CCSC1 808004064 CYVIUKQFRSHBKW-WDEREUQCSA-N 244.379 2.987 30 20 BFED Cc1cccn2c(C=NOCCC3CC3)cnc12 814245800 ITQKMOHVQNCNML-UHFFFAOYSA-N 243.310 2.793 30 20 BFED Cc1cc(C)nc(NN=Cc2ccsc2C)n1 814681698 YIGNLYGXFQGSFF-UHFFFAOYSA-N 246.339 2.909 30 20 BFED FC(F)(F)c1ccc(CON=C2COC2)cc1 814882219 KSZGZYGHBFWJSO-UHFFFAOYSA-N 245.200 2.608 30 20 BFED c1ccc([C@@H]2CCC(=NN[C@H]3CCOC3)C2)cc1 814918990 DSQTWXNRIQFLGS-HIFRSBDPSA-N 244.338 2.689 30 20 BFED C[C@H]1SCCC1=NN[C@H](C)C(C)(C)C 814937280 ASVWXAKMVGUGMT-RKDXNWHRSA-N 214.378 2.892 30 20 BFED CSCc1cnc(C=NOCC2CC2)s1 814941475 ZMLGHRABMYTRLF-UHFFFAOYSA-N 242.369 2.767 30 20 BFED CC(=NOCCC1CC1)c1cccc(CO)c1 814941926 ZKHYSDSFZQHZRQ-UHFFFAOYSA-N 233.311 2.720 30 20 BFED C#CCCOC(=O)c1nsc2ccc(C)cc12 815506271 RMUFROWFKMJQCD-UHFFFAOYSA-N 245.303 2.785 30 20 BFED C#C[C@@H](C)N(C)Cc1ccc2ccccc2c1O 816593100 FEFRHFMNQMTSFS-GFCCVEGCSA-N 239.318 2.999 30 20 BFED C=C[C@H](CC)CC(=O)NC/C=C/c1cccnc1 820399153 GTXJMYOUOJVXRG-STMXVASLSA-N 244.338 2.813 30 20 BFED CCC[C@@H](CC)C(=O)N(C)CC(C)(C)C#N 823154654 BFTOGBIAJFXGHA-LLVKDONJSA-N 224.348 2.821 30 20 BFED C#Cc1ccc(CN[C@@H](C)[C@H](OC)C2CC2)cc1 825099032 RZTNEBGOVWRYMA-LRDDRELGSA-N 243.350 2.571 30 20 BFED C=CCCCC(=O)Nc1ccc(C(=O)O)s1 825671557 SZBNPSAWXVPOMY-UHFFFAOYSA-N 239.296 2.741 30 20 BFED CC1(C)CCC/C(=C\c2c[nH]c(C(=O)O)c2)C1=O 828060120 GPPIAPKRSVTCHR-UXBLZVDNSA-N 247.294 2.876 30 20 BFED CC[C@H](NN=C(C)[C@@H]1CCCC[C@@H]1C)C(=O)O 834980824 DFTIEYJZBLEISY-WCQGTBRESA-N 240.347 2.641 30 20 BFED c1cc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)ncn1 835001906 LJQYMGVDGZQNIC-WYUUTHIRSA-N 242.326 2.701 30 20 BFED C[C@@H]1CC(=NNc2ccncn2)C[C@H](C)C1 835002748 SOYUDXLSMLHJLV-AOOOYVTPSA-N 218.304 2.701 30 20 BFED 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30 20 BFED CCON=Cc1cc(C)n(-c2cc(C)on2)c1C 767463733 HDBYLFMBJPSPGP-UHFFFAOYSA-N 247.298 2.761 30 20 BFED C#C[C@H](C)NC(=O)[C@H](C)CSc1ccccc1 772962598 NRAGBNWMQPLOEP-NEPJUHHUSA-N 247.363 2.553 30 20 BFED CCN(CCC#N)Cc1ccc(N(C)CC)cc1 773752397 AGGARMGLEGJGGN-UHFFFAOYSA-N 245.370 2.878 30 20 BFED N#CCOc1cccc(C=NOC2CCCC2)c1 774609832 ZIMBLDOCPGERSR-UHFFFAOYSA-N 244.294 2.882 30 20 BFED C[C@H]1CCC[C@@H](C(=O)OCC2(C#N)CC2)C1 775860482 SUGKAAXGKQSDDP-WDEREUQCSA-N 221.300 2.660 30 20 BFED N#Cc1csc(C=NOCCC(F)(F)F)c1 777458863 FALARWLKIQQVFV-UHFFFAOYSA-N 248.229 2.923 30 20 BFED C=CC[C@@H](C(=O)O[C@@H](C)COC)c1ccccc1 778641501 PZMXBHHPGTUFHN-GXTWGEPZSA-N 248.322 2.924 30 20 BFED C[C@H]1CC(C(=O)OCC2(C#N)CC2)C[C@H](C)C1 780235088 UNBNYGCSFVHCCE-GHMZBOCLSA-N 235.327 2.906 30 20 BFED C#CCCCCCC(=O)OCc1cscn1 780257780 DQBQLEFSZOZVQV-UHFFFAOYSA-N 237.324 2.770 30 20 BFED C=CCSCCNC(=O)/C(C)=C(/C)CC 780914796 GQNFDMQPJQYOHN-KHPPLWFESA-N 227.373 2.768 30 20 BFED Cc1cc(C(=O)OCc2ccccc2C#N)co1 781371814 RKEDERXPBGOHGM-UHFFFAOYSA-N 241.246 2.817 30 20 BFED CC(=NN[C@H]1CCCC1(C)C)c1cn(C)nc1C 782285576 BJRYHROSYIOHRI-ZDUSSCGKSA-N 248.374 2.621 30 20 BFED CCC(=NN=c1cc[nH]cc1)c1cccc(F)c1 783524851 TVVUQILMBSBMCR-UHFFFAOYSA-N 243.285 2.869 30 20 BFED C#CCC1(C(=O)N[C@H](C)C=C)CCCCC1 788228372 RKNZJBCKYJVTTR-GFCCVEGCSA-N 219.328 2.651 30 20 BFED C=C(C)CCOC(=O)[C@H]1CC(=O)c2ccccc21 789387689 OKOWFWNPJNHOMR-ZDUSSCGKSA-N 244.290 2.866 30 20 BFED CCOCCON=Cc1ccc2c(c1)CCCC2 793041331 NZPYKVDYLKQANV-UHFFFAOYSA-N 247.338 2.952 30 20 BFED Cc1ncsc1/C=C/C(=O)c1ccnc(F)c1 794718618 BZYYBZQSPHYYBC-NSCUHMNNSA-N 248.282 2.882 30 20 BFED CC(=NNCc1ccccc1)c1ccnc(F)c1 794879883 ZDKQXDBVOYCOAD-UHFFFAOYSA-N 243.285 2.735 30 20 BFED CC[C@@H]1C[C@H](C)CCC1=NN(C)CCOC 794972009 LQENPRPOGHHVCJ-VXGBXAGGSA-N 226.364 2.767 30 20 BFED C=CCNN=Cc1cnc(C(C)(C)C)s1 795000010 WNELZTIPLPALQU-UHFFFAOYSA-N 223.345 2.550 30 20 BFED CC[C@H](C#N)OC(=O)c1oc(C(C)C)nc1C 796211250 GHQBLEMRCQTTMP-SECBINFHSA-N 236.271 2.565 30 20 BFED 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BFED C=C(CN(C)C)C(=O)Nc1c(C)cc(C)cc1C 764417264 KLSBVJAULXMRSM-UHFFFAOYSA-N 246.354 2.668 30 20 BFED C[C@H]1C[C@H]1C=NNc1ncnc2ccsc12 764839933 HRGROWXVVNRWCR-YUMQZZPRSA-N 232.312 2.745 30 20 BFED CC#CCCOc1c(F)cc(F)cc1C(C)=O 764956031 USOIHDKMJTYKOC-UHFFFAOYSA-N 238.233 2.960 30 20 BFED C#CCCCON=Cc1ccc(C)cc1 766742924 GJQIYUXFJOLLEU-UHFFFAOYSA-N 201.269 2.759 30 20 BFED N#CC1(COC(=O)CCC(F)(F)F)CCC1 768086842 RAIWYOJMEFTZMJ-UHFFFAOYSA-N 235.205 2.566 30 20 BFED C=CCCOCC(=O)OCc1ccc(C)cc1C 770116637 VUUMSZIPJJAPIO-UHFFFAOYSA-N 248.322 2.939 30 20 BFED C=C(CC)COC(=O)c1ccc2c(c1)COC2 773503270 OSBYYNMTOLIBFA-UHFFFAOYSA-N 232.279 2.840 30 20 BFED C#C[C@H](C)NC(=O)N(CC)Cc1ccc(C)cc1 773596420 CDXLDLQXBYFNLQ-ZDUSSCGKSA-N 244.338 2.548 30 20 BFED C#C[C@H](N[C@@H](C)c1cccc(C)c1)[C@@H]1CCCO1 775574847 SOZBCNFQJJIIQX-BPUTZDHNSA-N 243.350 2.826 30 20 BFED CC(=NN=c1cc[nH]cc1)c1cccc(Cl)c1 779810062 ZCSMIDKLAMQASN-UHFFFAOYSA-N 245.713 2.993 30 20 BFED CO[C@H](C)[C@@H](C)Nc1ccccc1O[C@H](C)C#N 780743605 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1345427400 BZWAEYCBVOYMPY-UHFFFAOYSA-N 244.250 2.534 30 20 BFED CCC(CC)C(=O)[C@H](C#N)c1nccn1CC 1347338640 UARHVHCOMDUBRE-NSHDSACASA-N 233.315 2.515 30 20 BFED N#CCc1cccc(N[C@@H]2C[C@H]2c2ccco2)n1 1348482337 JQWRPNFDJSPHKB-VXGBXAGGSA-N 239.278 2.709 30 20 BFED C=C(CC)C(=O)N[C@@H]1CCC[C@@H]1SCC 1521177989 SBVIGWHEUKHXQM-MNOVXSKESA-N 227.373 2.743 30 20 BFED COc1cncc(NCc2cc(C#N)cs2)c1 1656759297 XHPLUJCUVPCIHN-UHFFFAOYSA-N 245.307 2.635 30 20 BFED O=C(O)c1cccc(NN=C2CCC3CC2C3)c1 1776038591 SAFBHECRJCDVKE-UHFFFAOYSA-N 244.294 2.973 30 20 BFED C=CCN(CCC(=O)O)Cc1ccc(C)c(C)c1 1776177993 CFTFUQQAYHVUOF-UHFFFAOYSA-N 247.338 2.766 30 20 BFED C=CCN(CCCCCC1CC1)CC(=O)O 1776178885 LPRIEMJNKLOUJO-UHFFFAOYSA-N 225.332 2.529 30 20 BFED Cn1cccc1CNc1ccc(OCC#N)cc1 20360451 FHHDJWPRTGZXHP-UHFFFAOYSA-N 241.294 2.540 30 20 BFED C[C@H](C#N)CNCc1cccc(C(F)(F)F)c1 36667653 MDBXDPCIGXKSKS-SECBINFHSA-N 242.244 2.955 30 20 BFED C[C@H]1CCCN1Cc1ccc(C#N)cc1 37910732 TZBQDVGLFKLVSH-NSHDSACASA-N 200.285 2.543 30 20 BFED CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 41559168 ZPMHYQDRSUPJBA-QMMMGPOBSA-N 249.220 2.628 30 20 BFED C=CCSCC(=O)N(C)c1ccccc1 44332097 SXOWPYQMJJTYPR-UHFFFAOYSA-N 221.325 2.569 30 20 BFED CCCCOCCNc1cccc(F)c1C#N 49262088 PODNDVQWOASWQB-UHFFFAOYSA-N 236.290 2.926 30 20 BFED C[C@H]1[C@H](C)CCCN1C(=O)c1ccc(C#N)cc1 50566091 HVJNJSQXCDJTRN-NEPJUHHUSA-N 242.322 2.819 30 20 BFED CCC[C@@H](C#N)NC(=O)c1cc(F)ccc1C 62665645 SBFQOYOLMMLBBH-NSHDSACASA-N 234.274 2.556 30 20 BFED CC(C)[C@@H](C)CC(=O)NCc1ccc(C#N)cc1 67800660 ILLGZGWIBBOQII-LBPRGKRZSA-N 244.338 2.857 30 20 BFED C=CCN(CC1CCCCC1)C(=O)c1ccon1 69788354 UGJULYCMNKPJDK-UHFFFAOYSA-N 248.326 2.883 30 20 BFED C=C(C)CN(CC)C(=O)N[C@@H]1CC=CCC1 77642681 DYJQOPUSHQNFFC-GFCCVEGCSA-N 222.332 2.703 30 20 BFED CCN(C[C@H](C)C#N)C(=O)c1cc(C)cc(F)c1 79602934 STOADPWBAPEXKI-LLVKDONJSA-N 248.301 2.756 30 20 BFED C#CCN1CCc2[nH]c3ccc(Cl)cc3c2C1 104724689 ZPDKVFPOOLYQTJ-UHFFFAOYSA-N 244.725 2.813 30 20 BFED C=CC1CCN(C(=O)CC2CCCC2)CC1 110360727 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30 20 BFED N#CCN1CCC[C@H]1CCCc1ccccc1 135358872 KWDOFNSLZNVJRL-OAHLLOKOSA-N 228.339 2.997 30 20 BFED CC[C@H](C)[C@H](C)NCc1ccc(C#N)o1 135483077 RLBQIROGXAMAAJ-UWVGGRQHSA-N 206.289 2.675 30 20 BFED CC[C@H](CCO)Nc1ccc(C#N)cc1Cl 135589308 KXRWZJNTNQQHHX-SNVBAGLBSA-N 238.718 2.785 30 20 BFED C=C(C)CNC(=O)c1cc(C)n(C(C)C)c1C 152996100 RMUGVYCGVYRSML-UHFFFAOYSA-N 234.343 2.992 30 20 BFED C=CCN(C)Cc1cc(F)c(F)cc1F 154774174 BEUKJKNTBWFYKT-UHFFFAOYSA-N 215.218 2.722 30 20 BFED Cc1cccc(C(=O)N(C)[C@H](C)CC#N)c1F 154955849 DCPHTHZODPDVGS-SNVBAGLBSA-N 234.274 2.508 30 20 BFED C=CCCOCCNC(=O)C[C@@H]1CC[C@@H](C)C1 155519820 AUVOIVUAIWUAEX-CHWSQXEVSA-N 239.359 2.522 30 20 BFED Cc1ccc(C#N)cc1NC(=O)COC(C)(C)C 158097387 FYDJLIGOAHLMLX-UHFFFAOYSA-N 246.310 2.620 30 20 BFED COc1ccc([C@@H]2CCN(C(C)(C)C#N)C2)cc1 160774953 SMMLBXJBMBHMMM-CYBMUJFWSA-N 244.338 2.787 30 20 BFED C=CCN(C)C(=O)c1sccc1OC(F)F 161538052 SPELFHKMDOZNHJ-UHFFFAOYSA-N 247.266 2.608 30 20 BFED C=CCC[C@@H](C)NCC(=C)Br 164605323 RHPHBYPBIAUMRK-SECBINFHSA-N 218.138 2.839 30 20 BFED C=C(CNC[C@@H]1C[C@H]1C)c1ccccc1 166918645 XFZVSJZXQYBMDW-RISCZKNCSA-N 201.313 2.945 30 20 BFED N#Cc1ccccc1OCc1ccc(Cl)nn1 167297154 AYVPLDWALQKWBR-UHFFFAOYSA-N 245.669 2.581 30 20 BFED C[C@H](C#N)NC(=O)C[C@@H]1CCCc2ccccc21 170979392 AFYQNZRBVDFOAD-YPMHNXCESA-N 242.322 2.525 30 20 BFED C=CC[C@H](C)NC(=O)N[C@H](C)[C@H](C)CC 172063514 DUFNZQGZKDNAPM-OUAUKWLOSA-N 212.337 2.685 30 20 BFED C#CCCCN[C@@H](C)c1cnn(C(C)C)c1 178061399 RCSOPILTUUGRKC-LBPRGKRZSA-N 219.332 2.528 30 20 BFED C#CCCCNC(=O)[C@@H]1C[C@@H]1c1sccc1C 178735921 WOEUWJLPYYNHDZ-NWDGAFQWSA-N 247.363 2.690 30 20 BFED C[C@@H](C#N)Oc1ccccc1N[C@H]1CCSC1 180203800 AVDLUXYXVKMMLZ-QWRGUYRKSA-N 248.351 2.895 30 20 BFED C[C@H](C#N)CNC(=O)NCCCCC(C)(C)C 182644340 XGWWZPNRNYHDCW-LLVKDONJSA-N 239.363 2.662 30 20 BFED CC#CCCCC(=O)Nc1cc(CCCC)n[nH]1 186414182 PZXGFKWCLVAFER-UHFFFAOYSA-N 247.342 2.884 30 20 BFED C=C[C@H](C)NCc1cccc([N+](=O)[O-])c1C 229204723 ZVIKKNQVCDKICM-VIFPVBQESA-N 220.272 2.567 30 20 BFED CCC[C@@H]1C[C@H]1Nc1ccnc(C#N)c1 233311257 XFIPZXBSPBIORO-BXKDBHETSA-N 201.273 2.554 30 20 BFED Cc1ccccc1CC(=O)N[C@H](C#N)CC(C)C 260214913 XPQIFBCBBVFYKP-AWEZNQCLSA-N 244.338 2.592 30 20 BFED C=C1CCN(C(=O)c2cccc(F)c2)CC1 264226873 ZLJQGVCKSVAMSA-UHFFFAOYSA-N 219.259 2.618 30 20 BFED C=C1CCN(C(=O)c2ccc(SC)o2)CC1 264734767 FOSWWGVIXPYBJE-UHFFFAOYSA-N 237.324 2.794 30 20 BFED C=C(Cl)CNC(=O)N1CCC[C@@H]1C1CCC1 265455149 BQIALYSBWGXAQP-LLVKDONJSA-N 242.750 2.713 30 20 BFED C=CCN(Cc1cn2cc(C)ccc2n1)C1CC1 271384269 IWSKPOIOWQSZFB-UHFFFAOYSA-N 241.338 2.793 30 20 BFED C=C(C)CCN[C@@H](CO)c1c(F)cccc1F 274797765 DLDIGCYAMSWTCC-LBPRGKRZSA-N 241.281 2.554 30 20 BFED C=C(C)CNC(=O)c1cc(C)oc1C(F)(F)F 275365082 UKDQSLZLHRPKQB-UHFFFAOYSA-N 247.216 2.913 30 20 BFED CC#CC(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 277649171 KSVHRQNRPQNWBV-NSHDSACASA-N 249.741 2.753 30 20 BFED C=C[C@](C)(CC)c1nc([C@H]2CCCO2)no1 278425021 UDVMLJBIVGYROV-BXKDBHETSA-N 222.288 2.775 30 20 BFED Cc1cnc(C(C)(C)N[C@H]2CC[C@@H](C#N)C2)s1 278507864 BAOOOJUASSFHMG-MNOVXSKESA-N 249.383 2.969 30 20 BFED Cc1nsc(N2C[C@H](C)C[C@@H](C)C2)c1C#N 285543937 ICDNYVPHJXOVSM-RKDXNWHRSA-N 235.356 2.806 30 20 BFED N#Cc1ccnc(NCC2(C3CC3)CCC2)c1 286149428 IPWLJUJUBIYAJJ-UHFFFAOYSA-N 227.311 2.945 30 20 BFED C=CCCCN[C@H](C)c1cc(OC)ncc1F 286885225 CRBKOHFVCDGXPG-SNVBAGLBSA-N 238.306 2.846 30 20 BFED C=C[C@@H](CO)NCc1cccc(Cl)c1Cl 289909347 RNXUVSDPGAZRHI-VIFPVBQESA-N 246.137 2.630 30 20 BFED C#Cc1ccccc1CC(=O)N[C@H]1CCC[C@@H]1C 290183787 GGYOIOCKHJSNEO-WFASDCNBSA-N 241.334 2.515 30 20 BFED Cc1nc(N2CC[C@@H](C)[C@@H](C)C2)ccc1C#N 292057733 WJZANCKCRUXLOZ-MNOVXSKESA-N 229.327 2.744 30 20 BFED CCN(CC#N)[C@H](C)c1ccc(F)c(F)c1 299449160 YYFBHUWZBCTHLF-SECBINFHSA-N 224.254 2.871 30 20 BFED CC[C@@H]1CCCC[C@@H]1N(C)c1ccc(C#N)nn1 301976790 WIESVZCSDPAIBA-YPMHNXCESA-N 244.342 2.753 30 20 BFED N#Cc1ccc(N[C@H]2C[C@@H]2C2CCCCC2)nn1 301996758 OTTPIGVXCDKRTL-OLZOCXBDSA-N 242.326 2.729 30 20 BFED N#Cc1ccc(N[C@@H]2C[C@@H]3OCCC[C@H]32)cc1 302563552 NTCNCRMSAXCWBH-MJBXVCDLSA-N 228.295 2.538 30 20 BFED N#Cc1ccc(NC(=O)N2CCCCC2)cc1F 308115947 MNRSNXKDXDFRKP-UHFFFAOYSA-N 247.273 2.715 30 20 BFED Cc1nc(C#N)cc(N[C@@H](C)CC(C)(C)C)n1 308254184 HXSLMNHTFJFBNC-VIFPVBQESA-N 232.331 2.893 30 20 BFED C[C@@H]1CC[C@@H](NCC2(C#N)CC2)[C@H](C)C1 309097233 DHVZVDHBEWFWJT-IJLUTSLNSA-N 206.333 2.704 30 20 BFED C[C@H](Nc1cc(C#N)ncn1)c1cccs1 309464211 VIIHWAIZRSBTQD-QMMMGPOBSA-N 230.296 2.583 30 20 BFED C=CC[C@H](CO)CNc1nccc(C)c1Cl 309613775 AYBOAYUVKMRNFH-JTQLQIEISA-N 240.734 2.640 30 20 BFED C=C(C)[C@H]1OCC[C@@H]1CNCc1cccs1 309689903 PKHVAAAIYYHMNJ-DGCLKSJQSA-N 237.368 2.819 30 20 BFED N#Cc1cc(F)cc(N[C@H]2CCCOCC2)c1 310491805 OOSRNEIOBXBMEN-LBPRGKRZSA-N 234.274 2.678 30 20 BFED N#Cc1ccc(N[C@@H](C2CCC2)C2CC2)cn1 324746843 QDXZMVCQYLQBBW-AWEZNQCLSA-N 227.311 2.944 30 20 BFED Cc1cc(C#N)nc(N[C@H](C2CCC2)C2CC2)n1 325016910 GZABCAVLDWRYSL-CYBMUJFWSA-N 242.326 2.647 30 20 BFED OC(=Nc1nc[nH]n1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 328975504 BIYPEJPSWMZKQK-GARJFASQSA-N 248.330 2.999 30 20 BFED C[C@H](CC1CCCCC1)N/C(O)=N/CCC#N 331147069 MPQIXAJKSPYFTO-LLVKDONJSA-N 237.347 2.763 30 20 BFED CC1(C)C[C@]1(C#N)NC(=O)CCC1CCCC1 331680843 PXFBMCHBKRZYSY-CQSZACIVSA-N 234.343 2.765 30 20 BFED C=C(C)CNC(=O)c1cnc2c(F)cccc2c1 334246043 SQAUNJGDLQCJRT-UHFFFAOYSA-N 244.269 2.680 30 20 BFED C[C@@H]1CCCC[C@@H]1NC(=O)CC(C)(C)C#N 334316156 SBXUQNMKGKWRAI-MNOVXSKESA-N 222.332 2.621 30 20 BFED Cc1ccc(C#N)cc1OCC1(C#N)CCC1 334623415 UYYGERZUWOHZTN-UHFFFAOYSA-N 226.279 2.939 30 20 BFED N#Cc1ccc(C(=O)N2CC[C@@H]3CCC[C@H]32)cc1 334919920 ARYYBQWTYRRTTR-GXTWGEPZSA-N 240.306 2.573 30 20 BFED CCC1CN(C(=O)Nc2cccc(C#N)c2C)C1 335242300 ZYALDHMUCPFWAE-UHFFFAOYSA-N 243.310 2.740 30 20 BFED N#Cc1cc(F)ccc1CSc1ncco1 335245010 RXOFDKFXOJRYHX-UHFFFAOYSA-N 234.255 2.978 30 20 BFED C[C@H]1C[C@@H](C)C[C@H](C(=O)NCC2(C#N)CCC2)C1 335259865 WUOONQWKTUAUIB-ITGUQSILSA-N 248.370 2.869 30 20 BFED 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238.290 2.883 30 20 BFED CC[C@H](C#N)N(CC)C(=O)C1CC2(CCC2)C1 1262812807 HUZSCKAUPXDNAG-GFCCVEGCSA-N 234.343 2.717 30 20 BFED C=CCN(C)[C@H]1CCc2c(F)cccc21 1320473745 ZMIVBHLGWPCTPI-ZDUSSCGKSA-N 205.276 2.931 30 20 BFED N#CC1(c2nnc(C3CC3)o2)CCCCC1 1325770641 WWFMZXWGJRZHAT-UHFFFAOYSA-N 217.272 2.672 30 20 BFED C=C[C@H](COC)NC/C=C\c1cccc(F)c1 1332364011 CRKSDSHQHCIWSO-BRLPQQTGSA-N 235.302 2.630 30 20 BFED C=CC[C@H](N[C@@H](CC)Cc1ccccc1)C(=O)O 1332420524 OOFZAMMMTKEASU-KBPBESRZSA-N 247.338 2.627 30 20 BFED CC(C)c1ccoc1C(=O)N(C)[C@@H](C)CC#N 1339161115 JPXHWNNBYGUABY-JTQLQIEISA-N 234.299 2.777 30 20 BFED C=C(C)CCC(=O)n1ccccc1=NC(C)C 1339691624 BVZLAEFXUZLYSH-UHFFFAOYSA-N 232.327 2.794 30 20 BFED CC(C)CCCCC(=O)[C@@H](C#N)c1nccn1C 1515836746 MBPHVCWIZHSDIF-GFCCVEGCSA-N 247.342 2.813 30 20 BFED CC[C@H](C#N)N(CC)C(=O)c1ccoc1Cl 1518551178 RZSUSWDONNZLPO-MRVPVSSYSA-N 240.690 2.697 30 20 BFED C#CC[C@H](C)OC(=O)c1cc[nH]c1C(C)C 1524756128 PVMXDKWSIDBPTA-JTQLQIEISA-N 219.284 2.707 30 20 BFED 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221.731 2.886 30 20 BFED C=CCCCOc1cccc(C(=O)O)c1 71273939 LYZXLYWSJONXTC-UHFFFAOYSA-N 206.241 2.730 30 20 BFED N#Cc1ccc(F)c(CNC(=O)CC2CCC2)c1 80788166 YCAKWJNGDBNPHC-UHFFFAOYSA-N 246.285 2.504 30 20 BFED Cc1ccc(NC(=O)N2CCC[C@H](C#N)C2)cc1 83767499 LAGHALOMHDGROR-GFCCVEGCSA-N 243.310 2.763 30 20 BFED C=C(C)c1cccc(NC(=O)C2CCNCC2)c1 83911225 RIWMMPIPOCWNMZ-UHFFFAOYSA-N 244.338 2.658 30 20 BFED C[C@H]1C[C@H](C)CCN1C(=O)c1cc(C#N)cs1 84113131 GBWZPRLAKMSQER-ZJUUUORDSA-N 248.351 2.880 30 20 BFED N#Cc1csc(CNc2cccnc2)c1 86573543 MVCYEFWCVNPJRC-UHFFFAOYSA-N 215.281 2.627 30 20 BFED C=CC[C@H](C)NC(=O)Cc1ccc(F)c(F)c1 87369075 HRYYFKPFNUAVOM-VIFPVBQESA-N 239.265 2.588 30 20 BFED N#Cc1ccc(N[C@@H]2CCCC[C@H]2CN)c(F)c1 89108867 BYAQBXKPENOQHY-WCQYABFASA-N 247.317 2.627 30 20 BFED CCN(CC#N)Cc1cc(C)c(C)cc1C 92398580 IKNAQAGJVBEWPM-UHFFFAOYSA-N 216.328 2.957 30 20 BFED CCN(CCC(C)(C)C#N)Cc1ccccn1 94915617 WPCODTOMHBKCSP-UHFFFAOYSA-N 231.343 2.843 30 20 BFED C=C(C)COC(=O)[C@H](C)Oc1ccc(C)cc1 98069957 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CC[C@](C)(C#N)C(=O)Nc1ccc(F)cc1F 136175265 ZHAWQWUWCSLFTI-GFCCVEGCSA-N 238.237 2.843 30 20 BFED C#CCCCN(CCOC)C(CC)CC 161117739 GMXINBLVXVQLQI-UHFFFAOYSA-N 211.349 2.537 30 20 BFED C=CC1CCN(Cc2ccc(C)cn2)CC1 163403214 QHSNHNBDPARDGR-UHFFFAOYSA-N 216.328 2.788 30 20 BFED C=C(C)CNC[C@H](O)c1ccc(Cl)cc1 167534203 FINQRUCHSTZYQL-LBPRGKRZSA-N 225.719 2.539 30 20 BFED C=C(C)CCNCc1ccc(C#N)cc1 168962317 FYFJNDQHEWUFIT-UHFFFAOYSA-N 200.285 2.614 30 20 BFED CC(C)C[C@H](C)CC(=O)NCCCCC#N 171499242 BATMZDCGMFYVTJ-LBPRGKRZSA-N 224.348 2.869 30 20 BFED C=CCCOC(=O)c1cnc(C)nc1C(C)C 172239505 VTDZXKAJGJGREN-UHFFFAOYSA-N 234.299 2.641 30 20 BFED CC(C)(C)C[C@H](O)CNc1ccc(C#N)cc1 172239867 METJYGCILXTVLA-ZDUSSCGKSA-N 232.327 2.767 30 20 BFED C#CCCCNc1ccc(Br)cn1 172779545 RNOCLMYJIASSOS-UHFFFAOYSA-N 239.116 2.669 30 20 BFED CC[C@H](C#N)OC(=O)C[C@@H](C)CC(C)C 175999832 RPHUZYCZPOGAGK-WDEREUQCSA-N 211.305 2.904 30 20 BFED CC(C)N(Cc1ccc(C#N)cc1)CC(C)(C)O 177774104 BLBPFJFXCKBPMT-UHFFFAOYSA-N 246.354 2.540 30 20 BFED COc1ccccc1C[C@@H](N[C@@H](C)C#N)C(C)C 178397807 HNHHNOZKXFPQBV-GXTWGEPZSA-N 246.354 2.764 30 20 BFED C=CCCC[C@H](C)NC(=O)C1=CCCCO1 179785960 OUAGDYFMCVPGCN-NSHDSACASA-N 223.316 2.542 30 20 BFED C#CCCCCC(=O)N1CCS[C@@H](CC)C1 180307153 RZFIFVNVXQEKQQ-LBPRGKRZSA-N 239.384 2.534 30 20 BFED C=CCCN[C@@H](C)c1csc(CC)n1 184717862 LYCLSWBCYAMKFP-VIFPVBQESA-N 210.346 2.932 30 20 BFED CN(/C(N)=N/CCC1=CCCCCC1)C1CC1 184816670 ADXZEUAAOCDCRT-UHFFFAOYSA-N 235.375 2.676 30 20 BFED C=CC[C@H](C)NC(=O)[C@@H]1C[C@]1(C)C(C)C 185947397 QUKFJIASYUQQAB-GMXVVIOVSA-N 209.333 2.749 30 20 BFED CC#CCCCC(=O)OC[C@H]1CCC(C)(C)O1 190656485 IBWOHFVVOPKKNU-GFCCVEGCSA-N 238.327 2.681 30 20 BFED CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@H]1CCCO1 193050972 KLGSLKGBOMKTCO-RFQIPJPRSA-N 236.359 2.616 30 20 BFED N#Cc1cccc(CSc2ncc[nH]2)c1F 219767475 BQYRCDOGOOAXAB-UHFFFAOYSA-N 233.271 2.713 30 20 BFED CC(C)(C#N)CCCCSc1ncn[nH]1 232525383 CHUVJULNHUJLPT-UHFFFAOYSA-N 224.333 2.617 30 20 BFED CCCCCCCN1CC[C@@](C)(CN)C1 232951822 LSLVCRKYEWIGES-ZDUSSCGKSA-N 212.381 2.628 30 20 BFED CC[C@H]1CN(Cc2ccc(C#N)cc2)C[C@@H](C)O1 247582960 LTSOIERTLNVDKR-DOMZBBRYSA-N 244.338 2.558 30 20 BFED C[C@@H](CC#N)NC(=O)C/C=C\c1ccccc1F 255671702 KPFUEGFIXMSYDN-QZPNVGJNSA-N 246.285 2.647 30 20 BFED C[C@H](CC#N)Nc1ncccc1Br 260147396 HPDCZKGUCUFBLX-SSDOTTSWSA-N 240.104 2.558 30 20 BFED N#C[C@@]1(c2ccccc2F)CCCC(=O)C1 261508590 UZSJYUVAIXKZQK-CYBMUJFWSA-N 217.243 2.730 30 20 BFED CCN(CC)/C(N)=N/[C@@H]1C[C@H]1C1CCCCC1 262861422 UDUPQQZGBTUTIB-QWHCGFSZSA-N 237.391 2.612 30 20 BFED c1ccc(OCCON=C2CCC2)cc1 265457832 MHRKFWOUQFCVDC-UHFFFAOYSA-N 205.257 2.622 30 20 BFED C=CCC[C@@H](O)CN(Cc1ccco1)C(C)C 268560187 OUOBCCMAJLKBER-CYBMUJFWSA-N 237.343 2.817 30 20 BFED Cc1cccc(C(=O)N(CC#N)C2CC2)c1Cl 269961003 JBIKHRMVMOQRIT-UHFFFAOYSA-N 248.713 2.777 30 20 BFED C#CCCOc1ccc(C(=O)N(CC)CC)cc1 270442966 KQAZZRRKIZOOHG-UHFFFAOYSA-N 245.322 2.571 30 20 BFED CC[C@H]1CC[C@@H](C)N1C(=O)C#Cc1ccccc1 271463818 QDNYXSIMGASKMN-HIFRSBDPSA-N 241.334 2.828 30 20 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223.360 2.537 30 20 BFED CC(=NNc1ncccc1C)c1ccnc(F)c1 794939681 LXUVYLKGHLBFCO-UHFFFAOYSA-N 244.273 2.760 30 20 BFED C#C[C@H](NC(=O)CCc1ccccc1F)C(C)C 799045954 YMPSPMRJUAJEKF-AWEZNQCLSA-N 247.313 2.532 30 20 BFED CC(COC(C)C)=NNc1cc(C)ccn1 799881720 WPACYPMGGCHKNJ-UHFFFAOYSA-N 221.304 2.603 30 20 BFED CC#CC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 801138288 KKDOAAJRHQYLOF-AWEZNQCLSA-N 227.307 2.619 30 20 BFED C#CC[C@@H](OC(=O)/C=C/c1ccc[nH]1)C(C)C 802100832 CRACSPMLYGULTP-MMQHEFTJSA-N 231.295 2.619 30 20 BFED C=CCCCCCCNC(=O)c1cccn1C 805220162 FZHJZNPFPLNICA-UHFFFAOYSA-N 234.343 2.891 30 20 BFED COc1cccc(/C=N\[C@H](C)C(F)(F)F)c1O 806552328 RIXMYBOPLMFOKT-YBNGVGCVSA-N 247.216 2.771 30 20 BFED CC(=NNc1nc[nH]n1)c1ccc(C(C)C)cc1 807998578 LOUWKVDCBIFJJM-UHFFFAOYSA-N 243.314 2.764 30 20 BFED C#C[C@@H](NC(=O)NCCC1(C)CC1)C(C)(C)C 808298436 SGFLNBBYZXZLQD-LLVKDONJSA-N 236.359 2.524 30 20 BFED Cc1cccc2c1C/C(=C\c1cnccn1)C2=O 809153637 AJEPQUKDPFQGOO-YRNVUSSQSA-N 236.274 2.607 30 20 BFED C#Cc1ccc(CN2CCO[C@](C)(CC)C2)cc1 809650186 QGXMDBSEJVEIOG-MRXNPFEDSA-N 243.350 2.669 30 20 BFED FC(F)(F)c1cscc1C=NNC1CC1 811647320 GJXOPMYDXWHWTP-UHFFFAOYSA-N 234.246 2.853 30 20 BFED C#CCCCC(=O)N(C)[C@H](C)CCCC 811959938 KUADJNNWQZIAOT-GFCCVEGCSA-N 209.333 2.827 30 20 BFED C#CCON=C(CC)c1cccc(F)c1 812232801 IXMVRVSMEGNAIZ-UHFFFAOYSA-N 205.232 2.590 30 20 BFED C#CCON=Cc1ccc(N(CC)CC)cc1 812232892 IKADUPCEBDIAOS-UHFFFAOYSA-N 230.311 2.517 30 20 BFED C#CCON=C(C)c1ccc2cc(O)ccc2c1 812233620 XMRFMWLLJJUBMU-UHFFFAOYSA-N 239.274 2.919 30 20 BFED CC(=NN=C1CC[C@@H]1C1CCC1)c1cnccn1 814861603 XITYBZUCHCVSPT-GFCCVEGCSA-N 242.326 2.852 30 20 BFED CC1(C)CCC[C@@H]1NN=C1COc2ccccc21 814917092 HMXBNWQXHHYYSU-AWEZNQCLSA-N 244.338 2.951 30 20 BFED Cc1cccc(C=NOC/C=C/Cl)c1O 814933836 BVTBOYZYQMZZRW-WRWLHXTISA-N 225.675 2.804 30 20 BFED CC(F)(F)C(=O)N[C@@](C)(C#N)C1CCCCC1 815622371 SWFHKWNLLAUKAR-NSHDSACASA-N 244.285 2.620 30 20 BFED CCCCCC(C)=Nn1c(S)nnc1S 818268282 GOSXZICDVUBCHP-UHFFFAOYSA-N 244.389 2.660 30 20 BFED CCC(=NN[C@H](C)c1ccncc1)[C@@H]1CCOC1 819816258 IBVNSCFKWPRDDL-DGCLKSJQSA-N 247.342 2.535 30 20 BFED C[C@H](NN=C1CCC1(C)C)c1ccncc1 819817933 HTAXNIPZXCJIOJ-JTQLQIEISA-N 217.316 2.908 30 20 BFED C#C[C@@H](CCC)NC(=O)N(CC)[C@@H](C)CC 820666895 OBAZSHYEMWWRAK-RYUDHWBXSA-N 224.348 2.618 30 20 BFED C#C[C@H](CC)NC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 821567422 MWHXVPMYTQBTBS-DGAVXFQQSA-N 248.370 2.618 30 20 BFED C=CCCCC(=O)Oc1cc(C(=O)O)ccc1C 825671249 IROJMKFKLOCHFH-UHFFFAOYSA-N 248.278 2.955 30 20 BFED C#CCCCN(Cc1ccccc1)OCC 832800549 RWYUVOJSXMYIQE-UHFFFAOYSA-N 217.312 2.854 30 20 BFED CC[C@@H](C)CC=NNc1ncccc1[N+](=O)[O-] 834961155 IYGZQHJUNUPMHD-SECBINFHSA-N 236.275 2.824 30 20 BFED CC(C)ON=Cc1cc(F)c(F)cc1F 834999770 FPOGCORVYRDBKB-UHFFFAOYSA-N 217.190 2.863 30 20 BFED C=CCON=C1CC[C@@H]2CNc3cccc1c32 835016179 WLEMKBXWUALEOW-SNVBAGLBSA-N 228.295 2.896 30 20 BFED C=CC(C)(C)C(=O)O[C@H]1CCOC(C)(C)C1 835336977 LCKDJIZUMWEPDN-JTQLQIEISA-N 226.316 2.699 30 20 BFED CC#CCCCC(=O)O[C@H](C)CCSC 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BFED C=C(Cl)CN1CCN(C(C)(C)CC)CC1 847037703 DMBPXWSYFVRWPC-UHFFFAOYSA-N 230.783 2.545 30 20 BFED CC[C@H](CC#N)OC(=O)/C(C)=C\c1ccco1 847692629 SFEPZTPYWZKLTI-DWOQACPDSA-N 233.267 2.918 30 20 BFED C=C(Cl)CNc1cccc(CC(=O)OC)c1 849314926 KGOLFQBUKLVPGR-UHFFFAOYSA-N 239.702 2.567 30 20 BFED CC(C)(C#N)CC(=O)OCc1cc(C2CC2)no1 849763988 LPSJDNWCOSOQDU-UHFFFAOYSA-N 248.282 2.535 30 20 BFED CO[C@H](C)CCC(=O)O[C@@H](C)CC(C)(C)C#N 851207962 LAKKQBFSCCEXRM-MNOVXSKESA-N 241.331 2.673 30 20 BFED C=CCCC(C)(C)NC(=O)OCCCF 851874201 ARRYXIUSGVCMIP-UHFFFAOYSA-N 217.284 2.817 30 20 BFED CCN(C/C(Cl)=C\Cl)[C@@H](C)C#N 852644786 VFUIGBCNZSUOPK-PUSOHNNWSA-N 207.104 2.539 30 20 BFED C#CCCN(CCOC)Cc1cccc(CC)c1 852749455 YWSAXHMTCLDFAD-UHFFFAOYSA-N 245.366 2.721 30 20 BFED COc1cncc(C=NN[C@H]2CCCC2(C)C)c1 853342035 YXPSMGOXWPIZHT-ZDUSSCGKSA-N 247.342 2.592 30 20 BFED CC(=O)c1cc(NC(=O)C#CC(C)C)ccc1C 855053469 HXLCYWRLZQENPO-UHFFFAOYSA-N 243.306 2.796 30 20 BFED C=CCCONC(=O)[C@@H](C)c1ccc(CC)cc1 856031288 KAMTUXNOTXIEQP-LBPRGKRZSA-N 247.338 2.976 30 20 BFED COc1cc(C=NOCC(F)F)ccc1Cl 863107850 DRAIUCOCZFTMHF-UHFFFAOYSA-N 249.644 2.964 30 20 BFED C=CC[C@@H](C)NCc1cc(F)ccc1N(C)C 865468990 HQUNKVVFIAAWPH-LLVKDONJSA-N 236.334 2.946 30 20 BFED C=CC(C)(C)CC(=O)N[C@H](C)[C@@H]1CCCOC1 879425355 RRAQCTATKTXKHZ-VXGBXAGGSA-N 239.359 2.520 30 20 BFED CCCCCCCCN1C(=O)[C@H]2CC[C@H]2C1=O 883066273 QZBHWTYEFKBJGE-TXEJJXNPSA-N 237.343 2.742 30 20 BFED C=CCC(CC=C)C(=O)NC/C=C/Cl 891205749 KBDVZJSGURMJHO-VMPITWQZSA-N 213.708 2.624 30 20 BFED C#C[C@H](OC(=O)CCF)c1ccc(C)cc1 893251586 TVTSVHOYLXQDMX-LBPRGKRZSA-N 220.243 2.572 30 20 BFED C=C[C@H](CO)N[C@H]1CCC[C@H]1Cc1ccccc1 895340107 HQQRCHBPZYNSKU-XHSDSOJGSA-N 245.366 2.534 30 20 BFED C=C1CC(c2noc(-c3ccc(C)nc3)n2)C1 896885125 VCVQPIMBISKTHR-UHFFFAOYSA-N 227.267 2.874 30 20 BFED C=C1CCC(C(=O)N[C@@H]2C[C@H]2C(F)(F)F)CC1 899172911 GTPSCKAMSZTAFX-NXEZZACHSA-N 247.260 2.800 30 20 BFED N#CC1(CCCCn2ccsc2=O)CCC1 901493180 CHQFZVHOEYBCKS-UHFFFAOYSA-N 236.340 2.774 30 20 BFED C=CCCCCNc1cnn(CC(F)F)c1 902082139 FBKAUSOEDCHROR-UHFFFAOYSA-N 229.274 2.916 30 20 BFED C[C@H]1CC[C@@H](C)[C@H](C)[C@H]1NCCCC#N 903146912 CEAFHXIDWKFBKF-VOAKCMCISA-N 208.349 2.950 30 20 BFED C=CCC[C@H](NC[C@@H]1CCN1C)c1ccco1 903319029 VRZVTJWJHSPOEJ-STQMWFEESA-N 234.343 2.581 30 20 BFED N#CC1(CCCCN2CCCC[C@H]2CN)CCC1 903713525 ULWWVMVDSMUZCP-AWEZNQCLSA-N 249.402 2.664 30 20 BFED C#C[C@@](C)(CC)NC(=O)/C(F)=C(\C)C1CC1 908529518 ONZYRHRMTNGFGR-FUWURINLSA-N 223.291 2.558 30 20 BFED CCCC(C)(C)C(=O)OCc1cc(C#N)ccn1 909417919 SOADGBQPMJHVDO-UHFFFAOYSA-N 246.310 2.823 30 20 BFED Fc1ccc(CNN=C2CCCC2)cc1F 915975670 FTZIJYOVIVCGIO-UHFFFAOYSA-N 224.254 2.984 30 20 BFED C#CCN(CC)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 919876411 LTAIZCXUBPKGEH-QWHCGFSZSA-N 233.355 2.707 30 20 BFED CC(C)c1ccoc1C(=O)N1CCC[C@@H](C#N)C1 928216293 CGPLOFHZCNKJAO-NSHDSACASA-N 246.310 2.779 30 20 BFED C[C@@H]1CCC[C@@H]1CC(=O)N1CCC[C@H](C#N)C1 928218878 KHYBVETULZFONG-JHJVBQTASA-N 234.343 2.575 30 20 BFED Cc1ccccc1[C@H](C)C(=O)O[C@H](C#N)C1CC1 1122682170 DOULJXXLTDNVMJ-SMDDNHRTSA-N 243.306 2.944 30 20 BFED Cc1cc(C#N)cc(NC(=O)NC/C=C\Cl)c1 1206306164 VRMWZSNERZXJCP-IHWYPQMZSA-N 249.701 2.741 30 20 BFED C[C@H]1CCCCN1c1cccc(CC#N)n1 1255096871 YBXCHMMQULCECS-NSHDSACASA-N 215.300 2.526 30 20 BFED C=C(CC)C(=O)N(C)c1ccc(F)cc1 1263710190 PDAWTFNYSNQPFI-UHFFFAOYSA-N 207.248 2.755 30 20 BFED C=C[C@@H]1OCC[C@H]1Nc1nc2cccc(C)c2o1 1324486990 BZRAMKLECQJGEC-PWSUYJOCSA-N 244.294 2.892 30 20 BFED CC(C)(C#N)CN[C@@H]1CCc2nc(Cl)ccc21 1332447775 IIOGLRRTKYEKMX-SNVBAGLBSA-N 249.745 2.862 30 20 BFED C=CC[C@@H](C)NCCC(=O)Nc1ccccc1 1335985607 DFUSRENJFXQVPO-GFCCVEGCSA-N 232.327 2.569 30 20 BFED C=CC(C)(C)Cc1nnc(N(C)C2CCC2)n1C 1338014907 LRMWTWYETFFENM-UHFFFAOYSA-N 248.374 2.559 30 20 BFED C=C(C)CCC(=O)N[C@@H](C)c1cncc(F)c1 1339027904 GNUJRIBXXGZGAN-JTQLQIEISA-N 236.290 2.754 30 20 BFED C#CC[C@H](C)OC(=O)[C@H]1CCCC[C@H]1C 1342631578 DIEIVZCJGGQAAF-WOPDTQHZSA-N 208.301 2.768 30 20 BFED C#Cc1cccc(CNCCC(C)C)c1 1344077225 XHLFNVBDZAOEMZ-UHFFFAOYSA-N 201.313 2.804 30 20 BFED CC[C@@](C)(C#N)c1nnc(-c2cccc(C)n2)o1 1346663470 RBJGJACPOKCXMP-ZDUSSCGKSA-N 242.282 2.631 30 20 BFED C=C(CC(C)C)C(=O)N[C@@H]1CCCC1(F)F 1347585383 XFSYCBBOGZVGEB-SNVBAGLBSA-N 231.286 2.893 30 20 BFED C#CCCCCCC(=O)NC1(CC)CC1 1347871768 PGNLEDJBYCIKBF-UHFFFAOYSA-N 207.317 2.629 30 20 BFED N#CC[C@@H](OC(=O)CC1CC1)c1ccco1 1518000834 JEYCMUFUUORTAZ-LLVKDONJSA-N 219.240 2.578 30 20 BFED C=C[C@H](NCCCCC1CCCC1)C(=O)O 1602818528 APUVORUIGXHMQX-LBPRGKRZSA-N 225.332 2.576 30 20 BFED CCc1c(C)nc(-c2ccccc2)nc1C#N 1898208019 HODLEAVVMHLTSM-UHFFFAOYSA-N 223.279 2.886 30 20 BFED COc1ncccc1NCc1cccc(C#N)c1 37070498 FGIRGCCKHKJOIK-UHFFFAOYSA-N 239.278 2.574 30 20 BFED Cc1cccc(CN(C)c2ccc(C#N)cn2)c1 42338599 WXJNLGZVQHFBIF-UHFFFAOYSA-N 237.306 2.898 30 20 BFED CC[C@@H](CC#N)NCc1cc(F)c(F)c(F)c1 62708883 ARZCINFDKOEJOH-VIFPVBQESA-N 242.244 2.886 30 20 BFED N#CC1(NC(=O)CCC2CCCC2)CCC1 63477152 AHTABAQSUZNGAZ-UHFFFAOYSA-N 220.316 2.519 30 20 BFED C[C@H]1CCC[C@@H](NCC2(CC#N)CC2)C1 83853754 WUHUGJBRAKJVBX-NWDGAFQWSA-N 206.333 2.849 30 20 BFED CCCC[S@@](=O)Cc1ccccc1C#N 84265677 CLPCITHJKURIRA-HNNXBMFYSA-N 221.325 2.607 30 20 BFED CN(Cc1ccc(C#N)cc1)c1ncccc1F 84483767 JJXYHHYHGGLKNK-UHFFFAOYSA-N 241.269 2.729 30 20 BFED COC(=O)C[C@H](C)SCCC(C)(C)C#N 85160730 USTPNSUPESBWNW-VIFPVBQESA-N 229.345 2.611 30 20 BFED CC#CCN[C@H](C[C@@H]1CCOC1)c1ccccc1 90919540 HTPAVOOOULAAFY-GOEBONIOSA-N 243.350 2.767 30 20 BFED C=CCN(CC=C)C(=O)c1ccc(C)cc1F 94196027 SDJPNPWLRUDSTL-UHFFFAOYSA-N 233.286 2.948 30 20 BFED CCN(CC#N)C(=O)[C@@H](C)CC1CCCC1 114251453 RZJNIXNPCVFJOV-NSHDSACASA-N 222.332 2.575 30 20 BFED C=CC[C@H](C)NC(=O)c1cc2ccccc2[nH]1 116852712 WEUPOUFAKSYITM-JTQLQIEISA-N 228.295 2.862 30 20 BFED C=CCCCS[C@H](C)C(=O)NCC(C)C 117945070 INFOGXRUPWALHA-LLVKDONJSA-N 229.389 2.847 30 20 BFED C=CCC[C@H](NC[C@@H]1CCCN1CC)C1CC1 119857480 XYIBUZLOYHWCSD-GJZGRUSLSA-N 236.403 2.805 30 20 BFED CC(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C#N 119952274 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30 20 BFED N#CCCN[C@H](c1ccc(F)cc1)[C@H]1CCCO1 575740641 FDAAOOWIDDJMOH-ZIAGYGMSSA-N 248.301 2.549 30 20 BFED CC#CCNC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 583473326 IBNHDKKULIYOIM-HZSPNIEDSA-N 248.370 2.668 30 20 BFED CC(C)=C[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C#N)C1(C)C 590994135 GOFJBCPGOKBTJX-UTUOFQBUSA-N 234.343 2.595 30 20 BFED CC[C@@H](C#N)C(=O)Nc1cc2[nH]ccc2cc1C 593635544 GUCWXFZVJACUMD-JTQLQIEISA-N 241.294 2.965 30 20 BFED N#Cc1csc(CN2CCCC(F)(F)C2)c1 593657402 RLVYQXUWZKITEL-UHFFFAOYSA-N 242.294 2.851 30 20 BFED CCN(CCC#N)CCc1noc2ccccc12 593960330 VFXHCDHGXBJIBM-UHFFFAOYSA-N 243.310 2.606 30 20 BFED N#Cc1c(NC2CCC2)cccc1-n1cccn1 594550246 QYLAIUGMNVEMHN-UHFFFAOYSA-N 238.294 2.708 30 20 BFED Cc1ccc(CN(C2CC2)[C@H](C)C#N)cc1 595713385 HTVWMVWASMBDET-GFCCVEGCSA-N 214.312 2.872 30 20 BFED C[C@@H](CC#N)NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 596996941 YSWBFBGNIHVEQO-WUHRBBMRSA-N 234.343 2.621 30 20 BFED Cc1ccc(C)c(C(=O)N(C2CC2)[C@H](C)C#N)c1 598122452 BNZZYXRHVQGAFH-GFCCVEGCSA-N 242.322 2.820 30 20 BFED C[C@@H](N(C)C[C@H](O)CC(C)(C)C#N)C(C)(C)C 598590661 VBDJAWKKPWCSPJ-VXGBXAGGSA-N 240.391 2.654 30 20 BFED CC(C)/C=C\c1cn([C@@H]2CC[C@H](C#N)C2)nn1 600972739 DKGCWFIQVKQSIV-HCRUJZKASA-N 230.315 2.812 30 20 BFED Cc1ccc(C#N)c(N2CCC(C)(F)CC2)n1 601246961 WAJRBFUFDSYSHX-UHFFFAOYSA-N 233.290 2.590 30 20 BFED C[C@@H](CCC#N)CNCc1ccccc1[N+](=O)[O-] 602516462 MGXYYWWUKOFVOP-NSHDSACASA-N 247.298 2.624 30 20 BFED CCOCCC1(CNC[C@@H](C)CCC#N)CC1 602582452 LZFMVBXFMUSKHO-ZDUSSCGKSA-N 238.375 2.723 30 20 BFED Cn1c(CNCCCC#N)cc2ccccc21 602604055 HSDIDXWQJZRRCC-UHFFFAOYSA-N 227.311 2.572 30 20 BFED Cc1ccc2ncc(CN[C@@H](C)CC#N)cc2c1 602870170 MJUVUUOKENGAKN-LBPRGKRZSA-N 239.322 2.935 30 20 BFED Cc1c(C#N)cccc1NC(=O)NC1CC=CC1 610905694 FPQFNDCQCMSSCU-UHFFFAOYSA-N 241.294 2.707 30 20 BFED C[C@@H](CCC#N)CN(CC#N)C1CCCC1 618887997 LLJPENKERMVUCM-LBPRGKRZSA-N 219.332 2.694 30 20 BFED C=CC[C@H](C)NC(=O)c1ccc2ccn(C)c2c1 631343534 FICXXUIHRJGUMY-NSHDSACASA-N 242.322 2.873 30 20 BFED C=CCN(C[C@H]1CCO[C@@H]1C)C(C)(C)C 639827976 LIULRRVRVJIQBA-VXGBXAGGSA-N 211.349 2.698 30 20 BFED C=CCCNCc1c(C2CC2)nc2sccn12 657582725 BVPZFDVDWSYSFD-UHFFFAOYSA-N 247.367 2.939 30 20 BFED C=CCCNC(=O)N[C@H](CC)CC(F)(F)F 661023965 IKVOVMNVWWREHT-MRVPVSSYSA-N 238.253 2.593 30 20 BFED C=CC[C@H]1CCCN(c2ncnc(CC)c2F)C1 664254674 YFQBWWOWSKFLHY-NSHDSACASA-N 249.333 2.971 30 20 BFED C=C(C)CN(C)C(=O)NCC1CC(C)(C)C1 672846995 VHVPCPHGIHVBQI-UHFFFAOYSA-N 224.348 2.640 30 20 BFED C=C(C)CN1CC(c2nc3ccccc3[nH]2)C1 675024347 UMCAUEQRTSTUKU-UHFFFAOYSA-N 227.311 2.538 30 20 BFED C=CCCOCC(=O)N1CCCC[C@H]1CCC 680410735 QYXCECUVOFWTAR-CYBMUJFWSA-N 239.359 2.760 30 20 BFED CC#CCNC(=O)Nc1ccc(C2CC2)cc1 682399040 RTGQUPYFQZQUQO-UHFFFAOYSA-N 228.295 2.709 30 20 BFED C=CCC1(C(=O)NC[C@H](C)C2CC2)CCC1 682881282 NLTPEOTXSLRFOP-NSHDSACASA-N 221.344 2.895 30 20 BFED C#C[C@@](C)(CC)NC(=O)c1cccc(OC)c1C 691225705 YLMPZSHTJQHCAP-HNNXBMFYSA-N 245.322 2.535 30 20 BFED C#CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 710321547 XJQDGCNHBUIUJN-JTQLQIEISA-N 227.263 2.585 30 20 BFED COc1cccc(NN=C(C)[C@H]2CCOC2)c1 741758130 AKQIRNKYLSOCSN-NSHDSACASA-N 234.299 2.520 30 20 BFED C#CCN(CC)[C@H](C)CCc1ccccc1 746143810 IWQAVRLUCBJIEK-CQSZACIVSA-N 215.340 2.963 30 20 BFED C[C@@H]1OCCC1=NNCc1ccccc1Cl 747753005 JUSNPWUCBDXKLG-VIFPVBQESA-N 238.718 2.594 30 20 BFED CCC(C=NNC(=S)N[C@@H](C)C1CC1)CC 751531351 MORDSNHCKPGYDS-VIFPVBQESA-N 241.404 2.671 30 20 BFED C#CCN(CC)CCCOCc1ccccc1 754050494 LADLZEPUOQLAQH-UHFFFAOYSA-N 231.339 2.548 30 20 BFED C=C(Cl)CNC(=O)N[C@@H]1CCC[C@H]1CC 756942714 HHQYMFHRZMUWMC-NXEZZACHSA-N 230.739 2.617 30 20 BFED C#CCCc1noc([C@H](C)c2cccs2)n1 762008105 ZEOIGRRZDQHOIV-SECBINFHSA-N 232.308 2.849 30 20 BFED C=CCN(C(=O)c1cc(C(C)C)on1)C(C)C 764011034 ZGAPQYBMHQABPQ-UHFFFAOYSA-N 236.315 2.835 30 20 BFED C#CCN(C(=O)CCCCCCC(C)=O)C1CC1 764446713 JBTATYNTBUAWDY-UHFFFAOYSA-N 249.354 2.540 30 20 BFED CCC(CC)NN=C1CC(C(F)F)C1 766025898 VQFIUFQUKQLBOR-UHFFFAOYSA-N 204.264 2.796 30 20 BFED C#CCCCN1CCS[C@@H]2CCCC[C@@H]21 766903314 CMHHCDWPGKFXMM-QWHCGFSZSA-N 223.385 2.760 30 20 BFED C#C[C@@H](C)N(C)C(=O)C=C(CCC)CCC 767254257 JTEBQMDXUWLBGR-GFCCVEGCSA-N 221.344 2.993 30 20 BFED C#CC(=O)N1C[C@@H](c2ccccc2)c2ccccc21 769325559 RFGFUWPPZJBJFA-HNNXBMFYSA-N 247.297 2.798 30 20 BFED C=CCCCCNC(=S)NCCCSC 769759794 GBOFBJWGOHPEPY-UHFFFAOYSA-N 246.445 2.560 30 20 BFED COCC(=NNc1c(C)cccc1F)C1CC1 769840887 OSZGPUGRBFWGPN-UHFFFAOYSA-N 236.290 2.958 30 20 BFED N#CCC(=O)N(Cc1ccco1)c1ccccc1 772817407 DOHVUEGXQQFIOZ-UHFFFAOYSA-N 240.262 2.726 30 20 BFED C=CCNC(=S)NCC1(C)CCCCCC1 776268917 WJGFDXSMKNDYMD-UHFFFAOYSA-N 240.416 2.997 30 20 BFED C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NO 782169844 SBTGPOWXOUMYNP-LURJTMIESA-N 248.109 2.677 30 20 BFED CN1CCCC(=NN[C@@H]2CCCC2(C)C)CC1 782286246 HJYWPSUGFVMHMN-CYBMUJFWSA-N 237.391 2.626 30 20 BFED CC(C)(C)CCNN=Cc1cccc(F)c1O 782907014 HXDXQPCJCDHVLA-UHFFFAOYSA-N 238.306 2.891 30 20 BFED C#CCCCN[C@@H]1CCCc2c(O)cccc21 792336207 BAISKMSGYJKZJR-CQSZACIVSA-N 229.323 2.773 30 20 BFED CC[C@H](C#N)NC(=O)[C@H](F)CC1CCCCC1 793319977 TXWKSJMORZQUAN-VXGBXAGGSA-N 240.322 2.713 30 20 BFED COCCN(C)N=CCC1CCCCCC1 794966043 IPZALFPAFKYGMU-UHFFFAOYSA-N 226.364 2.911 30 20 BFED C[C@H](C=NNc1ncccc1F)CCC#N 794990017 LDSDTEYJEQQYOY-VIFPVBQESA-N 220.251 2.558 30 20 BFED CCC[C@H](C(=O)O[C@H](C#N)CC)c1ccccn1 799536807 XKHTUPPOPMDIQW-RYUDHWBXSA-N 246.310 2.811 30 20 BFED COCC[C@@H]1CCCC1=NNc1ncccc1C 799886220 LZJJVHLABWWLPU-LBPRGKRZSA-N 247.342 2.995 30 20 BFED C=CCCCCCCNC(=O)[C@@H]1CCO[C@H]1C 805218817 MICZRXGGOULLOY-QWHCGFSZSA-N 239.359 2.664 30 20 BFED C#CCN(CCOC1CCC1)C1CCCCC1 805740342 UKIIGRYHKKVUMS-UHFFFAOYSA-N 235.371 2.823 30 20 BFED C#CCN(Cc1ccccc1)C[C@@H](O)C(C)(C)C 808758872 IAOOOLRCNOVBHN-OAHLLOKOSA-N 245.366 2.529 30 20 BFED N#CCOC(=O)c1nc2ccccc2cc1Cl 811293564 TXWQPTFMBAIYKH-UHFFFAOYSA-N 246.653 2.569 30 20 BFED CSCCON=C1CCc2ccc(C#N)cc21 811647825 CRTXOUJZLOUZJA-UHFFFAOYSA-N 246.335 2.588 30 20 BFED CC(C)[C@H]1CC(=NOC2CCC2)CCO1 812236308 JQQFXJKJRRAZBI-GFCCVEGCSA-N 211.305 2.747 30 20 BFED C=C[C@H]1CCCCN1C(=O)NOC[C@@H](C)CC 813829489 JRUAWVGXZTYWMG-RYUDHWBXSA-N 240.347 2.714 30 20 BFED CCC(C=NNS(=O)(=O)C(C)C)(CC)CC 814826039 QIJJBFOBLFTIMJ-UHFFFAOYSA-N 248.392 2.516 30 20 BFED Nc1ccc2c(c1)C(=NNC1CCCC1)CCC2 814833096 XFJPTROCAXCBCO-UHFFFAOYSA-N 243.354 2.841 30 20 BFED CCCNN=Cc1cccc(C2CC2)c1 817323945 XVBYLOOQRYOWHZ-UHFFFAOYSA-N 202.301 2.898 30 20 BFED C#C[C@H](C)NC(=O)N(C1CC1)[C@@H](C)[C@@H](C)CC 820429023 UGCPERCNAAVBBL-SRVKXCTJSA-N 236.359 2.617 30 20 BFED CC(C)Cc1ccc(C(=O)N2CC(C#N)C2)s1 820507804 WALZNMYIECJZKH-UHFFFAOYSA-N 248.351 2.542 30 20 BFED C#CCC(C)(C)C(=O)OC[C@H](C)c1ccccn1 821514146 OCDHIVKKYCEZBN-LBPRGKRZSA-N 245.322 2.778 30 20 BFED CCC[C@H](CC)C(=O)N(C1CC1)[C@H](C)C#N 824460351 ZSASRJBLRAWTFN-MNOVXSKESA-N 222.332 2.716 30 20 BFED C=CCCCCC[C@H](C)N[C@H](C)CC(=O)NC 825068361 OAXGHGHBMAXOHQ-QWHCGFSZSA-N 240.391 2.626 30 20 BFED C#Cc1cnc(N[C@@H]2CCCc3ccccc32)nc1 827270343 XJXURUBNUUTZPS-OAHLLOKOSA-N 249.317 2.947 30 20 BFED CC[C@@H](C)CC=NN=c1cc[nH]cc1Cl 834962145 VHHJJKPIMWFBOA-SECBINFHSA-N 225.723 2.991 30 20 BFED Cc1cnccc1C=NNCC1(C)CCCC1 834981559 SHMSRVPISNIWIM-UHFFFAOYSA-N 231.343 2.894 30 20 BFED CC[C@H](C)C(C)=NNc1ccc(C(=O)O)nc1 835006202 BAZQXQOPTYLHAJ-QMMMGPOBSA-N 235.287 2.614 30 20 BFED C#CCCCCCOC(=O)c1cccc(CC)n1 835277224 HMBRVQMHRXVFHC-UHFFFAOYSA-N 245.322 2.994 30 20 BFED N#Cc1cc(C(=O)O[C@H](C2CCC2)C2CC2)c[nH]1 836047933 REMHCUAMSDGZBW-CYBMUJFWSA-N 244.294 2.622 30 20 BFED C=C(CC)CNC(=O)[C@@H](F)Cc1ccccc1 837099619 WHWQEXNFSZZFTD-ZDUSSCGKSA-N 235.302 2.650 30 20 BFED C=CC(C)(C)C(=O)OCCCCCF 837861407 ASMNUVXDRABWQL-UHFFFAOYSA-N 202.269 2.882 30 20 BFED C=C(C)COC(=O)c1ccc(C(F)(F)F)[nH]1 838061170 XNWGFTHWVUCZBP-UHFFFAOYSA-N 233.189 2.766 30 20 BFED C[C@]1(NC(=O)C#Cc2ccccc2)CC=CCC1 838315451 UOXUOFKUWUIOSQ-INIZCTEOSA-N 239.318 2.653 30 20 BFED Cc1cc(C)cc(COC(=O)C#CC2CC2)c1 838367956 WPKPRBVZTAEQMQ-UHFFFAOYSA-N 228.291 2.760 30 20 BFED C=CCONC(=O)N(C)C1CCC(CC)CC1 838708153 ZBQPMEUUUPAQEN-UHFFFAOYSA-N 240.347 2.714 30 20 BFED CC(=NNc1ccccc1)c1cc2n(n1)CCC2 841603471 IDHBBIJYVKLTOE-UHFFFAOYSA-N 240.310 2.665 30 20 BFED C#CC1CCN(C(=O)C(C)(CC)CC)CC1 843705749 PERGAZDHURSUPV-UHFFFAOYSA-N 221.344 2.685 30 20 BFED C#C[C@@H](C)NC(=O)[C@H](C)c1ccc(Cl)cc1 844563117 WGEGEZYTWRYWQO-NXEZZACHSA-N 235.714 2.581 30 20 BFED C=C(C)CON=C1CCO[C@H](C(C)C)C1 844618195 LEUYPBSOSQPSAD-LBPRGKRZSA-N 211.305 2.770 30 20 BFED C=C(C)CON=Cc1cccc(OC)c1F 844618666 ZZSVNVCWNAZVEW-UHFFFAOYSA-N 223.247 2.761 30 20 BFED C=C[C@@H](C)ON=Cc1cn(C)nc1C(C)(C)C 844622017 SAAOPWIIKXWBKR-SNVBAGLBSA-N 235.331 2.643 30 20 BFED C=C[C@H](C)ONC(=O)[C@H]1CCCCC1(C)C 846555959 VZXRRGFREWRJLC-WDEREUQCSA-N 225.332 2.825 30 20 BFED C[C@@H](O)c1cc(NCC2(CC#N)CC2)ccc1F 849316527 GASPGHPDBAJHHI-SNVBAGLBSA-N 248.301 2.985 30 20 BFED C=CCCOC(=O)[C@@H]1CCNc2cc(F)ccc21 849834906 MJOIOHJCBSWYKH-GFCCVEGCSA-N 249.285 2.844 30 20 BFED C#Cc1cccnc1N1CCC[C@@H](C)CC1 853237246 PDFHXBYRLPFGNY-GFCCVEGCSA-N 214.312 2.689 30 20 BFED C#Cc1cccnc1N[C@H]1CCC(F)(F)C1 853448347 MMUJXFSZEDEGPS-JTQLQIEISA-N 222.238 2.663 30 20 BFED C#Cc1cccnc1NCCCC(C)(C)COC 853626468 XBIPKMKAMRBWFV-UHFFFAOYSA-N 246.354 2.928 30 20 BFED CC1(CON=Cc2ccc([N+](=O)[O-])o2)CCC1 853642079 FTKUMHKNABKUJG-UHFFFAOYSA-N 238.243 2.729 30 20 BFED C#CCC1(C(=O)N[C@@H]2C=CCC2)CCCCC1 855431069 QQLBISPTQPLKIV-CYBMUJFWSA-N 231.339 2.795 30 20 BFED C#C[C@@H](OC(=O)CCCOC)c1ccc(C)cc1 860965196 FHBGVFHQTMCSSL-CQSZACIVSA-N 246.306 2.639 30 20 BFED C#CCN(CCC(C)(C)SC)C1CC1 877371815 OVJVKOAAFZAREF-UHFFFAOYSA-N 211.374 2.616 30 20 BFED C#C[C@H](C)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 877513884 FSKSNTZDXQBGKB-YNEHKIRRSA-N 235.371 2.724 30 20 BFED C=CCOC(=O)[C@H]1C[C@@H](C)Nc2ccccc21 884634984 FTUUWRGNEOGHDR-PWSUYJOCSA-N 231.295 2.704 30 20 BFED Cc1cc(C#N)nc(NCCOC2CCCC2)c1 891898284 FJGMUAVSZAQVSQ-UHFFFAOYSA-N 245.326 2.633 30 20 BFED CC(C)(CCC#N)CN1CC(C(F)(F)F)C1 894892230 MSRHXGGTQDLPJP-UHFFFAOYSA-N 234.265 2.810 30 20 BFED CC#CCN(C)Cc1ccc2nc(C)ccc2c1 897167707 PMCBRGMFXWVVEY-UHFFFAOYSA-N 238.334 2.998 30 20 BFED C=C1CN(C(=O)C[C@H](C)c2ccccc2OC)C1 898694212 AXIDOMSFUCFVTI-LBPRGKRZSA-N 245.322 2.587 30 20 BFED C=C1CN(C(=O)C2(Cc3ccccc3)CCC2)C1 898698959 VFJHMVOWYSZDCS-UHFFFAOYSA-N 241.334 2.798 30 20 BFED C/C(Cl)=C\C(=O)N[C@@H](C#N)C1CCCCC1 900950446 BHHSRLLBVFSSLD-DJYGCBNOSA-N 240.734 2.718 30 20 BFED CC[C@@H](NCC1(C#N)CCC1)c1ccncc1 903034687 AWCLEZZIELCOBO-CYBMUJFWSA-N 229.327 2.816 30 20 BFED C[C@H]1CCC[C@H](NC(=O)c2ccsc2C#N)C1 905962034 HAHCJSVWCRNQGH-UWVGGRQHSA-N 248.351 2.928 30 20 BFED CC(C)[C@@H]1N(c2ccnc(C#N)c2)CC1(C)C 912168760 LWEPCRWEOLSOTH-ZDUSSCGKSA-N 229.327 2.824 30 20 BFED C=C(C)CNC(=S)N[C@H](C)CCC(C)C 916117446 GEGQSDXNFIBKJV-LLVKDONJSA-N 228.405 2.851 30 20 BFED C#CCCN(C)Cc1c(C)cccc1C 933764009 LJRKGGVJQRNBRA-UHFFFAOYSA-N 201.313 2.759 30 20 BFED COc1ccc(C(=O)OCC(C)(C)C#N)cc1C 1122799716 GZHPTEFIPHPJJW-UHFFFAOYSA-N 247.294 2.710 30 20 BFED CNc1ccccc1CN1CCC(C)(C#N)CC1 1232672240 CORCKDOXRYKUBQ-UHFFFAOYSA-N 243.354 2.854 30 20 BFED C=CCCOC(=O)[C@H](C)OC1CCCCC1 1322175848 YMBDWFGUDCDNQR-NSHDSACASA-N 226.316 2.844 30 20 BFED C=C(C)CCC(=O)OCc1cnc(C2CC2)o1 1338212747 PAKZKEUMMXXVRT-UHFFFAOYSA-N 235.283 2.952 30 20 BFED CC(C)[C@H]1CCN1C(=O)c1ccc(C#N)cc1F 1338935670 AVQLWKYELUBXBH-CYBMUJFWSA-N 246.285 2.568 30 20 BFED C#C[C@H](C)OC(=O)C12CCC(CC1)CC2 1342753064 SNSSPDZHCHERKS-ZBOXLXRLSA-N 206.285 2.522 30 20 BFED C=C(C)CCC(=O)OCC1(O)CCCCC1 1349097533 FYEARVFVPKWMJD-UHFFFAOYSA-N 226.316 2.581 30 20 BFED CCC(CC)NC(=O)[C@@H](CC#N)c1ccccc1 1351640737 XQUNVYYRGKIYGZ-AWEZNQCLSA-N 244.338 2.989 30 20 BFED CCC[C@H]1CCCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 1353739204 OITHPMLTAZNHNR-XQQFMLRXSA-N 249.358 2.653 30 20 BFED C=C(C)CCC(=O)OCc1csc(C)n1 1354182498 FXPQKDJCESEQBH-UHFFFAOYSA-N 225.313 2.851 30 20 BFED C#CC[C@@H](C)OC(=O)[C@@H]1CCc2cc(F)ccc21 1516860134 NTABAYCNSUFWMR-QMTHXVAHSA-N 246.281 2.811 30 20 BFED N#C[C@H](C(=O)CCF)c1nc(C2CC2)cs1 1525456860 CVCWNPIHVYNQIU-MRVPVSSYSA-N 238.287 2.556 30 20 BFED O=C(O)/C=C/c1ccc(C=NOCCC2CC2)o1 1608658818 FCUUJSJRFYREQF-OOLRQUSPSA-N 249.266 2.528 30 20 BFED O=C(O)/C=C\c1ccc(C=NOCC2CCC2)o1 1776093137 AQFPDKUZCSMUHQ-NGIGJIJDSA-N 249.266 2.528 30 20 BFED CC(C)CCN(C)c1nc2c(cc1C#N)CCC2 42253072 DBHUXUXHBVGVPY-UHFFFAOYSA-N 243.354 2.924 30 20 BFED Cc1ccc(C#N)c(N(C)CCC(C)C)n1 43399396 PXHDMAWBGLZOLN-UHFFFAOYSA-N 217.316 2.744 30 20 BFED N#CCCN(Cc1ccco1)Cc1ccco1 53137900 IEMKHBKRNBDZAW-UHFFFAOYSA-N 230.267 2.788 30 20 BFED C=CCNC(=O)C1(c2ccc(Cl)cc2)CC1 60620525 OBZKIKZXHDZPDT-UHFFFAOYSA-N 235.714 2.674 30 20 BFED C[C@@H](Cc1ccc(F)cc1)NCCCC#N 62052922 OUXMQYDGPFVUTH-NSHDSACASA-N 220.291 2.650 30 20 BFED CC[C@H](C#N)C(=O)N1CCC2(CCCC2)CC1 62959376 XCJGOFJGLYRAJH-GFCCVEGCSA-N 234.343 2.719 30 20 BFED C#CCN(CCCC#N)C1CCCCC1 65960579 ADVUSHNDWRRNJO-UHFFFAOYSA-N 204.317 2.558 30 20 BFED CC(C)CCN(c1ncccc1C#N)C1CC1 67902406 YFZRZOKJGFKOJS-UHFFFAOYSA-N 229.327 2.968 30 20 BFED CCN(CCCCCn1cccn1)C[C@@H](C)C#N 68458575 CKEFHTKGZXMESQ-AWEZNQCLSA-N 248.374 2.535 30 20 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30 20 BFED Cc1cccc([C@@H](C)C(=O)NCCCCC#N)c1 351698491 AXLHJGCRLKFZSO-CYBMUJFWSA-N 244.338 2.909 30 20 BFED C=CCCO[C@H](C)C(=O)N[C@H](CC)C(C)(C)C 357213890 SWKCTMWHNIEDFS-VXGBXAGGSA-N 241.375 2.909 30 20 BFED N#C[C@@H]1CCC[C@@H](N[C@H]2CCOC3(CCC3)C2)C1 361432254 KUUYPOQMHYDWEU-MCIONIFRSA-N 248.370 2.760 30 20 BFED N#CC1(CN(CC2CCC2)CC2CC2)CC1 361571522 LYWQICLPCGMNCT-UHFFFAOYSA-N 218.344 2.802 30 20 BFED C=C[C@H](C)NC(=O)CO[C@@H]1CCCC[C@@H]1CC 361668397 VXIWOSCZTLCNPB-RWMBFGLXSA-N 239.359 2.663 30 20 BFED C=C[C@H](C)NC(=O)NCc1coc2ccccc12 362378197 CKERYHAOASBGGG-JTQLQIEISA-N 244.294 2.807 30 20 BFED C#C[C@@](C)(CC)NCc1cnn(C(C)(C)C)c1 384180844 PZQGGAUGTXIWKX-AWEZNQCLSA-N 233.359 2.530 30 20 BFED C=CC[C@H](CC)NCc1ccc(CO)cc1 393830831 LVDWTINQLGDULT-AWEZNQCLSA-N 219.328 2.623 30 20 BFED CC(C)[C@@]1(C)C[C@H]1Nc1ccc(C#N)nc1 397126780 CBZSKCYLBGJYOZ-CHWSQXEVSA-N 215.300 2.800 30 20 BFED CC1(C)CC[C@H](CN2CCC[C@@H](CC#N)C2)O1 397732520 WWPFBPXHGRAMIG-QWHCGFSZSA-N 236.359 2.570 30 20 BFED 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30 20 BFED CC[C@@H](C#N)C(=O)N[C@@H](CC)c1ccccc1 51628698 AOMMCDRWZGAZFY-AAEUAGOBSA-N 230.311 2.804 30 20 BFED CC[C@@](C)(C#N)NC(=O)CCc1ccccc1C 51967813 PUMNYYFOUNDJDN-HNNXBMFYSA-N 244.338 2.736 30 20 BFED C[C@@H](C#N)CNC(=O)c1cc2c(s1)CCCC2 54157240 BUHREHBEMKSHSR-VIFPVBQESA-N 248.351 2.516 30 20 BFED C=C(Cl)COc1cccc([N+](=O)[O-])c1 58857240 YFWPDMFYUFJZPE-UHFFFAOYSA-N 213.620 2.726 30 20 BFED CC[C@@H](C#N)C(=O)N1CCC(CC)(CC)CC1 62959332 XOSADZGULIBJOU-LBPRGKRZSA-N 236.359 2.965 30 20 BFED Cc1cc(C(=O)N(CCC#N)C(C)C)ccc1F 63056459 PHEVLOUVHRIUNT-UHFFFAOYSA-N 248.301 2.898 30 20 BFED C=CCN(CCCc1ccccc1)CCC(=O)O 71739256 LCRCCZOTZWITGG-UHFFFAOYSA-N 247.338 2.582 30 20 BFED CCOc1cc(C#N)ccc1OC(=O)[C@H](C)CC 73445076 KYEXIOOUSBOVKM-SNVBAGLBSA-N 247.294 2.908 30 20 BFED CN(CCC#N)[C@@H]1CCCc2ccccc21 78316220 QJIBEKKOHHETMU-CQSZACIVSA-N 214.312 2.909 30 20 BFED C[C@@H](C#N)CN(C)CCSc1ccccc1 79618615 IJGLMNBXKKFMID-LBPRGKRZSA-N 234.368 2.870 30 20 BFED C[C@@H](Cc1ccsc1)NCC1(CC#N)CC1 83853969 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C=CC[C@H](C)[C@@H](C)NC[C@H]1CCN(C(C)C)C1 554883054 TYLGLPYNFDKUBT-RRFJBIMHSA-N 238.419 2.907 30 20 BFED CN(Cc1ccc(C#N)cn1)[C@H]1CCC(C)(C)C1 570461853 WXIZMBWDSUHLAT-AWEZNQCLSA-N 243.354 2.964 30 20 BFED N#Cc1ccc(Cl)cc1Oc1cccnn1 572187491 VZIAWGFXASOZDD-UHFFFAOYSA-N 231.642 2.794 30 20 BFED C=C(C)CCNC[C@H](O)[C@H](C)c1ccccc1 572236592 OZOJCVCEVIEHMM-HIFRSBDPSA-N 233.355 2.707 30 20 BFED CC#CCCN(C)Cc1cc(C(C)(C)C)n[nH]1 576100585 QZCPZPIKSMUCJK-UHFFFAOYSA-N 233.359 2.552 30 20 BFED N#CC1(COc2ccc3nccnc3c2)CCC1 581657123 BWZSUGYLIQRILQ-UHFFFAOYSA-N 239.278 2.702 30 20 BFED C[C@@H]1CCCN(C(=O)CCCCCC#N)C1 588147773 NKFCXIXNOUDFEX-GFCCVEGCSA-N 222.332 2.719 30 20 BFED Cc1ccc(CCNC(=O)CCCCCC#N)o1 588150421 OVYITOZJIBPIJW-UHFFFAOYSA-N 248.326 2.721 30 20 BFED C[C@H](C(=O)N1CCC[C@](C)(C#N)C1)C1CCC1 590909906 RHPYTMSFTHPCPO-SMDDNHRTSA-N 234.343 2.575 30 20 BFED C=C(C)c1ccc(OCC(=O)OCC)c(F)c1 592988513 FJAQNRRFTCURFX-UHFFFAOYSA-N 238.258 2.801 30 20 BFED Cc1cnc(CCN[C@@H]2CC[C@@H](C#N)C2)c(C)c1 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CCCCNN=C(CC)c1c(C)nn(C)c1C 741839706 NZWDLUKCEATKTK-UHFFFAOYSA-N 236.363 2.541 30 20 BFED CC(C)(C)C=NNc1ccc(C(F)(F)F)nn1 755815748 KAGJQASGSWLLDX-UHFFFAOYSA-N 246.236 2.939 30 20 BFED C=CCN(C(=O)N[C@H](C)C1CCC1)C(C)C 756733769 LRQGUNFBZBGAIU-LLVKDONJSA-N 224.348 2.781 30 20 BFED C=CCCCC(=O)N(OC)C1CCCC1 757636448 BFFLBOBNXGCTCV-UHFFFAOYSA-N 211.305 2.675 30 20 BFED CC(C)CN(CCC#N)C(=O)[C@H]1CC12CCC2 759762623 UZHVCWNYSAPWJN-GFCCVEGCSA-N 234.343 2.575 30 20 BFED CC(=NOCC(F)(F)F)c1cnc(C)s1 761266519 IHNNNOZKPILMTG-UHFFFAOYSA-N 238.234 2.754 30 20 BFED CC[C@@H](C#N)OC(=O)c1cccc(C(C)C)n1 762105699 KVJJPSLJQXJIPH-JTQLQIEISA-N 232.283 2.664 30 20 BFED C(=NNc1ccccn1)[C@H]1C[C@H]2CC[C@H]1C2 762416772 AYUMCRLDQPSGCK-SDDRHHMPSA-N 215.300 2.916 30 20 BFED CC(=NNc1ccccc1Cl)c1ccnn1C 765992135 HLKVPNISORQFRH-UHFFFAOYSA-N 248.717 2.910 30 20 BFED CC#CCCCc1nc(-c2cccc(N)c2)no1 767425363 GGIGGMDLCQKCMJ-UHFFFAOYSA-N 241.294 2.665 30 20 BFED CC/C=C\CCOC(=O)C1(C#N)CC(C)C1 767577502 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C#Cc1cccc(NC(=O)C2(SC)CC2)c1 788672653 DFUTXIRMTWAVDM-UHFFFAOYSA-N 231.320 2.502 30 20 BFED C#CCCOC(=O)c1ccc(C)c(Cl)c1F 789071519 GBDLMIGOXDKAPJ-UHFFFAOYSA-N 240.661 2.968 30 20 BFED Cc1ccc(C=NNCCc2ccccn2)s1 789096711 HITWFTIUCUQYKH-UHFFFAOYSA-N 245.351 2.618 30 20 BFED c1ccc(CCNN=C2CCC23CCC3)nc1 789102959 KLVXFSYGKNPWFM-UHFFFAOYSA-N 229.327 2.534 30 20 BFED C#C[C@H](CCC)NC(=O)[C@H](C)C(CC)CC 791197897 VPCKHKCTOWAYQB-DGCLKSJQSA-N 223.360 2.977 30 20 BFED C#C[C@@H](CCC)NC(=O)Cc1ccccc1CC 791201608 IHSMRENZZUVZOT-HNNXBMFYSA-N 243.350 2.710 30 20 BFED CC[C@H](C)CC(=O)[C@H](C#N)c1cc(C)nc(C)n1 791772873 ZVSUDBRCEIRNEU-JOYOIKCWSA-N 245.326 2.706 30 20 BFED CC[C@H](C)CON=Cc1cccc(F)c1O 793159347 NZRAVDXERJFIBD-VIFPVBQESA-N 225.263 2.928 30 20 BFED CC[C@@H](C)CON=C(C)C[C@@H]1CCOC1 793161066 ZRMMASCVRCLLRV-PWSUYJOCSA-N 213.321 2.852 30 20 BFED CC1(C)CCC[C@@H]1OC(=O)c1ccc(C#N)cn1 799487459 PNJKFFZHJSTKID-LBPRGKRZSA-N 244.294 2.689 30 20 BFED C[C@H](C#N)OCCN(C1CCCCC1)C1CC1 801915349 QKMDKMCYVJRPDA-GFCCVEGCSA-N 236.359 2.712 30 20 BFED C=CCOc1ccc(CNC(=O)C=C(C)C)cc1 803376364 CEEHUSSFEWDYBE-UHFFFAOYSA-N 245.322 2.834 30 20 BFED CC[C@H]1CCC1=NNc1nc(C)cc(C)n1 807941317 WHROUBQOLIBKPZ-JTQLQIEISA-N 218.304 2.681 30 20 BFED Cc1cc([N+](=O)[O-])ccc1NN=Cc1ccco1 807989462 ISEONMYDARTONW-UHFFFAOYSA-N 245.238 2.942 30 20 BFED C#Cc1ccc(CN[C@@H](C)c2ccccn2)cc1 809425030 RJOHUDFPOITZNC-ZDUSSCGKSA-N 236.318 2.914 30 20 BFED C#CCON=C(C)c1ccc(F)cc1Cl 812233336 PPNQBNSUXKKKMO-UHFFFAOYSA-N 225.650 2.853 30 20 BFED C[C@@H](C=NNC(=S)N(C)C)C1CCCCC1 814844850 RSJYBAGQTUSMQU-JTQLQIEISA-N 241.404 2.625 30 20 BFED Cc1cc2c(cc1C)C(=NNCC(C)C)CO2 814892021 GLOWMDWVJHHYBY-UHFFFAOYSA-N 232.327 2.646 30 20 BFED CSC(C)(C)CC=NNc1ncncc1F 814940478 ZHEQQXXZDNHKFK-UHFFFAOYSA-N 242.323 2.545 30 20 BFED Cc1c(F)cccc1C(=O)O[C@@H](C#N)C(C)C 817715343 QNRVSZMJCDKIRT-LBPRGKRZSA-N 235.258 2.839 30 20 BFED C=C[C@H](CC)CC(=O)N(CC(C)=O)CC(C)C 822988256 AYIJPXIDKIECNV-CYBMUJFWSA-N 239.359 2.662 30 20 BFED CN(C(=O)C#Cc1cccs1)C1CCCCC1 824226968 JSIHRUXXYOGYSX-UHFFFAOYSA-N 247.363 2.891 30 20 BFED CC(C)C#CC(=O)N1CC[C@H](CC(C)C)C1 829393833 KRGCHBJRDIVAFK-CYBMUJFWSA-N 221.344 2.540 30 20 BFED CCC(CC)NN=C(C)[C@@H]1C[C@H]2CC[C@H]1O2 834959792 RUKOMWDXSBINOC-FRRDWIJNSA-N 224.348 2.708 30 20 BFED C[C@H]1CC[C@@H](C)CC1=NN=c1cc[nH]cc1 834973142 JEKJSMKRKRIJNS-MNOVXSKESA-N 217.316 2.728 30 20 BFED CC[C@H](O)CNN=C(C)[C@H]1CCCC[C@@H]1C 834980707 SUVSQELKHHZDHA-DRZSPHRISA-N 226.364 2.549 30 20 BFED CCN(CC)c1ncc(C=NOC(C)C)s1 835004361 MZXDRAKJSLMGJY-UHFFFAOYSA-N 241.360 2.748 30 20 BFED C=CCON=C1CCc2cc(OC)c(OC)cc21 835013304 QHFIKKFHFOBVOS-UHFFFAOYSA-N 247.294 2.557 30 20 BFED C#CCO[C@H](C)C(=O)O[C@H]1CCCC[C@H]1CC 835098014 FQYLHSGRMGKPCV-UPJWGTAASA-N 238.327 2.537 30 20 BFED CC1(C)CC=C(C(=O)O[C@H](C#N)C2CC2)CC1 835197358 XWRXSTFXUGDWTA-GFCCVEGCSA-N 233.311 2.968 30 20 BFED Cc1csc(C(=O)OC2(C#N)CCC2)c1 835210883 BCSBKVMCTGJNAM-UHFFFAOYSA-N 221.281 2.660 30 20 BFED C=C(Cl)CNC(=O)NC[C@@H]1CCC[C@@H]1CC 836310390 AJDXQKDHEZTJKC-QWRGUYRKSA-N 244.766 2.864 30 20 BFED CCn1nc(C)c(NC(=O)C#CC(C)(C)C)c1C 837439995 JDBYDGMDHVMCPM-UHFFFAOYSA-N 247.342 2.508 30 20 BFED CC(C(=O)NCC(C)(C)CC#N)=C1CCCC1 837889636 XWLKGMVDUJFJOP-UHFFFAOYSA-N 234.343 2.933 30 20 BFED C#C[C@@H](NC1CC2(CCC2)C1)C(C)(C)C 839103508 DKZUHQNOUXFMOB-GFCCVEGCSA-N 205.345 2.957 30 20 BFED O=C(NO)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 839495925 DSGSPKFIWQTBOA-NKWVEPMBSA-N 246.093 2.602 30 20 BFED C#CC(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 840511118 VKBGOXGQHWQCCN-AAEUAGOBSA-N 247.725 2.726 30 20 BFED CCCON=C1CC[C@@H](C(=O)OCC)[C@@H](C)C1 842554099 NKZFSFPXCPARPR-CMPLNLGQSA-N 241.331 2.768 30 20 BFED CCCON=C1CCCc2nc(C)sc21 842558342 WYSQQRBRJGMSOW-UHFFFAOYSA-N 224.329 2.919 30 20 BFED CCCON=C(C)c1cc(F)ccc1O 842566208 WQXQLMSPDHCQRH-UHFFFAOYSA-N 211.236 2.682 30 20 BFED C=C[C@H](C)ON=C(C)c1ccc(OC)cc1O 844623278 LEIPGOMLYZXJLG-VIFPVBQESA-N 235.283 2.716 30 20 BFED CC[C@@H](C#N)C(=O)N1CCCc2cc(F)ccc21 845230045 ZFLIHQTWNRXPAO-JTQLQIEISA-N 246.285 2.655 30 20 BFED C=C[C@@H](C)ONC(=O)CCCc1ccccc1 846548384 DMLVGPIGCXRUAI-GFCCVEGCSA-N 233.311 2.632 30 20 BFED CCN(C(=O)C#CC(C)(C)C)[C@@H](C)C(C)C 848100591 QOXQOOBLWKUTGH-LBPRGKRZSA-N 223.360 2.929 30 20 BFED C=CCCC(C)(C)NCc1ccc(C)nn1 850417356 UARQVKPMTRMMSP-UHFFFAOYSA-N 219.332 2.619 30 20 BFED C[C@@H](C#N)N(CCOc1cccc(F)c1)C1CC1 852480458 QMZRWFSOXUMPHU-NSHDSACASA-N 248.301 2.581 30 20 BFED CC[C@@H]1COCC1=NN[C@H](C)c1ccccc1 853293669 NQJNMDKPRHZIBG-VXGBXAGGSA-N 232.327 2.750 30 20 BFED CN(C)[C@H]1CCCC(=NOCC2CCC2)C1 853440612 FZTZFXCUQKEXGV-ZDUSSCGKSA-N 224.348 2.663 30 20 BFED CC(C)N1CCCC[C@H]1CON=CC1CC1 853736379 ZBDYDWLMKIDHSF-ZDUSSCGKSA-N 224.348 2.662 30 20 BFED CC(C)c1nccc(N2CCC[C@@H](CC#N)C2)n1 853760353 DGCJPKHXNGVHAX-LBPRGKRZSA-N 244.342 2.730 30 20 BFED C=CCCONC(=O)Cc1ccc(Cl)cc1 856027941 HAMYYXFTVQRKEX-UHFFFAOYSA-N 239.702 2.506 30 20 BFED C=CCCONC(=O)C(C)(C)c1ccc(C)cc1 856031495 RCLJXXAVIYQTJU-UHFFFAOYSA-N 247.338 2.897 30 20 BFED CCCCCCCNC(=O)N[C@@H](C)CCOC 858113384 SBLMJMIYUJBFSJ-LBPRGKRZSA-N 244.379 2.681 30 20 BFED C#CC[C@H](CCOC)N[C@H]1CC[C@H]1C1CCC1 862549337 ZUSDIGSGAXGROQ-ILXRZTDVSA-N 235.371 2.583 30 20 BFED CC(=Nn1cnnc1)c1cccc(C(C)C)c1 863063581 UTLVFEOPCBQOLZ-UHFFFAOYSA-N 228.299 2.674 30 20 BFED N#C[C@H](Cc1ccccc1)SC1=NCCS1 864237594 WNCUMQHWWFJCRI-NSHDSACASA-N 248.376 2.957 30 20 BFED C[C@@H]1OCC[C@H]1CON=Cc1ccc(F)cc1 871721239 MALASLJGLKFVDE-JQWIXIFHSA-N 237.274 2.601 30 20 BFED C=CCCc1noc(C2(C)CC(F)(F)C2)n1 871848221 FPMBXIZQTCMRIC-UHFFFAOYSA-N 228.242 2.875 30 20 BFED C[C@@H](C#N)Cn1nc(C(F)F)cc1C1CC1 871944942 UNGAUYOLMFFWTF-ZETCQYMHSA-N 225.242 2.858 30 20 BFED N#Cc1cccc2[nH]cc(C=NOC3CCC3)c12 872376629 OJHKGRGMPWEOGA-UHFFFAOYSA-N 239.278 2.943 30 20 BFED Cc1ccccc1[C@H](O)CNC[C@@H](C)CCC#N 877027861 RSAPNTJQOYLMOC-SWLSCSKDSA-N 246.354 2.558 30 20 BFED C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1O 877755607 HWFNLFOPRTYKRL-UTUOFQBUSA-N 230.311 2.735 30 20 BFED C=CC(C)(C)CC(=O)NCC1=CCCC1 880743781 WKTUNCJVOKALHZ-UHFFFAOYSA-N 207.317 2.815 30 20 BFED Cc1ccc(NC[C@@H]2CCCS2)c(C#N)n1 882080520 PDDRLNVEKRJTLW-JTQLQIEISA-N 233.340 2.569 30 20 BFED C=C1CCC(C(=O)OC[C@@H](CC)OC)CC1 885650036 SFSZDYMARRBSTF-GFCCVEGCSA-N 226.316 2.701 30 20 BFED C=C1CCC(C(=O)NC[C@@H](OC)C(C)C)CC1 889308709 WHIQPVXPTVZKTA-CYBMUJFWSA-N 239.359 2.520 30 20 BFED C#C[C@@H](CCC)NC(=O)C1CCC(=C)CC1 891460551 PTCSETVLEBAWTG-ZDUSSCGKSA-N 219.328 2.651 30 20 BFED C=C1CCN(Cc2c(Cl)c(C)nn2C)CC1 891943408 QXWSQVZSVNBPCQ-UHFFFAOYSA-N 239.750 2.534 30 20 BFED Cc1cc(C#N)nc(N2CCCC[C@@H](C)C2)c1 893244905 CBHLVMZPIKXLBY-LLVKDONJSA-N 229.327 2.888 30 20 BFED C=CC1(OC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 893359016 LKZDVFNWVIPSJD-WDEREUQCSA-N 206.285 2.684 30 20 BFED FC(F)CON=Cc1ccc2c(c1)CCCO2 901220155 LMGUYGATOJAAFO-UHFFFAOYSA-N 241.237 2.627 30 20 BFED C=C(C)CCNc1nn(C)c2ccccc12 901506622 MDFJTXAIIBOSFL-UHFFFAOYSA-N 215.300 2.951 30 20 BFED CC(=O)C(C)=NOCc1cc(C)cc(C)c1 902759793 AHLVZMPNYCHPCH-UHFFFAOYSA-N 219.284 2.785 30 20 BFED CC(=O)C(C)=NOCc1ccc(CF)cc1 902760300 DRIWHVODQZVLJK-UHFFFAOYSA-N 223.247 2.638 30 20 BFED CCCCN(O)C(=O)CCCC1CCOCC1 904213267 MWSZYKWURAXUDA-UHFFFAOYSA-N 243.347 2.601 30 20 BFED CCSc1ccccc1CCNCCC#N 905566393 VANODXRWZCSBHG-UHFFFAOYSA-N 234.368 2.844 30 20 BFED C=C[C@H](CC)CC(=O)OCc1cccnc1OC 905857313 SHYMUTVJTGQRMB-LLVKDONJSA-N 249.310 2.736 30 20 BFED C=C(C)CNC(=S)NCc1cccc(C)c1 911613772 DQJVDPUDDWVXQX-UHFFFAOYSA-N 234.368 2.535 30 20 BFED CCn1cc(N[C@@H](C)CC(C)(C)C#N)cn1 925944314 ZALJTUHLOVECEQ-JTQLQIEISA-N 220.320 2.643 30 20 BFED C=C[C@H](CC)CC(=O)N[C@H](C)Cc1ccco1 930115605 ZHKLGMRPAAWDAA-VXGBXAGGSA-N 235.327 2.929 30 20 BFED C=CC[C@H](C)NC(=O)C1(OC)CCCCCC1 933042301 UNHLLSOKPSKIAK-LBPRGKRZSA-N 239.359 2.807 30 20 BFED CC[C@@H](C#N)C(=O)Nc1cccc2[nH]ccc12 1143360952 BZPKZYZNCVDCTP-VIFPVBQESA-N 227.267 2.656 30 20 BFED C#Cc1ccc(C(=O)N[C@H]2C=CCCC2)cc1 1262155099 BGGATGLFMKJATK-AWEZNQCLSA-N 225.291 2.506 30 20 BFED CC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1nccn1C 1263332010 DXBBHBJHTYHIBC-RYUDHWBXSA-N 247.342 2.669 30 20 BFED C=C[C@H](COC)N[C@@H](C)c1cc(C)ccc1OC 1320302438 JLBXFNFIIZSPTP-QWHCGFSZSA-N 249.354 2.855 30 20 BFED N#CC1(c2nnc(CC(F)(F)F)o2)CCCC1 1322561013 RMJVIYQYGFUEOB-UHFFFAOYSA-N 245.204 2.510 30 20 BFED C#CC[C@H](CCOC)NCc1cc(C)ccc1F 1329174803 ZZAJQHZJCDGYSV-CQSZACIVSA-N 249.329 2.652 30 20 BFED C=C(C)CCN1CCC[C@@](O)(c2ccccc2)C1 1331472059 KKGDRUKRYKBACO-INIZCTEOSA-N 245.366 2.936 30 20 BFED C=C(CC)C(=O)NCc1cccc(OCC)c1 1345622418 BMQZIBQIWADBFG-UHFFFAOYSA-N 233.311 2.668 30 20 BFED C=C(CC)C(=O)Nc1cc2c(cn1)CCCC2 1349868021 UXNPLXPRMGLLQC-UHFFFAOYSA-N 230.311 2.865 30 20 BFED C=C(CC(C)C)C(=O)NCC1(C#N)CCCC1 1349968994 IXGPURNRWCXLMD-UHFFFAOYSA-N 234.343 2.789 30 20 BFED N#CCC(=O)Nc1cnccc1-c1ccccc1 1466856454 UGPAPIZHKCWPSV-UHFFFAOYSA-N 237.262 2.601 30 20 BFED C=C[C@H](Sc1ccc(C#N)c(C)c1)C(=O)O 1588715312 VDONQNJSMBAUMX-NSHDSACASA-N 233.292 2.598 30 20 BFED C=CCCCN1CCC[C@@H]1C(C)(C)C(=O)O 1776174358 LQQMKULYNFPRBK-LLVKDONJSA-N 225.332 2.528 30 20 BFED C=C(Cl)COc1ccc([N+](=O)[O-])cc1C=O 35099648 CVMLYMMHWVINIK-UHFFFAOYSA-N 241.630 2.539 30 20 BFED C[C@H](N[C@H]1CCSC1)c1ccc(C#N)cc1 36991827 LZXJTBWOKCNAFE-GWCFXTLKSA-N 232.352 2.714 30 20 BFED CC(C)CN(C)C(=O)C1(C#N)CCCCC1 44385870 WTWLIGISIKZQNA-UHFFFAOYSA-N 222.332 2.575 30 20 BFED CC[C@@H](C#N)C(=O)NCc1ccc(C(C)C)cc1 45047026 SUAPDPHHMASOTD-ZDUSSCGKSA-N 244.338 2.976 30 20 BFED CC[C@H](C)[C@H](C(=O)NCCC#N)c1ccccc1 48151866 RCORJTXKHWTKAS-JSGCOSHPSA-N 244.338 2.846 30 20 BFED N#Cc1ccc(OCCOC2CCC2)cc1 50520502 GLVBLCSTGQDINJ-UHFFFAOYSA-N 217.268 2.506 30 20 BFED Cc1cccc(NC(=O)c2sccc2C#N)n1 52035509 UKDWEIIRFKERNF-UHFFFAOYSA-N 243.291 2.576 30 20 BFED CCCCCCCCN[C@H](C)COC 59055408 OGPKGHGURXBNFN-GFCCVEGCSA-N 201.354 2.971 30 20 BFED C#Cc1cccc(NC(=O)N[C@H](C)CSC)c1 77186795 OMOBZUUPNQWZOU-SNVBAGLBSA-N 248.351 2.541 30 20 BFED C=CCSc1nccc(C(F)(F)F)n1 78553419 QLZXFOWKPXJAKP-UHFFFAOYSA-N 220.219 2.774 30 20 BFED C[C@H](CCO)CNc1cccc(Cl)c1C#N 85131600 MHAMHLORUMFKOU-SECBINFHSA-N 238.718 2.642 30 20 BFED 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C#CCCOC(=O)CSc1cc(C)ccc1C 727041754 ZFBPBAUHUOAUCX-UHFFFAOYSA-N 248.347 2.962 30 20 BFED CSCCON=Cc1ccccc1C 727470321 QIJFTXHNDOUVKT-UHFFFAOYSA-N 209.314 2.709 30 20 BFED C#Cc1ccc(C(=O)N(CCC)CC(C)C)nc1 728808752 PZDIXLNAOOFOKC-UHFFFAOYSA-N 244.338 2.571 30 20 BFED CC(C)[C@H](C)C(=O)OCc1cccc(C#N)c1 733576602 PJEABNDHRXHBOU-NSHDSACASA-N 231.295 2.894 30 20 BFED CCC/C=C/C(=O)N(CC#N)C1CCCC1 737923070 JTDJNXWLSNGEDU-RUDMXATFSA-N 220.316 2.637 30 20 BFED Cc1cccc(C(=O)O[C@@H](C)C#N)c1Cl 754972940 XFWSQUUKBJZAMQ-QMMMGPOBSA-N 223.659 2.717 30 20 BFED CC#CCCOC(=O)/C=C1\CC[C@H](C)C1 760287343 ILHVSDKYDQHBGK-OCUQMRJBSA-N 206.285 2.689 30 20 BFED CC#CCCOC(=O)c1ccc(C(C)=O)cc1F 760287646 MYBZMJPWTWRNBR-UHFFFAOYSA-N 248.253 2.599 30 20 BFED C=CCN(CC=C)C(=O)C(F)=C1CCCC1 763002966 TUFJCAUPVVOXQI-UHFFFAOYSA-N 223.291 2.985 30 20 BFED CCC(CC)NN=Cc1ccc(OC)s1 763171385 IHNJUBAKVNPBOB-UHFFFAOYSA-N 226.345 2.869 30 20 BFED CC#CCCOC(=O)CSc1ccccc1 765408688 IDUPFMCEGDATDB-UHFFFAOYSA-N 234.320 2.735 30 20 BFED CC#CCCCC(=O)N(CCC#N)CC(C)C 767078454 MVOPUGOJUWOFMF-UHFFFAOYSA-N 234.343 2.578 30 20 BFED C[C@H]1CCC(=NNc2ncc(F)cn2)C[C@@H]1C 767386741 UFRUXXZMLUJGOO-IUCAKERBSA-N 236.294 2.840 30 20 BFED CC(=NOCc1cccnc1)c1cncc(C)c1 767388969 YVVXXOZXJUUQGS-UHFFFAOYSA-N 241.294 2.726 30 20 BFED CC(=NNCC(F)(F)F)c1ccc(C)cc1 769821046 GUXWDHNPNBHGGU-UHFFFAOYSA-N 230.233 2.871 30 20 BFED C=C(C)CNC(=S)N(C)[C@H](CC)CSC 773171556 DUUUBPZVKFAHTQ-SNVBAGLBSA-N 246.445 2.510 30 20 BFED C=CCCC(=O)OCc1ccc(Cl)cn1 778112821 FEOXYNBRQMDHQH-UHFFFAOYSA-N 225.675 2.744 30 20 BFED CC1(C)CC(C/N=C/c2cccc(O)c2O)C1 780146124 FMIITJHKLMPQIF-OQLLNIDSSA-N 233.311 2.953 30 20 BFED c1ccc([C@H]2CCC2=NN[C@@H]2CCCOC2)cc1 780261931 KJOYHRAHXMEFEI-ZIAGYGMSSA-N 244.338 2.689 30 20 BFED CC(=NN[C@@H]1CCCC1(C)C)c1ccccn1 782288977 TVWCNEVZVRLRRN-CYBMUJFWSA-N 231.343 2.974 30 20 BFED C[C@H](OC(=O)CC(C)(C)C#N)c1ccncc1 785087699 YILGKOFXBMOEFF-JTQLQIEISA-N 232.283 2.626 30 20 BFED COC1CCC(=NNC2CCCCC2)CC1 786043004 DZYXWWZQMCBCSD-UHFFFAOYSA-N 224.348 2.854 30 20 BFED C=CCCN(C)CC(=O)N[C@@H](C)CCCCC 786443163 HNEZIUUKESEEBQ-ZDUSSCGKSA-N 240.391 2.579 30 20 BFED CC(=NNc1cccc(F)c1)c1ccnc(O)c1 790288357 ZUOLPHFIDSBXBQ-UHFFFAOYSA-N 245.257 2.762 30 20 BFED C=CCC(CC=C)C(=O)O[C@H](C)c1ccnn1C 791944185 UZCRUUWUHCLABM-LLVKDONJSA-N 248.326 2.793 30 20 BFED N#Cc1cc(C(=O)OC/C=C\Cl)ccc1F 792306697 RINYMXXRNYALEZ-RJRFIUFISA-N 239.633 2.607 30 20 BFED CC#CCCOC(=O)c1occc1C(C)C 792599327 RJEKLUBWMUZEAP-UHFFFAOYSA-N 220.268 2.973 30 20 BFED CC[C@@H](C)CON=CCC(C)(C)OC 793164674 WSTKRXGGTNKXCV-SNVBAGLBSA-N 201.310 2.850 30 20 BFED CC/C=C\CCOC(=O)c1ccc(C#N)o1 796144322 LVUPSCAIHQGCLX-ARJAWSKDSA-N 219.240 2.664 30 20 BFED CC#CCOC(=O)c1cc(C2CC2)cnc1Cl 796171847 KYJGHWCEOIDMKC-UHFFFAOYSA-N 249.697 2.793 30 20 BFED C=CCNC(=O)[C@H](C)SC/C(C)=C/Cl 797813786 MJPFSOPUZLXPES-ORZBULNSSA-N 233.764 2.553 30 20 BFED Cc1cnc([C@H](C)SCCO[C@H](C)C#N)o1 802752326 UFWPLBAICHDCJP-SCZZXKLOSA-N 240.328 2.706 30 20 BFED C=CCCCCCCNC(=O)[C@@](C)(O)C(C)C 805219417 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C#CCN(CCc1c(F)cccc1F)C1CC1 828268547 KGGXIIGBHOQYGZ-UHFFFAOYSA-N 235.277 2.605 30 20 BFED C#CCN1[C@@H](C)[C@@H](c2ccccc2)C[C@H]1C 830439489 GDVHELZNJSLELH-IPYPFGDCSA-N 213.324 2.886 30 20 BFED CCCCCCCN1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 831627057 CCSMTUIOQJBTQU-BYNSBNAKSA-N 235.371 2.842 30 20 BFED C=CCC1(C(=O)NOC/C=C\Cl)CCCC1 832272390 JSYVFKJTCQSBBR-UITAMQMPSA-N 243.734 2.923 30 20 BFED C#CCCCOc1cc(C(=O)O)cc(F)c1C 833362401 PUZOWGYWYPWWOL-UHFFFAOYSA-N 236.242 2.625 30 20 BFED N#CCC1(CN[C@@H]2CCc3cccc(O)c32)CC1 834790362 ONZKVDLJKLCOHD-GFCCVEGCSA-N 242.322 2.663 30 20 BFED CCOCCON=C1C[C@@H](C)CC[C@@H]1C 834969697 PKDYZKNLFJEUIN-QWRGUYRKSA-N 213.321 2.852 30 20 BFED C[C@@H]1CC(=NNCC2(C)CCCC2)c2nccn21 834981699 XBTSRNOAXNVDTA-LLVKDONJSA-N 246.358 2.722 30 20 BFED CCC(=NN[C@H](C)C(F)(F)F)c1ccncc1 834998085 BYLBPCASEGJJMW-MRVPVSSYSA-N 245.248 2.736 30 20 BFED CC(C)(C(=O)OCCCC#N)C1CCC1 835266825 DBFOVWCMRQMFIQ-UHFFFAOYSA-N 209.289 2.660 30 20 BFED C=C[C@](C)(CC)COC(=O)[C@@H]1CC1(F)F 835337982 YIACOOHEFIIEPA-WCBMZHEXSA-N 218.243 2.787 30 20 BFED C=C(CC)COC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 835660353 DKDFNAUQTPYDSK-GRYCIOLGSA-N 208.301 2.932 30 20 BFED CC(C)Cn1cc(NC(=O)C#CC(C)(C)C)cn1 837442715 IGLJULHETKBZFO-UHFFFAOYSA-N 247.342 2.527 30 20 BFED C=CCCCCOC(=O)c1cncc(Cl)n1 837668931 XCCGLKDXJXJCKG-UHFFFAOYSA-N 240.690 2.643 30 20 BFED C=CCCCCCOC(=O)/C=C/[C@H]1CCOC1 838043126 IIZIDUMIJXZUDV-GWJCSSMESA-N 238.327 2.869 30 20 BFED C#CCC[C@H](C)OC(=O)CCC1CCOCC1 839038666 JPMAYQOQCIPEPB-LBPRGKRZSA-N 238.327 2.538 30 20 BFED C#CCC[C@@H](C)OC(=O)[C@](C)(C=C)CCOC 839039301 PRYGAHUQXHLSCF-TZMCWYRMSA-N 238.327 2.560 30 20 BFED C=C(C)CCNC(=S)NC(C1CC1)C1CC1 840793738 XOVGSVRZXNYCLF-UHFFFAOYSA-N 238.400 2.605 30 20 BFED C#CCCNc1cc(OC)cc(OC)c1Cl 841698222 BFKIUOVRUGUNOD-UHFFFAOYSA-N 239.702 2.792 30 20 BFED CC[C@H](C)NN=C1CCC(F)(F)CC1 842531263 IRQMQADUVUVCGB-QMMMGPOBSA-N 204.264 2.940 30 20 BFED CCCON=C(C)c1ccc(C(=O)OC)cc1 842558696 YXHMTJCAIJZBRH-UHFFFAOYSA-N 235.283 2.624 30 20 BFED Oc1ccc(C=NNC2CCCCC2)c(F)c1 844591818 UWNUBIGBTLAYIM-UHFFFAOYSA-N 236.290 2.788 30 20 BFED C=C(C)CON=C(C)c1ccc(C(=O)OC)cc1 844618816 JBPKFMWCDFAWER-UHFFFAOYSA-N 247.294 2.790 30 20 BFED C=C(C)CONC(=O)NC[C@@H]1CCC[C@H](C)C1 845594749 MKUIFYWVECHPOH-NWDGAFQWSA-N 240.347 2.620 30 20 BFED C=C[C@H](C)ONC(=O)CCCCCCC(C)=O 846548326 NLTGDRJHBCJZFC-LBPRGKRZSA-N 241.331 2.538 30 20 BFED C[C@H]1CCCC[C@H]1COC(=O)C(C)(C)C#N 849698381 HIFCMLMHPRXQCL-QWRGUYRKSA-N 223.316 2.906 30 20 BFED C#C[C@H](C)OC(=O)CC[C@H]1CC1(Cl)Cl 850857380 UVOMKUMUARSDAO-YUMQZZPRSA-N 235.110 2.525 30 20 BFED Cc1cc(C(=O)O[C@H](C)CC(C)(C)C#N)ccn1 851205508 GQUKVQJMRHTROL-LLVKDONJSA-N 246.310 2.875 30 20 BFED Cc1cccnc1NN=C[C@H]1CC1(Cl)Cl 853338679 PPJLMQBVKXMSAS-MRVPVSSYSA-N 244.125 2.982 30 20 BFED Cc1nc(C=NN2CCCC[C@H]2C)cs1 853380450 QIJRZCVWZYQRRO-SECBINFHSA-N 223.345 2.660 30 20 BFED CC(C)c1noc([C@H](C)ON=CC2CC2)n1 853735698 YEHGWZGCCOITGK-QMMMGPOBSA-N 223.276 2.666 30 20 BFED C=CCCONC(=O)c1cc(C)c(CC)s1 856029176 CDPJCLPVJHKMEJ-UHFFFAOYSA-N 239.340 2.856 30 20 BFED C=CCCONC(=O)[C@H](CC)c1ccccc1 856030406 YJJYJZOXGOJROG-CYBMUJFWSA-N 233.311 2.804 30 20 BFED C=CC[C@H](C)NC(=O)OCCc1ccccc1 858992019 YPULJDJIZXBRSC-LBPRGKRZSA-N 233.311 2.920 30 20 BFED CCC(C#N)(CC)C(=O)OCC(C)(C)C 860521006 MPJUVLUMLXXLBC-UHFFFAOYSA-N 211.305 2.906 30 20 BFED N#Cc1nc(F)ccc1OC[C@H]1C[C@H]2C=C[C@@H]1C2 863336327 QSGXUFIHUYDBNV-HBNTYKKESA-N 244.269 2.683 30 20 BFED COc1cccc(/C=N\C[C@@H]2C=CCC2)c1O 887268045 APLYVAKWTLDTLO-MKVLZVNKSA-N 231.295 2.786 30 20 BFED CN(C(=O)C1(C#N)CCCC1)c1ccsc1 892546328 CIGODYDRCUDGHE-UHFFFAOYSA-N 234.324 2.795 30 20 BFED C[C@@H]1CCCCN(c2ccc(C#N)cc2CO)C1 893245166 HVLCAXRZTPNRJX-GFCCVEGCSA-N 244.338 2.677 30 20 BFED C=CC1(OC(=O)CCC(F)(F)F)CC1 893362214 ACGVVVGVCGREHI-UHFFFAOYSA-N 208.179 2.591 30 20 BFED CCC#CCOC(=O)C1CC2(CCC2)C1 893844180 YOAHOUMUSNLAAX-UHFFFAOYSA-N 206.285 2.523 30 20 BFED C=C1CN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 898696781 ZNCFZWKDVKWIPW-NXEZZACHSA-N 247.260 2.754 30 20 BFED CO[C@H](C)Sc1cccc(F)c1C#N 901548621 ODIQCURWAWTYBF-ZETCQYMHSA-N 211.261 2.782 30 20 BFED C=CCC[C@@H](NC[C@@H]1CCN1C)c1ccco1 903319028 VRZVTJWJHSPOEJ-QWHCGFSZSA-N 234.343 2.581 30 20 BFED CCCCSCC(=O)N(O)CCCC 904208848 LNXNHONNZVBKAK-UHFFFAOYSA-N 219.350 2.538 30 20 BFED Cc1cc(C=NNc2cncc(Cl)n2)c(C)[nH]1 914557421 SBVYQGDKQFIVMD-UHFFFAOYSA-N 249.705 2.521 30 20 BFED C=CCN(C(=O)/C=C\c1cccnc1)C(C)C 915153509 OGNYJNUUSCNNCX-FPLPWBNLSA-N 230.311 2.518 30 20 BFED C=CCN(C[C@H](O)c1ccccc1F)C(C)C 917069046 FCGIGEIJSCBSCS-AWEZNQCLSA-N 237.318 2.756 30 20 BFED CCCCOC(=O)c1ccsc1C#N 923566841 TUEUFPBRAOXXAA-UHFFFAOYSA-N 209.270 2.577 30 20 BFED C=C[C@H](CC)CC(=O)N1C[C@H](CC)O[C@H](C)C1 932522272 XMCSIRMPGQMSFY-UPJWGTAASA-N 239.359 2.615 30 20 BFED C=C[C@H](C)NC(=O)N[C@@](C)(CC)C(F)(F)F 933527566 PRFKSFMYDJIELG-CBAPKCEASA-N 238.253 2.591 30 20 BFED C[C@@H]1CN(c2cccc(CC#N)n2)[C@@H](C)[C@H]1C 1118034829 ITMCBOMRLUJPPK-WOPDTQHZSA-N 229.327 2.628 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)OCCC(C)C 1118869361 KPFSYCQJSWLMBN-NSHDSACASA-N 226.320 2.651 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)CCC1CCC1 1121161183 PDMZMIJGHCPMGO-LBPRGKRZSA-N 222.332 2.717 30 20 BFED C=C(C)CCC(=O)O[C@H]1CCC[C@H](C#N)C1 1121219592 JRPCTRQNVUBHBV-RYUDHWBXSA-N 221.300 2.968 30 20 BFED C=C[C@@H](CC)CC(=O)OC[C@@H]1CC[C@H](C)O1 1123147109 UVISCSUUKSACBN-SRVKXCTJSA-N 226.316 2.699 30 20 BFED C=C(CC)C(=O)N[C@@H]1C[C@H]1c1ccc(OC)cc1 1123771521 VLSWHVMETUGMIV-UONOGXRCSA-N 245.322 2.634 30 20 BFED C=CCCN(CC)[C@H](C)CNC(=O)CCCC 1151924545 DIPWXUAFVLYIMS-CYBMUJFWSA-N 240.391 2.579 30 20 BFED C=C1CN(C(=O)c2ccc(CC)c(CC)c2)C1 1262149884 OTZYWTNTKWOQRS-UHFFFAOYSA-N 229.323 2.823 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)c1[nH]c(C)nc1C 1262655574 SDUSXZSFRYSZRG-GFCCVEGCSA-N 247.342 2.597 30 20 BFED Oc1cccc(/C=N\[C@@H]2C=CCCC2)c1O 1319151431 QNHMWGGXGUNXOS-RLIURORJSA-N 217.268 2.625 30 20 BFED CC(=NNc1ccccc1F)c1ccnc(C)n1 1320868286 CVZMNNXOFBWIEP-UHFFFAOYSA-N 244.273 2.760 30 20 BFED CC#CCCCC(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 1333975531 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30 20 BFED Cc1ccc([C@H](C)CN=C(N(C)C)N(C)C)cc1 262524361 JZDRZAWUKVUXEK-CYBMUJFWSA-N 247.386 2.578 30 20 BFED CC(C)[C@@]1(C)C[C@@H]1/N=C(\N)N1CCCCCC1 263089252 IRFTWEILCNYYEJ-GXTWGEPZSA-N 237.391 2.612 30 20 BFED CC#CCN1CCc2sccc2[C@@H]1C 266023284 QCRZZFPIZDASGB-JTQLQIEISA-N 205.326 2.691 30 20 BFED C[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1C 267758655 YLODNYDYFAOGLP-RNFRBKRXSA-N 241.747 2.760 30 20 BFED C=CCCCC(=O)N[C@H](C)CC(=O)c1ccco1 269513741 DAQHQODKDPDQHB-LLVKDONJSA-N 249.310 2.713 30 20 BFED C=CC[C@@H](C)NC(=O)NCCSCC(C)C 270275313 UOVGICKDOIURFU-LLVKDONJSA-N 244.404 2.639 30 20 BFED C#CCCCN1CCC[C@H]1c1ccncc1 271038061 SBRMGAYOCJRTEU-AWEZNQCLSA-N 214.312 2.632 30 20 BFED C[C@@H](NC1(c2cccc(C#N)c2)CC1)C1CC1 272198707 ISISNNOQAXJKGK-LLVKDONJSA-N 226.323 2.935 30 20 BFED CCS[C@@H](C)c1noc(CSCC#N)n1 273793493 BBFMLEMTBXBQAO-ZETCQYMHSA-N 243.357 2.640 30 20 BFED CC#CCCSC(=S)N(CC)CC 274088104 PIZLXRZJZOCJFZ-UHFFFAOYSA-N 215.387 2.760 30 20 BFED C=C(Cl)CN[C@@H](C)c1cncc(C)c1 274591849 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2.882 30 20 BFED CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1)C1CC1 293704912 MJTZQKJFEJXJCL-XHDPSFHLSA-N 244.338 2.634 30 20 BFED C=CC(C)(C)C(=O)N1CCc2ccccc2C1 294230050 LYXYYQSBEYDIRP-UHFFFAOYSA-N 229.323 2.784 30 20 BFED Cc1nn([C@@H](C#N)C2CCCCC2)cc1[N+](=O)[O-] 295448637 WGVPVGKSFGDVDN-NSHDSACASA-N 248.286 2.745 30 20 BFED CC#CC(=O)N1[C@@H](C)C[C@@H](CC(F)(F)F)[C@H]1C 296295360 ZEFKBIBRJRJDGL-AEJSXWLSSA-N 247.260 2.588 30 20 BFED C=CCCc1noc(C[C@H](OCC)C(=C)C)n1 297222730 HITHTMPLMGVRMP-NSHDSACASA-N 236.315 2.712 30 20 BFED N#CCCCCNc1sccc1[N+](=O)[O-] 301977184 DFWTWRHJMPPHJE-UHFFFAOYSA-N 225.273 2.762 30 20 BFED CC1CCN(c2c(C#N)cccc2C#N)CC1 302413541 HJZYMKRDUONYGR-UHFFFAOYSA-N 225.295 2.666 30 20 BFED CC(C)CCC[C@H](C)N/C(N)=N/CCC1CC1 304749760 HZLVCGOKRXAZDM-LBPRGKRZSA-N 239.407 2.906 30 20 BFED Cc1cc(C#N)cc(NC(=O)CC(C)(F)F)c1 308213768 YDAHCKWUFRCDHU-UHFFFAOYSA-N 238.237 2.851 30 20 BFED C=CCCCCCCN[C@@H]1CCC[C@H]1CN 309182937 GBXMKRKNRRXLBN-UONOGXRCSA-N 224.392 2.840 30 20 BFED 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GRSUOTBMGHXMMC-UHFFFAOYSA-N 241.294 2.777 30 20 BFED C=CCOCCN(CC1CCC1)CC1CC1 339146981 CDIVAOYVBYEFJJ-UHFFFAOYSA-N 223.360 2.701 30 20 BFED C=CCCN(C)c1cc([N+](=O)[O-])ccc1C(C)=O 340903926 OAHGQJNYLNRXET-UHFFFAOYSA-N 248.282 2.810 30 20 BFED CC(C)CNc1nc2cc(Cl)ccn2c1C#N 341288911 FPUWDCWQIDZXIF-UHFFFAOYSA-N 248.717 2.927 30 20 BFED C[C@@H](CC(=O)N(CC#N)C1CC1)C(C)(C)C 342691982 OKVDRDAAFFRLHH-JTQLQIEISA-N 222.332 2.573 30 20 BFED Cc1ncccc1-c1noc(CC(C)(C)C#N)n1 347544132 SASIJBRLBQLSCU-UHFFFAOYSA-N 242.282 2.532 30 20 BFED C=CCC(C)(C)C(=O)N(C)CC[C@@H]1CCCO1 349300021 JXMDNXUDYJRHLZ-LBPRGKRZSA-N 239.359 2.616 30 20 BFED C=C(C)CCN1CCC[C@]1(C)CCCO 351750900 CIURZCWHKANYIY-CYBMUJFWSA-N 211.349 2.580 30 20 BFED C=CCCCCCN(C)C(=O)[C@H]1CO[C@@H](C)C1 352967735 YKAVVQGSYKXECT-QWHCGFSZSA-N 239.359 2.616 30 20 BFED C=CCC(C)(C)C(=O)NC[C@H]1CCCSC1 354995793 KPFORLALEVTXGH-LLVKDONJSA-N 241.400 2.848 30 20 BFED CO[C@@]1(C)CCCN(CC(C)(C)CCC#N)C1 355226886 VAWURJXNGOUIBX-AWEZNQCLSA-N 238.375 2.817 30 20 BFED C=CCCO[C@@H](C)C(=O)N(CC)C[C@H](C)CC 359642171 RILNSFDGOPSKFQ-OLZOCXBDSA-N 241.375 2.862 30 20 BFED C=C[C@@H](C)NC(=O)N[C@@H](C)c1cccc(OC)c1 362371711 UIKIMULKGHNNCA-MNOVXSKESA-N 248.326 2.630 30 20 BFED C=C[C@@H](C)NC(=O)NCCCC1CCCC1 362372438 ZUPZDEMJRDINLB-LLVKDONJSA-N 224.348 2.831 30 20 BFED CCCC[C@H](NC(=O)[C@H](C)C#N)C1CCC1 362601683 LCGSKHPPZSWNLL-PWSUYJOCSA-N 222.332 2.621 30 20 BFED C[C@H](C#N)OCCSc1ccccc1 379503567 MIZZVFKVKOHPFH-SNVBAGLBSA-N 207.298 2.707 30 20 BFED C=CCCOC(=O)c1cc(F)cc(Cl)c1N 381354425 CKPDRLUYPQPWLM-UHFFFAOYSA-N 243.665 2.794 30 20 BFED C=CCC(C)(C)CN[C@@H](C)C[C@@H]1CCOC1 382155652 RDULQJXCUITRHI-STQMWFEESA-N 225.376 2.993 30 20 BFED C[C@H]1CCCCC[C@@H]1NCC1(C#N)CC1 382440694 TYIIPSZRWJZVGB-RYUDHWBXSA-N 206.333 2.849 30 20 BFED N#CCN(CCC1CCC1)C1CCCC1 398766141 KFKBASMIZQKJIG-UHFFFAOYSA-N 206.333 2.945 30 20 BFED Cc1cccc(CCN2CCC(CC#N)CC2)n1 399795095 SGGNYHHIQPIFJU-UHFFFAOYSA-N 243.354 2.558 30 20 BFED C=CC(C)(C)CNCc1cc(C)ns1 404426390 DHEOXRXRSXMCFG-UHFFFAOYSA-N 210.346 2.753 30 20 BFED Cc1c(CNCC(C)(C)C#N)cccc1[N+](=O)[O-] 405149478 CZBTULKSCYEGON-UHFFFAOYSA-N 247.298 2.543 30 20 BFED CCC[C@H](C#N)N(C)C(=O)[C@@H](CC)CC(F)F 410833112 FYXYJPXSQMYJBD-VHSXEESVSA-N 246.301 2.818 30 20 BFED CCC[C@@H](C#N)N(C)C(=O)[C@H](CC)CC(F)F 410833113 FYXYJPXSQMYJBD-ZJUUUORDSA-N 246.301 2.818 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1F 412678673 ZSDCDIWCFZMEGW-NQBHXWOUSA-N 227.323 2.986 30 20 BFED CCOC(=O)[C@H](CC(C)C)SCCC#N 413009603 DDNPQUAKJIXVFG-JTQLQIEISA-N 229.345 2.611 30 20 BFED C[C@@H]1CN(C(=O)c2cc(C#N)cs2)[C@@H](C)[C@H]1C 416081679 WQABHYPABDNBSL-UTLUCORTSA-N 248.351 2.736 30 20 BFED C[C@@H](O)CCOc1ccc(C#N)c2ccccc12 419055633 OQFFTPMRGUQTRA-LLVKDONJSA-N 241.290 2.861 30 20 BFED CC[C@@H](NC[C@H](N)C(C)C)c1ccc(C#N)cc1 423279834 SPUQQSXJEBXGQH-LSDHHAIUSA-N 245.370 2.582 30 20 BFED C=C(C)C(C)(C)C(=O)Nc1cccc(OC)c1O 424777451 DHJJTTVIIWVRBL-UHFFFAOYSA-N 249.310 2.942 30 20 BFED C=C(C)CNC(=O)CO[C@@H]1CCCC[C@H]1CC 427943003 AOHOCIAPZFJMAK-CHWSQXEVSA-N 239.359 2.664 30 20 BFED C=C(CC)CNC(=O)CCc1ccc(F)cc1 453025768 VDBVFNFCIZSKGC-UHFFFAOYSA-N 235.302 2.841 30 20 BFED Cc1cc(CN2CC[C@](C)(F)C2)ccc1C#N 488121540 FNFSIXOQMCVDQB-AWEZNQCLSA-N 232.302 2.801 30 20 BFED CSc1ccc(C)c(NC(=O)NCCC#N)c1 488570665 DRMFRRXREWZTAP-UHFFFAOYSA-N 249.339 2.752 30 20 BFED C#C[C@H](CC)NC(=O)[C@H]1CCCC[C@@H]1CC 490740329 OJUXYLXNZWFKQC-XQQFMLRXSA-N 221.344 2.731 30 20 BFED C#C[C@@H](C)N(C)C(=O)N[C@@H]1CCCC(C)(C)C1 491484337 IJNIITQFOWIBCP-VXGBXAGGSA-N 236.359 2.618 30 20 BFED C#C[C@H](C)N(C)C(=O)[C@@H]1CCC(C)=C(C)C1 491787972 YKLWMERFLUNGJQ-QWHCGFSZSA-N 219.328 2.603 30 20 BFED Cc1cc(CNCC2CC=CC2)ccc1C#N 527745927 SIFWBPIANLUXPS-UHFFFAOYSA-N 226.323 2.923 30 20 BFED CC#CCN1CCC(Oc2cccc(F)c2)CC1 528571151 FQVZKGQYPAOWOJ-UHFFFAOYSA-N 247.313 2.692 30 20 BFED Cc1cn(Cc2ccccc2[N+](=O)[O-])cc1C#N 532088526 GEXSYTYEDKZBAY-UHFFFAOYSA-N 241.250 2.625 30 20 BFED CCCSCc1cccc(C(=O)OC)c1C#N 533689569 GUMGAUXYQTZPHG-UHFFFAOYSA-N 249.335 2.988 30 20 BFED C[C@](C#N)(NC(=O)c1ccc[nH]1)C1CCCCC1 571672943 KKNBKEKXSONIHB-CQSZACIVSA-N 245.326 2.607 30 20 BFED CCC[C@H](C#N)NC(=O)C1=CCC(C)(C)CC1 575881863 UHJOVMNRMXWQRX-GFCCVEGCSA-N 234.343 2.931 30 20 BFED N#Cc1ncccc1SC[C@H]1CCC[C@@H](O)C1 579493276 DHRKKJFNBBTJBV-WDEREUQCSA-N 248.351 2.596 30 20 BFED N#Cc1cccc([N+](=O)[O-])c1N1CCCCCC1 581425716 ZBLNIVJCFKFQEK-UHFFFAOYSA-N 245.282 2.847 30 20 BFED N#CC1(CNC/C=C/c2ccc(F)c(F)c2)CC1 583171969 NQSHBSFQZDZYQG-OWOJBTEDSA-N 248.276 2.871 30 20 BFED N#CC1(CNc2ncc(Cl)s2)CCC1 591370982 CHDZKQNSNKVZJP-UHFFFAOYSA-N 227.720 2.902 30 20 BFED Cc1noc([C@@H](C)SCC2(C#N)CCC2)n1 591380288 GNXKZQGXJXTCLK-MRVPVSSYSA-N 237.328 2.866 30 20 BFED CCC(=O)N(CC#N)c1ccc(Cl)cc1 592650645 MHKCHFBTIJHDJY-UHFFFAOYSA-N 222.675 2.607 30 20 BFED CC[C@@H](C#N)N(C)C(=O)[C@H]1CCCC(F)(F)C1 594091840 QBJSZTUIKQSRRS-UWVGGRQHSA-N 244.285 2.572 30 20 BFED Cc1ccc(C#N)nc1N1C[C@@H](C)S[C@H](C)C1 596140479 YOWOMUMCELUUOT-GHMZBOCLSA-N 247.367 2.592 30 20 BFED Cc1noc([C@@H](C)SCCCCC#N)n1 610798040 WMKZSMSYVLGAIY-MRVPVSSYSA-N 225.317 2.866 30 20 BFED Cc1ccnc(CN2CCC[C@](C)(C#N)C2)c1 616773368 JBTJCMRRHAKKFC-CQSZACIVSA-N 229.327 2.516 30 20 BFED C[C@@H](CCC#N)CN(C)CCc1nccs1 618888500 VGUCIFHKLSKJGJ-NSHDSACASA-N 237.372 2.557 30 20 BFED C=CCCC(C)(C)NC(=O)c1cn(CC)nc1C 628156184 FMWPRUMZMOWBJL-UHFFFAOYSA-N 249.358 2.686 30 20 BFED C=CCN(C)C(=O)c1ccc(C)c(F)c1F 632570517 OPUCGDJCBJGJGR-UHFFFAOYSA-N 225.238 2.531 30 20 BFED C=CC[C@@H](C)NC[C@@H](Cc1ccccc1)OC 638610521 PKKDLHOFLHIQDE-UKRRQHHQSA-N 233.355 2.798 30 20 BFED C=CC[C@H](C)NCc1nccn1C(C)C 657363047 DVDALVBSYLXCMW-NSHDSACASA-N 207.321 2.518 30 20 BFED C=CCCC(C)(C)NCC1=CCCOC1 657805644 SFIDABMIQHMNPF-UHFFFAOYSA-N 209.333 2.668 30 20 BFED C=CCn1c(CC)nnc1N(C)C[C@@H]1CC1(C)C 669069530 NSDMFTDDPNVQKY-NSHDSACASA-N 248.374 2.509 30 20 BFED CCC#C[C@@H](C)N1CCS[C@H](CC)C1 677479646 LCRVXUZFCHMPOV-VXGBXAGGSA-N 211.374 2.616 30 20 BFED C=CCCC(=O)Nc1ncc(-c2ccccc2)[nH]1 679169170 DSLFGZRKXIMPCX-UHFFFAOYSA-N 241.294 2.981 30 20 BFED C=C[C@](C)(CC)C(=O)NC[C@H](C)C1CC1 682359077 WZFCWBIOFKYXOP-GXFFZTMASA-N 209.333 2.751 30 20 BFED COC1(CN[C@H](C)CC(C)(C)C#N)CCCC1 695838482 WZRHIDASLQKLDU-GFCCVEGCSA-N 238.375 2.864 30 20 BFED Cc1cocc1C(=O)Nc1ccccc1C#N 707819013 XIRRSZMTPSOUGR-UHFFFAOYSA-N 226.235 2.712 30 20 BFED N#CC1(C(=O)OCCCc2ccccc2)CCC1 735988878 MBTXEMBYGXFMNU-UHFFFAOYSA-N 243.306 2.856 30 20 BFED CCC(=NNc1ccccc1F)c1cnn(C)c1 741805858 DQIVONHGJYBBGW-UHFFFAOYSA-N 246.289 2.785 30 20 BFED Cc1ccc([C@H](C)C(=O)N(CCC#N)C(C)C)o1 742607560 WUTDNZIHUDOCBN-LBPRGKRZSA-N 248.326 2.842 30 20 BFED CC(=NNc1cccnn1)C1C(C)(C)C1(C)C 746576356 NZYJPANVWHJJLM-UHFFFAOYSA-N 232.331 2.947 30 20 BFED CCC[C@@H](C#N)NC(=O)C(C)=C1CCCC1 753600715 CDESBCBFPATXEA-LBPRGKRZSA-N 220.316 2.685 30 20 BFED C#CC(=O)Nc1cc(-c2nc(C)co2)ccc1C 754075724 NAZMQOOJBUVIHG-UHFFFAOYSA-N 240.262 2.530 30 20 BFED CC(=NNc1cccnn1)c1cc(F)cc(F)c1 755892561 XNERAEHHFKKYQH-UHFFFAOYSA-N 248.236 2.591 30 20 BFED FC(F)(F)Oc1cccc(C=NNC2CC2)c1 758127096 KXGWXEDGPQWCES-UHFFFAOYSA-N 244.216 2.671 30 20 BFED C#CCCN(CC#C)[C@@H]1CCc2ccccc21 760821011 SQNKRKHLRRGSBT-MRXNPFEDSA-N 223.319 2.632 30 20 BFED N#Cc1ccc(F)cc1COC(=O)C1=CCCC1 761562135 COAXHQUDAJAJHG-UHFFFAOYSA-N 245.253 2.851 30 20 BFED COCCON=C1CCCC[C@@H]1C(C)C 764696689 QXZUALKFNINBQC-LLVKDONJSA-N 213.321 2.852 30 20 BFED C[C@@H]1C[C@H]1C=NNc1ncnc2ccsc12 764839931 HRGROWXVVNRWCR-SFYZADRCSA-N 232.312 2.745 30 20 BFED Cc1cc(Cl)ccc1C=NNC[C@H](C)C#N 767386919 GNKHREOBULJKJG-SECBINFHSA-N 235.718 2.732 30 20 BFED CC(Cc1ccncc1)=NNCc1ccccc1 767759032 JPRMTAIVKYBOQX-UHFFFAOYSA-N 239.322 2.790 30 20 BFED C[C@H]1C[C@@H]1C=NNc1cc(C#N)cc(Cl)n1 768382695 XAENMAMREJFIRK-IONNQARKSA-N 234.690 2.660 30 20 BFED CC(CCC1CC1)=NN=C(C)c1cnccn1 768777008 VNMFRHNJSDFJTC-UHFFFAOYSA-N 230.315 2.852 30 20 BFED C[C@@H](C#N)CNN=Cc1cc2ccccc2s1 771107327 LWYGZXWMVHNZEL-JTQLQIEISA-N 243.335 2.984 30 20 BFED CC(=NOCC(F)(F)F)c1cnccc1C 771558264 YWBVCJIJSAYXLM-UHFFFAOYSA-N 232.205 2.693 30 20 BFED C#C[C@H](C)NC(=O)[C@@H](C)Cc1cccc(Cl)c1 772983733 GDIMBUOFPYDJLE-QWRGUYRKSA-N 249.741 2.657 30 20 BFED Cc1ncc(CCN[C@H]2CCC[C@@H](C#N)C2)s1 774267409 WQWHHZFLUHXUHR-NEPJUHHUSA-N 249.383 2.666 30 20 BFED C=C(C)CCOC(=O)c1ccc(C)nc1OC 777323985 RAUDCYHSWTXNFW-UHFFFAOYSA-N 235.283 2.522 30 20 BFED C#CCCCCCC(=O)N[C@](C)(C#N)C(C)C 779761366 MZBXISNYEVKTJV-CQSZACIVSA-N 234.343 2.625 30 20 BFED C[C@@H]1CCCC1=NN[C@@H]1CCOC(C)(C)C1 780246138 CUPWEGJAENOEGO-GHMZBOCLSA-N 224.348 2.710 30 20 BFED Clc1cscc1C=NN[C@H]1CCCOC1 780263638 UHZOPXAXHDWHPA-VIFPVBQESA-N 244.747 2.504 30 20 BFED Clc1cncnc1NN=C[C@@H]1C[C@H]2C=C[C@H]1C2 780281891 XKTFTXIJDNSZHM-GUBZILKMSA-N 248.717 2.740 30 20 BFED C#CCN(CC)C[C@H]1CCc2ccccc21 780292422 CQXBQUXPRJMUAD-CQSZACIVSA-N 213.324 2.672 30 20 BFED C#CCN1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 786124625 GKGAZPIWXDQYOS-ZFWWWQNUSA-N 213.324 2.806 30 20 BFED CC(=NOC[C@@H]1CCOC1)C1CCCC1 788039501 RIOZTYWMIDAXPH-LLVKDONJSA-N 211.305 2.606 30 20 BFED C#CCOc1cccc(OC(=O)/C(=C\C)CC)c1 789368621 FFMFRKXYGCAFKW-XGICHPGQSA-N 244.290 2.960 30 20 BFED C#CCCCCNC(=O)NC[C@@H]1CC[C@@H](C)C1 792998364 UPWYRPGZTNVCQM-CHWSQXEVSA-N 236.359 2.525 30 20 BFED C[C@@H]1CSCC1=NNc1cccc(Cl)n1 793160596 BZURVSLQLLXNNO-SSDOTTSWSA-N 241.747 2.886 30 20 BFED CC(C)[C@@H]1CCCC(=NN[C@H]2CCOC2)C1 794538802 WUTRVSCIAVVVMJ-YPMHNXCESA-N 224.348 2.567 30 20 BFED CC(=NNCCC(F)(F)F)c1occc1C 794552471 JIVMJLUUHWOMQL-UHFFFAOYSA-N 234.221 2.854 30 20 BFED C#CCCCN[C@H](C(C)C)[C@@H](O)c1ccccc1 794603114 ZVYLIUMJCVSTPQ-CVEARBPZSA-N 245.366 2.748 30 20 BFED CC[C@@H]1C[C@H]1/N=C\c1cc(OC)ccc1O 797784613 BGBLNGXJAZEAAH-WDMMMDRRSA-N 219.284 2.618 30 20 BFED N#CCCCCCC(=O)OCCC(F)(F)F 805695583 ALKSDUOUITTZDJ-UHFFFAOYSA-N 237.221 2.956 30 20 BFED CON(C[C@H]1CCC[C@@H](C)C1)CC1(C#N)CC1 810136231 CSOVRDCYHGMCST-OLZOCXBDSA-N 236.359 2.980 30 20 BFED C(/C=C\c1ccco1)=NNC[C@H]1CCSC1 811659496 UIWNEOFMLGCSPJ-GDXBVVRESA-N 236.340 2.621 30 20 BFED CCC(=NOC/C=C\Cl)[C@@H]1CCOC1 811671646 IVZQGENBJJKEPH-CNFAGMPCSA-N 217.696 2.558 30 20 BFED CC(Cc1ccncc1)=NOCCC1CC1 814245920 NVFZDVHIBWUKEG-UHFFFAOYSA-N 218.300 2.817 30 20 BFED N#C[C@H]1CCCC(=NOCC(F)(F)F)C1 814881355 WPTMKDGBAKJUAL-ZETCQYMHSA-N 220.194 2.635 30 20 BFED CCC(=NNCCC(F)(F)F)c1ccco1 814920169 COWITFBLRABICD-UHFFFAOYSA-N 234.221 2.936 30 20 BFED CSCCON=C(C)c1ccccc1C#N 814921945 LNTOSOUXOFMRSM-UHFFFAOYSA-N 234.324 2.662 30 20 BFED Cc1cc(C#N)cnc1C(=O)O[C@H](C)C1CCC1 815970635 FVPKUHCQGFJXLW-SNVBAGLBSA-N 244.294 2.607 30 20 BFED C#CC[C@H](NCC1(O)CCCC1)c1ccccc1 819192077 XFEFJEFQSKRBBL-HNNXBMFYSA-N 243.350 2.646 30 20 BFED C=C[C@@](C)(O)Cc1nc(-c2ccc(C)cc2)no1 820437909 LNHNTKMWFZEQTN-CQSZACIVSA-N 244.294 2.525 30 20 BFED C=C[C@H](CC)CC(=O)NCC1CC(C)C1 826864537 STWFCGUNWOMVPV-MOENNCHZSA-N 209.333 2.751 30 20 BFED C#C[C@H](NC(=O)N1CCC[C@@H]1C)c1ccccc1 827227629 JKKIXNXQFOTYFH-JSGCOSHPSA-N 242.322 2.555 30 20 BFED C#Cc1cnc(N[C@@H](C)CCCCC)nc1 827451733 JPGDNEJZVRNSAT-NSHDSACASA-N 217.316 2.839 30 20 BFED C=CC[C@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)O2 828039561 FABPNINDGBQREF-QWRGUYRKSA-N 245.322 2.704 30 20 BFED C#CCCCNC(=O)c1ccccc1C(C)C 828992264 YIEFOAWYTYQVHR-UHFFFAOYSA-N 229.323 2.953 30 20 BFED N#CCCCN(c1ccccc1)C1CC1 832157594 ZNOSAYYIAXJPOE-UHFFFAOYSA-N 200.285 2.959 30 20 BFED CCn1ccnc1C(C)=NOCCC(F)(F)F 834972404 OCMPJLGLDSCNFT-UHFFFAOYSA-N 249.236 2.596 30 20 BFED Nc1ccc2c(c1)CCCC2=NOC1CCC1 834980333 WRYGFPTUBRPFST-UHFFFAOYSA-N 230.311 2.878 30 20 BFED CCOC(=O)C(C)(C)ON=C[C@@H]1CC[C@H](C)C1 835006094 MVJPEILTUVMTCM-WDEREUQCSA-N 241.331 2.767 30 20 BFED Cc1ccc(C=NN[C@@H]2CCOC2(C)C)cc1C 835013569 DNCUCHDAWFQNOP-CQSZACIVSA-N 246.354 2.794 30 20 BFED CC#CCCOC(=O)C1(C(F)(F)F)CCC1 835286558 GZQBKTBQYPBJPN-UHFFFAOYSA-N 234.217 2.676 30 20 BFED C=CCN(Cc1ccccc1)C(=O)C#CC1CC1 837339514 XQTGKAFSKVDXMT-UHFFFAOYSA-N 239.318 2.615 30 20 BFED CCN(Cc1ccoc1)C(=O)C#CC(C)(C)C 837385247 VEIAUKPBUHTPCQ-UHFFFAOYSA-N 233.311 2.678 30 20 BFED Cc1noc(C)c1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839060124 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240.347 2.569 30 20 BFED C=CCN(CC1(Br)CC1)C1CC1 846841708 NLTLVLDQNHRVGK-UHFFFAOYSA-N 230.149 2.564 30 20 BFED CC(C)(C)[C@@H](C#N)OC(=O)C1CC2(CC2)C1 850937950 PAUNPAJVAITNKL-SNVBAGLBSA-N 221.300 2.658 30 20 BFED CC[C@@H](CC#N)OC(=O)/C=C(/C)c1ccco1 850979755 WBAHCWGDZNSBCO-JUDLJHIGSA-N 233.267 2.918 30 20 BFED C=CC(C)(C)CCOC(=O)[C@H]1CC1(F)F 851300062 JLOYWRRQEQYEQY-MRVPVSSYSA-N 218.243 2.787 30 20 BFED C#C[C@](C)(CC)N[C@H](C)c1nc(C(C)C)no1 852100589 YJGGYGBTUZHNCP-ZWNOBZJWSA-N 235.331 2.646 30 20 BFED C=CCCn1cc(C=NOC2CCCCC2)nn1 853335373 RSWARHWBTPPBIQ-UHFFFAOYSA-N 248.330 2.537 30 20 BFED CC[C@H]1COCC1=NNc1ccc(Cl)cn1 853434853 KAZJZLPYDBHAJE-QMMMGPOBSA-N 239.706 2.559 30 20 BFED Cc1cc(CON=Cc2cccs2)nc(C)n1 853641064 XKZYWEMXFAZXJN-UHFFFAOYSA-N 247.323 2.706 30 20 BFED CC(C)C#CC(=O)Nc1ncsc1C(C)C 854493771 GXAHZVGLPDTWAS-UHFFFAOYSA-N 236.340 2.864 30 20 BFED CC[C@@H]1CCCC[C@H]1CNC(=O)C#CC(C)C 854740856 BNMOBAURYYHKST-KGLIPLIRSA-N 235.371 2.978 30 20 BFED C=C[C@H](CC)OC(=O)c1cnc2n1CCCCC2 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C[C@@H]1CC(=NN[C@@H]2CCCOC2)c2ccccc21 807983596 RECAVAXYBGVQLZ-VXGBXAGGSA-N 244.338 2.667 30 20 BFED C=CCC(CC=C)C(=O)OCc1ncc(C)cn1 808526238 OFCDLXIJJIJUTL-UHFFFAOYSA-N 246.310 2.597 30 20 BFED Cc1ccc(C(=O)/C=C/c2cnccn2)s1 809153321 RCXKOKICKDLDHC-ONEGZZNKSA-N 230.292 2.743 30 20 BFED C#C[C@@H](NCc1ccc(OCC)cc1O)C(C)C 809685488 VZKRKKYXUMAJLK-CQSZACIVSA-N 247.338 2.538 30 20 BFED CC(C)[C@@](C)(C#N)NC(=O)C1(F)CCCCC1 810022772 BPRWLXULSMNRSW-GFCCVEGCSA-N 240.322 2.713 30 20 BFED C#C[C@H](C)N(C)C(=O)NCCCCC(C)(C)C 812031143 XBVDRTFUBJIRKK-LBPRGKRZSA-N 238.375 2.866 30 20 BFED CC(C)[C@H](F)C(=O)Nc1ccc(C#N)c(F)c1 813259713 BOFREAXXNDBMGF-NSHDSACASA-N 238.237 2.630 30 20 BFED c1ccc2c(c1)CCC(=NOCC1CC1)C2 814242441 ZZBVDXOXLZPRKW-UHFFFAOYSA-N 215.296 2.958 30 20 BFED CC(=NOCCC1CC1)c1cc(O)ccc1O 814247207 WJFQOKRVFSFEEO-UHFFFAOYSA-N 235.283 2.639 30 20 BFED c1ccc(NN=C2C[C@H]3CC[C@H]2C3)nc1 814732142 ZNQAGGBIDMECLZ-UWVGGRQHSA-N 201.273 2.670 30 20 BFED CCCC(=NN=c1cc[nH]cc1)c1ccccn1 814899961 XFKOYPHQHLAWTE-UHFFFAOYSA-N 240.310 2.515 30 20 BFED C#C[C@H](C)NC(=O)N1CCC[C@H](C)[C@@H]1CCC 820429460 WPKRMRSDTBHEBH-AVGNSLFASA-N 236.359 2.618 30 20 BFED C#Cc1ccc(CN[C@@H]2C[C@H]2C2CCC2)cc1 822498181 VRBNNYRYVHUNCX-JKSUJKDBSA-N 225.335 2.946 30 20 BFED C=CCCCC(=O)Nc1cc(C(=O)O)ccc1C 825671388 OGJXSQMPSWRKOE-UHFFFAOYSA-N 247.294 2.988 30 20 BFED C[C@@H]1CC(=NNc2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 834915323 ZBXUVUHXHVYLPE-RKDXNWHRSA-N 249.270 2.560 30 20 BFED CCC[C@H](C=NNc1cc(C)ccn1)OC 834965271 YGYPKZMNQUYDJC-LLVKDONJSA-N 221.304 2.603 30 20 BFED COCC1CCC(=NOCC(C)C)CC1 834967043 XABSEGBZLUGOKQ-UHFFFAOYSA-N 213.321 2.852 30 20 BFED CCc1cnccc1C(C)=NOC(C)C 835003659 WZHFJYGNPGZTMZ-UHFFFAOYSA-N 206.289 2.793 30 20 BFED Cc1cccc(C)c1C=NN[C@H]1CCOC1(C)C 835017253 LPVMSUOEXVISCS-AWEZNQCLSA-N 246.354 2.794 30 20 BFED CC(C)C[C@@H]1C[C@H]1C(=O)OC1(C#N)CCC1 835213373 RFCPJNOKEWQNPX-GHMZBOCLSA-N 221.300 2.658 30 20 BFED CS[C@H](C)COC(=O)c1cc(C#N)cs1 835684655 ZPDOVBIUAKULSS-SSDOTTSWSA-N 241.337 2.528 30 20 BFED CCCCN(CC(F)(F)F)C(=O)C#CC1CC1 837359946 JEONGXUDQYEEFF-UHFFFAOYSA-N 247.260 2.591 30 20 BFED CCC[C@H]1CCCC[C@H]1NC(=O)C#CC1CC1 837392999 HCDOANSYHSLSIB-UONOGXRCSA-N 233.355 2.875 30 20 BFED C#Cc1cccc(CNC(=O)NC(C)(C)CC)c1 838725160 YSVAGIHASCZXTJ-UHFFFAOYSA-N 244.338 2.656 30 20 BFED C#C[C@H](CCC)NC(=O)N[C@@H]1C[C@]1(C)C(C)C 838763363 IQHBRNFGXIRLPM-YRGRVCCFSA-N 236.359 2.522 30 20 BFED C#C[C@@H](C)NC(=O)Nc1ccc(C)cc1SC 841727584 RJUCMCAZQRSFFK-SNVBAGLBSA-N 248.351 2.860 30 20 BFED CCC[C@@H]1CCCCC1=NN[C@@H](CC)C(=O)O 842532638 AGBCBJBRNLRROL-MNOVXSKESA-N 240.347 2.786 30 20 BFED C#CC(C)(C)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C 843547193 HYJWZECEROBWCW-WDEREUQCSA-N 221.344 2.587 30 20 BFED C=C(C)CON=C(C)c1cc(N)ccc1F 844619153 CKQVSBOJXFBANN-UHFFFAOYSA-N 222.263 2.725 30 20 BFED C=C(C)CONC(=O)C(C)=C1CCCC1 846536967 DTKAFCKHVBMSSQ-UHFFFAOYSA-N 209.289 2.501 30 20 BFED C/C(=C\c1ccco1)C(=O)O[C@@H](C#N)C(C)C 847637008 ILEPWWXDIRFNCW-PMDBQALLSA-N 233.267 2.774 30 20 BFED C[C@H](C#N)OC(=O)c1cccc(C2CC2)c1 848839040 VHLMMHJEEICUCO-SECBINFHSA-N 215.252 2.633 30 20 BFED C=CCCNC(=S)Nc1ccc(C)cc1 849278416 XGQHGKNWPIHEIN-UHFFFAOYSA-N 220.341 2.858 30 20 BFED C=CC[C@@H]1CCCN(C(=S)N[C@@H](C)CC)C1 849279596 AZROEFYXLCZWNA-NWDGAFQWSA-N 240.416 2.948 30 20 BFED C=CCCOC(=O)[C@H]1CCNc2cc(F)ccc21 849834907 MJOIOHJCBSWYKH-LBPRGKRZSA-N 249.285 2.844 30 20 BFED C/C(=C/C(=O)OC(C)(C)C#N)c1ccco1 850893639 WPABBZCMAXHVKQ-CLFYSBASSA-N 219.240 2.528 30 20 BFED C=C[C@H](OC(=O)c1ncccc1F)C(C)(C)C 851007770 DPMTZLVPPVWURT-JTQLQIEISA-N 237.274 2.978 30 20 BFED CCOC1CCC(=NO[C@H]2CCCCO2)CC1 853324868 GEFFPPPLWXQTOJ-ABLWVSNPSA-N 241.331 2.865 30 20 BFED COCC(=NNc1ccc(C)c(F)c1)C1CC1 853438960 VUZBAGBAVYOSRT-UHFFFAOYSA-N 236.290 2.958 30 20 BFED CC(=NOCC1CCC1)[C@H]1CCCOC1 853439351 IGDUXRLCMDTPHI-LBPRGKRZSA-N 211.305 2.606 30 20 BFED C#C[C@H](CC)NC(=O)N(C)[C@H]1CCCC[C@@H]1C 854071075 WDHIERLWZGAGAY-XQQFMLRXSA-N 236.359 2.618 30 20 BFED CC(C)(C)C#CC(=O)NCCCC1CCC1 855802989 IJLOBFMWXWCPFI-UHFFFAOYSA-N 221.344 2.732 30 20 BFED C#CCC[C@@H](C)OC(=O)C(C#N)(CC)CC 860826299 VTSWDYXYYSRDKT-LLVKDONJSA-N 221.300 2.661 30 20 BFED CC(C)(C#N)C(=O)OC1CCC(F)(F)CC1 860968656 CSVBSDSBNBIVOC-UHFFFAOYSA-N 231.242 2.657 30 20 BFED C[C@H](C#N)OCCSCC(=O)c1ccccc1 865372037 IPCBIAUDYBETEW-LLVKDONJSA-N 249.335 2.531 30 20 BFED CN(Cc1ccccc1O)CC1(CC#N)CC1 878241502 GTEMVQJDYIKCCE-UHFFFAOYSA-N 230.311 2.518 30 20 BFED C=CCN(CCCOC(F)(F)F)C1CC1 878342128 QRGXEMBIEVFBME-UHFFFAOYSA-N 223.238 2.563 30 20 BFED C=CC(C)(C)CC(=O)NC[C@H]1CCC[C@@H]1OC 879384412 KBBQJPNRTGSNCS-NEPJUHHUSA-N 239.359 2.520 30 20 BFED C=CC(C)(C)CC(=O)NCc1cc(C)nc(C)c1 880322616 IJGCKWLJRORUIP-UHFFFAOYSA-N 246.354 2.917 30 20 BFED C=CC[C@@H](CC)NC(=O)Nc1cncc(OC)c1 880550990 ZKELMWBPEWXTPX-SNVBAGLBSA-N 249.314 2.566 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1ncc(CC)o1 889388806 CXJWFKXJYZATJZ-GFCCVEGCSA-N 222.288 2.778 30 20 BFED N#Cc1ccc(F)c(NC(=O)[C@@H]2CC23CCC3)c1 891451809 QTZNRPCSLVBVQG-JTQLQIEISA-N 244.269 2.826 30 20 BFED CCC#CCOC(=O)C[C@@]1(C)CC1(Cl)Cl 893842944 BMSPOWFBNDRLJS-JTQLQIEISA-N 249.137 2.917 30 20 BFED CCN(CC#N)C/C=C/c1cccc(F)c1 893968917 GBHYYGIWZSYMMH-GQCTYLIASA-N 218.275 2.684 30 20 BFED C=C[C@H](CC)CC(=O)Nc1cccc(C(=O)O)c1 899536467 IZVSTTPNYZBAQG-SNVBAGLBSA-N 247.294 2.926 30 20 BFED C[C@@H]1CC(=NNc2c(F)cc(F)cc2F)CO1 901321828 ZCRSZQJOFZALHV-ZCFIWIBFSA-N 244.216 2.681 30 20 BFED Cc1cc(C#N)cc(C)c1OCc1nncs1 902269363 JMGJCYQKWLVFIM-UHFFFAOYSA-N 245.307 2.606 30 20 BFED CCOCCN[C@@H](CC)c1cccc(C#N)c1 902752682 LDANCRMOTJGCOG-AWEZNQCLSA-N 232.327 2.635 30 20 BFED C[C@@H](NCC1(C#N)CC1)c1ccc(C#N)c(F)c1 903106352 OASHKBQNIQHJBM-SNVBAGLBSA-N 243.285 2.652 30 20 BFED C[C@H]1CN[C@H](C)CN1CCCCC1(C#N)CCC1 903752315 RAOYLDWGYCEXQA-KGLIPLIRSA-N 249.402 2.533 30 20 BFED N#CCCCOC(=O)Cc1ccccc1Cl 916599251 KFLCQZALOWQSMY-UHFFFAOYSA-N 237.686 2.729 30 20 BFED CC(C)(C#N)C(=O)OCc1cc(F)ccc1F 919350534 DNAMDOQYFGCXSL-UHFFFAOYSA-N 239.221 2.558 30 20 BFED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1ccc[nH]1 925642617 CAIDRJXYCDNONL-WDEREUQCSA-N 219.332 2.994 30 20 BFED C#CCCN(Cc1ccccn1)CC(C)C 932447466 SNGLCFODJGXUGB-UHFFFAOYSA-N 216.328 2.563 30 20 BFED C=C[C@H](CC)CC(=O)N1C[C@H](C)O[C@H](CC)C1 932522278 XMCSIRMPGQMSFY-YNEHKIRRSA-N 239.359 2.615 30 20 BFED C=C[C@H](CC)CC(=O)N(CC)CC1CC1 932588132 CAUDBXRLBTZYHK-LLVKDONJSA-N 209.333 2.847 30 20 BFED CC#CCOC(=O)c1cc(C)n(CC2CC2)c1C 1116162353 KWMPZVXIDYGTRC-UHFFFAOYSA-N 245.322 2.695 30 20 BFED C[C@@H]1CC(=NNCC2CCOCC2)C[C@@H](C)C1 1116345046 BDTZROYYMAZJTG-RYUDHWBXSA-N 238.375 2.815 30 20 BFED C=C[C@@H](CC)OC(=O)[C@H]1CCOC(C)(C)C1 1122783056 VHLVYTPUKOJAJS-QWRGUYRKSA-N 226.316 2.699 30 20 BFED C=C[C@@H](COC)N[C@H](C)c1ccccc1OCC 1321242765 ZFNMRVXAQFQWSS-OLZOCXBDSA-N 249.354 2.937 30 20 BFED CC(C)c1ncc(C(=O)OCCC(C)(C)C#N)[nH]1 1323487171 KOXFROHNPQGWMM-UHFFFAOYSA-N 249.314 2.630 30 20 BFED C=CCOCCCc1nnc(-c2ccccc2)o1 1324998413 DHVNFISSGWVFSI-UHFFFAOYSA-N 244.294 2.872 30 20 BFED C=CC[C@H](N[C@@H](C)CCCCCC)C(=O)O 1333125341 UGUXQNKMRURWSR-RYUDHWBXSA-N 227.348 2.964 30 20 BFED C=C(C)CCC(=O)N(C)Cc1conc1CC 1336502019 NMCKZNQLDXSCNX-UHFFFAOYSA-N 236.315 2.552 30 20 BFED C=CCC[C@H]1CCCN1C(=O)/C(C)=C/C 1337552399 WMYYZPXJHJQPSO-JVOXIWMLSA-N 207.317 2.910 30 20 BFED CCCC(C)(C)C(=O)N(C)[C@H](C)CC#N 1337669950 GOYLSKDBTYDANS-SNVBAGLBSA-N 210.321 2.573 30 20 BFED N#Cc1ccnc(NC[C@@H]2C[C@H]3C=C[C@H]2C3)c1 1343306620 RFVJDCJIOBSSAV-DRZSPHRISA-N 225.295 2.577 30 20 BFED C=C(C)CCC(=O)OC[C@H]1CCCS1 1344122492 UKNZWJASNGJZMR-SNVBAGLBSA-N 214.330 2.782 30 20 BFED C#CC[C@@H](C)OC(=O)C1CCC(=C)CC1 1344714546 SHIMCOAUFYGDIB-LLVKDONJSA-N 206.285 2.688 30 20 BFED C[C@@H](C(=O)N[C@H](C#N)C1CCCC1)c1ccco1 1350857488 MMZKYNUZMGDIQI-ZYHUDNBSSA-N 246.310 2.582 30 20 BFED Cc1ccc2ccccc2c1Cn1cc(C#N)nn1 1656599732 PXVVXXCCBFEAKY-UHFFFAOYSA-N 248.289 2.660 30 20 BFED C=C1CCN([C@H](C(=O)O)c2cccc(C)c2)CC1 1776145956 YFELWUSLWVNLKG-AWEZNQCLSA-N 245.322 2.773 30 20 BFED C=CCN(C/C=C/C(=O)O)CC1CCCCC1 1776177645 IIFDCANVUHBOME-RMKNXTFCSA-N 237.343 2.696 30 20 BFED C=CCn1c(Cc2ccccc2)nnc1SC 9031146 IPXAFJIHJVYTPW-UHFFFAOYSA-N 245.351 2.777 30 20 BFED C#CCN[C@H](C)c1ccc2c(c1)CCCC2 20084771 SNQIYGJOCWKPNG-GFCCVEGCSA-N 213.324 2.849 30 20 BFED N#Cc1cccnc1NC[C@@H]1Cc2ccccc21 37566394 MQTBULQPFSFVQJ-ZDUSSCGKSA-N 235.290 2.705 30 20 BFED C=CCN(CC=C)CC[C@H](O)c1ccccc1 41164921 UMHQSHOCNDBWGH-HNNXBMFYSA-N 231.339 2.784 30 20 BFED CCOc1cc(C#N)ccc1OCCCC#N 42224393 LDQAEGOQWPDZES-UHFFFAOYSA-N 230.267 2.640 30 20 BFED CN(CC#N)Cc1c(Cl)cccc1Cl 45050100 VEXKHFKBWLQTFY-UHFFFAOYSA-N 229.110 2.949 30 20 BFED C[C@@H](C#N)Sc1nc2ccccc2o1 48101671 VGTAWDGWNTXMIW-ZETCQYMHSA-N 204.254 2.832 30 20 BFED CCCC(=O)N[C@H](C#N)c1ccc(CC)cc1 49821730 HGQRCSUQWCLBDO-CYBMUJFWSA-N 230.311 2.730 30 20 BFED CCC[C@H](CC)Nc1ncccc1C#N 50164892 OVQUPKGLALXBIR-NSHDSACASA-N 203.289 2.944 30 20 BFED CN(CC#N)Cc1csc2ccccc12 51853490 VTDZUNJKMDHMLU-UHFFFAOYSA-N 216.309 2.857 30 20 BFED COc1ccccc1CN(CCCC#N)C1CC1 52183409 UAYUUSUJSRIHOA-UHFFFAOYSA-N 244.338 2.963 30 20 BFED C[C@@H](C(=O)Nc1ccccc1C#N)C1CC1 62159689 OWFPVIARZDJNNY-SECBINFHSA-N 214.268 2.543 30 20 BFED C[C@H](CNc1cc(Cl)ccc1C#N)N(C)C 62785358 FMMBUMGQNVXVFA-SECBINFHSA-N 237.734 2.574 30 20 BFED C[C@H](CC#N)N(C)C(=O)Nc1ccccc1F 63094778 KLRVZQUNVURINL-SECBINFHSA-N 235.262 2.592 30 20 BFED CSCCNc1cccc(Cl)c1C#N 70184381 VPPHEWHSSWVNJB-UHFFFAOYSA-N 226.732 2.987 30 20 BFED C[C@H](Nc1cccc(C#N)c1)c1cnccn1 70477343 SHSPKJVUJYCXDX-JTQLQIEISA-N 224.267 2.521 30 20 BFED CN(CCCSCC#N)CC(C)(C)C 74990050 FCKMTOUSBRGQMM-UHFFFAOYSA-N 214.378 2.611 30 20 BFED C=CCCCn1nccc1-c1ccncc1 77239485 SUDJGAUBOJKRFY-UHFFFAOYSA-N 213.284 2.911 30 20 BFED C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C(C)(C)C#N)o1 77698997 ZECYYCJVRQINRR-KOLCDFICSA-N 246.310 2.569 30 20 BFED N#Cc1ccc(NC[C@@H]2CCC[C@H](O)C2)c(F)c1 78305026 LMAROABRWZSJKW-NEPJUHHUSA-N 248.301 2.660 30 20 BFED N#CCC[C@@H](C#N)CN1CCCc2ccccc21 78778365 CIBHHACLXYVVKO-ZDUSSCGKSA-N 239.322 2.883 30 20 BFED CC#CCN[C@H](C)C(C)(C)c1ccccc1 90919478 FKPBIHCWPURRPB-CYBMUJFWSA-N 215.340 2.966 30 20 BFED CO[C@@H]1CCC[C@H]1Nc1cccc(F)c1C#N 93396658 HDLUALZWJQRRIU-CHWSQXEVSA-N 234.274 2.677 30 20 BFED C=C[C@@H](N)c1ccc(OC(F)(F)F)cc1 95643323 XTGBPFBHBXSWRY-SECBINFHSA-N 217.190 2.771 30 20 BFED O=C(/C=C/O)c1nc2ccccc2s1 100563967 CSANFXYKSRVHBW-AATRIKPKSA-N 205.238 2.551 30 20 BFED CCOc1cc(C#N)ccc1OCCCCOC 114096796 ZTYAUGDBOHZPMA-UHFFFAOYSA-N 249.310 2.762 30 20 BFED C=CC[C@H](C)NC(=O)c1ccc(C)s1 116854589 ZZMRMYJHFUECJR-QMMMGPOBSA-N 209.314 2.751 30 20 BFED Cc1cccc([C@@H](C)C(=O)N(C)[C@@H](C)CC#N)c1 121250784 GSWFNIMHHCUZSU-QWHCGFSZSA-N 244.338 2.859 30 20 BFED Cc1noc(C)c1CSc1cc(C#N)ccn1 125670556 NJUYEOBTFCDCNS-UHFFFAOYSA-N 245.307 2.850 30 20 BFED CCCCCCCOC(=O)[C@H](C)OC 126040925 BZWOJJVWLZBLSF-JTQLQIEISA-N 202.294 2.535 30 20 BFED C[C@H]1CC[C@H](CNc2cccc(F)c2C#N)O1 127773601 PTXVAGAZUOLNMC-VHSXEESVSA-N 234.274 2.677 30 20 BFED N#CCN(C(=O)C1=CCCCC1)C1CCCC1 128499404 BQWDDMIMZSTCDK-UHFFFAOYSA-N 232.327 2.782 30 20 BFED C[C@H]1CC[C@H](Nc2ccnc(C#N)c2)C1 129199745 GTTGEBMRAHOVPF-UWVGGRQHSA-N 201.273 2.554 30 20 BFED C=CCSCCN[C@@H](C)c1cncs1 129376503 WQWVTSIOMXALQU-VIFPVBQESA-N 228.386 2.713 30 20 BFED CC(C)CCC/N=C/c1ccc(O)c(O)c1O 129660924 DCUPKXKLYMCSRV-RIYZIHGNSA-N 237.299 2.659 30 20 BFED C=CCC(CC=C)C(=O)OCc1cncs1 129811334 CNSXWZBROLSNQF-UHFFFAOYSA-N 237.324 2.955 30 20 BFED C=C(C)CN[C@H]1C[C@@H](OC)C1(CC)CC 130808011 OZZPOCGFAQFYCK-NWDGAFQWSA-N 211.349 2.746 30 20 BFED N#Cc1ccc(NCCCC(F)(F)F)cn1 131916017 RTWVDMWJXWRSDZ-UHFFFAOYSA-N 229.205 2.708 30 20 BFED C=C[C@](C)(CC)C(=O)NCc1ccccc1OC 134855349 SZVWZQJEWJYJDH-OAHLLOKOSA-N 247.338 2.914 30 20 BFED CSC[C@H](C)N[C@H](C)c1ccc(C#N)cc1 135490934 LPMXXHIOTLQTRQ-WDEREUQCSA-N 234.368 2.960 30 20 BFED Cc1cnc(CNc2ccc(C#N)cc2F)o1 135607748 NPTDGMNGMDGSTJ-UHFFFAOYSA-N 231.230 2.606 30 20 BFED C[C@@H](NCc1ccc(C#N)s1)c1cccnc1 135671150 CWFFNRULZQYUFO-SNVBAGLBSA-N 243.335 2.866 30 20 BFED CC#CCCN1CCS[C@H]2CCCC[C@@H]21 156009486 ZLSJRLCOEXIDAG-STQMWFEESA-N 223.385 2.760 30 20 BFED CC#CCN(CC)[C@H](C)c1ccc(C#N)cc1 157705191 GRDADCQBUHCBTL-CYBMUJFWSA-N 226.323 2.964 30 20 BFED CCOC(C)(C)CNc1ccc(C#N)cc1F 159446230 SWGABNHZYPVEFI-UHFFFAOYSA-N 236.290 2.924 30 20 BFED CC[C@](C)(C#N)C(=O)NC[C@H](C)C(C)(C)C 162818514 NCEXBYJQCCVGOL-GXFFZTMASA-N 224.348 2.725 30 20 BFED CC[C@@H](C)[C@@H](C)Nc1nccc(C#N)c1[N+](=O)[O-] 167526833 AAPGOLRLKAIFNZ-RKDXNWHRSA-N 248.286 2.708 30 20 BFED C=CCOCCCC(=O)N[C@H](C)CCC(C)C 173254311 ZIOGGSCFFHHWEW-CYBMUJFWSA-N 241.375 2.910 30 20 BFED C#CCCCNC(=O)NC(CC)(CC)CC 173331487 SAXUOHTTWGCZJL-UHFFFAOYSA-N 224.348 2.668 30 20 BFED C=CCCCC(=O)Nc1ccc2c[nH]nc2c1 175218249 OTMDVQXLXKNLFN-UHFFFAOYSA-N 229.283 2.858 30 20 BFED C#CCCSc1nccc(C(F)(F)F)n1 178166443 JUFROIDFECFVAT-UHFFFAOYSA-N 232.230 2.611 30 20 BFED N#CCCN(Cc1ccccc1O)CC1CC1 179570461 PKEBYMIRVPGLIJ-UHFFFAOYSA-N 230.311 2.518 30 20 BFED C#CCCCN[C@@H](CCC)c1cccnc1 185580972 ZQXNDVNKBXIDPM-AWEZNQCLSA-N 216.328 2.926 30 20 BFED CCCN(CC#N)Cc1ccc(Cl)cc1C#N 187052960 LMTHEGAJZUYOES-UHFFFAOYSA-N 247.729 2.947 30 20 BFED CN(Cc1ccccc1)Cc1cc(C#N)n(C)c1 191146258 WDSVEPUSJRXOHF-UHFFFAOYSA-N 239.322 2.529 30 20 BFED CC1(C)[C@@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@H]21 192041910 IZWDFJPJSRWFKO-CHWSQXEVSA-N 244.313 2.785 30 20 BFED C#CCCCC(=O)N1CC[C@@H](C)C[C@@H](C)C1 192158926 GQWJZKODQAOLMJ-CHWSQXEVSA-N 221.344 2.685 30 20 BFED C=CCCCCCN(CC(C)(C)O)C1CC1 193566065 XECSEHPFRILEQV-UHFFFAOYSA-N 225.376 2.968 30 20 BFED C=Cn1cc(CN(CCC#N)CC(C)(C)C)cn1 193881498 QYNXVYAELWXRSS-UHFFFAOYSA-N 246.358 2.745 30 20 BFED C=CCCCOc1cccc(C(=O)OC)c1 217229960 BNFYZNTVEBUMBT-UHFFFAOYSA-N 220.268 2.818 30 20 BFED C[C@H](Nc1cc(F)cc(C#N)c1)C1CC1 227607905 LARMFKIDXIQFCE-QMMMGPOBSA-N 204.248 2.908 30 20 BFED CC(C)CCC[C@@H](C)Nc1nccc(C#N)n1 231898391 GJOWHTADINPVJL-LLVKDONJSA-N 232.331 2.975 30 20 BFED C=CCCCCCN(C)[C@H]1CCCC[C@H]1O 246012338 ZUSIOAKXIYOQCI-UONOGXRCSA-N 225.376 2.968 30 20 BFED C[C@@H](c1ccccn1)N1CCC(CC#N)CC1 259648790 HDAXZXNCFXZRRM-LBPRGKRZSA-N 229.327 2.768 30 20 BFED CN(C)C(=NC[C@H]1CCCC(C)(C)C1)N(C)C 263170141 RWPRUCYFLPQULN-LBPRGKRZSA-N 239.407 2.682 30 20 BFED C#CC(C)(C)NC(=O)CCc1ccc(CC)cc1 264994363 KWPVPXBSMVVNRP-UHFFFAOYSA-N 243.350 2.710 30 20 BFED CC(C)CN(C#N)c1ccc(F)c(C#N)c1 266452193 OECVTUOSVVVOSD-UHFFFAOYSA-N 217.247 2.641 30 20 BFED C#CC[C@@H](NC(=O)/C(C)=C/C)c1ccccc1 270457527 LUTCHDAMJSJYSH-IMBBRHANSA-N 227.307 2.833 30 20 BFED CC[C@@H](CC#N)Nc1ncnc2cccc(F)c12 273827364 FDKKDNQBWAGXIK-VIFPVBQESA-N 244.273 2.873 30 20 BFED C#CCN(C(=O)NCCC1=CCCCC1)C1CC1 273885759 BOPKUVVZLYKIJC-UHFFFAOYSA-N 246.354 2.684 30 20 BFED C=C(C)CCN(CC)Cc1ccncc1 274878008 ZAUQCBKESRNMJX-UHFFFAOYSA-N 204.317 2.870 30 20 BFED C=CCN(C)c1nnc(CC(C)(C)C)n1CC=C 282323097 QIYIJVLFCBOPDI-UHFFFAOYSA-N 248.374 2.675 30 20 BFED CC1(C)CC[C@H]1NC(=O)c1cc(C#N)cs1 287322434 VDFXYJGZRPEEDH-SNVBAGLBSA-N 234.324 2.538 30 20 BFED Cc1nsc(N2CC[C@@H](C)[C@H]2C)c1C#N 288425924 OADFWMQNMQRWQZ-VXNVDRBHSA-N 221.329 2.558 30 20 BFED C=CCN(CCC#N)c1ncnc2sccc12 291972545 WFGCFUMCXLINOM-UHFFFAOYSA-N 244.323 2.597 30 20 BFED C=CC(C)(C)C(=O)N1CCc2c(F)cccc21 295958504 JFEFNGCGBGYNEZ-UHFFFAOYSA-N 233.286 2.927 30 20 BFED C=CCSCCNC(=O)N(C)[C@@H](C)CCC 299294049 APXPMJNNPYWIOL-NSHDSACASA-N 244.404 2.736 30 20 BFED C[C@H](CCC#N)N[C@H](C)c1ccc(C#N)cc1 299716663 RLXRWKXSVDRSFC-VXGBXAGGSA-N 227.311 2.901 30 20 BFED CCN(CC)/C(N)=N/Cc1cc2ccccc2o1 303867578 CZEAFUBJKGALKH-UHFFFAOYSA-N 245.326 2.589 30 20 BFED CCN(C[C@H](C)C#N)C[C@@H](O)c1ccc(C)cc1 304319304 PTUDWUKVROFJJX-UKRRQHHQSA-N 246.354 2.510 30 20 BFED CC[C@@](C)(C#N)C(=O)N1CCC2(CCCC2)C1 306054098 QKCCRYPGLLQDBK-ZDUSSCGKSA-N 234.343 2.719 30 20 BFED Cc1cc(N2CCSC(C)(C)C2)cc(C#N)n1 308278137 KRQOYMQHXKIVJU-UHFFFAOYSA-N 247.367 2.594 30 20 BFED CCc1nc(C#N)cc(NCC2CCCC2)n1 308310595 RKPYZQFVNRRZBB-UHFFFAOYSA-N 230.315 2.513 30 20 BFED N#Cc1ccc(CN[C@H]2CCC(F)(F)C2)s1 309589086 XXWOOTIIWABRBT-QMMMGPOBSA-N 242.294 2.897 30 20 BFED C=C(CC)CNc1ncc(C)cc1[N+](=O)[O-] 313495087 WHPCDFFEFRAHQN-UHFFFAOYSA-N 221.260 2.676 30 20 BFED C=CC[C@H](CC)NC[C@@H](O)c1ccccc1 313565683 LBENZPRFQRHIAC-UONOGXRCSA-N 219.328 2.664 30 20 BFED COc1nnccc1N=C(O)[C@H]1CCC[C@H](C)C1 329563146 GQXHVNRRBVEICR-UWVGGRQHSA-N 249.314 2.900 30 20 BFED CC(C)(C#N)CCCN[C@H]1CCC[C@@H]1C#N 330364154 FYFQLOSUGWZPCC-NEPJUHHUSA-N 219.332 2.598 30 20 BFED CC1(C#N)CN(c2nc(C3CCCC3)ns2)C1 333768118 DWFMGQJETRWKHN-UHFFFAOYSA-N 248.355 2.546 30 20 BFED C[C@H]1CC[C@@H](C(=O)Nc2sccc2C#N)C1 334400150 FNRHVSWIEUGHBA-DTWKUNHWSA-N 234.324 2.994 30 20 BFED C=C[C@H]1CCCCN1C(=O)[C@H]1CC=CCC1 334644256 SSNKAVBDDLTVEY-STQMWFEESA-N 219.328 2.910 30 20 BFED C[C@H]1c2ccsc2CCN1C(=O)CCCC#N 334799433 JDIFRYRTYNKHRD-JTQLQIEISA-N 248.351 2.888 30 20 BFED C=CCNC(=O)Nc1ccc2c(c1)CCCC2=O 335230770 IKGXTIMIXXYILV-UHFFFAOYSA-N 244.294 2.513 30 20 BFED C=C(C)CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 335721736 NKNWTNKQQJUQPA-CHWSQXEVSA-N 221.344 2.596 30 20 BFED Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1F 335857237 LHYMPCUPKKXTBP-YPMHNXCESA-N 232.302 2.916 30 20 BFED CC1(C)CCN(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 336033054 KMOMXALZQKMSJC-NEPJUHHUSA-N 249.358 2.510 30 20 BFED C=CCCCCCN[C@H]1CCC[C@H]1CCO 336688247 UYUZSCKAJRLPES-KBPBESRZSA-N 225.376 2.874 30 20 BFED C=C(C)COCCNCc1ccsc1C 336712235 UWAQLVIHPGTJBW-UHFFFAOYSA-N 225.357 2.739 30 20 BFED C=CC[C@H](CC)NC(=O)C1[C@H]2CCC[C@H]12 337104343 YMPMADZWOGPJQA-DCAQKATOSA-N 207.317 2.503 30 20 BFED C=CCOCCN[C@@H]1CCCC[C@H]1SCC 339091848 NLIQBIJDTWINKP-CHWSQXEVSA-N 243.416 2.843 30 20 BFED Cc1cc(OCCN(C)CC#N)ccc1C(C)C 340635692 ZJVLIARPKVNMPW-UHFFFAOYSA-N 246.354 2.953 30 20 BFED CN(Cc1ccc(CC#N)cc1)CC1CCC1 343525825 KLXSUVXVSWHPOC-UHFFFAOYSA-N 228.339 2.985 30 20 BFED C=CCOCC(=O)N[C@H](C)CCC(C)(C)C 345921828 FCCVHPOBNSNRHV-LLVKDONJSA-N 227.348 2.520 30 20 BFED CC[C@H](NC(=O)CC(C)(C)C#N)c1ccncc1 346084407 GLAYONKNOODTOR-LBPRGKRZSA-N 245.326 2.589 30 20 BFED COC1CC(N[C@@H](CCC#N)c2ccccc2)C1 347418269 KOKSWPCNZZFIOR-NRXISQOPSA-N 244.338 2.798 30 20 BFED C=C(C)COc1cc(N(C)C)cc(N(C)C)c1 352161695 DEIQSRVDEKMYOV-UHFFFAOYSA-N 234.343 2.774 30 20 BFED C=C(C)CCN1CCO[C@@]2(C[C@H]3CC[C@H]2C3)C1 352420686 FOXZSZFXJJTIDU-KKUMJFAQSA-N 235.371 2.844 30 20 BFED C=CCC(C)(C)CNC(=O)[C@H](C)CCCOC 352546174 QUNJVLMLLMBVAW-GFCCVEGCSA-N 241.375 2.768 30 20 BFED CCCC[C@H](C)C(=O)N(C)CC(C)(C)C#N 353247119 QKKRECHSXPQBPC-NSHDSACASA-N 224.348 2.821 30 20 BFED CC[C@H](C)[C@@H](OC)C(=O)Nc1ccc(C#N)cc1 353827795 PXNGOXLUUIVWJV-GXFFZTMASA-N 246.310 2.558 30 20 BFED C=CCC(C)(C)C(=O)N[C@@H]1CCC1(C)C 354579968 NAEZEBNKMONEHC-SNVBAGLBSA-N 209.333 2.894 30 20 BFED C=C(CC)CN1CCC[C@@H](Cc2nccn2C)C1 358837735 YYQOINNPSUJVQA-AWEZNQCLSA-N 247.386 2.641 30 20 BFED C=C(CC)CN1CC[C@@H](C2CCOCC2)C1 358881465 YGMBXXQCSNTPSZ-CQSZACIVSA-N 223.360 2.701 30 20 BFED CC[C@@](C)(C#N)C(=O)N1CC[C@H](CC2CC2)C1 359739004 YVPZTSBIYXAPEC-OCCSQVGLSA-N 234.343 2.575 30 20 BFED C=CCN1CCN(C2CC2)c2cc(F)ccc21 360483241 MODCAXBWKKUAPK-UHFFFAOYSA-N 232.302 2.801 30 20 BFED COCCN(CCCCC#N)[C@@H]1CC[C@H](C)C1 362161370 JHECYYNUDJAAKM-UONOGXRCSA-N 238.375 2.817 30 20 BFED CC(C)CC1(C(=O)N(C)CCC#N)CCC1 362498884 RYAOUSUGRSDJSC-UHFFFAOYSA-N 222.332 2.575 30 20 BFED C=CCN(c1ccc([N+](=O)[O-])c(OC)c1)C1CC1 362648056 JKUDQRCCHZWXGY-UHFFFAOYSA-N 248.282 2.758 30 20 BFED C=CCCC[C@H](C)NC(=O)c1ccc(C(C)=O)o1 362736654 MZYJHFJDYLECGZ-JTQLQIEISA-N 249.310 2.957 30 20 BFED C=C(Cl)CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 377773265 GKLYOZJCTGMJBM-NWDGAFQWSA-N 241.762 2.772 30 20 BFED CCCCC(=O)N1CCC(CCC#N)CC1 399274951 CPMQHRRHGNUALZ-UHFFFAOYSA-N 222.332 2.719 30 20 BFED C=CCC(CC=C)C(=O)N[C@@H]1CS[C@H](C)C1 412588647 FESDFSQOHVHUCR-PWSUYJOCSA-N 239.384 2.765 30 20 BFED C=C[C@H](C)NC(=O)N1CC[C@@H](C2CCCC2)C1 420797552 AGKZHEWGHISISH-WCQYABFASA-N 236.359 2.783 30 20 BFED C=CC[C@@H](CO)CNCc1cccc(C2CC2)c1 421343874 RAPHQVZWCLMBEN-CQSZACIVSA-N 245.366 2.838 30 20 BFED N#CCCNCc1cc(C(F)(F)F)ccc1F 425995681 WRMDYICMBMFTSY-UHFFFAOYSA-N 246.207 2.848 30 20 BFED C[C@H](CCC#N)N[C@H](C)[C@H]1COc2ccccc21 428276429 LIZKKJAQXXZDHF-YRGRVCCFSA-N 244.338 2.833 30 20 BFED Cc1c(C#N)cccc1NC(=O)C1CCC1 431836379 QYXXHMQCOWRLNC-UHFFFAOYSA-N 214.268 2.605 30 20 BFED C=C[C@@](C)(CC)C(=O)NC[C@H](C)C(F)(F)F 442800216 LVUPKZYOTQJCEM-WPRPVWTQSA-N 237.265 2.903 30 20 BFED Cc1cnc([C@H](C)CN[C@H]2CC[C@@H](C#N)C2)s1 442836689 OMOCQXVVBYSOOV-JLLWLGSASA-N 249.383 2.837 30 20 BFED Cc1ccc(F)c(CCN[C@H]2CC[C@H](C#N)C2)c1 449554334 PDFGRYWXBICUFU-JSGCOSHPSA-N 246.329 2.959 30 20 BFED C=CC(C)(C)C(=O)N[C@H]1CCC[C@H]1SCC 450084505 DPQCDNPWTPDTMA-WDEREUQCSA-N 241.400 2.989 30 20 BFED C=CCN(CCN(C)Cc1ccccc1)C1CC1 450643338 KCUUPRPIVBTRKI-UHFFFAOYSA-N 244.382 2.769 30 20 BFED C=CC(C)(C)C(=O)N[C@H](C)CC(F)(F)F 450656421 ZEUZDRCGGGZNLG-SSDOTTSWSA-N 223.238 2.656 30 20 BFED C=CC(C)(C)CN=c1ccc2c([nH]1)CCCC2=O 450729845 RGTFWMFOPDIOEM-UHFFFAOYSA-N 244.338 2.647 30 20 BFED C=CC(C)(C)C(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 452147128 JCQBEHYBWOQZEB-ZDEQEGDKSA-N 233.355 2.703 30 20 BFED N#C[C@H]1CC[C@H](NCCC2CC(F)(F)C2)C1 453435028 UFPJEXAALBYZMI-ONGXEEELSA-N 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30 20 BFED N#Cc1cccc(N(C(=O)C2CC2)C2CCC2)c1 1119426830 VFQWEPLXRAHAEE-UHFFFAOYSA-N 240.306 2.854 30 20 BFED C=CC[C@H](N[C@@H]1CCC[C@H](C(C)C)C1)C(=O)O 1119535967 CERHVMFEPOPBGY-XQQFMLRXSA-N 239.359 2.820 30 20 BFED C=C[C@@H](C)NC[C@H](O)c1ccc(F)cc1Cl 1120582569 IMRPDQBDQHLNQR-PELKAZGASA-N 243.709 2.677 30 20 BFED CC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2F)C1 1120621200 RNNABXDPFFZQSF-SNVBAGLBSA-N 246.285 2.569 30 20 BFED CN(Cc1cccs1)c1ncc(C#N)cc1F 1184766279 CRMONCLBXASAMZ-UHFFFAOYSA-N 247.298 2.790 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)c1cc(C)no1 1262809537 IBOQLIJNPMVKRO-LLVKDONJSA-N 234.299 2.554 30 20 BFED C=CC(C)(C)CC(=O)Nc1ccc(C#N)c(C)n1 1331354173 PGDHOUDRUNWZCN-UHFFFAOYSA-N 243.310 2.803 30 20 BFED C#Cc1ccc(NC[C@]2(C)CCCS2)nc1 1336545258 VSBHLSNHFCTPCK-ZDUSSCGKSA-N 232.352 2.761 30 20 BFED C#Cc1ccc(N2CCCC[C@H]2CC)nc1 1336946766 RUWHGEYHJDKTOY-CYBMUJFWSA-N 214.312 2.832 30 20 BFED C=C(C)CCC(=O)Nc1ccc(F)c(F)c1O 1337254404 RHBHZVJNEBUATR-UHFFFAOYSA-N 241.237 2.965 30 20 BFED C=CCC[C@@H]1CCCN1c1cc(C#N)nc(C)n1 1339872929 TWFMGWJHTOCWOR-CYBMUJFWSA-N 242.326 2.592 30 20 BFED COc1ccc(C=NOC(C)(C)C)c(O)c1 1341311541 YWNRHKWBYUIJEJ-UHFFFAOYSA-N 223.272 2.550 30 20 BFED C/C(=C\C(=O)OC(C)(C)C#N)c1cccs1 1342717047 MNNGFPTZNXFFNK-VQHVLOKHSA-N 235.308 2.997 30 20 BFED C=CCC[C@H]1CCCN1C(=O)NCC(C)(F)F 1343487732 OIFBQJGVZQNAGH-JTQLQIEISA-N 246.301 2.782 30 20 BFED C=C(CC)C(=O)Nc1ccc(SC)cn1 1346515817 CPWFPEPZOJQKJN-UHFFFAOYSA-N 222.313 2.708 30 20 BFED Cc1c(C#N)cccc1NC(=O)NC/C=C\Cl 1465873463 YAFSAIZZLQINDZ-UTCJRWHESA-N 249.701 2.741 30 20 BFED C=C(CC)C(=O)Nc1cccc([N+](=O)[O-])c1C 1518759448 CVFIZAOLSJPRFC-UHFFFAOYSA-N 234.255 2.808 30 20 BFED N#Cc1ncccc1SCCc1cscn1 1559412398 KMNCIIBPQKSNOY-UHFFFAOYSA-N 247.348 2.745 30 20 BFED C=C(C)CCC(=O)Oc1ccc(C)cc1C(=O)O 1588560006 XWGJSOBBGITNCQ-UHFFFAOYSA-N 248.278 2.955 30 20 BFED O=C(O)c1coc(C(=O)/C=C/c2ccsc2)c1 1610866483 UAXNJFPHRFSNMR-OWOJBTEDSA-N 248.259 2.935 30 20 BFED C[C@H]1[C@H](C)CCC[C@H]1NCc1cc(C#N)ccn1 1645352059 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Cc1[nH]ncc1CCCNc1ccc(C#N)cc1 47852621 CTTQJPBTLFATSS-UHFFFAOYSA-N 240.310 2.635 30 20 BFED CCC(C#N)(CC)C(=O)N1CC[C@@H](C)C[C@H]1C 51733881 RONQISUTWHXPAF-VXGBXAGGSA-N 236.359 2.963 30 20 BFED N#CCOc1cccc(NCc2cncs2)c1 54770897 JGAGJUXPMJPMTL-UHFFFAOYSA-N 245.307 2.658 30 20 BFED C=CCN(C)Cc1ccc(OCC)c(OC)c1 72801807 ZZZNTGZZKMNCFY-UHFFFAOYSA-N 235.327 2.712 30 20 BFED N#Cc1ccc(NCCOC2CCC2)c(F)c1 78517122 RVYPTSQIQSWAIN-UHFFFAOYSA-N 234.274 2.678 30 20 BFED Cc1ncccc1C(=O)Nc1ccccc1C#N 82338396 INBUFUDAEUNBPK-UHFFFAOYSA-N 237.262 2.514 30 20 BFED C=C(C)CN1CCc2c(F)ccc(F)c2C1 84136521 POXWHHZXACDGBT-UHFFFAOYSA-N 223.266 2.899 30 20 BFED Cc1cccc([C@H](C)N[C@H](C)CC#N)c1 88162298 FCJURMNOITUWQF-NEPJUHHUSA-N 202.301 2.948 30 20 BFED COCCCCNc1ccc(F)c(C#N)c1 89660116 FJZQZJRKKWLVNP-UHFFFAOYSA-N 222.263 2.536 30 20 BFED CCC[C@@H](C#N)NC(=O)c1ccccc1SC 92212990 OCGWEZPBWWSZQQ-JTQLQIEISA-N 248.351 2.831 30 20 BFED CCc1nsc(Oc2cccc(F)c2C#N)n1 92688657 XWQUHZGEBHGDJP-UHFFFAOYSA-N 249.270 2.904 30 20 BFED N#Cc1ccc(NCc2ccco2)cc1[N+](=O)[O-] 94591523 LMPUZVQDTYEIMP-UHFFFAOYSA-N 243.222 2.672 30 20 BFED N#Cc1oc2cccc(Br)c2c1N 95929656 BTPFPMDVBUFFHO-UHFFFAOYSA-N 237.056 2.649 30 20 BFED C#CCCOC(=O)Cc1c[nH]c2cccc(C)c12 103645755 QTSXRPNHTXUUCH-UHFFFAOYSA-N 241.290 2.585 30 20 BFED C=C(C)CNCc1ccc(OCC(F)F)cc1 119651951 WSMMQYYBGXEAKI-UHFFFAOYSA-N 241.281 2.996 30 20 BFED C[C@H](/N=C/c1ccccc1O)C1CCOCC1 122894284 CSRRQDCELNGQPB-KBVGCWLLSA-N 233.311 2.626 30 20 BFED C=CCC[C@@H](C)NC[C@@H](CC(C)C)N(C)C 126749117 NFWYREOMCWYWCZ-ZIAGYGMSSA-N 226.408 2.907 30 20 BFED C=CCC[C@@H](O)CN1[C@H](C)CCC[C@H]1C 126976097 NBCDJPJTUAWALJ-JHJVBQTASA-N 211.349 2.576 30 20 BFED C[C@@H](C1CC1)N(C)CC#Cc1ccc(F)cc1 127512881 KMPNZGRWGVDZLJ-LBPRGKRZSA-N 231.314 2.908 30 20 BFED C=C[C@@H](C)NCc1ccc2ncccc2c1 130429351 VPDDXENCQMDZRS-LLVKDONJSA-N 212.296 2.899 30 20 BFED Cc1cc(CNCC(C)(C)C#N)c(C)o1 134975503 IPOWBVGOMBTAHA-UHFFFAOYSA-N 206.289 2.536 30 20 BFED CC(C)(C#N)CCCN1CCOCC12CCC2 135496272 AQHRAECCLVGOSF-UHFFFAOYSA-N 236.359 2.571 30 20 BFED C#CCN(CC)C(=S)Nc1ccc(C)cc1C 138922231 FZJVWVTVGRRUCA-UHFFFAOYSA-N 246.379 2.955 30 20 BFED CCC(CC)(CC)CNC(=O)C(C)(C)C#N 150863393 IPCBDAPDRANKMJ-UHFFFAOYSA-N 224.348 2.869 30 20 BFED C=C[C@H](C)NC(=O)c1cccc(SCC#N)c1 153850030 IAFQIJJGXVGBDW-JTQLQIEISA-N 246.335 2.607 30 20 BFED CC#CCCN1CCS[C@@H]2CCCC[C@@H]21 156009598 ZLSJRLCOEXIDAG-QWHCGFSZSA-N 223.385 2.760 30 20 BFED N#CCCCCN1CCC[C@@H](N2CCCC2)CC1 157495299 MITZZPBHSBJFAC-OAHLLOKOSA-N 249.402 2.631 30 20 BFED CC#CCCN[C@H]1CCc2ccc(OC)cc2C1 158354779 UGRXFCZURCQLKV-HNNXBMFYSA-N 243.350 2.556 30 20 BFED CC(C)[C@@H]1CCC[C@H](Nc2ccc(C#N)nn2)C1 159332804 NANDKJNAJBSCIA-NEPJUHHUSA-N 244.342 2.975 30 20 BFED CN(C)/C=C1/CC2(CCCC2)CCC1=O 161391182 UZWURDXGOXFVIH-KHPPLWFESA-N 207.317 2.745 30 20 BFED C#CCCCOc1ccc2c(c1)CCCC2=O 169038889 WHRDILHDBDLNKG-UHFFFAOYSA-N 228.291 2.998 30 20 BFED N#CCC(=O)NC1(c2ccc(F)cc2)CCCC1 169807392 UXNVMDLPGLJAMV-UHFFFAOYSA-N 246.285 2.625 30 20 BFED C=CCCN(C)Cc1ccc(OC)cc1OC 172619123 CECBCSLTJLDVNZ-UHFFFAOYSA-N 235.327 2.712 30 20 BFED CCC(CC)CN(CCC#N)CC(F)F 173553705 FGGODGQNZRQMIO-UHFFFAOYSA-N 218.291 2.903 30 20 BFED C=CCCCC(=O)Nc1c(C)noc1CC 179015261 GZAOHJADQTYDED-UHFFFAOYSA-N 222.288 2.840 30 20 BFED Cc1cccc(OCc2ccc(C#N)cc2)n1 181793557 VRWLPQZRCWPJJX-UHFFFAOYSA-N 224.263 2.841 30 20 BFED CC[C@@H](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC1 182222417 YOJPBWROUDSFLR-GHMZBOCLSA-N 222.332 2.573 30 20 BFED C=C(C)CN(CC)C(=O)[C@H]1CCO[C@@H](CC)C1 182808310 VKBFOOFRUJOXPA-STQMWFEESA-N 239.359 2.616 30 20 BFED C=CCC[C@@H](O)CN1CCc2c(F)cccc21 184043644 SUZJYIDVYMFOBH-LLVKDONJSA-N 235.302 2.515 30 20 BFED C#C[C@H](C)NC(=O)N[C@@H](C)c1cc(C)cc(C)c1 186100317 MCKAJJRSBQCQPK-STQMWFEESA-N 244.338 2.685 30 20 BFED C=C(C)[C@H](NCCOC)c1ccc(F)c(F)c1 187763823 JOKMUZDQUJWAOI-ZDUSSCGKSA-N 241.281 2.818 30 20 BFED C=C[C@](C)(CC)C(=O)N(C)c1nccs1 188594651 ZUMIDLDWKCVMFO-LLVKDONJSA-N 224.329 2.708 30 20 BFED Cn1cc(CN[C@@H]2CCCCC2(C)C)cc1C#N 189596025 WHESMNXEWHCGQR-CQSZACIVSA-N 245.370 2.955 30 20 BFED C=CCOC(=O)C1(Cc2ccccc2F)CC1 189606393 VWQKAHAKLLDPEA-UHFFFAOYSA-N 234.270 2.878 30 20 BFED C#CCCCN[C@H]1CCc2ccc(OC)cc2C1 229212778 PAKIGPPZEMBMDP-HNNXBMFYSA-N 243.350 2.556 30 20 BFED C#CCCCCNc1ncc([N+](=O)[O-])cc1C 229738287 NALNFKMRXXAEIF-UHFFFAOYSA-N 233.271 2.514 30 20 BFED C=C(C)COCCNc1ccnc(Cl)c1 230218451 HIZFXJRCAGMMCU-UHFFFAOYSA-N 226.707 2.740 30 20 BFED C=C(Cl)CN1C[C@@H](C)NCc2ccccc21 230231788 UJCQSAFQYJRASJ-LLVKDONJSA-N 236.746 2.737 30 20 BFED Cc1nc(C#N)cc(Oc2ccc(F)cc2F)n1 260054630 JORPPRCEYCWKPN-UHFFFAOYSA-N 247.204 2.727 30 20 BFED C=C1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 264166323 LBKRAOYGENBMFA-CYBMUJFWSA-N 245.322 2.633 30 20 BFED C=CC[C@H](C)NC(=O)CCOc1ccccc1 265322304 IXXHNUUZOHRVAP-LBPRGKRZSA-N 233.311 2.536 30 20 BFED C#CCCN1CC[C@H](c2ccccc2)[C@H]1C 270471323 BMEQGSMJZJKZRY-HIFRSBDPSA-N 213.324 2.888 30 20 BFED C#CCCN(C)[C@H](C)c1sc(C)nc1C 270617033 OHFUQBCREKVWBW-SNVBAGLBSA-N 222.357 2.776 30 20 BFED 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WOQYPIVPHLUTDW-UHFFFAOYSA-N 233.359 2.866 30 20 BFED CC(=NO[C@H]1CCCCO1)c1cnccc1C 771557793 NAOIDLZNZFKHKD-ZDUSSCGKSA-N 234.299 2.657 30 20 BFED CC(=NNC1CCCC1)c1ccc(Cl)cn1 774385221 MMPIZZNWQIPQNR-UHFFFAOYSA-N 237.734 2.991 30 20 BFED CCC(CC)CNN=C(C)c1ccncc1 774477270 KSZRCOPXBRAZED-UHFFFAOYSA-N 219.332 2.831 30 20 BFED C#C[C@H](N[C@@H]1CCC[C@H](C2CC2)C1)[C@H]1CCCO1 775573668 IPPSNISDQRTUBA-XUWVNRHRSA-N 247.382 2.726 30 20 BFED CC(=NNc1cc(Cl)ccn1)[C@@H]1CCOC1 777905994 OGUWUKLCTCZBAG-SECBINFHSA-N 239.706 2.559 30 20 BFED C=CCS(=O)(=O)[C@H](CC)c1ccccc1 779367113 NKQVYDCKWSOWAI-GFCCVEGCSA-N 224.325 2.739 30 20 BFED COc1ccc(O)c(/C=N/C[C@@H]2CCC=CO2)c1 780150483 VEAJFROKABEOIH-NCPSJORJSA-N 247.294 2.512 30 20 BFED C=C(C)CNC(=S)N[C@@H]1CCCC(C)(C)C1 785469685 QPJCZUCDMMRYSW-LLVKDONJSA-N 240.416 2.995 30 20 BFED C=C[C@](C)(CC)C(=O)OCCCCCOC 785760441 BWKWTQPGXIHDHP-CYBMUJFWSA-N 228.332 2.949 30 20 BFED C=C[C@H](C)NC(=O)Nc1cc(C)cnc1Cl 787445101 IMEFMPRTFZCKPF-QMMMGPOBSA-N 239.706 2.739 30 20 BFED CCCC[C@H]1CCCC1=NN[C@@H]1CCOC1 788452146 KIJCQFSTRZMGLW-NWDGAFQWSA-N 224.348 2.711 30 20 BFED COc1cc(C#N)cc(OC[Si](C)(C)C)c1 792668204 CSKPBQCRLSAOAK-UHFFFAOYSA-N 235.359 2.823 30 20 BFED CC[C@H](C)CON=C1CCO[C@@H](CC)C1 793158179 DLOAWHOKMPHLNG-JQWIXIFHSA-N 213.321 2.994 30 20 BFED CC(C)n1nccc1C=NNCc1ccccc1 794484634 WRGLOIOKRBLYNV-UHFFFAOYSA-N 242.326 2.588 30 20 BFED C#CCCOc1ccc(F)cc1-c1ccnn1C 794727427 ASKIVFUQNDNLSU-UHFFFAOYSA-N 244.269 2.628 30 20 BFED CC#CC(=O)N1CCCCC[C@H]1CC(C)C 801160055 SDYZWBUBFKGAJW-ZDUSSCGKSA-N 221.344 2.827 30 20 BFED Cc1cccc([C@@H](C)NCCO[C@H](C)C#N)c1C 801939416 OTJAGIFJBNTUFT-TZMCWYRMSA-N 246.354 2.883 30 20 BFED C[C@@H](C#N)OCCSCCCC(C)(C)C#N 802752760 UKKHSEADGVMHAN-NSHDSACASA-N 240.372 2.978 30 20 BFED C[C@@H]1CC(=NNCC(C)(C)CO)c2ccccc21 807986423 ITCZAAGASVKBCP-LLVKDONJSA-N 246.354 2.506 30 20 BFED C(=Nn1cnnc1)c1ccc(C2CCCC2)cc1 812222182 IQRQOXYVMVPQSP-UHFFFAOYSA-N 240.310 2.818 30 20 BFED N#CCCCC(=O)Oc1cccc2ncccc12 812905332 OOYKOJYHMMJJPZ-UHFFFAOYSA-N 240.262 2.834 30 20 BFED Cc1ccc(O)c(C=NOCCC2CC2)c1 814245391 QYPKVGHEZLRJGK-UHFFFAOYSA-N 219.284 2.851 30 20 BFED Cn1ncc(C=NNc2ccccc2)c1Cl 814684308 MPPHDDZJCSOOPO-UHFFFAOYSA-N 234.690 2.520 30 20 BFED C#C[C@@H](C)N[C@@H](C)Cc1coc2ccccc12 824363951 NEGVDLYPOVTXJL-NEPJUHHUSA-N 227.307 2.975 30 20 BFED CC(C)C#CC(=O)N1CCC[C@H]1CC(C)C 824950439 SRWQDGJUUOYWAW-ZDUSSCGKSA-N 221.344 2.683 30 20 BFED CCOCCON=C1CCC(CSC)CC1 834969155 KSFIFTSCOWQPDT-UHFFFAOYSA-N 245.388 2.949 30 20 BFED CC[C@@](C)(C=NNc1cc(Cl)ccn1)OC 834969906 JNEHEWVGNDPJLX-NSHDSACASA-N 241.722 2.948 30 20 BFED CCOC(=O)C(C)(C)ON=C[C@H]1CC[C@H](C)C1 835006091 MVJPEILTUVMTCM-QWRGUYRKSA-N 241.331 2.767 30 20 BFED C[C@@H]1CCCC[C@@H]1C=NN[C@@H]1CCOC1(C)C 835015046 AUIBADHSGWQKKW-JHJVBQTASA-N 238.375 2.956 30 20 BFED CCC(CC)CCOC(=O)c1ccc(C#N)n1C 835267085 HIBIDIMGYUZMJD-UHFFFAOYSA-N 248.326 2.880 30 20 BFED CC#CCCOC(=O)[C@@H]1CCCCC1(F)F 835285561 HTEPBXYYIMAGMS-JTQLQIEISA-N 230.254 2.769 30 20 BFED C#CCCCCC(=O)N1C[C@H](C2CC2)[C@@H]1C1CC1 836885082 KNVWSWBCJFXLEV-ZBFHGGJFSA-N 245.366 2.827 30 20 BFED Cc1cc(NC(=O)C#CC2CC2)c(C)c(C)c1O 837539062 VPOARABELPKVJL-UHFFFAOYSA-N 243.306 2.669 30 20 BFED CS[C@H](C)CC(=O)O[C@@H]1CCC[C@@H](C#N)C1 839054451 LOAXEGCFRKZZQG-GMTAPVOTSA-N 241.356 2.754 30 20 BFED C#C[C@H](NC(=O)/C=C(\C)CC)c1ccccc1 843643047 ZSVITYCLHKZPMD-GETOMWPZSA-N 227.307 2.833 30 20 BFED CC(C)(C)C#CC(=O)Nc1cc2cc[nH]c2cn1 848255511 XFCIJFOFOWYUGO-UHFFFAOYSA-N 241.294 2.551 30 20 BFED CC#CCCOC(=O)C1CCC2(CC1)CC2 850266686 IBPHXFHHWIEKDQ-UHFFFAOYSA-N 220.312 2.913 30 20 BFED C=CC(C)(C)CCOC(=O)CCc1cncnc1 851299972 HHSGUTUYPHUPOD-UHFFFAOYSA-N 248.326 2.555 30 20 BFED C#CCOCCOc1ccc(Cl)c(C)c1 853012848 KGBBZDBJZFVQMN-UHFFFAOYSA-N 224.687 2.677 30 20 BFED CCc1nc(C=NN2CCCC[C@H]2C)cs1 853379689 LRIWRLCSUMHQHR-SNVBAGLBSA-N 237.372 2.914 30 20 BFED Cc1oncc1CSCC1(C#N)CCC1 853776839 WQQDQEDISUJXIA-UHFFFAOYSA-N 222.313 2.910 30 20 BFED CC(C)C#CC(=O)N1CCc2sccc2[C@@H]1C 854301153 JKGWVQMSOGIMSQ-NSHDSACASA-N 247.363 2.853 30 20 BFED CC[C@@H](NC(=O)C#CC(C)C)C1CCCC1 854854285 RLKKIITXPBZPGU-CYBMUJFWSA-N 221.344 2.731 30 20 BFED N#Cc1cc(F)ccc1CN(C1CC1)C1CC1 859622328 FTNJFKSPPKDPKV-UHFFFAOYSA-N 230.286 2.824 30 20 BFED CCCCCCCNC(=O)c1c[nH]nc1CC 862360536 PHJZFGPLHVIWAI-UHFFFAOYSA-N 237.347 2.672 30 20 BFED CCCNN=Cc1c(C)ccc([N+](=O)[O-])c1C 872341682 HAKULKBSYARLMH-UHFFFAOYSA-N 235.287 2.545 30 20 BFED c1cnc2c(c1)C(=NNC1CCCC1)CCC2 872347909 HYACIBRJBHVFTG-UHFFFAOYSA-N 229.327 2.654 30 20 BFED N#CC1(CNCc2cccc(Cl)c2N)CCC1 877595251 WHEBRKOBCRAARE-UHFFFAOYSA-N 249.745 2.706 30 20 BFED C=CCC(C)(C)C(=O)N1CCC(F)CC1 881612557 FDOVWPUIZPGYQS-UHFFFAOYSA-N 213.296 2.549 30 20 BFED Cc1ccc(N2C[C@H](C)S[C@H](C)C2)c(C#N)n1 882028543 XLFDTHGEVRNQPK-PHIMTYICSA-N 247.367 2.592 30 20 BFED C=CC(C)(C)CC(=O)Nc1ccc(CN)cc1 884253718 SARYDLKRAWSKJP-UHFFFAOYSA-N 232.327 2.686 30 20 BFED C=CCC1(NC(=O)Nc2conc2C)CCCC1 888720631 LEKLPFQWFMGOTB-UHFFFAOYSA-N 249.314 2.993 30 20 BFED Cc1cc(C#N)nc(N2CCC[C@@H](C)CC2)c1 892100113 CFPRNNZTNGVUFO-LLVKDONJSA-N 229.327 2.888 30 20 BFED C=CCC[C@H](CCC)N[C@@H](C)c1n[nH]c(C)n1 894774902 ZTJPLFFEYZJJIS-JQWIXIFHSA-N 236.363 2.899 30 20 BFED C=CCCCC[C@@H](C)NC[C@@H]1CC(C)=NO1 895299236 AFBXKIBAPLIUBZ-YPMHNXCESA-N 224.348 2.876 30 20 BFED C#Cc1ccc(C(=O)N2CC(C)(CC)C2)cc1 897809426 UONAFONMJSKDCD-UHFFFAOYSA-N 227.307 2.540 30 20 BFED C=C1CN(C(=O)c2cccc3c(C)c(C)[nH]c23)C1 898693650 XQGJNIKOGMOJLI-UHFFFAOYSA-N 240.306 2.797 30 20 BFED C[C@@H](C#N)N(C)C(=O)c1ccsc1C(F)F 905727450 DWBAHMHZILOIEO-LURJTMIESA-N 244.266 2.670 30 20 BFED C=CCCC[C@@H](N)C(=O)Nc1ccc(C)c(C)c1 911904628 YTBOFZVXHOOKAS-CQSZACIVSA-N 246.354 2.926 30 20 BFED CC(=NNc1cnccn1)c1cccc(C)c1 912961630 JFQVSYQHERCRIE-UHFFFAOYSA-N 226.283 2.621 30 20 BFED CCC[C@H](C)NC(=O)c1ccccc1OCC#N 919806254 SYKGMYJSHDWESI-NSHDSACASA-N 246.310 2.507 30 20 BFED CC(C)(C)[C@H](NCc1ccc(C#N)cn1)C1CC1 926229572 ZCIAMLHRJDTZER-CQSZACIVSA-N 243.354 2.868 30 20 BFED C#CCN(C(=O)C[C@H]1CC[C@H](C)C1)C(C)C 928627326 RNSVBKFSYDXIMJ-STQMWFEESA-N 221.344 2.683 30 20 BFED CCN(C[C@H](C)C#N)C[C@H](O)c1cccc(C)c1 929428917 INDWVONQFDGSOE-HIFRSBDPSA-N 246.354 2.510 30 20 BFED C=C1CCC(C(=O)NC2(CC)CC2)CC1 1119504528 GZSGGTLOZJFUAX-UHFFFAOYSA-N 207.317 2.792 30 20 BFED Cc1ccc(C=NNCC2CCOCC2)cc1C 1318885300 CXCVNODIQZGIMY-UHFFFAOYSA-N 246.354 2.654 30 20 BFED C#CCN(CC1CC1)C(=O)/C=C(/C)C(C)(C)C 1319676227 SHBLTSXYUSULOY-BENRWUELSA-N 233.355 2.851 30 20 BFED CC[C@H]1C[C@@H](C)CN1C(=O)c1csc(C#N)c1 1324707608 DXOKKFJWMHIYSF-KOLCDFICSA-N 248.351 2.880 30 20 BFED CC(C)CNN=CC1Cc2ccccc2C1 1326408765 RWSSVWUSYRBPMP-UHFFFAOYSA-N 216.328 2.633 30 20 BFED C=C(C)CCNC(=O)C(C)(C)Oc1ccccc1 1328069169 XOSIIUSOIZZUOL-UHFFFAOYSA-N 247.338 2.926 30 20 BFED C=C1CCC(C(=O)NC/C=C/C2CC2)CC1 1331975302 NMZOKIHILJUZLZ-NSCUHMNNSA-N 219.328 2.815 30 20 BFED C=C(C)C(C)(C)C(=O)NCCCC(F)F 1340134039 SZPLWUAYURACGZ-UHFFFAOYSA-N 219.275 2.750 30 20 BFED CCn1ccnc1[C@@H](C#N)C(=O)C(C)(C)CC 1347338404 RHCBJSAAABUNDJ-JTQLQIEISA-N 233.315 2.515 30 20 BFED C=C(CC)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 1347671407 OWPINGLYGNMVOE-MFKMUULPSA-N 220.316 2.541 30 20 BFED C=CCOCSc1nnc(NC(C)C)s1 1351771632 ODWKZOZVXDVDIR-UHFFFAOYSA-N 245.373 2.611 30 20 BFED C=C[C@@H](CC)OC(=O)c1cn2cc(C)ccc2n1 1524761335 GEXUFCLTGGPVEY-NSHDSACASA-N 244.294 2.764 30 20 BFED C=CCC[C@@H](C)OC(=O)[C@@H]1CCO[C@@H]1C(=C)C 1524789368 ZWZIBPSQHJTQAQ-JHJVBQTASA-N 238.327 2.866 30 20 BFED C=C(CC)C(=O)Nc1cccc(OCCOC)c1 1527466826 KEGPIGJSGGYUHR-UHFFFAOYSA-N 249.310 2.617 30 20 BFED C=C[C@H](Nc1ccc2sc(C)nc2c1)C(=O)O 1588702516 SHPHNHAUKFSDDQ-VIFPVBQESA-N 248.307 2.656 30 20 BFED C=CC[C@@H]1CCCN(Cc2ccc(C(=O)O)[nH]2)C1 1588772378 DVPCLVZOQQNCQQ-LLVKDONJSA-N 248.326 2.501 30 20 BFED C=CC[C@@H](CC)Nc1ccc(C)c(C(=O)O)n1 1602837533 ZUCVCKWQOHJDGN-SNVBAGLBSA-N 234.299 2.855 30 20 BFED C=CCC[C@H]1CCCN1Cc1ccoc1C(=O)O 1776170871 WYAUXXALUSUGNB-LBPRGKRZSA-N 249.310 2.908 30 20 BFED C=CCN(CC=C)C(=O)C1CCCCC1 5898805 RTEQXTQZZCSESO-UHFFFAOYSA-N 207.317 2.767 30 20 BFED C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C#N)c1 8277333 WYWJJYAYFGPSKA-BXUZGUMPSA-N 242.322 2.867 30 20 BFED C=C(C)COc1ccc(C(C)=O)cc1[N+](=O)[O-] 36225570 JYURKYCDEDJPSD-UHFFFAOYSA-N 235.239 2.752 30 20 BFED Cc1ccccc1CN(C)[C@H](C)CC#N 42375298 PBVVVFMLLKZNHN-GFCCVEGCSA-N 202.301 2.729 30 20 BFED CCCC/C(N)=N/OCc1ccc(C#N)cc1 49066218 MHWAKBKZBALAFI-UHFFFAOYSA-N 231.299 2.537 30 20 BFED Cn1cccc1CNc1ccc(CC#N)cc1 49537681 MJICOVRKFIXIIJ-UHFFFAOYSA-N 225.295 2.703 30 20 BFED CCN(CC#N)[C@@H](C)c1ccc(F)cc1 53088455 VAQNNSSHWIYSRI-JTQLQIEISA-N 206.264 2.732 30 20 BFED C[C@H]1C[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 60392428 KPRODWKBFXYFEC-XVKPBYJWSA-N 234.686 2.806 30 20 BFED C=C(C)CNC(=S)N(C)C1CCC(C)CC1 60733357 RHUAWRRYVWTLOA-UHFFFAOYSA-N 240.416 2.948 30 20 BFED C[C@H](CC#N)N(C)C(=O)c1cccc(Cl)c1 63094201 IJUMCULFKSNYBN-SECBINFHSA-N 236.702 2.714 30 20 BFED Cc1cc(C)cc(OCCN(CC#N)C2CC2)c1 63516125 NJFLVZUZBZDHKZ-UHFFFAOYSA-N 244.338 2.670 30 20 BFED C=C(Cl)CN1CCc2ccc(OC)cc2C1 67462716 QQDCQMYBJUDAJR-UHFFFAOYSA-N 237.730 2.806 30 20 BFED CC(C)C/C(N)=N/OCc1ccccc1F 67711954 HQORYBABUMHXPC-UHFFFAOYSA-N 224.279 2.661 30 20 BFED C=CCN(Cc1ccccc1O)C[C@@H]1CCCO1 72952755 NEUKHDOHPSUNMF-AWEZNQCLSA-N 247.338 2.559 30 20 BFED CC#CCN(C)[C@@H](C)Cc1ccccc1OC 75896370 PXUHPGHIUMLXAI-ZDUSSCGKSA-N 231.339 2.581 30 20 BFED C=CCN1CCCc2cccc(OC)c21 76912405 ZKPQFZCQIFFDBW-UHFFFAOYSA-N 203.285 2.634 30 20 BFED CC1(C)[C@@H](/N=C/c2ccccc2O)[C@@H]2CCO[C@@H]21 78052635 RZOZOBDALHXYCT-FOLIFHINSA-N 245.322 2.625 30 20 BFED COCCCNc1nc2ccccc2cc1C#N 83686192 QGKYICFTNAMLCC-UHFFFAOYSA-N 241.294 2.555 30 20 BFED N#CCCCN(CCC(F)(F)F)CC1CC1 84138418 IPTYGCGHCJEIEI-UHFFFAOYSA-N 234.265 2.955 30 20 BFED Cc1ccccc1CCCN(CC#N)C1CC1 84677377 KAMXRPVEPNQJFB-UHFFFAOYSA-N 228.339 2.916 30 20 BFED C=C(C)COCCN[C@@H](C)c1ccco1 90451292 FLVWKZXNSOOAGS-NSHDSACASA-N 209.289 2.523 30 20 BFED C=CCN(CC=C)c1nc(C(C)C)ns1 92581626 UHRHSXXOVVNNNZ-UHFFFAOYSA-N 223.345 2.840 30 20 BFED CCCCCCCCNCc1ncc[nH]1 106195315 XDJHOOPRKNTGCO-UHFFFAOYSA-N 209.337 2.860 30 20 BFED C=CCNC(=O)/C=C\c1ccc(Cl)cc1 108875864 MBTBYWFODZVGNB-YVMONPNESA-N 221.687 2.655 30 20 BFED C=CC1CCN(C(=O)C2(C#N)CCCCC2)CC1 110366439 WVYCCZSFMSXGLE-UHFFFAOYSA-N 246.354 2.885 30 20 BFED C=CC1CCN(C(=O)CSCCC)CC1 110367916 DEESZPFJFZJQOF-UHFFFAOYSA-N 227.373 2.554 30 20 BFED CC[C@@](C)(C#N)NC(=O)CSc1ccccc1 111325423 IAAGTAZBEQYRCO-ZDUSSCGKSA-N 248.351 2.587 30 20 BFED C=CCS[C@@H](C)C(=O)N(C)c1ccccc1 114756572 GHYNGVAGQWRLOM-NSHDSACASA-N 235.352 2.957 30 20 BFED C=CC1CCN(C(=O)c2c(O)cccc2F)CC1 123969173 MVTGOBOCFABKDD-UHFFFAOYSA-N 249.285 2.570 30 20 BFED C=C(C)COCCNCC1CCCCC1 124888380 WCFWJYLODDTBET-UHFFFAOYSA-N 211.349 2.749 30 20 BFED C=C(Cl)C[S@@](=O)Cc1ccccc1F 125118855 PLFKYMDHMGXKKF-AWEZNQCLSA-N 232.707 2.827 30 20 BFED C=CCC[C@H](C)NCCCN1CCCCC1 126733267 TTYKYKBCUGCMBO-AWEZNQCLSA-N 224.392 2.807 30 20 BFED C=CCC(CC=C)C(=O)NC[C@H](C)SC 129537179 HQPVPXZTSRMMCN-JTQLQIEISA-N 227.373 2.623 30 20 BFED N#Cc1ccc(C(=O)/C=C/c2cncs2)cc1 129878800 RXQKMNXBJMTZRQ-AATRIKPKSA-N 240.287 2.911 30 20 BFED CCCCCCCCCn1nnnc1C 131966924 QQYJFHOKZDMQNV-UHFFFAOYSA-N 210.325 2.732 30 20 BFED C=C[C@](C)(CC)C(=O)NCc1ccc(C#N)cc1 134928603 URKOUARMPMMVMU-OAHLLOKOSA-N 242.322 2.777 30 20 BFED Cc1cc(F)ccc1OC[C@@H](C#N)CCC#N 154146082 KJZFPZZBCLBGPE-LLVKDONJSA-N 232.258 2.956 30 20 BFED C=CCN(C)Cc1cnc(N(CC)CC)s1 154761642 NMDMTLOYWCEFDJ-UHFFFAOYSA-N 239.388 2.607 30 20 BFED C#CCCCCNC(=O)CCc1ccccc1C 156159303 IBBDYFBAVXKDQS-UHFFFAOYSA-N 243.350 2.847 30 20 BFED CCc1ccc(CC(=O)N(C)[C@H](C)CC#N)cc1 163836765 ORCORHCCRVAJNF-GFCCVEGCSA-N 244.338 2.552 30 20 BFED C=C(C)COC(=O)Cc1cc(C)ccc1C 171200717 SHEKXEVNLOKRSG-UHFFFAOYSA-N 218.296 2.965 30 20 BFED CC[C@@H](CC1CCCC1)C(=O)NC[C@H](C)C#N 172174625 VMDHOYLCQXAQGI-YPMHNXCESA-N 236.359 2.869 30 20 BFED C=CCOCCCC(=O)Nc1ccccc1C 173015856 AETVTQYMPDVZCH-UHFFFAOYSA-N 233.311 2.916 30 20 BFED C[C@@H]1CCC[C@](C#N)(NC(=O)CC2CCC2)C1 173525255 RXBLMNJISBUEDW-RISCZKNCSA-N 234.343 2.765 30 20 BFED C=CCOc1ccccc1CNC(=O)/C(C)=C/C 176052746 VFVPPEPOPZCKER-LFYBBSHMSA-N 245.322 2.834 30 20 BFED C=C(C)CSCC(=O)NC1CCC(C)CC1 177872779 MCRICDFOJXOPIV-UHFFFAOYSA-N 241.400 2.991 30 20 BFED C#CCCCNC(=O)C(CCC)CCC 178828260 ZMBPKOJTZUUUON-UHFFFAOYSA-N 209.333 2.732 30 20 BFED C#CCCCCC(=O)Nc1ccsc1 180192123 KNDCUSVFEYCNLL-UHFFFAOYSA-N 207.298 2.880 30 20 BFED C=C(C)CN(C)Cc1ccc(C#N)cc1OC 181276176 KNDCVMHLEQWBEF-UHFFFAOYSA-N 230.311 2.575 30 20 BFED N#CC1(COC(=O)/C=C/c2ccccc2)CCC1 183910481 BORHSQOBEVXCMS-BQYQJAHWSA-N 241.290 2.937 30 20 BFED C=Cc1ccc(C(=O)N(CC)C[C@H](C)C#N)cc1 185255097 QTAGAUWSZQOFRG-GFCCVEGCSA-N 242.322 2.951 30 20 BFED C#Cc1cccc(N(C)C(=O)CCCC#CC)c1 185463921 FGRZNDQLQYUWLT-UHFFFAOYSA-N 239.318 2.824 30 20 BFED C#CCC(C)(C)C(=O)NCCc1ccc(C)cc1 185585669 WCXZTPZGQRYJDM-UHFFFAOYSA-N 243.350 2.703 30 20 BFED C#CCCCc1nc(C2CCCC2)no1 191820435 ZFSJCYHEKIUTFJ-UHFFFAOYSA-N 204.273 2.683 30 20 BFED C[C@H]1COCC[C@@H]1Nc1ccc(CC#N)cc1 192725883 MKIMXQJOOXLBBK-FZMZJTMJSA-N 230.311 2.590 30 20 BFED C=CCOC(=O)[C@H](C)c1cccc(OC)c1 193579676 MSVCRLSRUBHDDE-SNVBAGLBSA-N 220.268 2.528 30 20 BFED C=CCSCCNC(=O)c1cc(C)oc1C 194492797 CSXWYWWATMIWQO-UHFFFAOYSA-N 239.340 2.545 30 20 BFED C[C@H](C(=O)N[C@H]1CCC[C@@H]1C#N)c1ccccc1 228999237 ZMJUMFFRZNWOKS-YUTCNCBUSA-N 242.322 2.599 30 20 BFED C[C@@H]1CC[C@H](CNc2ccnc(C#N)c2)C1 230425772 OXXKCLJMXRZDNK-MNOVXSKESA-N 215.300 2.801 30 20 BFED CC(C)(C)C1CCN(c2nccc(C#N)n2)CC1 231900239 PJLKPNKQUUPASJ-UHFFFAOYSA-N 244.342 2.611 30 20 BFED C#C[C@H](CCC)NC(=O)c1ccc(C)s1 233358108 BVTIRVPELLMIHJ-SNVBAGLBSA-N 221.325 2.588 30 20 BFED CC[C@@H]1CN(Cc2ccccc2C#N)C[C@@H](C)O1 252442534 AFPPHYKUGPOTPF-IUODEOHRSA-N 244.338 2.558 30 20 BFED C[C@H]1CC[C@H](Nc2ccc(C#N)cn2)CC1 252952180 FMLNVIJPSGQGJA-UMSPYCQHSA-N 215.300 2.944 30 20 BFED CCn1cc(C(=O)/C=C\c2cccnc2C)cn1 255505127 OAYNYXYHEFAWTJ-SREVYHEPSA-N 241.294 2.503 30 20 BFED CC[C@H](O)CN(CC)[C@H](C)c1ccc(C#N)cc1 264465778 QQASGLATIYYMKI-DOMZBBRYSA-N 246.354 2.712 30 20 BFED CCN(CCC#N)c1nc2cc(C)ccc2o1 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C=CC[C@H](C)[C@H](C)NCc1c(C2CC2)cnn1C 658211242 BDMHEGFGJLEKEJ-RYUDHWBXSA-N 247.386 2.988 30 20 BFED C=CCCCCN1CCCC[C@H]1[C@H](C)CO 661440122 GBWAGMLDWHDLLY-KGLIPLIRSA-N 225.376 2.826 30 20 BFED C=CCCNC(=O)N[C@@H]1[C@@H](C)CCC[C@H]1C 664302748 CZBVBODRWPGBQC-GDNZZTSVSA-N 224.348 2.686 30 20 BFED C=C(C)CN(C)c1ccnc2c(O)cccc12 684580439 IPXFEUUCEAWWNK-UHFFFAOYSA-N 228.295 2.953 30 20 BFED C=CC[C@@H]1CCCN(C(=O)c2ccc(N)cc2)C1 703689761 XORFYNJTMWDAPD-GFCCVEGCSA-N 244.338 2.697 30 20 BFED Cc1cccc2c1C/C(=C/c1ccnn1C)C2=O 729151782 XTHJQIPFTITBRX-FLIBITNWSA-N 238.290 2.551 30 20 BFED Clc1cccc(NN=Cc2ncc[nH]2)c1 731149428 ZYYOOEBNRDXIIS-UHFFFAOYSA-N 220.663 2.509 30 20 BFED Clc1nccnc1NN=C/C=C\c1ccco1 733078756 JORDJZUUQQNJPY-YPYHXCMGSA-N 248.673 2.834 30 20 BFED CC(C)(C#N)C(=O)O[C@H]1CCc2ccc(F)cc21 747899163 ZYWLNHFELRDEKG-LBPRGKRZSA-N 247.269 2.906 30 20 BFED COc1ccc(NN=Cc2ccccn2)cc1 750923254 WDEPPUFKOHDLDP-UHFFFAOYSA-N 227.267 2.536 30 20 BFED CCCCCCCCNC(=O)CN(C)C(C)C 755213254 BRZDMHPZZKHHCD-UHFFFAOYSA-N 242.407 2.803 30 20 BFED C(=NNC1CCOCC1)[C@H]1C[C@H]1c1ccccc1 755767677 CWEIXNZFXGDCFG-HIFRSBDPSA-N 244.338 2.545 30 20 BFED C=C(C)[C@@H](C)OC(=O)c1cccc2c[nH]nc12 755992283 NVJQNTYIWUNRMC-SECBINFHSA-N 230.267 2.684 30 20 BFED C#Cc1ccc(C(=O)OCCCC(C)C)cn1 758448314 UAHYCSBTTSCAOP-UHFFFAOYSA-N 231.295 2.656 30 20 BFED C#CCCc1noc(Cc2c(F)cccc2F)n1 762010323 JHNAPGNCTDYSBD-UHFFFAOYSA-N 248.232 2.504 30 20 BFED C#CCCCNc1ccc(C(=O)OC)c(C)c1 766728012 JZPZZZGNZMUINA-UHFFFAOYSA-N 231.295 2.607 30 20 BFED C#CCCCCCC(=O)Nc1ncc(C)o1 779968395 RKQNEFPYJCVNCN-UHFFFAOYSA-N 220.272 2.505 30 20 BFED C=C(C)COC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 781778494 BAHGWXBWRGXQBN-OLZOCXBDSA-N 240.343 2.947 30 20 BFED CCCC(Cc1ccccc1)=NN[C@@H]1CCOC1 788447681 ORDQDPAJWWZUAT-OAHLLOKOSA-N 246.354 2.764 30 20 BFED C#CCSc1cc2c(cc1Cl)OCCO2 789920120 LQYDBILETINRTH-UHFFFAOYSA-N 240.711 2.837 30 20 BFED C#C[C@H](CCC)NC(=O)[C@H](CCC)C(C)C 791202318 JWSUYDHNDUDEQE-CHWSQXEVSA-N 223.360 2.977 30 20 BFED CO[C@@H](C)C(C)=NNc1cccc(Cl)n1 793161011 GZXLEMMSKKSFFY-QMMMGPOBSA-N 227.695 2.558 30 20 BFED C=CCNN=C(c1ccccc1C)C1CC1 794993799 HWUVWRKWZOIYLL-UHFFFAOYSA-N 214.312 2.885 30 20 BFED COCCCON=C(C)c1ccc2c(c1)CCC2 795049001 VFLKTMFIHWTHCJ-UHFFFAOYSA-N 247.338 2.952 30 20 BFED CN(CC#N)[C@@H]1CCc2cc(Cl)ccc21 795888953 HXIQMJHNXJCXSG-GFCCVEGCSA-N 220.703 2.783 30 20 BFED C=CCCCOC(=O)C[C@@H]1CCC(=O)[C@@H]1C 796234473 NPUBQHWGMOPHMN-MNOVXSKESA-N 224.300 2.501 30 20 BFED C#CCCCCCC(=O)Nc1cncc(F)c1 798532954 HVMHNNFWERCNGM-UHFFFAOYSA-N 234.274 2.743 30 20 BFED C#C[C@H](NC(=O)C[C@@H](CC)C(C)C)C(C)C 799047253 YYVJOAOTGUXCOE-OLZOCXBDSA-N 223.360 2.833 30 20 BFED C[C@H]1CC(C)(C)CCC1=NNCC(C)(C)CO 799115319 CEVULVFIIPIQDU-NSHDSACASA-N 240.391 2.797 30 20 BFED Cc1ccc(-c2nc(CC3CC3)no2)cc1C#N 799759984 AQFCWHKLQLQZTK-UHFFFAOYSA-N 239.278 2.869 30 20 BFED COCC[C@H]1CCCC1=NNCc1ccccc1 799870715 WZQFSUIOQRBSFL-CQSZACIVSA-N 246.354 2.969 30 20 BFED C=C(C)COC(=O)c1[nH]c2c(c1C)C(=O)CCC2 804003826 BNBAVUPRYKTKKK-UHFFFAOYSA-N 247.294 2.575 30 20 BFED c1ccc2c(c1)CCCC2=NN[C@@H]1CCSC1 808000616 RIDKBIQXHQZEDW-GFCCVEGCSA-N 246.379 2.822 30 20 BFED CC(C)=CCOC(=O)C#Cc1ccccc1 808493679 MMLDGSZBSCZCCM-UHFFFAOYSA-N 214.264 2.548 30 20 BFED C#Cc1ccccc1CC(=O)OCC=C(C)C 810653747 IFOCLVJNNAKOOF-UHFFFAOYSA-N 228.291 2.720 30 20 BFED C=CCCCCOC(=O)c1cscn1 811011755 LAOVLQPNRVMVMF-UHFFFAOYSA-N 211.286 2.656 30 20 BFED Cc1cc(C)c(C=NOC/C=C/Cl)[nH]1 811668928 VZCZRPZXUUBCMD-KJNQHJQGSA-N 212.680 2.735 30 20 BFED CCO[C@H]1CCCC1=NOCCC1CC1 814246193 VMPRUQQRRFNCRX-LBPRGKRZSA-N 211.305 2.748 30 20 BFED CC(C)[C@@H]1CC(=NOCCC2CC2)CCO1 814246334 ZZMQUCAJQWPXMH-ZDUSSCGKSA-N 225.332 2.994 30 20 BFED CC(=NNc1cccc(C)c1)c1c[nH]nc1C 814687868 WVHDXCHTHJMVOC-UHFFFAOYSA-N 228.299 2.863 30 20 BFED C#CCCN1C[C@@H]2CCCCN2c2ccccc21 815228146 PULOFWZWKMDPIX-AWEZNQCLSA-N 240.350 2.889 30 20 BFED C#CCCCCCC(=O)OCC[C@@H]1CCOC1 816446695 KAIXHWAGNSXART-ZDUSSCGKSA-N 238.327 2.540 30 20 BFED C=CC[C@H](NCC1(O)CCCC1)c1ccncc1 819073660 HAYLERAYCVDIDH-AWEZNQCLSA-N 246.354 2.594 30 20 BFED C=C(C)C(C)(C)C(=O)OC[C@H]1CCCOC1 819957639 MWWIFWRCBUPYEJ-NSHDSACASA-N 226.316 2.559 30 20 BFED C=C[C@H](CC)CC(=O)N1CC(CC(F)F)C1 823281915 XWHLKCBWPASCDO-SECBINFHSA-N 231.286 2.702 30 20 BFED C#CCN(CC)Cc1cccc(OC2CC2)c1F 824621019 FIIWXPMRVKWNNV-UHFFFAOYSA-N 247.313 2.822 30 20 BFED C#Cc1cnc(N2Cc3ccccc3[C@H](C)C2)nc1 827299884 VWRNQCZDHRBYEL-GFCCVEGCSA-N 249.317 2.582 30 20 BFED C#Cc1cnc(N2CCC[C@H]2C2CCCC2)nc1 827434800 MSPLLGIPOVVRPS-AWEZNQCLSA-N 241.338 2.617 30 20 BFED FCCC[C@@H]1CCCC1=NNc1ccncn1 835000230 BYEICOWGIMRVCG-JTQLQIEISA-N 236.294 2.794 30 20 BFED CC(C)ON=C1COc2ccc(Cl)cc21 835002878 RUFFVVMQMLAXNP-UHFFFAOYSA-N 225.675 2.862 30 20 BFED COCCn1c(C)cc(C=NOC(C)C)c1C 835004578 SAHBSAINKONKMA-UHFFFAOYSA-N 238.331 2.510 30 20 BFED C[C@H]1CC[C@@H](C(=O)OC[C@H](C)C#N)C[C@H]1C 835238911 SVRKIXMDRSRNAK-WRWGMCAJSA-N 223.316 2.762 30 20 BFED C=C[C@@H](OC(=O)[C@@H](CCC)OC)C(C)(C)C 835391707 QPNDJHMBMLBTLL-GHMZBOCLSA-N 228.332 2.945 30 20 BFED C=CCCO[C@@H](C)C(=O)OCC1CC(F)(F)C1 835489833 BAWQILTZVAOEAP-VIFPVBQESA-N 248.269 2.556 30 20 BFED C=CCCC(=O)OC[C@@H](OC)[C@@H](C)CC 835629585 YSORGBDHCAMFTF-WDEREUQCSA-N 214.305 2.557 30 20 BFED O=C(C#CC1CC1)N1CC[C@H]1c1cccc(F)c1 837443172 HEMVTQWBMFRYDZ-AWEZNQCLSA-N 243.281 2.513 30 20 BFED C[C@H](C1CCCCC1)N(C)C(=O)C#CC1CC1 837605844 TUDONMKKPZVURQ-GFCCVEGCSA-N 233.355 2.827 30 20 BFED C=CCCC(=O)COC(=O)c1ccsc1C 838105581 SUQLSRMDOVCFBT-UHFFFAOYSA-N 238.308 2.749 30 20 BFED C#CCCCCC(=O)N1CC[C@@H](C2CCC2)C1 839949635 UADIMXBUKQQMJG-CQSZACIVSA-N 233.355 2.829 30 20 BFED C=CCC(F)(F)C(=O)N1C[C@H](C)[C@@H](C)[C@H]1C 841365712 UCDYECFBKOXWGN-IVZWLZJFSA-N 231.286 2.701 30 20 BFED CC(C)[C@@H]1CCCCC1=NN(C)C[C@H](C)O 841650651 KTZOGLRCOPUBNM-RYUDHWBXSA-N 226.364 2.501 30 20 BFED C=C[C@@H](C)ONC(=O)Nc1ccc(C)cc1F 844482131 LCCGFLZSNVNTCJ-SECBINFHSA-N 238.262 2.762 30 20 BFED C(=NOCC1CC1)c1cc2cnccc2o1 844598547 POQYWESXAOSVJS-UHFFFAOYSA-N 216.240 2.588 30 20 BFED C=C(C)CON=Cc1c(C)cccc1OC 844619123 BLGRDELSBMWGPK-UHFFFAOYSA-N 219.284 2.930 30 20 BFED C=C(C)CON=C(C)Cc1ccnc(OC)c1 844620148 QYCCJPWYQRRASZ-UHFFFAOYSA-N 234.299 2.601 30 20 BFED C=C[C@@H](C)ONC(=O)N1CCCC(C)(C)CC1 845636819 ZWWRTMAGTONUMW-LLVKDONJSA-N 240.347 2.714 30 20 BFED C=C(C)CCNC(=O)/C(C)=C\c1ccco1 847069753 FGIHIGVFOKBJTA-LUAWRHEFSA-N 219.284 2.765 30 20 BFED C=CC[C@H](CC)NC(=O)C(C)(C)SC 847105171 SQFPFONCSYCURR-VIFPVBQESA-N 215.362 2.599 30 20 BFED C[C@H](C#N)OC(=O)C1[C@@H]2CCCCCC[C@@H]12 850301224 GGYSQGNFAICLOH-GMTAPVOTSA-N 221.300 2.658 30 20 BFED C#C[C@H](OC(=O)C1CCC2(CC1)CC2)C1CC1 850911149 NTLMQLKKANQMLT-ZDUSSCGKSA-N 232.323 2.912 30 20 BFED O=[N+]([O-])c1ccc(C=NOCC2CCC2)s1 853440091 ZETAOEBXWKRAGX-UHFFFAOYSA-N 240.284 2.807 30 20 BFED CC(C)C#CC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 854148532 GJHDJWLMCQGFKQ-XDQVBPFNSA-N 233.355 2.587 30 20 BFED CC[C@H](NC(=O)c1cc(C#N)ccc1F)C1CC1 855856023 KWLDHRZHWVEKBC-ZDUSSCGKSA-N 246.285 2.616 30 20 BFED CCC(=NN(C)CCOC)c1cc(C)ccc1C 863112133 OTIOUHWPXULOHS-UHFFFAOYSA-N 248.370 2.996 30 20 BFED CCCCCCCN[C@@H](C)C[C@@H](C)N 863539462 CNHKCWCEWXGZIS-NEPJUHHUSA-N 200.370 2.672 30 20 BFED C=CCCONC(=O)c1ccc(CCC)s1 869282751 QSAHOYSVNMXADB-UHFFFAOYSA-N 239.340 2.938 30 20 BFED C[C@@H](COC(=O)CCCC#N)C(C)(C)C 869523426 JXAMKNRQDVHWHB-JTQLQIEISA-N 211.305 2.906 30 20 BFED CCOc1cccc(OC(=O)C(C)(C)C#N)c1 870677257 YLYOJENRXMORIN-UHFFFAOYSA-N 233.267 2.540 30 20 BFED CCCCCNC(=S)NN=C1CCC[C@@H]1F 872337303 ZKFICUYPUWQIJX-VIFPVBQESA-N 245.367 2.519 30 20 BFED CC(C)O[C@H](CNCCC#N)c1ccccc1 877482886 INEKDEBJNPUYGU-CQSZACIVSA-N 232.327 2.656 30 20 BFED C#CCCCCCCN1CCC2(CCO2)CC1 877501417 OWUOASNLYMTHHC-UHFFFAOYSA-N 235.371 2.825 30 20 BFED C#CCSCC(=O)N(C)c1cc(C)ccc1C 888316861 JJROAKGONGPSHK-UHFFFAOYSA-N 247.363 2.633 30 20 BFED C=CC(C)(C)CC(=O)N(C)c1ncccc1F 889639051 CAAGZXCWNYHIIR-UHFFFAOYSA-N 236.290 2.786 30 20 BFED C=CC1(OC(=O)CCCc2ccccn2)CC1 893362895 NXTKTAGNKZZWQC-UHFFFAOYSA-N 231.295 2.666 30 20 BFED C=CC1(OC(=O)CO[C@H]2CCCC[C@@H]2C)CC1 893363424 YQQKYMRIOSBHHL-RYUDHWBXSA-N 238.327 2.844 30 20 BFED Cc1ccc(CN2CCC[C@H](C#N)C2)c(F)c1 896502313 WUFJSJCZVYCFCQ-GFCCVEGCSA-N 232.302 2.870 30 20 BFED C/C(=C(/F)C(=O)N(CCC#N)C(C)C)C1CC1 900470139 QNVHPXWKDFXVDN-BENRWUELSA-N 238.306 2.791 30 20 BFED CC1(Nc2nnc(-c3ccc(C#N)cc3)o2)CC1 901406734 FFTKMFZKYUJGKA-UHFFFAOYSA-N 240.266 2.573 30 20 BFED N#CC1(CCCCSC2COC2)CCC1 901631841 BIAPZWRRKOXJKC-UHFFFAOYSA-N 225.357 2.983 30 20 BFED C=C[C@@H](CC)Cc1nc(-c2cccnc2)no1 901905910 IBBUCXMGTFBFHV-JTQLQIEISA-N 229.283 2.886 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C)cc1 905032333 HXAQXKIIXOKPAA-KBPBESRZSA-N 245.322 2.915 30 20 BFED CC[C@@H](C)C(C)=NNc1ccc(Cl)nn1 916288342 XLTYPTDWZUPNLQ-SSDOTTSWSA-N 226.711 2.964 30 20 BFED C#CCN(C(=O)C[C@H](C)CCC)C(C)C 928629354 VBSYVPPPUHEVPW-GFCCVEGCSA-N 209.333 2.683 30 20 BFED CC[C@H](CC#N)NCc1cccc(OC)c1C 930694986 ZJHLVNMXXZNXOQ-CYBMUJFWSA-N 232.327 2.786 30 20 BFED C=CCC[C@H]1CCCN1C(=O)c1nocc1C 1121246333 SIJGWZBPGSFXHW-NSHDSACASA-N 234.299 2.554 30 20 BFED CCC/C(C)=C/C(=O)[C@H](C#N)c1nccn1CC 1123337504 RVRLKECORMQTLM-ZKQHCESOSA-N 245.326 2.826 30 20 BFED Cc1nc2ccccc2c(C(=O)OCC#N)c1C 1256070567 JKFNVKYZCOBHHO-UHFFFAOYSA-N 240.262 2.532 30 20 BFED C=CCOCCCC(=O)OC(C1CC1)C1CC1 1263523405 ODIFTWHBDPWDPT-UHFFFAOYSA-N 238.327 2.701 30 20 BFED C=C(CC)C(=O)Nc1ccc(N(C)C)cc1C 1263708514 PBEILIRNKDMMMS-UHFFFAOYSA-N 232.327 2.966 30 20 BFED N#CCC[C@H](C#N)CN1CC[C@H]2CCCC[C@@H]2C1 1318434839 HKTGGPRBCFTAKO-RBSFLKMASA-N 245.370 2.942 30 20 BFED C#CCN(CC1CC1)C(=O)/C(C)=C(/C)CC 1320770220 KUSCBUABCCCEHI-QXMHVHEDSA-N 219.328 2.605 30 20 BFED C(=NOCC1CC1)c1ccc2c(c1)CCC2 1324884391 MKNXBDABXURTTR-UHFFFAOYSA-N 215.296 2.936 30 20 BFED C=C(CNC(=O)[C@@H](F)CC)c1ccccc1 1337278170 QUAHDRIHJKKAQI-LBPRGKRZSA-N 221.275 2.564 30 20 BFED C#CCN(CC1CC1)C(=O)[C@@H](C)C(CC)CC 1341295899 YAQLRYSKWBWRPT-LBPRGKRZSA-N 235.371 2.931 30 20 BFED CCC[C@H](C)N(C)C(=O)c1csc(C#N)c1 1347771952 VKQHFQPPONABFI-VIFPVBQESA-N 236.340 2.880 30 20 BFED C=C(C)CCC(=O)Nc1cccc(F)n1 1518009050 KTVBYPALHQCYDB-UHFFFAOYSA-N 208.236 2.516 30 20 BFED C=C(CC)C(=O)NCc1ccc(F)c(C)c1 1518821431 PMJUDIBCBQBLOP-UHFFFAOYSA-N 221.275 2.717 30 20 BFED C=C(CC)C(=O)N1CC[C@H](C)C2(CCC2)C1 1521302124 OAUHILBFTYNURS-LBPRGKRZSA-N 221.344 2.991 30 20 BFED C[C@@H](CCC#N)SC1=NCCS1 1559325830 BWOGDLJWVJLDTB-ZETCQYMHSA-N 200.332 2.515 30 20 BFED Cc1ccc(C[C@@H](C#N)S[C@H](C)C(=O)O)cc1 1594355304 QKHSTVXJAHDQAV-PWSUYJOCSA-N 249.335 2.636 30 20 BFED O=C(O)CC1CCC(=NNc2ccccn2)CC1 1601945624 AJUQTBFCHULATI-UHFFFAOYSA-N 247.298 2.514 30 20 BFED C=CCCCCCN1CCC[C@@H]1[C@H](C)C(=O)O 1776174401 JODIHXVIZOTCPF-QWHCGFSZSA-N 239.359 2.918 30 20 BFED CCCCOc1ccc(CNCCC#N)cc1 20200098 GQLHMDROHJZZNM-UHFFFAOYSA-N 232.327 2.869 30 20 BFED C=CCSCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 44464730 PKFYYINRKUAPAZ-IJLUTSLNSA-N 241.400 2.847 30 20 BFED CCO[C@@H](CC)C(=O)Nc1cc(C#N)ccc1C 49520705 JLFLQXHYKJWOSB-ZDUSSCGKSA-N 246.310 2.620 30 20 BFED COCCCOc1cc(Cl)ccc1C#N 62790219 HPYIRWPJTPGBAE-UHFFFAOYSA-N 225.675 2.627 30 20 BFED CCN(CCOC)c1ccc(C#N)cc1Cl 62793738 QNGLBQOTGWGDEZ-UHFFFAOYSA-N 238.718 2.684 30 20 BFED C=C(C)CNc1nc(C)c(C(C)=O)s1 66938814 GYLDQBVUHMOJAO-UHFFFAOYSA-N 210.302 2.642 30 20 BFED C[C@H]1CCC[C@@](C#N)(NC(=O)C2CC=CC2)C1 77005072 LKMIDGIDLBNYOU-SMDDNHRTSA-N 232.327 2.541 30 20 BFED CC(C)[C@H](O)CCNc1ccc(F)cc1C#N 78341614 WIXGLRFKSITTAV-CYBMUJFWSA-N 236.290 2.516 30 20 BFED C=CCOc1ccc(CN[C@H](CC)COC)cc1 79733297 YIYNOVZNPIJMBW-CQSZACIVSA-N 249.354 2.766 30 20 BFED C#Cc1cccc(NC(=O)NCC(C)(C)C)c1 79816263 IPMFACHBEMPCIW-UHFFFAOYSA-N 230.311 2.836 30 20 BFED C[C@H](CCO)SCc1ccc(F)cc1C#N 85146843 ULDJDUGZJQICBF-SECBINFHSA-N 239.315 2.701 30 20 BFED CCCCCNCc1ccc(OC)c(C#N)c1 87822260 RFTGZMUZNLTESG-UHFFFAOYSA-N 232.327 2.847 30 20 BFED C#CCCCCN[C@H](C)c1nccs1 90398357 FTWNTSNPMRHCTK-SNVBAGLBSA-N 208.330 2.597 30 20 BFED Cc1cccnc1COc1ccccc1C#N 92852044 FGAKLDFBYGGECK-UHFFFAOYSA-N 224.263 2.841 30 20 BFED CC(C)(CCC#N)CN(CCCCO)C1CC1 93383384 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CC(C)(C)NC(=O)Nc1ccc(F)cc1C#N 97036321 WUOFCIYHRUPOAH-UHFFFAOYSA-N 235.262 2.617 30 20 BFED CCCCCCC(=O)N(CC)CCC#N 103207227 IDKNPFVCURSSGN-UHFFFAOYSA-N 210.321 2.719 30 20 BFED CCC[C@@H](C)C(=O)N(CCC#N)CC1CC1 103535265 WJRGQRJQSCXURF-LLVKDONJSA-N 222.332 2.575 30 20 BFED CCCCCCCCCC(=O)N(C)C[C@H](C)O 106944084 NGMJHIZKAXGEOP-ZDUSSCGKSA-N 243.391 2.966 30 20 BFED C=CC1CCN(C(=O)Nc2cccnc2)CC1 111419233 LSCWWUFIMOKPJR-UHFFFAOYSA-N 231.299 2.512 30 20 BFED C=CCN(C)[C@H](C)C(=O)Nc1c(C)cccc1C 121473055 CEYXPTBLUWQZMH-CYBMUJFWSA-N 246.354 2.748 30 20 BFED C=CCC[C@@H](O)CN1CCc2c(C)cccc21 124754995 XAFIQRJUTDDTPO-CYBMUJFWSA-N 231.339 2.685 30 20 BFED C=C[C@@H](C)N[C@@H](C)CCc1ccc(O)cc1 125728139 KFSYAOITVGILRN-NEPJUHHUSA-N 219.328 2.877 30 20 BFED C=CCC[C@@H](C)NCCN(C)C1CCCC1 126827986 ULZYUJHXJFQHSC-CYBMUJFWSA-N 224.392 2.805 30 20 BFED C[C@@H](C#N)CN(C)Cc1cc(F)cc(F)c1 127989280 DIVWPPYKZRDPGC-VIFPVBQESA-N 224.254 2.556 30 20 BFED C=CCC[C@@H](NCc1c[nH]nc1C)C1CC1 130138008 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217.297 2.738 30 20 BFED C=CC[C@H](CC)NC(=O)c1ccc(C)c(C)n1 298897074 KLLIFUWTDZUONV-LBPRGKRZSA-N 232.327 2.783 30 20 BFED C[C@H](CCC#N)N(C)CCc1cccs1 299418343 WPVIRVPMCVPANA-LLVKDONJSA-N 222.357 2.915 30 20 BFED CC1(C)[C@@H]2CN(c3c(F)cc(C#N)cc3F)C[C@H]21 301467682 QTVCKKXUBPNBJW-NXEZZACHSA-N 248.276 2.929 30 20 BFED C[C@@H](c1ccccc1)N(C)c1ccc(C#N)nn1 301932207 PFAIMXQKWIGYCN-NSHDSACASA-N 238.294 2.546 30 20 BFED CCCN(c1ccc(C#N)cc1[N+](=O)[O-])C1CC1 302045032 UACZZDOSWSPKTA-UHFFFAOYSA-N 245.282 2.845 30 20 BFED COC[C@H]1CCCCN1Cc1ccccc1C#N 307765218 PLDAYAVVHJIHBG-OAHLLOKOSA-N 244.338 2.559 30 20 BFED CSC[C@@H](C)C(=O)Nc1cc(C)cc(C#N)c1 308213725 XZGKISUZNCMSMS-SNVBAGLBSA-N 248.351 2.804 30 20 BFED C=CC[C@H](CO)CN[C@H]1CCC[C@@H]1C(C)C 309345977 LPHQKMBFKNXJLR-MJBXVCDLSA-N 225.376 2.585 30 20 BFED Cc1ccc(CNc2ncccc2C#N)nc1C 313857409 VBRMZYPLHJVRKF-UHFFFAOYSA-N 238.294 2.577 30 20 BFED CC1=C(/C(O)=N/Cc2[nH]cnc2C)CCC1 328603009 HKACFWIZXJYCQI-UHFFFAOYSA-N 219.288 2.675 30 20 BFED 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COC1(C(C)=NNc2ccnc(F)c2)CCC1 853332293 RDXHAAXXKURDBW-UHFFFAOYSA-N 237.278 2.578 30 20 BFED COC(=O)[C@@H]1CCCC(=NOCC2CCC2)C1 853441600 YKGVRTVWHJYKMW-LLVKDONJSA-N 239.315 2.522 30 20 BFED Fc1ccc(F)c(CON=CC2CC2)c1 853734964 KSVJXIRFMRYABR-UHFFFAOYSA-N 211.211 2.877 30 20 BFED C=C[C@H](O)C(=O)N(CC(C)C)c1ccc(C)cc1 854883656 FTQXHDBWXSVBFO-AWEZNQCLSA-N 247.338 2.531 30 20 BFED CC(C)Cc1cc(NC(=O)C#CC(C)(C)C)n[nH]1 855086030 ODSXRQGXCJCVPL-UHFFFAOYSA-N 247.342 2.596 30 20 BFED C=CCCC(C)(C)NC(=O)[C@H](O)CCCCC 856375174 QIIQOBXURZRTGT-GFCCVEGCSA-N 241.375 2.789 30 20 BFED CCCOC(=O)N(CCC#N)CCC(C)C 858944094 HMLNGMVXVBMTCN-UHFFFAOYSA-N 226.320 2.795 30 20 BFED C#C[C@@H](CC)OC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 860663914 WDEFUISJJWZEOU-ZJQBRPOHSA-N 220.312 2.768 30 20 BFED C#CC[C@@H](CCOC)N[C@H](CC)CCCC 862547667 LSQHECPKABPLFF-KGLIPLIRSA-N 225.376 2.973 30 20 BFED C#CC[C@H](CCOC)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 862547804 PXWCORGSPQKLOW-BARDWOONSA-N 237.387 2.829 30 20 BFED C[C@H](C#N)C(=O)N[C@@H]1CCc2ccc(Cl)cc21 863640498 PEKMBEZLESZMEW-PRHODGIISA-N 248.713 2.603 30 20 BFED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccco1)C(C)C 863943039 LORCITRCSBAQRK-VXGBXAGGSA-N 233.311 2.806 30 20 BFED C=CCC[C@H](C)OC(=O)c1ncc2n1CCCC2 870013446 YFYFLVNPBOYXMU-NSHDSACASA-N 248.326 2.731 30 20 BFED C=CC[C@@H](CC)NC(=O)N[C@H]1CC12CCC2 872997177 IQGIZMFWVZMSIK-MNOVXSKESA-N 222.332 2.583 30 20 BFED CCC[C@H](CC)C(=O)N(C)[C@H](C#N)CC 875815012 VVFPJGJSCOKIAC-QWRGUYRKSA-N 210.321 2.573 30 20 BFED Cc1cccc(C)c1CN(C)C(=O)C(C)(C)C#N 887962225 WZBRMCAGYBPAAK-UHFFFAOYSA-N 244.338 2.812 30 20 BFED CCC#CCOC(=O)C1(c2ccccc2)CC1 893833750 YBELIDZVSZPJJU-UHFFFAOYSA-N 228.291 2.675 30 20 BFED CC[C@](C)(C#N)c1nc(C2(SC)CC2)no1 896780221 AOFGIGMRZCSRGX-SNVBAGLBSA-N 237.328 2.613 30 20 BFED C#Cc1ccc(C(=O)N[C@H]2CCC(F)(F)C2)cc1 897006915 HSPJVPFKHMXEEJ-LBPRGKRZSA-N 249.260 2.586 30 20 BFED C=C1CN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)C1 898696782 ZNCFZWKDVKWIPW-UWVGGRQHSA-N 247.260 2.754 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1nc(CC)co1 898915247 MZHYQCZDTZFXJX-VIFPVBQESA-N 222.288 2.778 30 20 BFED C=CC[C@@H](C)NC(=O)/C(F)=C(\C)C1CC1 900743003 VRSGQWIMSFIWOF-IDTVXWRCSA-N 211.280 2.721 30 20 BFED CC(=NNc1ncccn1)c1cc(F)ccc1F 912974316 QCSAVCIOKNENEJ-UHFFFAOYSA-N 248.236 2.591 30 20 BFED CCON=C(CC)c1cccc([N+](=O)[O-])c1 915958185 QJTICFCBAIKQTA-UHFFFAOYSA-N 222.244 2.745 30 20 BFED C[C@H]1CCCC(=NNCCN2CCCCC2)C1 915975083 ZTLYQSHHPADWAQ-ZDUSSCGKSA-N 237.391 2.628 30 20 BFED C#CCOC(=O)c1ccc(OCC(C)C)cc1 916614001 QUKJOHNIOPSWSD-UHFFFAOYSA-N 232.279 2.511 30 20 BFED C#CCN(C(=O)[C@H](C)c1ccccc1F)C(C)C 928628872 HGWDSUFNSCUADG-GFCCVEGCSA-N 247.313 2.799 30 20 BFED C=C[C@@H](CC)CC(=O)N(CC)CC1CC1 932588133 CAUDBXRLBTZYHK-NSHDSACASA-N 209.333 2.847 30 20 BFED C#Cc1ccc(NC(=O)N2CC(C(C)C)C2)cc1 934931642 QJKFVJULBHJOPO-UHFFFAOYSA-N 242.322 2.788 30 20 BFED C=C[C@H](CC)CC(=O)Nc1cnc(O)c(C)c1 935097962 HQQPZNSOZKZGAN-SNVBAGLBSA-N 234.299 2.636 30 20 BFED CO[C@@H]1CCCC[C@H]1Nc1cccc(CC#N)n1 1118243852 FAUNIOBVFGRBSE-CHWSQXEVSA-N 245.326 2.517 30 20 BFED C=CCC[C@H](C)NCCCCCCNC(C)=O 1177700381 OTCJCWOXPLAVRQ-ZDUSSCGKSA-N 240.391 2.627 30 20 BFED CC[C@H]1CCCN(c2cccc(CC#N)n2)C1 1253071065 IGIDUZIWNCPCBG-LBPRGKRZSA-N 229.327 2.774 30 20 BFED C#CCN(Cc1csc(Cl)n1)CC1CC1 1261261974 IFFFHHDXCIXEMA-UHFFFAOYSA-N 240.759 2.642 30 20 BFED C=CCCC[C@H](C)NC(=O)c1c[nH]nc1CCC 1321357013 DVNPHTIULFFNHK-NSHDSACASA-N 249.358 2.837 30 20 BFED CCC[C@H](C)NC(=O)CC#Cc1ccccc1 1323857976 UNXWSCVKIXNPAY-ZDUSSCGKSA-N 229.323 2.733 30 20 BFED C=CCCC(CCC)=NNC(=S)NC(C)C 1326228353 XUQGJWMWWHPSRE-UHFFFAOYSA-N 241.404 2.981 30 20 BFED CC[C@H](C#N)N(CC)C(=O)/C=C/c1ccccc1 1338329589 RVFQGLILVVGIJM-PLSXKVAHSA-N 242.322 2.850 30 20 BFED C=C(C)CCC(=O)NCCC1(CSC)CC1 1338961834 WMBATBBNLUBBSF-UHFFFAOYSA-N 241.400 2.992 30 20 BFED C=CCCOC(=O)c1ccnn1[C@@H](C)CC 1342358527 MQQJMHBPTOAHJN-JTQLQIEISA-N 222.288 2.587 30 20 BFED C=C[C@@H](C)OC(=O)[C@@]1(c2ccccc2)CCCO1 1343327551 KHWULJATPJNAGT-DOMZBBRYSA-N 246.306 2.810 30 20 BFED C=C(CC)C(=O)NCC1CCC(F)(F)CC1 1346960916 GXKQBBSUZRDPFC-UHFFFAOYSA-N 231.286 2.894 30 20 BFED N#CCCCCCC(=O)N[C@H]1CCC[C@H](F)C1 1349430822 UILFTOVAVKRRNB-RYUDHWBXSA-N 240.322 2.857 30 20 BFED C=C(CC)C(=O)N[C@H]1c2ccc(F)cc2O[C@H]1C 1548705374 OYRKLNMXYBXKBO-TVQRCGJNSA-N 249.285 2.730 30 20 BFED CCN(Cc1cccc(C#N)n1)c1ccccc1 1560749077 NNPXWRVQDAEAOT-UHFFFAOYSA-N 237.306 2.980 30 20 BFED C=C[C@H](OC(=O)CC(C)(C)N)c1ccccc1 1573310873 QPMLKCMZEWETKE-LBPRGKRZSA-N 233.311 2.584 30 20 BFED Cc1ccc(CNc2cccc(C#N)c2C)nn1 1656345498 OPHUJHYUXARAKG-UHFFFAOYSA-N 238.294 2.577 30 20 BFED N#CC1CCN(CCCc2ccccc2)CC1 32015633 RIEJCTSZBHZCFP-UHFFFAOYSA-N 228.339 2.855 30 20 BFED N#CCc1ccc(NCc2ccco2)cc1 37071300 UMDPFXOPBWIREC-UHFFFAOYSA-N 212.252 2.958 30 20 BFED CCN(CCCCC#N)Cc1ccncc1 42221957 MXSHOWOTVNNJSL-UHFFFAOYSA-N 217.316 2.597 30 20 BFED C[C@H](C#N)CN(C)Cc1ccc2ncccc2c1 42461064 VNEVCRKQJNVBET-GFCCVEGCSA-N 239.322 2.826 30 20 BFED C=CCCC(=O)Nc1ccc(C)cc1C(=O)O 54399610 YLJLZFKMOYJXNT-UHFFFAOYSA-N 233.267 2.598 30 20 BFED C=CCOc1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 55722501 OFJRJDXQHZILLR-GWCFXTLKSA-N 231.295 2.846 30 20 BFED C#CCN(CC)C(=O)Nc1ccc(Cl)cc1 56517865 MLUXXCRBYIIZSO-UHFFFAOYSA-N 236.702 2.827 30 20 BFED C=CCCO[C@H](C)C(=O)NC1CCC(C)CC1 69317511 BXODNAMNCUIAEH-OTTFEQOBSA-N 239.359 2.663 30 20 BFED C[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2 69610843 JOASNLQGYMQDGE-VXNVDRBHSA-N 246.335 2.703 30 20 BFED CO[C@@H](CNCc1ccc(C#N)cc1)C(C)(C)C 72925470 CSUQGSWPSJPIJP-AWEZNQCLSA-N 246.354 2.709 30 20 BFED N#CCSCCCN1CCc2ccccc2C1 74980608 JVGKYMYDSJLCHW-UHFFFAOYSA-N 246.379 2.692 30 20 BFED C=C(Cl)CNC(=O)N(C)Cc1ccccc1 77791090 YSECPTPIJVKSJD-UHFFFAOYSA-N 238.718 2.581 30 20 BFED N#Cc1ccc(CC(=O)Nc2ccsc2)cc1 80111201 OVZHVNUAGNKDKZ-UHFFFAOYSA-N 242.303 2.801 30 20 BFED Cc1ncccc1C(=O)Nc1ccc(C#N)cc1 82338700 QNSBOBNYMGCJLI-UHFFFAOYSA-N 237.262 2.514 30 20 BFED Cc1nsc(NCCC2CC2)c1C#N 86255001 OKZGNBIWWLFFJO-UHFFFAOYSA-N 207.302 2.535 30 20 BFED CCOC(=O)C(C)(C)c1cc(F)cc(C#N)c1 91331983 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BFED C#CCCCCN[C@@H]1C[C@@H](OCC)C1(C)C 132908859 SPUCLGOKNYJHPS-CHWSQXEVSA-N 223.360 2.583 30 20 BFED C#CCCCCN[C@@H](C)c1ccccc1O 134814297 YERKTNODIGPUJV-LBPRGKRZSA-N 217.312 2.846 30 20 BFED COc1ccc(CNC[C@@H](C)C2CC2)cc1C#N 135162623 GMGVQKAPFNKDAK-LLVKDONJSA-N 244.338 2.703 30 20 BFED CC1CC(NCc2cc(C#N)ccc2F)C1 135533238 UHFHLKFOABYOPY-UHFFFAOYSA-N 218.275 2.585 30 20 BFED C=CCN(C)C(=O)N[C@H]1CCCC[C@H]1CC 153946698 LUDQJSZIAKFXLK-NEPJUHHUSA-N 224.348 2.783 30 20 BFED C=C[C@H](C)NC(=O)CCSCCCC 156066143 NQMPZEBNLSKUOA-JTQLQIEISA-N 215.362 2.601 30 20 BFED C=C(C)CNC(=O)N1CC[C@@H](c2ccccc2)C1 156836417 LEWLEDSZOKIMOC-CQSZACIVSA-N 244.338 2.762 30 20 BFED C=C[C@H](C)NCc1nn(CC)c2ccccc12 158217321 DCBMHPLWXXLUPT-NSHDSACASA-N 229.327 2.720 30 20 BFED Cc1nc2c(n1CC1(CC#N)CC1)CCCC2 160709151 HOSJEVLHSIVZKV-UHFFFAOYSA-N 229.327 2.764 30 20 BFED C#C[C@H](C)N[C@H](CC)c1ccc(F)cc1 166397082 MWIDGVQXZFOFIV-GXFFZTMASA-N 205.276 2.888 30 20 BFED CC(C)(C#N)CNCc1cccc2[nH]ccc12 168938690 SMRPVJANLXXWDS-UHFFFAOYSA-N 227.311 2.807 30 20 BFED C#Cc1cccc(NC2CC(OCC)C2)c1 169161470 RYBZEVOMRWYKRQ-UHFFFAOYSA-N 215.296 2.647 30 20 BFED C#CCCCNc1cccc(C(F)(F)F)n1 172779177 BPIHHAAINJHXDD-UHFFFAOYSA-N 228.217 2.926 30 20 BFED C[C@@H](C(=O)OCCCC#N)c1cccc(F)c1 173573539 RWLRIMQKXMELOR-SNVBAGLBSA-N 235.258 2.776 30 20 BFED C=C(C)CN(C)C(=O)c1cc2nc(C)ccc2o1 180385503 RJCWRCNYMQKUPY-UHFFFAOYSA-N 244.294 2.784 30 20 BFED C[C@@H](C#N)CNc1ccnc2ccsc12 181126765 CNBDHOALRRRNHL-QMMMGPOBSA-N 217.297 2.868 30 20 BFED C#CCOc1ccccc1CNc1cc(C)on1 181462094 YHUIAYIRPRPAPB-UHFFFAOYSA-N 242.278 2.607 30 20 BFED N#CC1(C(=O)Nc2ccc(O)cc2F)CCCC1 183277526 NBPICHYVFNFAET-UHFFFAOYSA-N 248.257 2.554 30 20 BFED C=CCNC(=O)CSC[C@H](C)c1ccccc1 183341257 ZGISLAWQPRJRMW-LBPRGKRZSA-N 249.379 2.826 30 20 BFED CC[C@H](CC#N)NC(=O)[C@H]1CCC[C@H](C)C1 183927085 STASKJKLCJAGJQ-SDDRHHMPSA-N 222.332 2.621 30 20 BFED CC1(C)CC[C@H](CN(CCC#N)CC2CC2)O1 184658607 OGJWNPYKBANHGL-CYBMUJFWSA-N 236.359 2.570 30 20 BFED C#C[C@@H](C)NC(=O)c1coc2cc(C)c(C)cc12 186103104 UIWBVZHCLABIDU-LLVKDONJSA-N 241.290 2.801 30 20 BFED CC[C@@H](CC#N)NC(=O)c1csc(Cl)c1 189650632 HZKAYGXRPMXSPW-QMMMGPOBSA-N 242.731 2.824 30 20 BFED CCCc1ccc(C(=O)N[C@@H](C)CC#N)cc1 194629393 SIZILYUHLJWBPD-NSHDSACASA-N 230.311 2.671 30 20 BFED CCCN(CC#N)C(=O)[C@H]1CCCC1(C)C 228844197 JPDXIBSDXNVYPC-LLVKDONJSA-N 222.332 2.575 30 20 BFED C#C[C@H](CC)N[C@@H](C)Cc1cccs1 229530718 XLEWBCIZKVOJFP-WDEREUQCSA-N 207.342 2.681 30 20 BFED C#CCCCNc1ccc(C(C)=O)cc1 231633936 IJWHHURIQDZFEO-UHFFFAOYSA-N 201.269 2.715 30 20 BFED CC1(C(=O)N2CCC[C@@H](C#N)C2)CCCCC1 232778164 JQBLKNSWWYNMQJ-LBPRGKRZSA-N 234.343 2.719 30 20 BFED N#Cc1c(F)cccc1NC/C=C/Cl 236172278 NIXQCWOXYBDIMN-GORDUTHDSA-N 210.639 2.862 30 20 BFED C=CCC[C@H](O)CNC1[C@@H](C)CCC[C@@H]1C 248591650 RLODQVMJEYXMGV-AVGNSLFASA-N 225.376 2.728 30 20 BFED Cc1ccc(C(C)(C)CNCCC#N)cc1 258881454 ICVPSOJEYBRMDB-UHFFFAOYSA-N 216.328 2.776 30 20 BFED N#C[C@H]1CC[C@@H](NC(=O)c2ccccc2Cl)C1 260033390 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CC[C@H](C)CON=C1CCN(CC)C[C@@H]1C 793145301 IHVCHWCMOSZLKO-RYUDHWBXSA-N 226.364 2.767 30 20 BFED CC#CCOC(=O)c1cccc(F)c1SC 797923796 LXNAMSXEKWKEAX-UHFFFAOYSA-N 238.283 2.728 30 20 BFED C#CCOc1ccccc1CN1CCC=C(C)C1 798090250 IHHNCHONNJICJC-UHFFFAOYSA-N 241.334 2.851 30 20 BFED CN(C)c1ccc(N[C@H]2CC[C@H](C#N)C2)cc1 799722187 KKYUBNHTZDORTG-AAEUAGOBSA-N 229.327 2.857 30 20 BFED CC#CCCCC(=O)OCC(=O)CC(C)(C)C 805531010 UDEDSMRITMSSBK-UHFFFAOYSA-N 238.327 2.729 30 20 BFED COc1cccc(O)c1/C=N\[C@H](C)C(F)(F)F 806551442 LEOGLZPDEAJABW-YBNGVGCVSA-N 247.216 2.771 30 20 BFED C#C[C@H](NC(=O)NC[C@H]1CC=CCC1)C(C)(C)C 808315900 BSONWGYKBXAQKS-STQMWFEESA-N 248.370 2.690 30 20 BFED C=CCCCOC(=O)c1cnc(C(C)(C)C)nc1 808557289 OBBDDMAYWQHAGG-UHFFFAOYSA-N 248.326 2.897 30 20 BFED CS/C=C\C(=O)Nc1scc(C)c1C#N 809002718 KCJWMRXMNHPTSV-ARJAWSKDSA-N 238.337 2.743 30 20 BFED N#CCCCC(=O)OC[C@@H]1C[C@H]2CC[C@H]1C2 812614337 MFNXHIOCJUPRRU-SRVKXCTJSA-N 221.300 2.660 30 20 BFED CCC(=NNc1nc(C)cc(C)n1)c1ccco1 814681495 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235.283 2.716 30 20 BFED C=C[C@H](C)ONC(=O)[C@@H](C)c1cccc(C)c1 846546521 WHTDGDYJPNDAKN-RYUDHWBXSA-N 233.311 2.721 30 20 BFED C=CC[C@@H](C)NC(=O)/C(C)=C/c1ccco1 847504287 DXHABPWVZOJROI-PBQZMEPESA-N 219.284 2.764 30 20 BFED C=C[C@](C)(CC)COC(=O)c1ncccc1F 850977582 ZIXVGOFVGFBPSS-CYBMUJFWSA-N 237.274 2.980 30 20 BFED C=CC[C@@H]1CCCN(Cc2cc(C)nn2C)C1 852410123 IQTGOCHUCDDSPP-CYBMUJFWSA-N 233.359 2.517 30 20 BFED CCOc1cc(C=NOCC2CCC2)ccc1O 853439748 MKLHFQKBEZPLFH-UHFFFAOYSA-N 249.310 2.942 30 20 BFED Cc1ccc2[nH]cc(C#N)c(=N[C@@H]3C=CCC3)c2c1 853799130 BMZIEDZEFHNDLU-CYBMUJFWSA-N 249.317 2.967 30 20 BFED CCC(C#N)(CC)C(=O)OCC1CC(F)(F)C1 860200400 VAJGONLJFMNCDT-UHFFFAOYSA-N 245.269 2.905 30 20 BFED CC(C)(C#N)CC(=O)OCCCc1ccco1 861020567 CZPVSBJAPBSJIS-UHFFFAOYSA-N 235.283 2.695 30 20 BFED CC(=NNCC(C)(C)O)[C@H]1CCCC[C@H]1C 863136338 CJRFZLGLKNPLOI-PWSUYJOCSA-N 226.364 2.549 30 20 BFED CC[C@H]1CCCC1=NN=c1cc[nH]c(C)c1 863159571 WPQZQRDCGZNFSE-NSHDSACASA-N 217.316 2.790 30 20 BFED 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2.844 30 20 BFED COCCCCCOc1ccc(C#N)c(F)c1 116612818 OULWTYODLAEIFJ-UHFFFAOYSA-N 237.274 2.893 30 20 BFED C=CC[C@@H](C)NC(=O)c1cn(C)c2ccccc12 116860088 SHFYUAPNEUFOTJ-LLVKDONJSA-N 242.322 2.873 30 20 BFED C=CCN(C)CCOc1ccc(F)cc1Cl 121145374 QJYUUMQNRSHEJG-UHFFFAOYSA-N 243.709 2.976 30 20 BFED COc1cccc([C@H](C)NCC(C)(C)C#N)c1 122212262 MIIBVGWBAVDWLC-NSHDSACASA-N 232.327 2.896 30 20 BFED C=CCC[C@H](CC)NCc1ccn(C)c1 122456693 GRJSSOQNAPNAAI-ZDUSSCGKSA-N 206.333 2.860 30 20 BFED CCN(CC#N)C(=O)c1ccccc1C(C)(C)C 123225936 RRYJDOSZMXHUHO-UHFFFAOYSA-N 244.338 2.970 30 20 BFED C#CCCCCNC(=O)N[C@H](C)c1ccccc1 126338417 YGKVVKNQPHQEBF-CYBMUJFWSA-N 244.338 2.850 30 20 BFED CSCCCCC(=O)Oc1ccc(C#N)cc1 129789185 RLNWOVCVYANSBV-UHFFFAOYSA-N 249.335 2.997 30 20 BFED C#CCSCCN[C@@H](C)c1ccc(CC)o1 130003504 BZOFTWLCRJLOOZ-NSHDSACASA-N 237.368 2.859 30 20 BFED C=C[C@H](C)NCc1cc(F)c(F)c(F)c1 130504611 HPTMDMFISLUXEW-ZETCQYMHSA-N 215.218 2.768 30 20 BFED C=CCN(C(=O)c1cc(Cl)ccn1)C1CC1 131113454 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30 20 BFED CCCC[C@@H](CC)COc1cnc(C#N)nc1 488738852 ZSFHRMDZZGWOBT-LLVKDONJSA-N 233.315 2.943 30 20 BFED C#CCN(CC)CCCCC(F)(F)F 490851371 HAHLPEOWEUYVQL-UHFFFAOYSA-N 207.239 2.674 30 20 BFED C#C[C@H](CC)NC(=O)c1ccc(CSC)cc1 491513288 BJGSCJPMWFHFRC-CYBMUJFWSA-N 247.363 2.691 30 20 BFED COCc1ccc(NCC2CCC2)cc1C#N 530121367 SXNFEAHWYNZBCA-UHFFFAOYSA-N 230.311 2.917 30 20 BFED CC#CCCNC(=O)N(C1CCCC1)C1CC1 548188187 OMQWNAPIUJYKLB-UHFFFAOYSA-N 234.343 2.516 30 20 BFED C[C@H](CCC#N)SCC(=O)OC(C)(C)C 565408798 RQFQWRDLHOZUID-SECBINFHSA-N 229.345 2.754 30 20 BFED Cc1ccc([C@@H]2C[C@H]2N=c2cc[nH]c(C#N)c2)cc1 566972389 YMVRHQANZRFVCW-JKSUJKDBSA-N 249.317 2.652 30 20 BFED CN(Cc1ccc(C#N)cn1)[C@@H]1CCC(C)(C)C1 570461854 WXIZMBWDSUHLAT-CQSZACIVSA-N 243.354 2.964 30 20 BFED C[C@]1(C#N)CCCN(C(=O)[C@]2(C)CC=CCC2)C1 590723270 HPEWFYWECZXRTR-HUUCEWRRSA-N 246.354 2.885 30 20 BFED CCN(Cc1ccoc1)[C@H](C)CCC#N 591012542 GYYMYGJLLDGRPZ-LLVKDONJSA-N 206.289 2.794 30 20 BFED C[C@@H](CCC#N)N1C[C@@H](C)OC2(CCCC2)C1 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2.787 30 20 BFED C=C(C)C(C)(C)C(=O)OCc1cncc(F)c1 821452137 OQUJQAJLJJPCMO-UHFFFAOYSA-N 237.274 2.866 30 20 BFED C#Cc1ccc(CNCCC[C@@H]2CCOC2)cc1 825144424 NBIZVPLCOFRZIN-MRXNPFEDSA-N 243.350 2.574 30 20 BFED C=CCC[C@H](CO)N[C@@H](C)CSC(C)(C)C 825168578 KBYJOHBSADHXQE-NWDGAFQWSA-N 245.432 2.823 30 20 BFED C=CCN(C(=O)C(C)=C1CCC1)C(C)C 825700207 WJJUCLIAQCUFLN-UHFFFAOYSA-N 207.317 2.910 30 20 BFED C[C@H](C#N)CN(C)C[C@]1(C)CC1(Cl)Cl 827641302 MYDJDNZEULIYHM-BDAKNGLRSA-N 235.158 2.662 30 20 BFED CC(C)C#CC(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C 829664104 KWABFXIFIGWGLU-QWHCGFSZSA-N 235.371 2.977 30 20 BFED CC(=NOCC(F)(F)F)[C@H]1C[C@H]2CC[C@H]1O2 834964985 IIWVEBFXGBNSJU-IWSPIJDZSA-N 237.221 2.509 30 20 BFED CC[C@H](C)CON=C(C)c1nccn1CC 834980799 CYIILQWSBAYEQV-JTQLQIEISA-N 223.320 2.690 30 20 BFED COc1cccc(F)c1C(C)=NOC(C)C 835000348 MHMDHIQRXZUZGI-UHFFFAOYSA-N 225.263 2.983 30 20 BFED CC(=NNc1ccncn1)c1cc(C)c(C)o1 835001872 QUNXWPVXCGZZJN-UHFFFAOYSA-N 230.271 2.523 30 20 BFED C[C@H]1C[C@H](C(=O)O[C@H](C)CC#N)CC[C@H]1C 835162975 WXKJYXKTPAETBA-WRWGMCAJSA-N 223.316 2.904 30 20 BFED C=CC(C)(C)COC(=O)C[C@H](C)SC 835724100 FSWQUMBKAHGRSS-VIFPVBQESA-N 216.346 2.883 30 20 BFED C=C(CC)CNC(=O)C(F)(F)c1ccccc1 837101223 QSAZSGOTCZAMSH-UHFFFAOYSA-N 239.265 2.861 30 20 BFED C#CCC(C)(C)C(=O)Nc1cc(C)cc(C#N)c1 837141177 GZNKEHOJIKZLGW-UHFFFAOYSA-N 240.306 2.855 30 20 BFED C[C@@H](CCNC(=O)C#CC1CC1)c1ccccc1 837381658 MPCNJVIHMYDQQS-ZDUSSCGKSA-N 241.334 2.710 30 20 BFED CC(C)(C)C#CC(=O)Nc1ncc(Cl)s1 837436453 AVKRDQMKTWBNOA-UHFFFAOYSA-N 242.731 2.785 30 20 BFED Cc1ccoc1CN(C)C(=O)C#CC(C)(C)C 837669027 ZNYUZJZMDCQOMS-UHFFFAOYSA-N 233.311 2.596 30 20 BFED C#C[C@H](NCc1ccc(N(C)C)cc1C)C(C)C 840945002 UFAMMTBDEJXCEI-INIZCTEOSA-N 244.382 2.808 30 20 BFED CC1=C(C)C[C@@H](C(=O)O[C@H](C)CC#N)CC1 842716485 HDYFFCHCIZYVDD-NEPJUHHUSA-N 221.300 2.968 30 20 BFED C#CC1CCN(CCCc2ccc(C)nc2)CC1 843426998 QBOIVPOMIQTHRP-UHFFFAOYSA-N 242.366 2.668 30 20 BFED C=C(C)CONC(=O)[C@@H](CC)Cc1ccccc1 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Cc1cccc(O)c1CN(CCC#N)CC1CC1 876692174 YYUKRPHOWXAUHL-UHFFFAOYSA-N 244.338 2.826 30 20 BFED C=C(CC)CNc1ccnc(F)c1[N+](=O)[O-] 882432698 XWDHEQXBKIHTHN-UHFFFAOYSA-N 225.223 2.507 30 20 BFED CCC(CC)C(=O)Nc1cccc(CC#N)n1 882477680 UTRNFGVQKIIGDO-UHFFFAOYSA-N 231.299 2.522 30 20 BFED CC(C)(CC#N)CNc1nccc2cccnc12 884527638 WLUAFBAVBAEKBT-UHFFFAOYSA-N 240.310 2.982 30 20 BFED C=CCCCN(C)[C@@H](CO)c1ccccc1C 886433852 VSHRCSLFNKHORI-HNNXBMFYSA-N 233.355 2.926 30 20 BFED C=C(CC)CN(C)[C@@H](CO)c1ccccc1C 886439099 PRQZONSVDJFPEW-HNNXBMFYSA-N 233.355 2.926 30 20 BFED C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@H]2C3)cc1 890310684 UUUXLASZYJENNT-ZFWWWQNUSA-N 239.318 2.683 30 20 BFED Cc1cc(CN2CCC[C@H](C#N)C2)c(C)o1 896503290 MOGSJHFICKEQRH-GFCCVEGCSA-N 218.300 2.632 30 20 BFED C=C1CC(c2noc(-c3cncnc3CC)n2)C1 896875264 BDDVIVQMOOPNOU-UHFFFAOYSA-N 242.282 2.523 30 20 BFED C=CC(C)(C)CC(=O)NOCc1cccc(C)n1 898928949 NGEZPTYVPYYRKR-UHFFFAOYSA-N 248.326 2.540 30 20 BFED Cc1ccc(C[C@@H](C#N)SC2COC2)cc1 901644783 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RNSVBKFSYDXIMJ-OLZOCXBDSA-N 221.344 2.683 30 20 BFED C[C@@H](C#N)CN(C)CCCCC1(C#N)CCC1 929475233 VPGFNPQGSNSGOR-ZDUSSCGKSA-N 233.359 2.942 30 20 BFED C#CC[C@H](NCCOC1CC1)c1ccccc1 930221329 SRTVNFCEBDIZBW-HNNXBMFYSA-N 229.323 2.520 30 20 BFED COc1cc(CN2CCC[C@H](C#N)C2)ccc1C 932155169 XWWANMWCVSWFAO-CQSZACIVSA-N 244.338 2.739 30 20 BFED CCc1ccc2c(c1)CCN2CCOCCC#N 934903083 XNUZPFIGSZWQOK-UHFFFAOYSA-N 244.338 2.542 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)[C@@H](F)c1ccccc1 1121253238 OGUPHXDWGQBDCR-STQMWFEESA-N 248.301 2.848 30 20 BFED CN(c1ccnc(C#N)c1)[C@@H]1CCC(C)(C)C1 1163210552 SNELVHWSTKMIAS-CYBMUJFWSA-N 229.327 2.968 30 20 BFED C=C(C)CCC(=O)NC[C@H]1CCCCS1 1262618417 VYVUFFFVDUDMER-LLVKDONJSA-N 227.373 2.745 30 20 BFED Cc1nnc(Sc2cc(C)c(C#N)cn2)s1 1306911227 PNHBQSWQUCBGEJ-UHFFFAOYSA-N 248.336 2.573 30 20 BFED C=CCOc1cc(OC)ccc1-c1nnc(C)o1 1322184763 LWEGPQHZNKUJFD-UHFFFAOYSA-N 246.266 2.618 30 20 BFED C#Cc1cccc(NC(=O)NC/C=C/C2CC2)c1 1324879897 GHLORRAFRQGTRK-GQCTYLIASA-N 240.306 2.756 30 20 BFED COc1ccccc1CON=C[C@@H](C#N)C(C)C 1325141323 WTXSWMPRIVVICO-CYBMUJFWSA-N 246.310 2.993 30 20 BFED C=C[C@H](C)ONC(=O)c1cc(C)n(C2CC2)c1C 1328832659 PNGOTICVQZHTLM-JTQLQIEISA-N 248.326 2.676 30 20 BFED CC#CCCCC(=O)N1CCC[C@H]1CCC 1336134325 AMCGTVQAEVDDJG-CYBMUJFWSA-N 221.344 2.971 30 20 BFED C=C(C)CN(C)C(=O)c1ccnn1[C@@H](C)CC 1340648336 RIKPHUXQNQLOPN-NSHDSACASA-N 235.331 2.502 30 20 BFED C=C(C)[C@@H](C)OC(=O)c1ccnn1[C@H](C)CC 1343308952 RUHKWQGYXXJWFB-GHMZBOCLSA-N 236.315 2.976 30 20 BFED C=C[C@@H](CC)CC(=O)OCC(C)(F)F 1344243599 UUWPXWDUCMLJLN-QMMMGPOBSA-N 206.232 2.787 30 20 BFED CC1=C(C(=O)[C@H](C#N)c2cccc(F)n2)CCC1 1357599355 VDCJVNJMMFMXBD-LLVKDONJSA-N 244.269 2.897 30 20 BFED CC[C@@H](F)C(=O)O[C@@H](C)CC#Cc1cccnc1 1525833040 JPYZRNXRADEEFQ-WCQYABFASA-N 249.285 2.503 30 20 BFED CCC(CC)c1cc(N(C)CCC#N)ncn1 1537960242 CNEFFLSGTCXFAC-UHFFFAOYSA-N 232.331 2.730 30 20 BFED C=C(CC)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1F 1548651844 LZGXFUHHSSNRMG-UKRRQHHQSA-N 247.313 2.938 30 20 BFED C=C(CC)C(=O)Nc1ccc(C(=O)O)c(C)c1 1573329816 NNOCWSSORMQVKY-UHFFFAOYSA-N 233.267 2.598 30 20 BFED O=C(O)c1ccc(C=NOC2CCCCC2)o1 1602333340 VQQUTYQFHXYCCA-UHFFFAOYSA-N 237.255 2.661 30 20 BFED C=C[C@H](N[C@@H]1CCC[C@H]1CCC(C)C)C(=O)O 1609266961 HBGPYWNEFAFWCZ-RWMBFGLXSA-N 239.359 2.820 30 20 BFED C#Cc1nc2c(OCC)cccc2s1 1898236304 PVQWLGZZNLSCCS-UHFFFAOYSA-N 203.266 2.676 30 20 BFED C=CCOc1ccc(CCC(C)=O)cc1 19514300 HCUUGDWBBQYNPV-UHFFFAOYSA-N 204.269 2.773 30 20 BFED O=CCSc1ccccc1Br 43803882 LMDOKBOXYVDHDM-UHFFFAOYSA-N 231.114 2.740 30 20 BFED CC[C@@H]1CCCN(C(=O)C2(C#N)CCCC2)C1 44317426 HXIHEFHNTMQBJS-GFCCVEGCSA-N 234.343 2.719 30 20 BFED CC[C@@H](C#N)C(=O)N(C)C1CCC(C)CC1 44824564 IFPZAJCVCOQVDW-CXQJBGSLSA-N 222.332 2.573 30 20 BFED C=CCN(CC=C)C(=O)c1cccc(Cl)n1 51072736 JPYRWJZQTOHIOH-UHFFFAOYSA-N 236.702 2.549 30 20 BFED C#CCN(Cc1ccco1)C1CCCC1 52077140 KJXHMPQSTSIFCY-UHFFFAOYSA-N 203.285 2.657 30 20 BFED CC(C)CN(C)C(=O)Nc1ccc(CC#N)cc1 62379289 KTSIGGOYKJGVLA-UHFFFAOYSA-N 245.326 2.872 30 20 BFED N#Cc1c(F)cccc1NC[C@@H]1CCC[C@@H](O)C1 78305059 BOGDTTMEQKVFAR-GHMZBOCLSA-N 248.301 2.660 30 20 BFED Cc1cccc(C)c1NC(=O)NC[C@@H](C)C#N 84907665 DMQUYDXQBIYUSB-VIFPVBQESA-N 231.299 2.585 30 20 BFED C[C@H](CCO)Sc1cccc(F)c1C#N 85485994 NQBZMTNMAWRZFX-MRVPVSSYSA-N 225.288 2.560 30 20 BFED C[C@@H]1CN(c2ccc(C#N)cc2)C[C@H]1C 90824906 DCEYETPYUWRUDM-GHMZBOCLSA-N 200.285 2.650 30 20 BFED CCN(C[C@@H](C)C#N)CC(C)(C)CCC#N 91984327 WGKPWRDAQGNURO-LBPRGKRZSA-N 221.348 2.798 30 20 BFED C[C@@H](NC[C@]1(C)CCCO1)c1cccc(C#N)c1 94797200 BAGFEVYJDCZHHQ-DOMZBBRYSA-N 244.338 2.778 30 20 BFED CN(C)C1(CNc2ccc(F)cc2C#N)CCC1 97932683 KUYJARVMUFKYRX-UHFFFAOYSA-N 247.317 2.594 30 20 BFED CCC(=O)Nc1cc(C#N)ccc1OC(F)F 102746871 WNSAEAIKXJYHKK-UHFFFAOYSA-N 240.209 2.508 30 20 BFED C=CC1CCN(C(=O)c2ccc(C)cc2O)CC1 110367783 YHXZNTCWXQDYGU-UHFFFAOYSA-N 245.322 2.739 30 20 BFED Cc1cc(C(=O)N2CCC(C#N)CC2)sc1C 110483187 LTYVOKCSJAYIEF-UHFFFAOYSA-N 248.351 2.741 30 20 BFED C=CCCC(=O)N[C@@H](C)c1csc(CC)n1 110505754 RHEMWKKHODQFHV-VIFPVBQESA-N 238.356 2.849 30 20 BFED CC1CCC(=CC(=O)N[C@H](C)CC#N)CC1 114683460 BVZOXCZCBCIXDH-RRKGBCIJSA-N 220.316 2.541 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@@H](C)[C@@H]1CCOC1 119633219 UFZPCHYNFOJLQA-ZDEQEGDKSA-N 211.349 2.602 30 20 BFED C=CCC[C@H](NCCCCOC)C1CC1 120202121 JZGZQCNXTBMTIU-ZDUSSCGKSA-N 211.349 2.747 30 20 BFED C[C@H](C#N)Nc1ccccc1OCC(F)F 123303004 SIRQXALRWRLCFS-MRVPVSSYSA-N 226.226 2.654 30 20 BFED CC[C@@H](C#N)Sc1nnc(C2CC2)s1 127784709 ZEAZNVNQYZPSGC-ZETCQYMHSA-N 225.342 2.810 30 20 BFED N#Cc1ccc(OCCCCCCO)c(F)c1 134598868 LILNLDVPLAIWEY-UHFFFAOYSA-N 237.274 2.629 30 20 BFED C=C[C@@](C)(CC)C(=O)NCC[C@H]1CCCCO1 135174114 VHOZBZLGCIPSIK-OCCSQVGLSA-N 239.359 2.664 30 20 BFED C#CCCOc1ccc(CNCCCF)cc1 136513617 FYEHKIHCRUBGNK-UHFFFAOYSA-N 235.302 2.538 30 20 BFED Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)nn1C 159652465 CNOPDJWYBFFVPS-NSHDSACASA-N 240.310 2.773 30 20 BFED C=C(C)CN(C)Cc1cccc(N(C)C)c1 159845218 DQXVHAFKDHPGRC-UHFFFAOYSA-N 218.344 2.761 30 20 BFED 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247.338 2.846 30 20 BFED C#CCCCCC(=O)N1C[C@@H](C)C[C@H](C)C1 179612513 TXLUMZMKXDSCAH-STQMWFEESA-N 221.344 2.685 30 20 BFED C=C(C)CN(C)CCCOc1ccc(C#N)cc1 181258370 WILSEXMYVQBYAT-UHFFFAOYSA-N 244.338 2.835 30 20 BFED C=CCNc1nc([C@@H]2CCCOC2)cs1 183874545 NCMUSTKIERFIEO-SECBINFHSA-N 224.329 2.635 30 20 BFED CC(C)(C)[C@H](C#N)OC(=O)c1cc(C#N)cs1 184927141 GMDJKEMFUGVEIQ-JTQLQIEISA-N 248.307 2.715 30 20 BFED Cc1nc(NC[C@H](C)C#N)c2c(C)csc2n1 185161182 CQFTUUWOSXEZBR-SSDOTTSWSA-N 246.339 2.880 30 20 BFED C#CCCCN[C@H](CCC)c1cccnc1 185580990 ZQXNDVNKBXIDPM-CQSZACIVSA-N 216.328 2.926 30 20 BFED C/C=C(/CC)C(=O)N[C@H](C#N)C1CCCCC1 189112987 KSFKDNHTRLAOHU-BXVXIVLCSA-N 234.343 2.931 30 20 BFED Cc1cncc(N[C@@H]2CCC[C@H](C#N)C2)c1 193102370 HMNDHEJLWMHQQF-NWDGAFQWSA-N 215.300 2.884 30 20 BFED C=CCC[C@@H](C)NCCN(C)[C@@H](C)CC 230660532 PDPVRBHAKXPFFT-OLZOCXBDSA-N 212.381 2.661 30 20 BFED CC(C)CCC[C@H](C)Nc1nccc(C#N)n1 231898394 GJOWHTADINPVJL-NSHDSACASA-N 232.331 2.975 30 20 BFED C[C@H]1C[C@H](Nc2nccc(C#N)n2)CC[C@H]1C 231902630 NKKAVRZJWDLNHE-OUAUKWLOSA-N 230.315 2.585 30 20 BFED C[C@H](C(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 235437432 JCDULFOZDVWRGC-STQMWFEESA-N 242.322 2.552 30 20 BFED C=CCC[C@H](O)CN1C[C@H](C)[C@H]2CCCC[C@H]21 248431592 QBZAHUSXNDBGRM-BYNSBNAKSA-N 237.387 2.824 30 20 BFED C[C@H](NC(=O)C1(C#N)CCC1)[C@@H]1C[C@H]2CC[C@H]1C2 252661653 NPHOFRTXDPUXMD-CYDGBPFRSA-N 246.354 2.621 30 20 BFED CCOCCNc1c(Cl)cccc1C#N 266353416 JVCOWAPKPBPFGR-UHFFFAOYSA-N 224.691 2.660 30 20 BFED C=C1CCN(C(=O)c2ccc(F)c(OC)c2)CC1 268631783 OWVJTVRSAFDLBG-UHFFFAOYSA-N 249.285 2.627 30 20 BFED C=CCCCC(=O)Nc1ccc(O)cc1 269609436 LHHGPJPMVZAMRE-UHFFFAOYSA-N 205.257 2.687 30 20 BFED CCN(CCC#N)C(=O)C1=CCCCCC1 274691959 QHKRGPJWHOBYGZ-UHFFFAOYSA-N 220.316 2.639 30 20 BFED CC[C@H](Cc1ccccc1)N(CC)C(=O)CC#N 274783510 KRTSUSOAAPXDJY-CQSZACIVSA-N 244.338 2.770 30 20 BFED C=CCCN(C)Cc1cccc(C)c1O 276097262 DXZDLXVVWVWQHI-UHFFFAOYSA-N 205.301 2.709 30 20 BFED C=CCCN(C)C(=O)Nc1ncc(CC)s1 276182876 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C=C(Cl)CNC(=O)C=C(CC)CC 308168663 BTUPOPRUUVCABY-UHFFFAOYSA-N 201.697 2.602 30 20 BFED C[C@@H](CC#N)NC/C=C\c1ccccc1 308758127 ZLXBJYGYUIYNCB-JECSTDCCSA-N 200.285 2.592 30 20 BFED N#CCc1cccc(N[C@H]2CC=CCC2)n1 309607284 YINHIDCFLPHFBG-NSHDSACASA-N 213.284 2.668 30 20 BFED CCC[C@H](C)NCCc1cccc(C#N)c1 309990733 AWRBZUPSKGUDOO-LBPRGKRZSA-N 216.328 2.879 30 20 BFED C[C@H](C#N)C(=O)N1CC[C@@H](C)c2ccccc21 310181036 UCCWXTPOCAXLBM-GHMZBOCLSA-N 228.295 2.686 30 20 BFED C=CCCCN(C)C[C@H](C)C(=O)OC(C)(C)C 320436115 ZKKYXRSWZVNHNO-LBPRGKRZSA-N 241.375 2.862 30 20 BFED CC[C@H](C)CN(C)C(O)=Nc1c(C)noc1C 330500267 NVIRDZOAMHXRAD-QMMMGPOBSA-N 239.319 2.815 30 20 BFED Cc1nccc(N/C(O)=N/CCCC(C)C)n1 330888087 UAIBLAVEDJSETI-UHFFFAOYSA-N 236.319 2.547 30 20 BFED CC(C)CC[C@@H](C)/N=C(/O)c1csc(O)n1 330976320 MDEPZRPKKHPBAV-MRVPVSSYSA-N 242.344 2.978 30 20 BFED C[C@@H]1CCCCN(C(=O)N[C@H]2CCC[C@@H]2C#N)C1 331413868 GMXQOSCZCGKLPR-UPJWGTAASA-N 249.358 2.510 30 20 BFED CN(C(=O)c1ccc(C#N)s1)C1CC(C)(C)C1 335421351 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225.242 2.580 30 20 BFED C=CCSCCN[C@H](COC)C1CCCC1 309457566 MWZOLOOBHRUAPN-CYBMUJFWSA-N 243.416 2.700 30 20 BFED C[C@H](C#N)CNC[C@@H](C)c1ccc(F)cc1 309554899 JJNJATCWUDQTCE-GHMZBOCLSA-N 220.291 2.678 30 20 BFED CC1(CNc2ccc(OCC#N)cc2)CC1 309762971 JBXZHPHKGUIIBC-UHFFFAOYSA-N 216.284 2.801 30 20 BFED N#Cc1nccc(N2CCC3(CCCCC3)C2)n1 311131058 AVVSNCDVDMSLCQ-UHFFFAOYSA-N 242.326 2.509 30 20 BFED CCC1CCC(C(=O)N(C)[C@@H](C)C#N)CC1 328330194 HZDUQSIRCOOLDH-UNXYVOJBSA-N 222.332 2.573 30 20 BFED Cc1cnc(N=C(O)c2ccnc(C3CC3)c2)[nH]1 329355784 ZDFGKWGCGWWEQB-UHFFFAOYSA-N 242.282 2.627 30 20 BFED CC[C@@H]1C[C@@H](C(O)=Nc2ccnnc2C)CCO1 329668941 MASJQYWACLJBLQ-WDEREUQCSA-N 249.314 2.578 30 20 BFED CCc1ocnc1/C(O)=N/[C@@H](C)C(C)C 330875497 ZUUHGBBQRMUFDD-QMMMGPOBSA-N 210.277 2.586 30 20 BFED C[C@@H]1CCC(=O)[C@H](Sc2cc(C#N)ccn2)C1 334665055 BQJKACLSKBLFJA-BXKDBHETSA-N 246.335 2.803 30 20 BFED C=CCC1(C(=O)N2CC[C@](C)(F)C2)CCC1 335751583 GXJRWAVFSOWVHW-LBPRGKRZSA-N 225.307 2.693 30 20 BFED 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BFED C=C(C)CNC(=O)N[C@H](C)CCc1ccccc1 156492820 JDTUVHPKUXNNNC-CYBMUJFWSA-N 246.354 2.883 30 20 BFED C=C(C)CNC(=O)NC1CCCCCC1 156565479 PRQAVEFFAZGIIO-UHFFFAOYSA-N 210.321 2.585 30 20 BFED CCN(CC#N)CC#Cc1cccc(Cl)c1 158025251 ONLAJARLILQWNN-UHFFFAOYSA-N 232.714 2.537 30 20 BFED C#CCN[C@@H](c1ccc(OC)cc1)C(C)C 161700713 QQYQTGASCLRCBI-CQSZACIVSA-N 217.312 2.615 30 20 BFED C=CCCNC(=O)CCOc1cc(C)ccc1C 162238248 TZXRZXGMTVVJGU-UHFFFAOYSA-N 247.338 2.765 30 20 BFED C=CC[C@H](C)[C@H](C)NC[C@@](C)(O)[C@@H](C)CC 163812753 DOVPZCWMYXILSP-XDQVBPFNSA-N 227.392 2.974 30 20 BFED C=C(Cl)CN[C@@H](C)c1cc(F)ccc1O 164632468 GYYGXYSOKGYEPZ-QMMMGPOBSA-N 229.682 2.934 30 20 BFED Cc1cc(C(=O)Nc2ccccc2C#N)ccn1 170233957 RBIURKWIPXYXPB-UHFFFAOYSA-N 237.262 2.514 30 20 BFED C#CCCOC(=O)CCOc1cc(C)ccc1C 170718009 OILAVJXXBJAQET-UHFFFAOYSA-N 246.306 2.639 30 20 BFED CCCCCCCC(=O)NCCNC(C)(C)C 170796220 LQAXJYUGYVSASV-UHFFFAOYSA-N 242.407 2.851 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccc2ncsc2c1 172322491 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30 20 BFED C#C[C@@H](CC)NCc1ccc(Cl)c(F)c1 229900836 XOQSGPPJWSGNDQ-JTQLQIEISA-N 225.694 2.981 30 20 BFED C[C@H]1CC[C@H](CNC(=O)c2cccc(C#N)c2)C1 230425173 SHKVAWNFYCRQFU-AAEUAGOBSA-N 242.322 2.724 30 20 BFED CC(C)(C#N)CNCc1cc(F)c(F)cc1F 230687114 YMJCRBLGSKGEBR-UHFFFAOYSA-N 242.244 2.743 30 20 BFED C[C@@H]1C[C@H]1CNc1nccc(C#N)c1Cl 235313163 OWDSDYBBQTXBSI-APPZFPTMSA-N 221.691 2.675 30 20 BFED C[C@@H]1OCC[C@H]1N[C@H](CCC#N)c1ccccc1 246527889 VCXDQSRJVCFJLU-NWANDNLSSA-N 244.338 2.798 30 20 BFED CCC(C=NN1C(=O)c2ccccc2C1=O)CC 254626786 CHQVCGBVLBCRTM-UHFFFAOYSA-N 244.294 2.705 30 20 BFED C#C[C@@H](CC)/N=C(/N)Nc1cccc(C(C)C)c1 262404435 BJVYNWYIWFWMAQ-ZDUSSCGKSA-N 243.354 2.948 30 20 BFED C=CCN(C(=O)c1ccc2c(c1)CCC2)C1CC1 271317235 ADNFFYZHTAEVSJ-UHFFFAOYSA-N 241.334 2.966 30 20 BFED C=CCN(C(=O)c1cc2ccccn2c1)C1CC1 271427024 QYQUNYZFZLXMLX-UHFFFAOYSA-N 240.306 2.730 30 20 BFED C#CCCN[C@@H](C)C(C)(C)c1ccccc1 271779055 HFJYZPZADWVKEF-ZDUSSCGKSA-N 215.340 2.966 30 20 BFED 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C=CCOCCN1CCc2sccc2[C@@H]1C 293326403 CNMMOJDLZIEYCW-NSHDSACASA-N 237.368 2.870 30 20 BFED Cc1csc(C(=O)N[C@](C)(C#N)C(C)C)c1 294383268 CATYMPAECLQJPQ-GFCCVEGCSA-N 236.340 2.725 30 20 BFED C=CC(C)(C)C(=O)N1CCSC(C)(C)C1 295205538 WOFFCWDZJXCVKS-UHFFFAOYSA-N 227.373 2.553 30 20 BFED CCN(CC#N)[C@H]1CCCc2ccccc21 298108179 LWRFLVHQHQXFFU-AWEZNQCLSA-N 214.312 2.909 30 20 BFED CC(C)c1ccc(C(=O)NC2(C#N)CCC2)cc1 299535410 UXYWMIWJKUEMQL-UHFFFAOYSA-N 242.322 2.986 30 20 BFED C[C@H]1CC[C@H](C)N1c1ccc(C#N)cc1[N+](=O)[O-] 301640898 YSEAVCYHDNABEZ-UWVGGRQHSA-N 245.282 2.844 30 20 BFED C[C@H]1CC(C)(C)CC[C@H]1Nc1ccc(C#N)nn1 301951675 BRYIQDDCGJNYST-CMPLNLGQSA-N 244.342 2.975 30 20 BFED C#C[C@H](NCc1ccc(N(C)C)cc1)C(C)C 302292142 GMMTVGNFLWSAFK-HNNXBMFYSA-N 230.355 2.500 30 20 BFED N#Cc1ccc(N[C@@H]2C[C@H]3OCCC[C@@H]23)cc1 302563547 NTCNCRMSAXCWBH-BFHYXJOUSA-N 228.295 2.538 30 20 BFED C[C@H](C#N)OCCSCC(C)(C)C 308273741 UDMNRGBZZPKLBX-SECBINFHSA-N 201.335 2.694 30 20 BFED C=CCCCCNc1ncncc1Cl 308634191 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JPACVDPZDLUXGS-NWDGAFQWSA-N 225.307 2.762 30 20 BFED C=CC[C@H](CO)CN[C@H](C)Cc1ccccc1C 341872016 DZRDAKBEERHJIO-CABCVRRESA-N 247.382 2.700 30 20 BFED C=CC[C@@H](CO)CNC(=O)C(CCC)CCC 342189633 ZTCYCMHHNZSNNZ-GFCCVEGCSA-N 241.375 2.504 30 20 BFED C=C[C@](C)(CC)C(=O)N(C)CC[C@H]1CCCO1 342502394 BJMJYQBZJYLVAL-TZMCWYRMSA-N 239.359 2.616 30 20 BFED N#C[C@@H]1CCC[C@@H]1NCc1nc(C2CC2)cs1 342793370 INGQXQDCHISGFG-QWRGUYRKSA-N 247.367 2.802 30 20 BFED CC[C@@H](CC(F)(F)F)N=c1cc[nH]c(C#N)c1 342828386 CVLADUIADANXST-QMMMGPOBSA-N 243.232 2.518 30 20 BFED C=CCOCC(=O)NCC[C@@H](C)CC(C)(C)C 344167700 AEIRZOLCTSUXTN-GFCCVEGCSA-N 241.375 2.768 30 20 BFED CC#CCNc1cc(C)ccc1-n1cc(C)cn1 344478875 BXUSYXXLHODDQL-UHFFFAOYSA-N 239.322 2.924 30 20 BFED C=C(CNC(=O)[C@@H]1CCSC1)c1ccccc1 345730670 PXXUNHDYWIKTHY-CYBMUJFWSA-N 247.363 2.569 30 20 BFED C=CCCN1CCC[C@H]1c1cccnc1 346968619 LFFULQWICRPGMX-ZDUSSCGKSA-N 202.301 2.795 30 20 BFED C=CCOCCCN(C)Cc1ccccc1F 347965662 DUQPGIFKNNXBHZ-UHFFFAOYSA-N 237.318 2.850 30 20 BFED C=CCCN(CC(=C)C)Cc1ccc(CO)o1 352800855 QLCGTPPLLLUEDL-UHFFFAOYSA-N 235.327 2.726 30 20 BFED C[C@@H](C#N)CN(C)CCCCOC(C)(C)C 354901293 YRYGIXYTNSXZAX-LBPRGKRZSA-N 226.364 2.673 30 20 BFED N#Cc1ncccc1N[C@@H]1C[C@@H]1Cc1ccccc1 357497840 BJIDSQGAGDAMTM-DZGCQCFKSA-N 249.317 2.996 30 20 BFED C[C@H]1CC(NC(=O)CCCC#N)C[C@H](C)C1 360263057 XAVQGSTWADWVAW-GHMZBOCLSA-N 222.332 2.621 30 20 BFED C=C(C)CN(CC)CCCO[C@H]1CCCCO1 361268773 XDBWEJUDLRHJOZ-AWEZNQCLSA-N 241.375 2.818 30 20 BFED C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1C 361824517 DIDCYOOMRVSPKV-GHMZBOCLSA-N 232.302 2.785 30 20 BFED CC(C)CC1(C(=O)N[C@@H](C#N)C(C)C)CCC1 362052879 BLJVRHUZMSHCFP-LBPRGKRZSA-N 236.359 2.867 30 20 BFED C=C[C@H]1CCCCN1c1ccnc(C)c1 362841740 JHUUOIMQGNOKOU-LBPRGKRZSA-N 202.301 2.935 30 20 BFED C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)s1 362972044 HJMAFRJZUCAMRP-ONGXEEELSA-N 248.351 2.928 30 20 BFED C#C[C@@](C)(CC)NC(=O)c1ccc(OCC)cc1 384182153 QOLAHIFUDKRGOT-HNNXBMFYSA-N 245.322 2.617 30 20 BFED C=C(C)CCNC(=O)c1ccc(OC)cc1F 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BFED C=CCN(CCCNC)CC1CCCCC1 435886599 ZLLQHJOFPDOIOI-UHFFFAOYSA-N 224.392 2.664 30 20 BFED C=CCCCN(C)C(=O)N[C@@H]1CC[C@H](C)C1 444148836 VDYBQQJBJGJZLJ-NWDGAFQWSA-N 224.348 2.783 30 20 BFED C=CCCC[C@H](C)NC(=O)c1ccnc(C)c1 447548067 FSTCWUIWOZECDQ-NSHDSACASA-N 232.327 2.865 30 20 BFED C=C(C)CCNC(=O)Cc1ccccc1Cl 448550546 FBPOOAQGPVHXPY-UHFFFAOYSA-N 237.730 2.965 30 20 BFED C=CC[C@H](CC)NC(=O)CCCC(=O)C1CC1 451419071 KMANQDNMKRJIPP-LBPRGKRZSA-N 237.343 2.607 30 20 BFED C=CCCC(=O)NC[C@@H]1CCC[C@H]1CC 452534650 VJCVXCKVFBZQJF-NEPJUHHUSA-N 209.333 2.895 30 20 BFED C=C(C)COCCN[C@@H](CC)c1ccncc1 453150273 SGPNOGYTUHZFLN-AWEZNQCLSA-N 234.343 2.715 30 20 BFED C=CC(C)(C)CN[C@@H](C)c1nccn1CC 453304548 FSRDQWBHKYCUBP-NSHDSACASA-N 221.348 2.766 30 20 BFED C=CCC1(CNC(=O)N2CCCC2)CCCC1 454322940 LONSGHGFZCIQOV-UHFFFAOYSA-N 236.359 2.928 30 20 BFED C=CC[C@H](CC)NC(=O)NC/C=C\CC 454920572 UUYRNQPYLKRJED-TVRMLOFPSA-N 210.321 2.607 30 20 BFED C=C[C@@H](C)NC(=O)c1ccc(C(=O)CC)cc1 471970431 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30 20 BFED C=CCN(CCC#N)Cc1ccc(Cl)cn1 574467628 ZLPRJMRKWRMNEY-UHFFFAOYSA-N 235.718 2.637 30 20 BFED C=C(CC)CNC(=O)NCC(C1CC1)C1CC1 576593926 OLIBEXXYDUPIEJ-UHFFFAOYSA-N 236.359 2.688 30 20 BFED CCc1cccc(OCCN[C@@H](CC)CC#N)c1 582913876 XKSWHIQSSHVVMI-AWEZNQCLSA-N 246.354 2.910 30 20 BFED C[C@H]1C[C@@H](CC(=O)N2CC(C#N)C2)CC(C)(C)C1 590491514 BXAHNVIWYVEHEF-RYUDHWBXSA-N 248.370 2.821 30 20 BFED CC[C@H](C#N)C(=O)NC[C@@H]1C[C@H]1C1CCCCC1 593731435 XNLSEIZFMYSUFL-XBFCOCLRSA-N 248.370 2.869 30 20 BFED C=CCN(Cc1ccccc1C#N)[C@@H](C)COC 595638237 DHVLCCQMMKPRFK-ZDUSSCGKSA-N 244.338 2.581 30 20 BFED C=CCCNC(=O)N[C@@H]1CCC[C@@H](SC)C1 595715539 ANFJKNUYJRAVPH-GHMZBOCLSA-N 242.388 2.536 30 20 BFED N#Cc1cn[nH]c(=NCCCC2CCCCC2)c1 596073205 HLXWLAUCCATWCS-UHFFFAOYSA-N 244.342 2.543 30 20 BFED Cn1ncc(C#N)c1N[C@H]1C[C@H]1C1CCCCC1 596141784 ODHAYUILSRCKJE-STQMWFEESA-N 244.342 2.672 30 20 BFED N#CC[C@H]1CCCN(c2ccc(Cl)cn2)C1 596329453 FDTDUHHKXSMAGP-SNVBAGLBSA-N 235.718 2.865 30 20 BFED 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BFED C#CCCN1C[C@H](C)Oc2cc(C)ccc21 760843821 QCJGUXJLTQELQW-LBPRGKRZSA-N 215.296 2.606 30 20 BFED CCCCNN=Cc1cnc(C2CC2)s1 761806362 ZMHDVZNRBPMOQH-UHFFFAOYSA-N 223.345 2.744 30 20 BFED FC(F)(F)CON=C1CCOc2ccccc21 764839543 JQVNOZYOTNFSTD-UHFFFAOYSA-N 245.200 2.752 30 20 BFED C=CC[C@H]1N(C(=S)NCC)CCCC1(C)C 766525901 RDJYGRUIGJIYJU-LLVKDONJSA-N 240.416 2.948 30 20 BFED C#CCOC(=O)C(C)(C)C1CCCCC1 767049463 UGZZHJVRJNBXDW-UHFFFAOYSA-N 208.301 2.769 30 20 BFED CC(=NNC[C@H](C)C#N)c1cc2ccccc2o1 771107461 NJZGUNFJXLTLJN-SNVBAGLBSA-N 241.294 2.906 30 20 BFED C#C[C@H](CC)NC(=O)NCC(C(C)C)C(C)C 772404193 GXVBYHCEPVEKPV-GFCCVEGCSA-N 238.375 2.626 30 20 BFED CC#CCCOC(=O)[C@H]1CCCC1(C)C 772604936 ZDOAHZHYLRRNEN-LLVKDONJSA-N 208.301 2.769 30 20 BFED CCOCCON=Cc1cc(C)cc(C)c1 774422211 JFZKKUDRQSRZJO-UHFFFAOYSA-N 221.300 2.690 30 20 BFED C#C[C@H](N[C@@H](C)c1ccc(F)cc1)[C@H]1CCCO1 775571217 CSXAZJKFVSYLMZ-TUKIKUTGSA-N 247.313 2.657 30 20 BFED CNc1ccccc1C(=O)OCCC(C)(C)C#N 776360520 BEWUDGAABMSTED-UHFFFAOYSA-N 246.310 2.825 30 20 BFED C=CCOCC(=O)OCCCc1cccc(C)c1 778116657 SCCQCGMZNMTKIJ-UHFFFAOYSA-N 248.322 2.673 30 20 BFED C=C1CCN(C(=O)/C(C)=C(/C)CC)CC1 780930744 FELQIOJHOAXROJ-QXMHVHEDSA-N 207.317 2.911 30 20 BFED C=CCCOC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C 781309494 XYKVGYLWGZSLFQ-GHMZBOCLSA-N 238.327 2.747 30 20 BFED C#CCN(CC)Cc1cc(Cl)cc2c1OCC2 783438830 KEQUJGBPUMNXSI-UHFFFAOYSA-N 249.741 2.730 30 20 BFED CCCNC(=S)NN=C[C@@H]1CCCC[C@@H]1C 783808355 SBKRAQUTWHHIJA-QWRGUYRKSA-N 241.404 2.673 30 20 BFED C=CCNC(=S)N[C@H]1CCCC(C)(C)C1 785467197 BMEMEMCWGWORKW-JTQLQIEISA-N 226.389 2.605 30 20 BFED C=C[C@](C)(CC)C(=O)OCc1cc(OC)ccn1 785770574 YBTFQVIITKVXGB-CQSZACIVSA-N 249.310 2.736 30 20 BFED C=CCCOC(=O)c1cc(O)ccc1Cl 785868575 IGBAIHYYDMDGCA-UHFFFAOYSA-N 226.659 2.779 30 20 BFED CC[C@@H](C)CCCCC(=O)NCCC#N 787627877 RUZQFAXOELFMLP-LLVKDONJSA-N 210.321 2.623 30 20 BFED CC(=NNc1ccc(F)cc1)c1cc(C)on1 790281103 CFBFCSKCHNPXHB-UHFFFAOYSA-N 233.246 2.958 30 20 BFED CCc1ccc(C(C)=NNc2nccn2C)cc1 790299707 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CCC(=NO[C@H]1CCCCO1)c1ccncc1 834966599 KXNWINZQLUKADH-ZDUSSCGKSA-N 234.299 2.739 30 20 BFED CO[C@H](C=NOCC(F)F)Cc1ccccc1 834968145 FJNYMMYANZBHJO-NSHDSACASA-N 243.253 2.512 30 20 BFED C[C@@H]1CC(C)(C)CC1=NNc1ccncn1 835000533 GOKXKPXFVMKRHH-SECBINFHSA-N 218.304 2.701 30 20 BFED CCOC(=O)C(C)(C)ON=C(C)c1ccccc1 835004313 QJBHCLLZTPUVIK-UHFFFAOYSA-N 249.310 2.769 30 20 BFED CC#CCCCCOC(=O)CSC1CC1 835312330 VAAWYHCURZZYKM-UHFFFAOYSA-N 226.341 2.619 30 20 BFED CC[C@@H](CC#N)OC(=O)c1ccsc1C 835341065 RUMOIOCAVCXFBM-VIFPVBQESA-N 223.297 2.906 30 20 BFED C=C(C)CCNC(=O)N(Cc1ccccc1)OC 836495872 BCGIRWTUDHNGQC-UHFFFAOYSA-N 248.326 2.726 30 20 BFED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)C#CC1CC1 837455856 XUDNYPIQKCBNFR-WCQYABFASA-N 233.355 2.731 30 20 BFED CC#CCCOC(=O)c1ccc(C(F)(F)F)[nH]1 838060805 KOFQYSCREFIGBS-UHFFFAOYSA-N 245.200 2.604 30 20 BFED N#C[C@H]1CCC[C@@H](OC(=O)C2(F)CCCC2)C1 839054796 WDJQAVLIPOLLCI-WDEREUQCSA-N 239.290 2.894 30 20 BFED Cc1cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)ccn1 839059973 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30 20 BFED C=CC[C@@H](CO)CN[C@H](C)c1ccc(C)s1 336742521 OHGCZYTUSXOJKR-VXGBXAGGSA-N 239.384 2.892 30 20 BFED CC1(C)CC[C@@H]1N[C@H]1CCC[C@H](C#N)C1 336764011 PSWYCCWVYDVIRM-SRVKXCTJSA-N 206.333 2.847 30 20 BFED CCCc1csc(CN[C@@H](CC)CC#N)n1 336779079 NDDOHPOLTPRFDJ-JTQLQIEISA-N 237.372 2.877 30 20 BFED CC#CCCSCc1ncnn1C(C)(C)C 337892470 ITUMMUAECJPSAL-UHFFFAOYSA-N 237.372 2.680 30 20 BFED C=CCCC(=O)Nc1cccc(C(=O)OCC)c1 338617052 LGGGSVJDFVEJAU-UHFFFAOYSA-N 247.294 2.768 30 20 BFED N#Cc1ccc(N[C@@H]2CCC[C@H]2F)cc1 338824159 MINSESOSWWMQMM-VXGBXAGGSA-N 204.248 2.861 30 20 BFED C=CCOCCN1C[C@H](C)Cc2ccccc21 338961737 DWYQVZNRJXXENJ-CYBMUJFWSA-N 231.339 2.888 30 20 BFED C=C(C)CCS(=O)(=O)c1ccc(CC)cc1 340793304 VOWSDQPMUMBADN-UHFFFAOYSA-N 238.352 2.989 30 20 BFED C=C[C@](C)(CC)C(=O)N1CC[C@@H](C2CC2)C1 344048285 NENBDCKLJZHHLT-TZMCWYRMSA-N 221.344 2.847 30 20 BFED C=C[C@@H](C)NC(=O)c1ccnc(O[C@@H](C)CC)c1 346983763 GNIPNEVERILWAN-MNOVXSKESA-N 248.326 2.563 30 20 BFED C=CCC[C@@H](O)CN1CCC(C)(CC)CC1 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590743723 ZPKXMOMSQFDONI-WCQYABFASA-N 240.322 2.523 30 20 BFED C[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)C1CCC1 590909905 RHPYTMSFTHPCPO-RISCZKNCSA-N 234.343 2.575 30 20 BFED N#C[C@@H]1CC[C@H](N[C@H]2CCc3ccc(O)cc32)C1 595089860 PUVHTYKYRPQBDH-GMXABZIVSA-N 242.322 2.661 30 20 BFED CC[C@H]1CCC[C@@H]1CNc1c(C#N)cnn1C 596248710 BUBIYBKQTCLDEU-WDEREUQCSA-N 232.331 2.530 30 20 BFED C=CCCNC(=O)N(C)[C@H](C)CCSCC 596718078 IUVINHHHNMXIMJ-LLVKDONJSA-N 244.404 2.736 30 20 BFED C[C@H](C(=O)N1CCC[C@H](CC#N)C1)C1CCC1 597901288 IOECXVLBNCXTJM-NWDGAFQWSA-N 234.343 2.575 30 20 BFED C[C@H]1CC[C@H](C(=O)N2CCC[C@@H](CC#N)C2)CC1 597902369 SFZPPWHRQAQENL-IHRRRGAJSA-N 248.370 2.965 30 20 BFED N#Cc1ccc(F)cc1CN(C1CC1)C1CC1 599600332 QLMGTRLAAAKPTO-UHFFFAOYSA-N 230.286 2.824 30 20 BFED CCC(C#N)(CC)C(=O)N1CCC[C@H](C2CC2)C1 599944970 XWEWDAZBLGNVKL-ZDUSSCGKSA-N 248.370 2.965 30 20 BFED N#C[C@H](SCC(=O)Nc1ccccc1)C1CC1 601083032 YJBVNOKCXVLSOD-LBPRGKRZSA-N 246.335 2.660 30 20 BFED C[C@@H](CCC#N)CN1CCSC[C@H]1C1CC1 602684854 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BFED C=CCCN(C)Cc1ccc2nc[nH]c2c1 682436331 HQFJSOVIZNZMNZ-UHFFFAOYSA-N 215.300 2.571 30 20 BFED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)CCC 683817931 KKDILFZIZRQBRV-RYUDHWBXSA-N 224.348 2.925 30 20 BFED CC[C@](C)(CN[C@@H](C)CC(C)(C)C#N)OC 695869091 CXOJUIGMIZHVEG-WCQYABFASA-N 226.364 2.719 30 20 BFED Cc1cc(NC(=O)c2ccc(C#N)o2)cs1 710841280 HSFNLEXMJVBISN-UHFFFAOYSA-N 232.264 2.774 30 20 BFED C=CCOCC(=O)O[C@@H]1CC[C@H](C)C[C@@H]1C 736027431 DLQYAKGGEDMKKW-SDDRHHMPSA-N 226.316 2.557 30 20 BFED CC(=NNc1ncccc1Cl)[C@@H]1CCOC1 741761956 RQVSZLVWIXDBLQ-SECBINFHSA-N 239.706 2.559 30 20 BFED C=C(C)CNC(=S)N(C)[C@@H](C)c1ccncc1 743595464 HHHMAWOOEOQLOQ-NSHDSACASA-N 249.383 2.525 30 20 BFED C=CCCC(=O)OCCc1ccc2c(c1)CCO2 744920130 IERRCIWNJMGLKW-UHFFFAOYSA-N 246.306 2.673 30 20 BFED C#CCN(Cc1ccccc1C)C(C)C 746134900 IUOVAEPHCAQTAM-UHFFFAOYSA-N 201.313 2.839 30 20 BFED Cc1ccc(O)c(C=NNCc2ccccc2)c1 755564366 MLRSHCMANFUUTM-UHFFFAOYSA-N 240.306 2.824 30 20 BFED CCON=Cc1cn(-c2ccccc2)nc1C 755626626 ANWWIDAUPWOINB-UHFFFAOYSA-N 229.283 2.551 30 20 BFED CON=C(C)c1nc2ccc(Cl)cc2n1C 760242724 OPQNGAAMJLWGCT-UHFFFAOYSA-N 237.690 2.597 30 20 BFED CC#CCCOC(=O)C1(CCOCC)CCC1 760287895 UEDDXCIRCBAFNR-UHFFFAOYSA-N 238.327 2.540 30 20 BFED CCN(CC#CCOC)c1ccc(Cl)cc1 762926590 UMCMMOVFVGZAHG-UHFFFAOYSA-N 237.730 2.816 30 20 BFED C=C(Cl)COC(=O)c1cccc(C(C)=O)c1 767440371 AKHNMHMRNNSJJZ-UHFFFAOYSA-N 238.670 2.799 30 20 BFED CC(C)c1cc(C(=O)OCC2(C#N)CCC2)on1 768079013 OOSZTAAVGWKVNN-UHFFFAOYSA-N 248.282 2.649 30 20 BFED CCCNC(=S)NN=C[C@H]1CCC[C@H](C)C1 768355497 RBGQTSGFFVHJRA-QWRGUYRKSA-N 241.404 2.673 30 20 BFED C/C=C(/C)C(=O)Nc1cccc(C#N)c1C 770334017 BHEPDSHYJRLYPR-WTKPLQERSA-N 214.268 2.771 30 20 BFED CCOCCON=C1C[C@@H](C)C[C@@H](C)C1 774437741 WMYMMOOSWIOULX-PHIMTYICSA-N 213.321 2.852 30 20 BFED COc1ccc(C=NOC2CCCC2)cc1C#N 774609511 WUGRSNOQUWTPES-UHFFFAOYSA-N 244.294 2.860 30 20 BFED C#C[C@H](N[C@@H](C)c1ccc(C)s1)[C@H]1CCCO1 775573722 JHRUSIUWFKROBL-RWMBFGLXSA-N 249.379 2.888 30 20 BFED CCC(C=NN[C@H]1CCOC(C)(C)C1)CC 780250331 LUGAUEIZOPYKAI-LBPRGKRZSA-N 226.364 2.956 30 20 BFED C=CCN(C(=O)N[C@H]1CC[C@H](C)C1)C(C)C 780782989 QOKPZJSZZASPSW-RYUDHWBXSA-N 224.348 2.781 30 20 BFED C[C@@H]1CCC(=NNC2CCOCC2)[C@H](C)C1 783856066 WGXTVANIFQQIGZ-GHMZBOCLSA-N 224.348 2.567 30 20 BFED CCCCCCCOC(=O)[C@H]1CO[C@@H](C)C1 784269223 HQDFWJKBPQRLGL-NWDGAFQWSA-N 228.332 2.925 30 20 BFED C=C[C@@](C)(CC)C(=O)Nc1n[nH]c(C)c1C 785594116 OWNQFEJUSBZZRK-LBPRGKRZSA-N 221.304 2.567 30 20 BFED Oc1ccc2c(c1)CCC2=NNC1CCCCC1 786043735 VFKXPJQXUFXWKM-UHFFFAOYSA-N 244.338 2.965 30 20 BFED CC(=NOC[C@H]1CCOC1)C1CCCC1 788039503 RIOZTYWMIDAXPH-NSHDSACASA-N 211.305 2.606 30 20 BFED Cc1ccccc1C=NNCCc1ccccn1 789112637 IAJIXCAOINTICT-UHFFFAOYSA-N 239.322 2.556 30 20 BFED Cn1cccc1C=NNCC1(C)CCCC1 793081163 HOLBWHHGHQDDES-UHFFFAOYSA-N 219.332 2.529 30 20 BFED C[C@@H](NN=Cc1ccc(O)c(F)c1)C(C)(C)C 793115923 ULIZTAVCFVIUOR-SECBINFHSA-N 238.306 2.889 30 20 BFED CC(=NNc1ncccc1F)c1cnccc1C 794981162 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Cc1cc(C)nc(NN=C2CC[C@H](C)C2)n1 814681610 UCNPRYMPNXGGRD-QMMMGPOBSA-N 218.304 2.681 30 20 BFED CCOC1CC(=NNCCCc2ccccc2)C1 814837695 HILDSLLTYCFZGT-UHFFFAOYSA-N 246.354 2.764 30 20 BFED CCCC(=NOCCSC)c1cccnc1 814922147 WTVYURCAICGPBW-UHFFFAOYSA-N 238.356 2.965 30 20 BFED N#CCCNc1ccc(OC[C@H]2CCCO2)cc1 819409848 DLDFPHOQVLJMCD-CQSZACIVSA-N 246.310 2.570 30 20 BFED C#C[C@H](C)NCc1cc(F)ccc1OC(F)F 825878935 XBPNBAHEHWSPHS-QMMMGPOBSA-N 243.228 2.538 30 20 BFED C#Cc1cccc(CN[C@@H](C)[C@@]2(C)CCCO2)c1 834902133 FNGZFFQTRQJICT-XJKSGUPXSA-N 243.350 2.715 30 20 BFED CC(Cc1ccccn1)=NOCCC(F)(F)F 834972950 RLVJJFLQGICBJZ-UHFFFAOYSA-N 246.232 2.969 30 20 BFED CC(C)CC[C@@H]1CCC(=NN[C@H]2CCOC2)C1 834977482 MGELIUJPHSDIMW-OCCSQVGLSA-N 238.375 2.957 30 20 BFED CC(=NOC(C)C)c1ccc2n[nH]cc2c1 835002971 UMYAHQVSNFJSOT-UHFFFAOYSA-N 217.272 2.712 30 20 BFED Cc1[nH]c(C#N)cc1C(=O)OCC1(C)CCC1 835354212 HUDISWGJIVOIFH-UHFFFAOYSA-N 232.283 2.542 30 20 BFED C=CCOCCOC(=O)[C@H]1CCCCC1(F)F 835455151 NYFVVQOQHZKYCO-SNVBAGLBSA-N 248.269 2.558 30 20 BFED C=CC(C)(C)COC(=O)c1cccnc1OCC 835722943 KPGAOHZWNAGYAW-UHFFFAOYSA-N 249.310 2.849 30 20 BFED O=C(C#CC1CC1)NC1CCCCCCC1 837308535 LLHVUOXRYKGFEF-UHFFFAOYSA-N 219.328 2.629 30 20 BFED C[C@H](c1ccccc1)N(C)C(=O)C#CC1CC1 837321652 YJWBIVOEYKUODG-GFCCVEGCSA-N 227.307 2.619 30 20 BFED C=CCONC(=O)N[C@@H]1CCC[C@H]1CCCC 838707443 LBDPLDRAVCXCOQ-VXGBXAGGSA-N 240.347 2.762 30 20 BFED C=C[C@@H](CC)OC(=O)C1(COC)CCCC1 838850050 JDDUTBWJTOHGIH-NSHDSACASA-N 226.316 2.701 30 20 BFED C=CCCCC(=O)OCc1cccnc1N(C)C 838954992 YLTZDBFTVDRQBY-UHFFFAOYSA-N 248.326 2.547 30 20 BFED CC(C)Cc1ccccc1C(=O)N(C)[C@H](C)C#N 839366085 HHZXFKIDKFBZSA-GFCCVEGCSA-N 244.338 2.869 30 20 BFED C=C(C)CNC(=S)N[C@@H](CC)C1CCCC1 840819408 MNBYLKXTZVGGTQ-LBPRGKRZSA-N 240.416 2.995 30 20 BFED CCC(=NN=c1cc[nH]cc1)[C@@H]1CC1(C)C 841634812 ZHZSXKXKSZZYGP-NSHDSACASA-N 217.316 2.728 30 20 BFED CC(C)[C@@H](C=NN(C)C[C@@H](C)O)c1ccccc1 841652451 XDBXWSQQWPLOCT-UKRRQHHQSA-N 248.370 2.725 30 20 BFED C#C[C@H](OC(=O)[C@@H]1C[C@@H]1C)c1ccc(F)cc1 842410925 GEONHQFRZXWSEX-BIMULSAOSA-N 232.254 2.699 30 20 BFED CCC[C@@H](C)C(CC)=NN(C)[C@@H](C)CO 842539631 BGHJSEBAOMOXNS-MNOVXSKESA-N 214.353 2.501 30 20 BFED C=CCC[C@H](C)OC(=O)C[C@@H](C)n1ccnc1 845285219 QCVXUQGYKQVAKT-NEPJUHHUSA-N 236.315 2.732 30 20 BFED C[C@H]1CC[C@H](C(=O)OCCCC#N)CC1 845420895 JZPLCOHDSJBXLQ-XYPYZODXSA-N 209.289 2.660 30 20 BFED CSCC1(CC(=O)O[C@H](C#N)C(C)C)CC1 845460326 ULXVGCDJHVCWBM-SNVBAGLBSA-N 241.356 2.611 30 20 BFED C=C[C@H](C)ONC(=O)N[C@@H]1CCC[C@H](C)CC1 845620877 BVTIRZNMGYPPKD-SDDRHHMPSA-N 240.347 2.761 30 20 BFED C=C[C@H](C)ONC(=O)NCC1(CCC)CCC1 845629254 IJMCMEKYFDIIMC-NSHDSACASA-N 240.347 2.762 30 20 BFED C=C(C)CONC(=O)CCCC(C)(C)C 846538315 HFSVVLHNFODJRV-UHFFFAOYSA-N 213.321 2.827 30 20 BFED CC[C@@H](C#N)N(C)C(=O)/C=C\c1ccsc1 847170678 DBSFXURBSWAIHZ-WYGGZMRJSA-N 234.324 2.522 30 20 BFED COc1cccc(/C=N\[C@@H]2C=CCC2)c1O 849170541 QPAPGRLJTNBADA-RLIURORJSA-N 217.268 2.538 30 20 BFED 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30 20 BFED C=CCS(=O)(=O)[C@H]1CCCc2ccccc21 905243159 WWOAPAIMXCRCGN-ZDUSSCGKSA-N 236.336 2.665 30 20 BFED CCC/N=C(/NCC1CCC1)NC(C)(C)C 912509776 QKSNXBQWJFSZKO-UHFFFAOYSA-N 225.380 2.530 30 20 BFED N#CCCCCOC(=O)/C=C/c1ccc(O)cc1 914621588 HWBYGMNBBOTUOE-RMKNXTFCSA-N 245.278 2.642 30 20 BFED CCCNC(=S)NN=C(C)c1ccccc1C 916357442 QYTGUTHRXOEPOB-UHFFFAOYSA-N 249.383 2.593 30 20 BFED Cc1cccc(C=NNc2oc(C)nc2C#N)c1 917555383 PEPADXJRSAZXTR-UHFFFAOYSA-N 240.266 2.609 30 20 BFED CC(C)CCN(CCC(C)C)C[C@H](O)CC#N 929143628 SWPAXVWDFYJSNT-CQSZACIVSA-N 240.391 2.655 30 20 BFED Cc1cccc([C@H](O)CN(C)CC(C)(C)C#N)c1 930567467 IXQBRCJWXMKYOO-CQSZACIVSA-N 246.354 2.510 30 20 BFED C=C(C)CCC(=O)NC[C@H]1C[C@H]2CC[C@H]1C2 1120611480 PNGJDTGPBRXVDZ-RWMBFGLXSA-N 221.344 2.895 30 20 BFED C=C(C)COC(=O)CCOc1ccccc1C 1317780355 PDVZIAJTTUCFCF-UHFFFAOYSA-N 234.295 2.883 30 20 BFED CC(=NNc1ccn(C)n1)c1cccc(C)c1 1324492647 FBTWNHRHARNTLZ-UHFFFAOYSA-N 228.299 2.565 30 20 BFED C[C@@H](CCC1CC1)NC(=O)c1csc(C#N)c1 1324719315 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2.867 30 20 BFED C=C(C)CN1CCC[C@@H]1c1cc(C)on1 45003757 URZIULJENYYTNR-GFCCVEGCSA-N 206.289 2.696 30 20 BFED COCC[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 45021639 QSVXOXQOECRPPA-NEPJUHHUSA-N 232.327 2.634 30 20 BFED CC[C@H](C(=O)N(C)[C@H](C)C#N)c1ccccc1 45142636 WGEFLGBVLRVIBQ-YPMHNXCESA-N 230.311 2.551 30 20 BFED CC[C@H](C)COc1ccc(C#N)cc1OC 50424544 IOFRIBFQHMARCQ-JTQLQIEISA-N 219.284 2.992 30 20 BFED C#CCNc1ccccc1OC(F)(F)F 52684694 HOSWTUQAJUQVQA-UHFFFAOYSA-N 215.174 2.630 30 20 BFED COc1cccc(Sc2nccnc2C#N)c1 54380498 MDKCCCXQIZTWNN-UHFFFAOYSA-N 243.291 2.508 30 20 BFED CCCCCCC[C@@H](C)NCCOC 59089664 JWDPWVJXPRMXJW-GFCCVEGCSA-N 201.354 2.971 30 20 BFED C=CCCO[C@@H](C)C(=O)Nc1ccc(C)cc1 69311565 JSGYINJHRBJLCA-LBPRGKRZSA-N 233.311 2.915 30 20 BFED Cc1ccc(F)c(C(=O)NCCCCC#N)c1 70940411 CSYZJDLIDLVIPI-UHFFFAOYSA-N 234.274 2.558 30 20 BFED N#CCCN1CC[C@@H](Cc2ccc(F)cc2)C1 76806034 MIGCGIJPFSORCD-ZDUSSCGKSA-N 232.302 2.604 30 20 BFED C=CCCNc1cc(OC)c(OC)cc1F 77245989 BIBRRNBDZRUQRI-UHFFFAOYSA-N 225.263 2.831 30 20 BFED CC(C)[C@H](C#N)NC(=O)C(C)(C)c1ccccc1 79843661 OXGYIBHCTCTDNY-ZDUSSCGKSA-N 244.338 2.629 30 20 BFED C[C@@H]1CCC[C@@](C#N)(NC(=O)C=C2CCC2)C1 87368334 DSZYYWUEDHGPJZ-BXUZGUMPSA-N 232.327 2.685 30 20 BFED Cn1ccc(CN(CCC#N)CC(C)(C)C)c1 93101163 LZZLITLQAHNVFY-UHFFFAOYSA-N 233.359 2.787 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)C1(CC)CCCC1 94901736 OYIOXVZXCFNVJT-LBPRGKRZSA-N 236.359 2.965 30 20 BFED N#CC[C@@H](N)c1ccc(Br)c(F)c1 95664068 YGAQDTQIQTWCFV-SECBINFHSA-N 243.079 2.502 30 20 BFED Oc1ccccc1/C=N\Cc1ccco1 105482380 INBUCGHEKJIOHS-JYRVWZFOSA-N 201.225 2.604 30 20 BFED C=CC1CCN(c2cc(Cl)nc(C)n2)CC1 110595290 NNPIHWHTQIQJGN-UHFFFAOYSA-N 237.734 2.841 30 20 BFED C=CC1CCN(Cc2nc(CCCC)no2)CC1 111259023 ZZYBLCINMWQDDL-UHFFFAOYSA-N 249.358 2.810 30 20 BFED C=CC[C@H](C)NC(=O)COc1c(C)cccc1C 116863833 IAIFAMVPNUWGTL-ZDUSSCGKSA-N 247.338 2.763 30 20 BFED C=CCC[C@@H](NCCCOCC)C1CC1 119779127 NWKBDYWDARQQPI-CYBMUJFWSA-N 211.349 2.747 30 20 BFED CCC[C@@H](C(=O)N(C)[C@@H](C)CC#N)C(C)C 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245.278 2.546 30 20 BFED CCCN(CCC)C(=O)c1cccc(F)c1C#N 186445914 QSGDDNQQTRQXFR-UHFFFAOYSA-N 248.301 2.960 30 20 BFED C=CCCCN1CCC([C@H]2CCCO2)CC1 189139133 KROMQVGGIUYWGI-CQSZACIVSA-N 223.360 2.844 30 20 BFED C=CCC1(C(=O)OCCCC#N)CCC1 192115015 IFTHTZSHWKWQKD-UHFFFAOYSA-N 207.273 2.580 30 20 BFED CSC1(CNCc2cccc(C#N)c2)CCC1 193644108 WPHUCCGETDTIQW-UHFFFAOYSA-N 246.379 2.934 30 20 BFED CC1(C)C[C@H]1CNc1nc2c(cc1C#N)CCC2 226234638 QQNNRSMXSLBCNJ-LBPRGKRZSA-N 241.338 2.900 30 20 BFED CC[C@H](CC#N)NCc1ccc2[nH]ccc2c1 229649485 AJJWUEKTKLVRQA-CYBMUJFWSA-N 227.311 2.950 30 20 BFED C#C[C@H](CC)N[C@@H](C)CCc1ccc(O)cc1 229889875 OURGIFDZORMWOU-GXTWGEPZSA-N 231.339 2.715 30 20 BFED CS[C@@H]1CC[C@@H](Nc2cc(C#N)cc(C)n2)C1 235100292 WELJVWWMPSNRGD-VXGBXAGGSA-N 247.367 2.958 30 20 BFED C#CCCCC(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 248664178 KQGCWHPIVDGMRU-ITGUQSILSA-N 221.344 2.731 30 20 BFED CC[C@@H](CC#N)NC[C@H]1C[C@H]2CC[C@H]1C2 251335037 JGUOSBDOXKLJOQ-RVMXOQNASA-N 206.333 2.704 30 20 BFED 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Cc1c(Cl)cnc(N2CCC[C@@H]2C)c1C#N 273342854 OAVOZRVJVLQZGU-QMMMGPOBSA-N 235.718 2.904 30 20 BFED COc1ccc(N[C@H]2CCC[C@H](C#N)C2)cn1 274222048 QAQTYRUGUHOFPA-QWRGUYRKSA-N 231.299 2.584 30 20 BFED CC(C)[C@H](C#N)NC(=O)C1=CCCCCC1 274708120 BDJNLKHVQWIMFA-LBPRGKRZSA-N 220.316 2.541 30 20 BFED C=CCN(C)C(=O)c1cccc(Cl)c1C 278804586 NXJBWKASQYJHTL-UHFFFAOYSA-N 223.703 2.906 30 20 BFED CC(C)n1nccc1CNc1cccc(C#N)c1 279519321 AZZLCJWUXBICDV-UHFFFAOYSA-N 240.310 2.948 30 20 BFED CC#CC(=O)N(CC)[C@@H](CC)Cc1ccccc1 283313978 VFMPTGUFWRDRFT-HNNXBMFYSA-N 243.350 2.880 30 20 BFED C#CCCN[C@@H](C)c1ccc(OC)c(OC)c1C 287113087 YNSOPHBQOSYZSS-LBPRGKRZSA-N 247.338 2.686 30 20 BFED CC[C@@H](N[C@@H](C)CN(C)C)c1ccc(C#N)cc1 287219753 XLHXVPBKTLIQOT-SWLSCSKDSA-N 245.370 2.549 30 20 BFED Cc1nsc(N2CC[C@@H](C)[C@@H]2C)c1C#N 288425915 OADFWMQNMQRWQZ-APPZFPTMSA-N 221.329 2.558 30 20 BFED C[C@H](OC(=O)CCCC#N)c1ccccc1 291467346 BVWZDDHCUSKNIE-NSHDSACASA-N 217.268 2.985 30 20 BFED C=C(C)CNC(=O)[C@@H](OC(C)C)c1ccccc1 293383889 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BFED CC(C)(C=O)Cc1csc(Cl)n1 306164368 OYFASYUBHIOAHU-UHFFFAOYSA-N 203.694 2.564 30 20 BFED CC[C@@H](C)[C@H](CNc1cc(C)nc(C#N)c1)OC 308280309 XALXMHFACMNHRY-YGRLFVJLSA-N 247.342 2.735 30 20 BFED C=CC[C@@H](CC)Nc1ncncc1Cl 308514634 MGQJOIMPDZOOHY-MRVPVSSYSA-N 211.696 2.897 30 20 BFED C=CCCCCNCc1cnc(OC)s1 309006377 NGRHKFQSVRTKGD-UHFFFAOYSA-N 226.345 2.598 30 20 BFED C=C[C@H](CO)NC[C@@H](C)CC1CCCCC1 309583805 RDGFTEDZJXBXLE-GXTWGEPZSA-N 225.376 2.729 30 20 BFED C=C[C@H](C)Nc1nc(C)cc(C(F)(F)F)n1 309794706 PWALIBBDZTZILZ-LURJTMIESA-N 231.221 2.790 30 20 BFED CC[C@H](NCc1cc(C#N)ccc1OC)C1CC1 324539709 ZJIFDIQXNXKOKH-AWEZNQCLSA-N 244.338 2.845 30 20 BFED CC1(C(O)=Nc2cnc3c(c2)CCCC3)COC1 329443938 KNJQFKBUEVBJAM-UHFFFAOYSA-N 246.310 2.585 30 20 BFED CCc1onc(C)c1N=C(O)c1nc(C)oc1C 330519077 HLCUCSJNJOYNDG-UHFFFAOYSA-N 249.270 2.787 30 20 BFED C[C@H]1C[C@@H](Nc2c(C#N)cccc2C#N)CS1 334808814 YRTXPGCQXIWBOY-JOYOIKCWSA-N 243.335 2.736 30 20 BFED CC[C@@](C)(C#N)C(=O)N1CC[C@@H](C)C2(CCC2)C1 335668827 FBMRCQVYSFRUJF-OCCSQVGLSA-N 248.370 2.965 30 20 BFED CC[C@]1(C)CCN(C(=O)c2cc(C#N)cs2)C1 336049809 CKOUKJXDQJJEML-CYBMUJFWSA-N 248.351 2.882 30 20 BFED C[C@@H](CC#N)NC(=O)c1cccc2c1CCCC2 336238898 HWGQHSFHQSPRLE-NSHDSACASA-N 242.322 2.597 30 20 BFED C[C@H](C#N)C(=O)NC1(c2ccc(Cl)cc2)CC1 336373871 IWUNTVJVZPGKQF-SECBINFHSA-N 248.713 2.605 30 20 BFED CC[C@@]1(C)CCCN(C(=O)[C@@](C)(C#N)CC)C1 336437245 MYWFNKMVEWGWJL-UONOGXRCSA-N 236.359 2.965 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@@H]1CCO[C@H]1C1CC1 336737284 JILIPHDXPHNLEX-VTPLQMEGSA-N 223.360 2.744 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)[C@H]1CC2CCC1CC2 336795256 IYUZJNKSGPFCHA-ABXWRUBCSA-N 248.370 2.821 30 20 BFED C=CCN(CC=C)C[C@@H]1CCCCN1C(C)C 340283254 HBISDHMPLWZCFQ-HNNXBMFYSA-N 236.403 2.923 30 20 BFED C=CCCN(C)C(=O)[C@H]1CC12CCCCC2 341986289 SZEXAFRQQZUQCH-GFCCVEGCSA-N 221.344 2.991 30 20 BFED CC(C)C[C@H]1CCN(CC2(C#N)CC2)C1 343315450 QHMIWBOOMDKQFV-GFCCVEGCSA-N 206.333 2.658 30 20 BFED C[C@@H]1CN(Cc2ccc(CC#N)cc2)C[C@@H]1C 343623121 XKMCDQOTLHHWQO-BETUJISGSA-N 228.339 2.840 30 20 BFED C=CCCCCCN1CC[C@H](CO)C[C@@H]1C 344129400 LXHKFIFLNYEPBF-KBPBESRZSA-N 225.376 2.826 30 20 BFED C=CCN(CC=C)C(=O)[C@@H]1CC[C@@H](C)C1 345076736 HNILXRDVVIDFIC-VXGBXAGGSA-N 207.317 2.623 30 20 BFED C=CCOCCCN(C)[C@H](C)C1CCC1 348047942 LYAWYLHGJQINRT-GFCCVEGCSA-N 211.349 2.700 30 20 BFED C=CCC(C)(C)CNC(=O)[C@@](C)(OC)C1CC1 352469946 GRCZRORDNBIIST-AWEZNQCLSA-N 239.359 2.520 30 20 BFED CC[C@H](C)CCC(=O)NCCCCC#N 352576487 IXMUAZOWSVPJME-NSHDSACASA-N 210.321 2.623 30 20 BFED C=C(C)CN1CCC[C@H](N2[C@@H](C)CC[C@H]2C)C1 354465485 XYQXLECTSIVGHW-ZNMIVQPWSA-N 236.403 2.900 30 20 BFED C[C@@H](C#N)C(=O)N[C@H](C)C(C)(C)c1ccccc1 357790092 KYISBSGBCZCZPA-NWDGAFQWSA-N 244.338 2.629 30 20 BFED C=C(CC)CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 358617048 RKJRHYGIEAMBJQ-HOCLYGCPSA-N 248.414 2.901 30 20 BFED CC(C)C(C)(C)C(=O)N1CCC(F)(C#N)CC1 359356718 CWPRZRKMPUFMGR-UHFFFAOYSA-N 240.322 2.523 30 20 BFED C=CCCCC(=O)Nc1c(C)nn(CC)c1C 360151917 WUXZVAHOVLYRAC-UHFFFAOYSA-N 235.331 2.815 30 20 BFED CCN(CCC1CC1)Cc1cc(C#N)n(C)c1 361594100 LPCGXIIAWGQDAC-UHFFFAOYSA-N 231.343 2.519 30 20 BFED C=C(C)CN(CCOC)[C@@H]1CC[C@H](C)C1 362160823 HQFSFUKNPLCOKR-QWHCGFSZSA-N 211.349 2.700 30 20 BFED CC[C@H]1CCC[C@H]1NC(=O)NCCCCC#N 362509606 LCIVAHSDYGASCR-NWDGAFQWSA-N 237.347 2.558 30 20 BFED C#CCCCCC(=O)N1C[C@H]2CCC[C@@H](C2)C1 376105809 BXSYHWUJXSGXDG-KBPBESRZSA-N 233.355 2.829 30 20 BFED CON=Cc1cc(Cl)cc(Cl)c1O 379349476 OZJRDUHWZJFVFC-UHFFFAOYSA-N 220.055 2.679 30 20 BFED CCCCN(CCCC)c1ccnc(C#N)n1 380126138 CQSFVKMCNIXXFS-UHFFFAOYSA-N 232.331 2.755 30 20 BFED CCC(=NOCC1CC1)c1cccc(N)c1 382171173 WKPYOUWYRLCPBH-UHFFFAOYSA-N 218.300 2.810 30 20 BFED CCC(C#N)(CC)C(=O)N1C[C@H]2CCC[C@@H](C2)C1 394131319 AYRWMBWDTNLLRD-STQMWFEESA-N 248.370 2.965 30 20 BFED CC1(C)CCC[C@H]1CN=c1cc[nH]cc1C#N 399450236 RDNLWADXZVFRJL-LBPRGKRZSA-N 229.327 2.613 30 20 BFED Cc1ccnc(N2C[C@H](C)[C@@H](C)[C@H]2C)c1C#N 399500277 HGGQMMUEOKWSLB-QJPTWQEYSA-N 229.327 2.742 30 20 BFED N#Cc1c(F)cccc1NCCC[C@H]1CCOC1 400653428 YSZXFXQUGWNBES-NSHDSACASA-N 248.301 2.926 30 20 BFED C=CCC[C@@H](CC)NC[C@H](C)CCOC 414209823 TYKWPWDVQFRICB-CHWSQXEVSA-N 213.365 2.993 30 20 BFED C=CCCCN1C[C@@H](CC)O[C@H](CC)C1 420945597 AYOWWQYGAWVDIW-CHWSQXEVSA-N 211.349 2.842 30 20 BFED C=CCCCCNC(=O)[C@@]12CCC[C@@H]1C2 421514609 LGYKYQXAIQPHNX-DGCLKSJQSA-N 207.317 2.649 30 20 BFED C=CCC[C@@H](CCC)N[C@@H](C)CCCN 423451980 JERCVRPSCNJVDD-QWHCGFSZSA-N 212.381 2.838 30 20 BFED C=C(C)COCCNC(=O)[C@@H]1CCCC[C@@H]1C 424737443 XPWDXDQHQKDUGR-QWHCGFSZSA-N 239.359 2.522 30 20 BFED C=CCCCCCN[C@@H](COC)[C@H]1CCCO1 434782372 FVPOESQZXHXUKJ-UONOGXRCSA-N 241.375 2.516 30 20 BFED C=C[C@H](C)NCc1ncc(-c2ccccc2)[nH]1 447811442 FNRCVOZXWYJNSD-NSHDSACASA-N 227.311 2.741 30 20 BFED C=C(C)CCNCc1sccc1OC 449478897 SVAILVHYRYMZCB-UHFFFAOYSA-N 211.330 2.813 30 20 BFED C=CCOCCCN1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 451356187 AHJFZZJJXXFBHO-QXSJWSMHSA-N 247.382 2.723 30 20 BFED C=CC(C)(C)CNC(=O)[C@H]1Cc2ccccc21 452772584 GCFGQRJRTXHPIO-ZDUSSCGKSA-N 229.323 2.655 30 20 BFED C=CCN1CCC(N[C@H](C2CCC2)C2CC2)CC1 453105215 WDFHQPGKUITJME-MRXNPFEDSA-N 248.414 2.805 30 20 BFED Cc1cc(C#N)cc(NCCOC2CCC2)c1 453141713 HNVSSDNIGUDVQJ-UHFFFAOYSA-N 230.311 2.848 30 20 BFED CCN(C(=O)Nc1cccc(CC#N)c1)C1CC1 455927267 ZIIZLWUJGYAXSY-UHFFFAOYSA-N 243.310 2.769 30 20 BFED CCC[C@H](NC(=O)CSCC#N)C(C)(C)C 456103218 DZCBTLFNPNECSP-JTQLQIEISA-N 242.388 2.574 30 20 BFED C=CCCC(=O)N1C[C@H](C2CC2)[C@@H]1C1CC1 456283088 KJZTWOUZZUVUCX-OCCSQVGLSA-N 219.328 2.600 30 20 BFED C[C@H](CC(C)(C)C)NC(=O)c1cnccc1C#N 457190782 JLRBLNYDJMGEDU-SNVBAGLBSA-N 245.326 2.508 30 20 BFED CC#CCCCC(=O)N[C@H]1C[C@@]1(C)C(C)C 458149817 WRYMNFDBMMFVQF-JSGCOSHPSA-N 221.344 2.731 30 20 BFED C=C(C)CNC(=O)c1cc(F)cc(Cl)c1 490065145 RJECEXRZELFIFN-UHFFFAOYSA-N 227.666 2.785 30 20 BFED C#C[C@H](C)N(C)C(=O)CCc1ccc(Cl)cc1 491664457 JCCSDYYMYQMPNX-NSHDSACASA-N 249.741 2.753 30 20 BFED C#C[C@H](C)N(C)C(=O)c1ccc(F)cc1Cl 491729819 ODXUFHVQKLHABU-QMMMGPOBSA-N 239.677 2.573 30 20 BFED CCC[C@@H](C#N)NC(=O)C[C@@H](C)c1ccccc1 523701653 CKLKYZVHEIYVSW-OCCSQVGLSA-N 244.338 2.989 30 20 BFED C=CCCCCNC(=O)c1cn(C(C)C)nc1C 563357436 RNYWEYJMLIRUNO-UHFFFAOYSA-N 249.358 2.859 30 20 BFED C[C@@H](CO)CS[C@@H](C#N)c1ccccc1 563441456 XFGBWRFQGFMDFX-JQWIXIFHSA-N 221.325 2.613 30 20 BFED COc1ccc2c(c1)CCC[C@@H]2CNCCC#N 573914755 UBANGLUOQSBVOY-CYBMUJFWSA-N 244.338 2.618 30 20 BFED FC(F)(F)c1ccnc(C#Cc2ccccc2)n1 585144953 OQUAMGCECOLYBT-UHFFFAOYSA-N 248.207 2.895 30 20 BFED N#CCCCCN1CCC[C@H]1[C@H]1CCCOC1 592134937 VEXPIRZRURULGU-KBPBESRZSA-N 236.359 2.571 30 20 BFED CC[C@@H](C#N)C(=O)N[C@](C)(C#N)C1CCCCC1 593470266 AGWCRHDTVLRJSK-SMDDNHRTSA-N 247.342 2.515 30 20 BFED CN(CCC1CC1)c1nc(C#N)c(Cl)s1 596170489 RZXGAMNJEQIYAY-UHFFFAOYSA-N 241.747 2.904 30 20 BFED Cc1ccc(C#N)nc1N(C)C[C@@H]1CC1(C)C 596565688 CDGOIBVKULZFLL-NSHDSACASA-N 229.327 2.744 30 20 BFED CC(C)(C#N)CNC(=O)CC1(C#N)CCCCC1 597489784 NYTCATSXBOSFKD-UHFFFAOYSA-N 247.342 2.517 30 20 BFED CC[C@H](C#N)N(C)C(=O)c1c(C)cc(F)cc1C 598850262 XAQWFUZAOLNUQI-GFCCVEGCSA-N 248.301 2.817 30 20 BFED CC[C@H](C)[C@@H](C)NC(=O)c1ccccc1CC#N 601015697 NOIAAEJGAPYADP-NWDGAFQWSA-N 244.338 2.917 30 20 BFED CCC[C@H](CCO)N[C@@H](C)c1cccc(C#N)c1 601289362 LYKOOOFONJMRFW-SWLSCSKDSA-N 246.354 2.760 30 20 BFED CC(C)[C@@H]1C[C@H]1NC(=O)c1ccccc1CC#N 601632530 LDAQWSNKQFMIPM-UONOGXRCSA-N 242.322 2.527 30 20 BFED CC1=NN([C@@H](C)C(C)(C)C)C(=O)[C@@H]1CCC#N 601950425 OGYFQNVZNMNXHA-WDEREUQCSA-N 235.331 2.559 30 20 BFED Cc1ncsc1CN(C)C[C@H](C)CCC#N 602458128 FZGXHOXLJLUVEG-SNVBAGLBSA-N 237.372 2.823 30 20 BFED Cc1ccc(OCCNC[C@H](C)CCC#N)cc1 602504374 UOSAWVBOGQULPZ-CQSZACIVSA-N 246.354 2.903 30 20 BFED CC[C@H]1CCC[C@H]1NCc1cccc(C#N)n1 602567162 IRQBSDIGRAIFDJ-SMDDNHRTSA-N 229.327 2.622 30 20 BFED N#Cc1cccc(CNCC2(C3CC3)CCC2)n1 602572587 RJNIPAMRNJBSHF-UHFFFAOYSA-N 241.338 2.623 30 20 BFED Cc1ccc(S(=O)(=O)OCC2(C)CC2)cc1 605701413 ZBZUMOOTXRLIOX-UHFFFAOYSA-N 240.324 2.500 30 20 BFED Cc1cccc2c1CCN2CC1(C#N)CC1 611430607 MEOFNRNIOZRCLK-UHFFFAOYSA-N 212.296 2.661 30 20 BFED N#CCCCNC(=O)C[C@@H]1CCc2ccccc21 612059370 CYJKYSKFAGYHSM-ZDUSSCGKSA-N 242.322 2.526 30 20 BFED C=CC[C@H](C)NC(=O)Nc1ccc(NC)cc1 625933296 XNLPTPZRBDROOU-JTQLQIEISA-N 233.315 2.814 30 20 BFED C=CCCC(C)(C)CN[C@H]1CCCNCC1 635021430 OLYFHGVQQUTOKE-ZDUSSCGKSA-N 224.392 2.711 30 20 BFED C=C(C)CCNC(=O)c1ccc(NC)c(F)c1 635986907 HPFBTZZFTLFZCL-UHFFFAOYSA-N 236.290 2.563 30 20 BFED C=C(C)CCN[C@H](C)Cc1ccnc(OC)c1 639228108 VAPOKFCRUOUOLU-GFCCVEGCSA-N 234.343 2.577 30 20 BFED C=CCCC(C)(C)CNC(=O)Nc1cncnc1 639990884 KEFOAWKLUFATDO-UHFFFAOYSA-N 248.330 2.591 30 20 BFED C=C[C@@H](C(=O)O)N(CCC)CC1CCCCC1 652400457 YPMKYVWMGMVRKQ-ZDUSSCGKSA-N 239.359 2.918 30 20 BFED C=CC[C@H]1CCCN(C(=O)NCc2ccoc2)C1 660466304 SAOLRWGWIPPNIA-LBPRGKRZSA-N 248.326 2.777 30 20 BFED CC#CCCCC(=O)N1CC[C@@H](C2CCC2)C1 665683345 VFDMCRSBEJBWSQ-CQSZACIVSA-N 233.355 2.829 30 20 BFED C=CCCN1CC(c2nc3ccccc3[nH]2)C1 675976456 OKJBMCUHIZIXLF-UHFFFAOYSA-N 227.311 2.538 30 20 BFED C#CCCCOc1c(C=O)cccc1CC 692071357 VGKRYAIKAVHSOJ-UHFFFAOYSA-N 216.280 2.854 30 20 BFED Cc1cc(C#N)ccc1N1CCC[C@@H]1C(C)(C)O 707412334 CMIGYTXEIQDRRH-CQSZACIVSA-N 244.338 2.606 30 20 BFED C#CCN(CC)C(=O)c1cc2occc2s1 736007468 UIOWMVNGBKPBQJ-UHFFFAOYSA-N 233.292 2.590 30 20 BFED CC(=NNCC(F)F)c1ccc(Cl)s1 740617646 LOGVMGFMADELKP-UHFFFAOYSA-N 238.690 2.980 30 20 BFED CC[C@](C)(C#N)NC(=O)[C@H](C)c1ccc(C)o1 742605001 PCMYJVGHFQPRCJ-ZWNOBZJWSA-N 234.299 2.500 30 20 BFED CCC[C@@H](C)C(CC)=NNS(=O)(=O)C(C)C 748249306 WQWZBMHTSLVHAI-SNVBAGLBSA-N 248.392 2.516 30 20 BFED CC[C@@H](C#N)OC(=O)c1cnc2ccsc2c1 753431374 MHHQFEJGYUVNGW-VIFPVBQESA-N 246.291 2.755 30 20 BFED CC1(C)CC(=NNC2CC2)c2ccccc21 758133108 LHMDJOVWHHNVCN-UHFFFAOYSA-N 214.312 2.824 30 20 BFED C=C(CC)COC(=O)C1Cc2ccccc2C1 763381559 SOYRMHQXHKPICO-UHFFFAOYSA-N 230.307 2.911 30 20 BFED COc1cc(OCc2cscn2)ccc1C#N 766764128 ZHOIWSXTWYJOFH-UHFFFAOYSA-N 246.291 2.602 30 20 BFED C=C(C)COC(=O)c1cccc(C(C)=O)c1 767433275 HNFCRCJLPDPKMV-UHFFFAOYSA-N 218.252 2.622 30 20 BFED O=C1CCCN1N=CCC[C@@H]1C[C@H]2CC[C@H]1C2 768783951 JPFRCQJANSPFOZ-UPJWGTAASA-N 234.343 2.811 30 20 BFED CCc1cnccc1C(C)=NNCC(F)(F)F 769814958 NWKVJIUKDSALMS-UHFFFAOYSA-N 245.248 2.520 30 20 BFED CCCCCCCOC(=O)C1(CCO)CC1 770531656 JTSXNNGQQLXTTL-UHFFFAOYSA-N 228.332 2.663 30 20 BFED N#CCCCOC(=O)c1cc(F)c(F)cc1F 772747662 ZWRCGOZLTQMKFV-UHFFFAOYSA-N 243.184 2.564 30 20 BFED CCOCCON=Cc1ccc(CC)s1 774414394 HFLAATQDCYSORV-UHFFFAOYSA-N 227.329 2.698 30 20 BFED CC(=NN[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(O)cc1 774607916 LXKZASAMXPCODY-WHOFXGATSA-N 244.338 2.894 30 20 BFED C#CCOc1cccc(Cl)c1C=NOCC 777431930 DGUJSVJUAGCQBA-UHFFFAOYSA-N 237.686 2.722 30 20 BFED C=C(Cl)COC(=O)c1ccc(O)c(C)c1 778853646 UCSSXYUSNJFBQX-UHFFFAOYSA-N 226.659 2.610 30 20 BFED C=C(C)COC(=O)C[C@H]1CCO[C@@H](CC)C1 781773642 ZZKIIDVQNJOMGM-RYUDHWBXSA-N 226.316 2.701 30 20 BFED CC(C)c1ccc([C@@H](C)CC(=O)NO)cc1 782169446 LUKLDZXDVRPFGP-JTQLQIEISA-N 221.300 2.809 30 20 BFED CC[C@@H](C)C(=O)OCCCC(C)(C)C#N 782253590 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240.391 2.533 30 20 BFED Cc1ccc(NC(=O)N[C@H](C)CC#N)c(C)c1 153136358 IAPMKUVTTMYGMT-LLVKDONJSA-N 231.299 2.727 30 20 BFED C=C(C)CNC(=O)Nc1ccccc1F 153442716 YHLPHTDLBBMZOY-UHFFFAOYSA-N 208.236 2.523 30 20 BFED CCC(C#N)(CC)C(=O)NCC(C)(C)SC 156756002 XGDIZBWCDJHGOQ-UHFFFAOYSA-N 242.388 2.574 30 20 BFED C=CCCO[C@@H](C)C(=O)N(C)c1ccc(C)cc1 156940470 VAPUIGQZWWZZAD-ZDUSSCGKSA-N 247.338 2.939 30 20 BFED COc1ncccc1NCc1ccc(C#N)s1 158130467 GMYBYMZETPGHJZ-UHFFFAOYSA-N 245.307 2.635 30 20 BFED C=C(C)CNC(=O)c1cc(C(CC)CC)no1 161076642 RVGIITUJCRXIQU-UHFFFAOYSA-N 236.315 2.884 30 20 BFED CC[C@@H](CSC)N(C)c1cc(C#N)cc(C)n1 161116545 NRQDQCCOSFADFJ-LBPRGKRZSA-N 249.383 2.840 30 20 BFED CCCN(c1ncc(C#N)cc1Cl)C1CC1 167446988 CBCWBZQDFPURBO-UHFFFAOYSA-N 235.718 2.985 30 20 BFED C[C@H]1[C@H](C)CCCN1C(=O)NCCCCC#N 176386578 QSWBJXBHMJYZFB-NEPJUHHUSA-N 237.347 2.510 30 20 BFED C#C[C@H](C)NC(=O)N[C@H]1CCC[C@@H]1CCCC 185965697 VANDUDCIOABCEP-AVGNSLFASA-N 236.359 2.666 30 20 BFED C[C@H]1CC[C@H](COc2cccc(C#N)c2)O1 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2.594 30 20 BFED C[C@@H]1CCN(c2snc(Cl)c2C#N)[C@@H]1C 267572051 AISWRVVXHUUZQA-RNFRBKRXSA-N 241.747 2.903 30 20 BFED C#CCCN(C)[C@@H](C)c1sc(C)nc1C 270617028 OHFUQBCREKVWBW-JTQLQIEISA-N 222.357 2.776 30 20 BFED CC[C@@H]1CC[C@H](C)N1C(=O)C#Cc1ccccc1 271463815 QDNYXSIMGASKMN-DZGCQCFKSA-N 241.334 2.828 30 20 BFED C=CCC[C@@H](NCc1cnn(CC)c1)C1CC1 271508322 OEHBKQQNUIOHQI-CQSZACIVSA-N 233.359 2.737 30 20 BFED C[C@H]1C[C@@H](CCNc2ccc(C#N)nc2)CCO1 273160810 NMSUFOFSSABDRJ-RYUDHWBXSA-N 245.326 2.570 30 20 BFED CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CC#N 274709465 SQDSJRMCESIXDB-AWEZNQCLSA-N 244.338 2.688 30 20 BFED C=CCCN(C)C(=O)Cc1c[nH]c2ccccc12 276352273 HOIMFKDUUVREQQ-UHFFFAOYSA-N 242.322 2.745 30 20 BFED C[C@@H](C1CC1)N(C)C(=O)c1ccc(F)c(C#N)c1 279283256 XBBTZNHMAOOQHJ-VIFPVBQESA-N 246.285 2.568 30 20 BFED C#C[C@@H](Nc1ncc(C#N)cc1Cl)C(C)C 281972896 UMGVZTARNUUCSX-LLVKDONJSA-N 233.702 2.676 30 20 BFED C=CCCC(=O)Oc1ccc(C#N)cc1CC 282145118 PCCKVBNVHGKRCL-UHFFFAOYSA-N 229.279 2.992 30 20 BFED C[C@H](CF)Nc1nc(C(F)(F)F)ccc1C#N 288249028 OVBCDAJNXYKJNI-ZCFIWIBFSA-N 247.195 2.742 30 20 BFED C=C[C@@H](CO)N[C@@H](C)c1ccc(C)cc1C 289666623 HAELQQVDJXHPRW-STQMWFEESA-N 219.328 2.501 30 20 BFED CO[C@]1(C)C[C@H](Nc2cccnc2C#N)C1(C)C 290522366 COAHINRKQPMBQF-GXTWGEPZSA-N 245.326 2.569 30 20 BFED Cc1nc(N2CCC[C@H](C)[C@H]2C)ccc1C#N 291977175 PMJTUSOKVFCPHJ-CMPLNLGQSA-N 229.327 2.887 30 20 BFED C=CCC(C)(C)C(=O)NCC(C)(C)SC 292852770 QPEFAPRQODFBBG-UHFFFAOYSA-N 229.389 2.847 30 20 BFED C=CCC[C@@H](NCc1cnccc1OC)C1CC1 294293082 MWRAXYZLHIJQJH-CQSZACIVSA-N 246.354 2.925 30 20 BFED C=CCCc1noc(CSCCC)n1 297447440 WSWBQBWXQKJYTN-UHFFFAOYSA-N 212.318 2.831 30 20 BFED C=CCOc1cccc(NC(=O)[C@H](C)OCC)c1 299116364 CEPWCCIXZVEXKU-NSHDSACASA-N 249.310 2.615 30 20 BFED C#C[C@@H](NC(=O)[C@H]1CCCC1(C)C)C(C)C 301015794 ZPTSEHHRCGKGQV-VXGBXAGGSA-N 221.344 2.587 30 20 BFED C#CCCCCNc1ncnc2ccc(F)cc12 301664091 YYMWYUABUXSHBM-UHFFFAOYSA-N 243.285 2.984 30 20 BFED C[C@@H]1CCC[C@H](Nc2ncncc2C#N)CC1 302543999 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BFED C[C@@H]1CCC[C@H](C(=O)N2CCC[C@H](CC#N)C2)C1 397806349 SCMGATQULBWBFF-MCIONIFRSA-N 248.370 2.965 30 20 BFED CC[C@H]1CCCN(C(=O)NCC2(CC#N)CC2)C1 408387143 WVPYFTATMRMUQX-LBPRGKRZSA-N 249.358 2.512 30 20 BFED CC(C)CC[C@@H]1CCCN1c1cncc(C#N)n1 420616000 RBHOXXAVLBPVLC-ZDUSSCGKSA-N 244.342 2.753 30 20 BFED CN(CCCCC#N)C1CC(OC(C)(C)C)C1 420997689 AJZUKNBSDKTAKI-UHFFFAOYSA-N 238.375 2.958 30 20 BFED C[C@H]1C[C@H](NCC(C)(C)CCC#N)c2nccn21 449569411 GUVQSPMEITXODU-RYUDHWBXSA-N 246.358 2.808 30 20 BFED C[C@@H]1C[C@]1(C#N)C(=O)N[C@H]1C[C@H]1C1CCCCC1 449945683 QXVRKNONANNJPA-GVUJHPQVSA-N 246.354 2.621 30 20 BFED C[C@H](c1ccncc1)N(C)CC1(C#N)CCC1 450630914 VKUZVEIGIOFYFV-GFCCVEGCSA-N 229.327 2.768 30 20 BFED C=C(C)CCN=c1cc(Br)cc[nH]1 450718348 SXRNYJAWAOFWEK-UHFFFAOYSA-N 241.132 2.644 30 20 BFED C=CC(C)(C)C(=O)Nc1cnc(CC(C)C)nc1 451349449 YYDNDEFGAMUGIC-UHFFFAOYSA-N 247.342 2.826 30 20 BFED C=CC(C)(C)CN[C@@H]1CCC[C@@H]1CCOC 453311740 SVFOKJLDPYGZGK-CHWSQXEVSA-N 225.376 2.993 30 20 BFED C=CCC[C@@H](NC1C[C@@H]2CC[C@H](C1)N2C)C1CC1 453378832 ZSJLGAMPCLVALL-WTXIUTQJSA-N 248.414 2.946 30 20 BFED C=C(CC)CNC(=O)c1cnc(CCC)s1 456811428 JHFHLHMZOJECAK-UHFFFAOYSA-N 238.356 2.792 30 20 BFED CC(C)[C@@]1(C)C[C@H]1NC(=O)c1ccc(C#N)s1 458088599 CZERMIKGXWCQIS-DGCLKSJQSA-N 248.351 2.784 30 20 BFED CC#CCN(C)C(=O)N[C@@H]1CCC[C@@H](C)CC1 458693355 QSELVAZFZCPOIT-CHWSQXEVSA-N 236.359 2.620 30 20 BFED CC(C)(CC#N)CNCC(C)(C)CCC#N 459734234 RLUMBXPKXNTNPP-UHFFFAOYSA-N 221.348 2.846 30 20 BFED C=CCN(c1nc(C(C)(C)C)ns1)C1CC1 489914327 CRFDOHIITJHDRU-UHFFFAOYSA-N 237.372 2.990 30 20 BFED C#CC(C)(C)NC(=O)[C@H](C)CC1CCCC1 490672236 WZZQUFFVANDWBX-LLVKDONJSA-N 221.344 2.731 30 20 BFED C#C[C@H](NC(=O)C(C)(C)C(C)C)C(C)(C)C 491728646 HSXQBNNNTNLGBY-NSHDSACASA-N 223.360 2.833 30 20 BFED C#CC(C)(C)NC(=O)[C@@H]1CCC[C@@H]1CCC 491810138 ZVWNXUBMEIOJSF-NWDGAFQWSA-N 221.344 2.731 30 20 BFED N#Cc1ccc(CNCC2CC=CC2)cc1 527750393 KZIYNPUBKHUZAQ-UHFFFAOYSA-N 212.296 2.614 30 20 BFED CN(CCCC1(C#N)CCOCC1)C(C)(C)C 567810881 KOSYIPVWCISLOZ-UHFFFAOYSA-N 238.375 2.817 30 20 BFED N#CCc1ccc(NC(=O)[C@]23CCC[C@H]2C3)cc1 582174985 MQRXQIIYFMAZMZ-WFASDCNBSA-N 240.306 2.881 30 20 BFED Cc1ncc(C)c(N[C@H]2CC[C@@H](CC#N)C2)n1 583451064 JXMJARPLCAVIHP-RYUDHWBXSA-N 230.315 2.588 30 20 BFED COc1cc(OC[C@@H]2CCCCO2)ccc1C#N 583602775 NEDVOQHKKWOVRU-ZDUSSCGKSA-N 247.294 2.515 30 20 BFED Cn1ncc(Cl)c1/C=C\C(=O)c1ccccc1 588534848 YKVWVLNQHFFWKX-FPLPWBNLSA-N 246.697 2.970 30 20 BFED Cc1ccc(F)c(/C=C\C(=O)c2ccnn2C)c1 588595270 ZHFMLESKBXWJRM-XQRVVYSFSA-N 244.269 2.764 30 20 BFED COc1ccnc(NC(=O)CCCCCC#N)c1 588661768 NYXJRHCVJNEZAV-UHFFFAOYSA-N 247.298 2.503 30 20 BFED CC(C)=CCC[C@@H](C)NC(=O)NC[C@H](C)C#N 590936302 ICXLMJRSXSYSMD-VXGBXAGGSA-N 237.347 2.580 30 20 BFED CC[C@H](C#N)C(=O)N(C)[C@@H]1CCC(C)(C)C1 593676573 KNTUFFZXWSMVNT-GHMZBOCLSA-N 222.332 2.573 30 20 BFED CN(CCc1ccc(C#N)cc1)C1CCCC1 595289539 UAKDLCCGHGQZTB-UHFFFAOYSA-N 228.339 2.975 30 20 BFED CCC[C@@H](C)[C@H]1CCCN1c1cc(C#N)cnn1 596165313 JRMWMSPJAXWJLE-DGCLKSJQSA-N 244.342 2.753 30 20 BFED C=CC[C@H](C)NC(=O)CC1(C#N)CCCCC1 597260610 PWDABECGAJJOLM-LBPRGKRZSA-N 234.343 2.931 30 20 BFED CCc1ccsc1C(=O)N(CC)[C@H](C)C#N 598356765 WYZFZOUFGFCVLL-SECBINFHSA-N 236.340 2.685 30 20 BFED C[C@H](CCC#N)CN(C)Cc1ccc(C#N)cc1 602438930 KBDOUPFVLNKOSI-CYBMUJFWSA-N 241.338 2.930 30 20 BFED N#C[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 611370800 QBUNIKAEDOZSPQ-SKDRFNHKSA-N 231.255 2.699 30 20 BFED C[C@@H](CC#N)NCc1ccc2ncccc2c1 612584403 FNCMZFVECLBLKF-NSHDSACASA-N 225.295 2.627 30 20 BFED Cc1cnccc1N1CCC[C@](C)(C#N)C1 619489809 OZYGHUPRWVHGLS-CYBMUJFWSA-N 215.300 2.520 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1cc(F)ccn1 622152684 RJLIZIFDZKFSEH-GFCCVEGCSA-N 222.263 2.762 30 20 BFED C=CCN(C(=O)c1ccc(C(C)=O)o1)C(C)(C)C 622945159 VEUDMWHOFRGCBN-UHFFFAOYSA-N 249.310 2.909 30 20 BFED C=CCCCN1CCc2c(O)cccc2C1 626027446 WZXNCZTUNFZBRC-UHFFFAOYSA-N 217.312 2.717 30 20 BFED C=CC[C@@H]1CCN(Cc2cccc(C(=O)O)c2)C1 629366743 UUYXSFHTRRQPRO-GFCCVEGCSA-N 245.322 2.783 30 20 BFED C=CCCCNC(=O)NC1(C(F)F)CCCC1 642765856 RFYZRFCNBOEIMW-UHFFFAOYSA-N 246.301 2.830 30 20 BFED C=C[C@H](C)NCc1cc(F)c(OC)cc1OC 651733619 NTUSQQVZSHIRSL-VIFPVBQESA-N 239.290 2.507 30 20 BFED C=C(C)CCN1CCCC[C@H]1[C@@H]1CCCNC1 710269444 XVIZBBNPLBVHDD-CABCVRRESA-N 236.403 2.807 30 20 BFED CC(C)(O)[C@H]1CCCN(c2ccc(C#N)cc2)C1 719677974 XNFJBJHCZPQXIS-ZDUSSCGKSA-N 244.338 2.546 30 20 BFED C#CCN(CC)C(=O)c1ccc(C(F)F)cc1 726502810 IHQHHOQFTDRCPV-UHFFFAOYSA-N 237.249 2.720 30 20 BFED C=CCCC(=O)O[C@H](C)C(=O)c1ccccc1 726649687 BCJUGQQKASKGPY-LLVKDONJSA-N 232.279 2.767 30 20 BFED C#CCOC(=O)C(C)(C)c1ccccc1Cl 729010872 QFMPGIQPMBFHAR-UHFFFAOYSA-N 236.698 2.794 30 20 BFED C#CCOc1ccc(NC(=O)/C=C/CCC)cc1 731012899 YXRRDICUKNDAQA-VOTSOKGWSA-N 243.306 2.993 30 20 BFED C=CCCCN[C@@](CC)(C(=O)O)c1ccccc1 736102746 VRQDOBADHGDUQX-OAHLLOKOSA-N 247.338 2.932 30 20 BFED CC(=NNc1ccc(C(=O)O)cc1)c1ccoc1 755875394 UDCVTTLENWVEJL-UHFFFAOYSA-N 244.250 2.814 30 20 BFED CC(=NNc1ccccc1C(=O)O)c1ccoc1 755886572 OIFVMARQRKJNIM-UHFFFAOYSA-N 244.250 2.814 30 20 BFED CCC(=NN=c1cc[nH]cc1Cl)C(C)C 756841994 HESILQWESAIHQR-UHFFFAOYSA-N 225.723 2.991 30 20 BFED CC(Cc1ccccc1C)=NNC1CC1 758132376 BQPFPUQYQPAMPJ-UHFFFAOYSA-N 202.301 2.665 30 20 BFED CC#CCCOC(=O)c1ccc2c(c1)CCCN2 765462763 JBRMEHPPFSTGMB-UHFFFAOYSA-N 243.306 2.615 30 20 BFED C#CCCCN1CCC[C@@H](OCCC)CC1 766900529 MEJXPMDXEJFMMJ-CQSZACIVSA-N 223.360 2.681 30 20 BFED CC#CCCCC(=O)NCc1c(C)cccc1F 767086902 MHIHIHJIWOVJGG-UHFFFAOYSA-N 247.313 2.944 30 20 BFED C#C[C@@H](C)N(C)C[C@H]1CCc2ccccc21 769976237 XUSVUIQLDAPYQO-TZMCWYRMSA-N 213.324 2.670 30 20 BFED Clc1cccnc1NN=C1CCCOCC1 770595650 GJHDUVTZOUUCOJ-UHFFFAOYSA-N 239.706 2.703 30 20 BFED C=C1CCN(C(=O)C=C2CCSCC2)CC1 771663698 NHKZXXHQYIFVGG-UHFFFAOYSA-N 237.368 2.618 30 20 BFED C=CCN(C(=O)Nc1ncccc1OC)C(C)C 771796848 SLFKMFKJGYYVOA-UHFFFAOYSA-N 249.314 2.519 30 20 BFED C=C(CC)COC(=O)/C=C/c1ccco1 773437345 SSBRYRPMOUVPCE-VOTSOKGWSA-N 206.241 2.802 30 20 BFED C#C[C@@H](C)N(C)Cc1cc(Cl)cc(F)c1O 775179238 LYUMZFDAHQNLTJ-MRVPVSSYSA-N 241.693 2.638 30 20 BFED CCc1ccc(CC(=O)OCC2(C#N)CC2)cc1 775860321 RHVPUTXWESBMAI-UHFFFAOYSA-N 243.306 2.638 30 20 BFED C=CCCCOC(=O)c1csc2cncn12 777098754 ASKPLECWWYGTEK-UHFFFAOYSA-N 236.296 2.519 30 20 BFED CCc1ccc(C(C)=NN[C@H](C)COC)s1 777895078 TYDNCMPVRZOZAC-SECBINFHSA-N 240.372 2.659 30 20 BFED C[C@@H]1CCCC(=NNc2ncccn2)[C@@H]1C 781123969 QKQKDDREPDXOGK-NXEZZACHSA-N 218.304 2.701 30 20 BFED N#Cc1cccc(C=NNc2ccnc(F)c2)c1 781130614 ZXNXIUDIAPIMLM-UHFFFAOYSA-N 240.241 2.538 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@@H](SC)C1 785411422 OMCVMJONMFQBIX-NQBHXWOUSA-N 241.400 2.989 30 20 BFED C=CCOC(=O)CCCc1ccc(O)c(F)c1 787845947 RVCRKLONMJOLPC-UHFFFAOYSA-N 238.258 2.583 30 20 BFED CC(=NNc1ncccc1C)c1ccc(F)cn1 790190148 FZGZRQNLLJNBLD-UHFFFAOYSA-N 244.273 2.760 30 20 BFED C=C(Cl)CN(CCOC)[C@@H]1CC[C@@H](C)C1 792466604 ZNKLPGLOHZVEBN-ZYHUDNBSSA-N 231.767 2.876 30 20 BFED CC[C@@H](C)CONC(=O)CCCCCC#N 794842015 GTBJPBXCEQLCJX-LLVKDONJSA-N 226.320 2.554 30 20 BFED C=CCNN=Cc1ccc([C@@H]2C[C@H]2C)o1 794998402 KFBNBHSOBFSSRR-MWLCHTKSSA-N 204.273 2.513 30 20 BFED C#C[C@@H](NC(=O)N[C@@H](C)CCC1CC1)C(C)C 798544618 CWOOFCQBVOTQDD-WCQYABFASA-N 236.359 2.522 30 20 BFED O=[N+]([O-])c1cccnc1NN=C1CCC12CCC2 799881265 NDLVSSXIICEEHR-UHFFFAOYSA-N 246.270 2.722 30 20 BFED N#Cc1ccc(CN[C@@H]2CCC23CCC3)cc1 800477128 SRJHCQRXNAMLQE-CQSZACIVSA-N 226.323 2.981 30 20 BFED C#Cc1ccc(CN(C)CC(C)(C)OC)cc1 809591739 AKZHJYQZPNFGGF-UHFFFAOYSA-N 231.339 2.525 30 20 BFED C#Cc1ccc(CNCc2csc(C)n2)cc1 809604030 NBKTUTHRKRBHON-UHFFFAOYSA-N 242.347 2.723 30 20 BFED C(=NNCCCc1ccccc1)[C@@H]1CCCOC1 814837750 JJPSKKYQWHPBCO-HNNXBMFYSA-N 246.354 2.621 30 20 BFED CSC(C)(C)CC=NOC1CCOCC1 814907270 BCWKJERTNLXMJK-UHFFFAOYSA-N 231.361 2.700 30 20 BFED C=CCC(F)(F)C(=O)OCc1ccc(C)nc1 815988195 CVGDJXRJNDOEGH-UHFFFAOYSA-N 241.237 2.645 30 20 BFED CC[C@H](C#N)OC(=O)c1cccc(F)c1C 817244060 UANWZNBCCPZCDJ-SECBINFHSA-N 221.231 2.593 30 20 BFED CCCCC(COC)=NN[C@H](C)c1ccncc1 819815451 QRPONZHBRLPNER-GFCCVEGCSA-N 249.358 2.925 30 20 BFED CC(C)C#CC(=O)N[C@H](C)CCCC(C)C 820714169 UYBOZVZZNDSBRX-CYBMUJFWSA-N 223.360 2.977 30 20 BFED CC#CCN(C)C(=O)[C@H](C)c1ccccc1C 820819568 MRTISQHXQZWCTJ-CYBMUJFWSA-N 229.323 2.580 30 20 BFED C=C(C)CCNCc1ccc(OCC)cc1O 824743791 MRIGSJBYQZHSTM-UHFFFAOYSA-N 235.327 2.847 30 20 BFED C=C[C@H](CC)CC(=O)N(C)CC1=CCSC1 826649216 CNTTUGAJPDBMFQ-LLVKDONJSA-N 239.384 2.720 30 20 BFED CC(=NOC(C)C)c1ccccc1[N+](=O)[O-] 835004389 NLDMZDKEKQYOAI-UHFFFAOYSA-N 222.244 2.744 30 20 BFED C=CCON=Cc1ccc(N(C)CCC#N)cc1 835015892 NWEWERRNGADWCJ-UHFFFAOYSA-N 243.310 2.573 30 20 BFED C=CCON=Cc1c(C)cccc1OC 835016034 VHDQINJGMGFGKS-UHFFFAOYSA-N 205.257 2.540 30 20 BFED C[C@@H](CC(C)(C)C)OC(=O)CSCC#N 835704620 XXENAUWJKBYSSZ-VIFPVBQESA-N 229.345 2.611 30 20 BFED C#Cc1cccc(NC(=O)NC[C@@H]2C[C@H]2CC)c1 836253774 NGHLZSPDUJQXDG-OLZOCXBDSA-N 242.322 2.836 30 20 BFED CCCCCCCCC(=O)OCc1cnn[nH]1 838899820 AJNLTPREXBIEFX-UHFFFAOYSA-N 239.319 2.599 30 20 BFED C/C=C\C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 841371105 VYYQVVQVYUOMMG-CTGSTSKSSA-N 240.306 2.628 30 20 BFED C/C=C\C(=O)N[C@H]1CCCc2cc(C#N)ccc21 841371113 VYYQVVQVYUOMMG-XBPVQUQDSA-N 240.306 2.628 30 20 BFED CCc1ncc(C=NN[C@@H]2CCCC2(C)C)cn1 841635755 PGIABRWHQVBCDZ-GFCCVEGCSA-N 246.358 2.541 30 20 BFED CCC(=NN(C)[C@H](C)CO)C1CCCCC1 842542359 ZMZCJQJEHZUZSM-LLVKDONJSA-N 226.364 2.645 30 20 BFED CCCON=Cc1sc(N(C)C)nc1Cl 842565016 AJCJQUNDMADHMB-UHFFFAOYSA-N 247.751 2.623 30 20 BFED C=CCC(CC=C)c1nc([C@@H](C)CNC)no1 842584326 UARXZTPANOTQNK-JTQLQIEISA-N 235.331 2.628 30 20 BFED N#Cc1cccc(NC(=O)C(F)=C2CCCC2)n1 843612288 BYBQQEZQZAWMII-UHFFFAOYSA-N 245.257 2.689 30 20 BFED C=C(C)[C@@H](CC(=O)N(OCC)C(C)C)OCC 844076162 WXVJYPNHLXQSLE-GFCCVEGCSA-N 243.347 2.546 30 20 BFED C=C(C)CONC(=O)[C@@H](C)C(CC)CC 846536428 KYOZQAXPOLTTNX-JTQLQIEISA-N 213.321 2.683 30 20 BFED C=C[C@@H](C)ONC(=O)c1c(C)cccc1Cl 846554119 HEYRMWZXUQDOKG-SECBINFHSA-N 239.702 2.884 30 20 BFED C=C[C@@H]1CCCCN1CC1(Br)CC1 846881467 RHEIBTMYTINJEX-SNVBAGLBSA-N 244.176 2.954 30 20 BFED CCc1cccc(C=NOCC(F)F)c1O 848408426 NASZIPOBVXMPFJ-UHFFFAOYSA-N 229.226 2.570 30 20 BFED N#CCc1ccc(COC(=O)CCCF)cc1 850195135 NERMDIBEPVAUIX-UHFFFAOYSA-N 235.258 2.546 30 20 BFED N#Cc1ccc(C(=O)OC[C@@H]2C[C@@H]3C[C@@H]3C2)cc1 851417011 WDZFBGOBUGIFPB-DEZZGGKRSA-N 241.290 2.761 30 20 BFED C=CCCCCCCCNC(=O)[C@](C)(O)C=C 854500706 YWBRVRCTVRNJAN-CQSZACIVSA-N 239.359 2.566 30 20 BFED CCCCCCCNC(=O)OC1CCOCC1 859246874 KGHRDIDGRVXRCH-UHFFFAOYSA-N 243.347 2.862 30 20 BFED C=C[C@@H](C)OC(=O)C[C@@H](C)c1ccco1 860681126 CIYSOHOVZOGAKO-NXEZZACHSA-N 208.257 2.891 30 20 BFED N#Cc1c(N[C@H]2CC23CCC3)nc2ccccn12 872775569 VDDKCLACGXDYAT-NSHDSACASA-N 238.294 2.560 30 20 BFED C#CCCCCCCN[C@H]1CCO[C@H](C)C1 877118856 OEZLNRNZUJNVRA-KGLIPLIRSA-N 223.360 2.727 30 20 BFED C#CCCCCCCN[C@@H](C)[C@@H](C)OC 877463508 AJFLFFHSGYWIKQ-QWHCGFSZSA-N 211.349 2.583 30 20 BFED Cc1nc(C#N)cc(NC[C@@H]2C[C@H]2C2CCC2)n1 882481484 SEGFDIICTUDCGB-AAEUAGOBSA-N 242.326 2.505 30 20 BFED C=CC(C)(C)CC(=O)O[C@@H]1CCC(C)(C)C1=O 884649064 RQOTXLKBCFILLY-SNVBAGLBSA-N 238.327 2.890 30 20 BFED N#Cc1cccc(C(=O)N2C[C@H]3CCC[C@H]2C3)c1 890322244 WGPBJYZTYOSNGA-JSGCOSHPSA-N 240.306 2.573 30 20 BFED C=C1CCN(C(=O)N[C@@H]2CCC[C@H](C)C2)CC1 892033141 YUMOFGWQMZTTHP-QWHCGFSZSA-N 236.359 2.927 30 20 BFED C#Cc1ccc(C(=O)NC2(C(C)C)CC2)cc1 897865215 XRIORGDJOYICRK-UHFFFAOYSA-N 227.307 2.586 30 20 BFED CC(C)CCC(=O)N(O)Cc1ccc(F)cc1 901376486 VGTTTXYRXZMQND-UHFFFAOYSA-N 239.290 2.980 30 20 BFED CCCCN(O)C(=O)Cc1c(F)cccc1F 904212743 UARQKFCVFOYVAB-UHFFFAOYSA-N 243.253 2.525 30 20 BFED CCCCN(O)C(=O)c1oc(CCC)nc1C 904213689 XFQYTWBFJDEFHB-UHFFFAOYSA-N 240.303 2.567 30 20 BFED C#CCO[C@H](C)c1nc(-c2ccc(F)cc2)no1 904273714 AMACJZANNKJEDF-SECBINFHSA-N 246.241 2.587 30 20 BFED CCO[C@H]1CCCC(=NOCCOC(C)C)C1 905470871 XWCBROONQCETHA-ZDUSSCGKSA-N 243.347 2.763 30 20 BFED C=C[C@@H](CC)CC(=O)OCC(=O)C1(C)CC1 909525391 NWFCOWWPACSREC-JTQLQIEISA-N 224.300 2.501 30 20 BFED C[Si](C)(C)C#CCCNC(=O)C1CC2(CC2)C1 912328249 ZLFCWWGRXVNAOI-UHFFFAOYSA-N 249.430 2.564 30 20 BFED C=C(C)CNC(=S)NC[C@H]1CCC[C@@H](C)C1 920074869 MPVSAIICIGZJOC-NEPJUHHUSA-N 240.416 2.853 30 20 BFED C=CCCOCC(=O)OC/C=C\c1ccccc1 920730465 DQKAVQOZJUJYOZ-YFHOEESVSA-N 246.306 2.836 30 20 BFED C[C@@H](CC(C)(C)C#N)NCCCCC#N 924943733 WSMVCBFBKCFFKP-NSHDSACASA-N 207.321 2.598 30 20 BFED CCn1cc([C@@H](C)N[C@H](C)CC(C)(C)C#N)cn1 926540943 IBTTYQAAWVPWRI-VXGBXAGGSA-N 248.374 2.882 30 20 BFED C[C@@H](CC(C)(C)C#N)NCCCC1(O)CCC1 926605393 VCZOABGLFOCZJJ-LBPRGKRZSA-N 238.375 2.600 30 20 BFED CCCC[C@](C)(F)C(=O)N1CCC[C@H](C#N)C1 928214396 MNVUJSZKMRHSIV-YPMHNXCESA-N 240.322 2.667 30 20 BFED C#C[C@@H](C)N(C)C(=O)c1cc2c(C)cccc2o1 935675692 WACDHOKWPTWCDB-LLVKDONJSA-N 241.290 2.835 30 20 BFED C=C(C)CCC(=O)N[C@@H](C)CCSC 1120604336 MQGZCZKUVGNPCR-JTQLQIEISA-N 215.362 2.601 30 20 BFED CC(C)NC(=S)NN=C[C@H](C)c1ccccc1 1317705653 LJOUXSNHTIIRCY-NSHDSACASA-N 249.383 2.648 30 20 BFED C[C@H]1CCCC(=NNCC2CCOCC2)[C@@H]1C 1320070591 KKVDQJAIQCHLBN-NWDGAFQWSA-N 238.375 2.815 30 20 BFED C#Cc1ccc(N2CCC[C@H]2C2CCC2)nc1 1336512898 BWOWNHTVVOGMNV-AWEZNQCLSA-N 226.323 2.832 30 20 BFED N#Cc1cc(Cl)ccc1NC(=O)[C@@H]1C[C@H]1F 1339086414 RTKLFLKXMGBLQK-RKDXNWHRSA-N 238.649 2.508 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCC1(C)CCC1 1343455808 DSWRSAWMCLTVEG-RYUDHWBXSA-N 238.327 2.701 30 20 BFED C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 1343520048 ZXMSYMXYAQMESK-XPCVCDNBSA-N 233.355 2.917 30 20 BFED C=CCC1(C(=O)OCCOC2CC2)CCCC1 1343977584 YCLBDTKTMBNATI-UHFFFAOYSA-N 238.327 2.845 30 20 BFED C=C[C@](C)(CCOC)COC(=O)[C@H](F)CC 1348139524 MSEWALIGABKRKW-ZYHUDNBSSA-N 232.295 2.507 30 20 BFED C=C1CCN(c2noc(C(C)(C)C)n2)CC1 1515457436 AVTQDZMNIFETEG-UHFFFAOYSA-N 221.304 2.524 30 20 BFED Cc1occc1C(=O)[C@H](C#N)c1cccc(F)n1 1524696505 RWZBGEDHXZQPDW-SNVBAGLBSA-N 244.225 2.612 30 20 BFED C=C(CC)C(=O)Nc1ccc(N(C)C(C)=O)cc1 1527611624 QKRKDGLEIMONTE-UHFFFAOYSA-N 246.310 2.574 30 20 BFED CC[C@H]1CCN(Cc2cc(C#N)ccn2)[C@@H]1C 1559769611 PWARKOITHIEHCR-YPMHNXCESA-N 229.327 2.574 30 20 BFED N#Cc1cccc(S[C@@H](C(=O)O)C2CC2)c1 1574489493 JGPMQHZPQUTJAQ-LLVKDONJSA-N 233.292 2.514 30 20 BFED C=C(CN[C@@H](CCCC)C(=O)O)c1ccccc1 1588636981 BKZUYDUVVGMSSU-AWEZNQCLSA-N 247.338 2.933 30 20 BFED C=CCCCCCN[C@H]1CCC[C@H]1C(=O)O 1588799682 AGUZGIRHSKARQB-NEPJUHHUSA-N 225.332 2.576 30 20 BFED C=C[C@@H](N[C@@H](C)C(C)(C)c1ccccc1)C(=O)O 1602817012 UBCZTDNNYUFAHV-WCQYABFASA-N 247.338 2.582 30 20 BFED C=CC[C@H](Sc1ccoc1C)C(=O)O 1602848498 CEXZNHIPAHADSL-VIFPVBQESA-N 212.270 2.709 30 20 BFED N#Cc1c[nH]ccc1=NCc1ccc2occc2c1 1651225187 YVKLOZYLMYMYII-UHFFFAOYSA-N 249.273 2.733 30 20 BFED C#CCN[C@H](C)c1cccc(OC(F)F)c1 20084701 SOQWCWPHRRPUDM-SECBINFHSA-N 225.238 2.572 30 20 BFED C=CCNC(=O)N[C@@H](CC)c1ccccc1OC 31101228 LRMFNPFBMRUSDF-LBPRGKRZSA-N 248.326 2.632 30 20 BFED C#CCN(C)Cc1ccccc1Br 31483909 RAQPZRZYBLVXPM-UHFFFAOYSA-N 238.128 2.514 30 20 BFED C[C@H](CC#N)NCc1ccccc1Cl 37871178 XVHNGAKPHDZTBT-SECBINFHSA-N 208.692 2.732 30 20 BFED CCC[C@H](C#N)NC(=O)C(C)(C)c1ccccc1 40352472 KIYUYKLCTMOTBL-CYBMUJFWSA-N 244.338 2.773 30 20 BFED CCN(Cc1ccsc1)C[C@@H](C)C#N 42449585 QMPVHHLIWCWDTQ-JTQLQIEISA-N 208.330 2.730 30 20 BFED CC(C)N(CCC#N)C(=O)c1cccs1 42530413 CQQMIFDRDZXRNU-UHFFFAOYSA-N 222.313 2.512 30 20 BFED C=CCOc1ccccc1C(=O)NC[C@H]1C[C@H]1C 42983796 JXLJJZBSSDIDHR-VXGBXAGGSA-N 245.322 2.637 30 20 BFED CC[C@@H](C#N)C(=O)N[C@@H](C)C1CCCCC1 52343114 WHOJALJGYYFOKB-QWRGUYRKSA-N 222.332 2.621 30 20 BFED C[C@@H](C#N)CNC(=O)c1ccc(C(C)(C)C)cc1 54157364 VPNXFUWLBMHVOC-NSHDSACASA-N 244.338 2.874 30 20 BFED C=C(C)CNC(=S)N(C)CC1CCCC1 63876013 UQDHUNWHUCJBIE-UHFFFAOYSA-N 226.389 2.559 30 20 BFED CC(C)[C@H](C)C(=O)N[C@H](C#N)C1CCCCC1 70124054 JYTYRQILHFNMHN-WCQYABFASA-N 236.359 2.867 30 20 BFED N#Cc1cc(NC(=O)C=C2CCC2)ccc1F 87239738 FQIGKODUFYKMEP-UHFFFAOYSA-N 230.242 2.746 30 20 BFED CCCCCCCCN1CC[C@H](CN)C1 88236275 LNWZXECMRWIHGV-CYBMUJFWSA-N 212.381 2.628 30 20 BFED COCCCCO/N=C1/CCOc2ccccc21 89736191 GPMSEICTVCIAFE-SQFISAMPSA-N 249.310 2.616 30 20 BFED C=CC1CCN(C(=O)c2cccc(F)c2)CC1 110363356 ZJKKWQPVEQKMKS-UHFFFAOYSA-N 233.286 2.864 30 20 BFED C#CCCCCC(=O)N1[C@H](C)CCC[C@H]1C 120102599 GLQGVEPPCOPUAZ-CHWSQXEVSA-N 221.344 2.970 30 20 BFED C=CCC[C@@H](C)NCCc1ccncc1 126866133 VWWLXMNYRISPAK-GFCCVEGCSA-N 204.317 2.568 30 20 BFED C=CCC(CC=C)C(=O)N[C@](C)(C#N)C(C)C 128943317 OINWMZJLIKIZQK-CQSZACIVSA-N 234.343 2.809 30 20 BFED CCC/C(N)=N/OCc1ncc(C(C)(C)C)o1 131496379 MYLSBUUMMXMGJN-UHFFFAOYSA-N 239.319 2.561 30 20 BFED N#Cc1ccc(CNC[C@H]2Cc3ccccc32)o1 135173962 VQLDKWLZJOLAKH-GFCCVEGCSA-N 238.290 2.581 30 20 BFED CSC[C@H](C)Nc1nc(C)cc(C)c1C#N 135476309 HFIUJRKFKQJCAB-JTQLQIEISA-N 235.356 2.734 30 20 BFED CCSCC[C@@H](C)Nc1cc(C#N)ccn1 135614625 WLANQQUAWCFLPG-SNVBAGLBSA-N 235.356 2.897 30 20 BFED N#CC1(C(=O)N[C@H]2C[C@H]2C2CCCCC2)CCC1 155784498 QNRJDVINLDXCOK-STQMWFEESA-N 246.354 2.765 30 20 BFED CCN(C(=O)c1ccc(C#N)[nH]1)c1ccccc1 156683035 VAISYSOGMXIBLP-UHFFFAOYSA-N 239.278 2.553 30 20 BFED CC(C)[C@@H]1CCC[C@@H](Nc2ccc(C#N)nn2)C1 159333072 NANDKJNAJBSCIA-VXGBXAGGSA-N 244.342 2.975 30 20 BFED C#C[C@@H](C)NC1CC(c2ccc(C)cc2)C1 166531732 YEWPPNBNXKCVGE-LRVUVFPRSA-N 213.324 2.852 30 20 BFED C#CCCOC(=O)Cc1cccc(OC(C)C)c1 170715672 SBENKIFCYKPRDH-UHFFFAOYSA-N 246.306 2.583 30 20 BFED Cc1cccc2c1CCN(CCCC#N)C2 170922464 SYXHJMXIESJBNQ-UHFFFAOYSA-N 214.312 2.657 30 20 BFED CC[C@@H](CC(=O)OCCCC#N)C(C)C 170924483 SNYNDCZDJILOKF-NSHDSACASA-N 211.305 2.906 30 20 BFED C#CCCCNC(=O)Nc1cccc(F)c1C 175024460 YWBRYKYVLLZJQK-UHFFFAOYSA-N 234.274 2.669 30 20 BFED N#Cc1ccsc1NC(=O)CCc1ccoc1 177052282 MQBZJTALSYYDFM-UHFFFAOYSA-N 246.291 2.784 30 20 BFED CC(C)OCCO/N=C1/CCOc2ccccc21 181579085 AOSXYUIYAPZTDE-SQFISAMPSA-N 249.310 2.615 30 20 BFED CC(C)CCC[S@](=O)CCCCC#N 182304531 NTSBBQWIKVCUOA-CQSZACIVSA-N 215.362 2.865 30 20 BFED CCc1cnc(CN[C@H]2CCC[C@@H](C#N)C2)s1 185849521 QCTCBKWMJBHLIV-MNOVXSKESA-N 249.383 2.877 30 20 BFED C#C[C@@H](C)NC(=O)C(C)(C)c1cccc(Cl)c1 186058609 MWOOVQRKDJSBPO-SNVBAGLBSA-N 249.741 2.756 30 20 BFED C#CCOc1ccccc1NC(=O)CCC=C 187239667 BLCSBQRPAFUDNQ-UHFFFAOYSA-N 229.279 2.603 30 20 BFED C#CCNC(=O)N1CCCC(CC)(CC)CC1 188494095 FADFATXYMGTABA-UHFFFAOYSA-N 236.359 2.622 30 20 BFED CCOC(=O)CS[C@@H](C)c1cccc(C#N)c1 189774637 XUAKSGRCNQAAJZ-JTQLQIEISA-N 249.335 2.916 30 20 BFED C=C[C@H](CC(=O)N1CCCCO1)c1ccccc1 190084966 HFFKQQZSFIUYLW-CYBMUJFWSA-N 245.322 2.900 30 20 BFED C=C(C)CN(C)C(=O)c1c(C)cccc1[N+](=O)[O-] 192456082 COUKYIHYUKHAFV-UHFFFAOYSA-N 248.282 2.551 30 20 BFED N#C[C@@H]1CCC[C@H](NC(C2CC2)C2CC2)C1 192744778 XMVRZPRDJXZNFL-MFKMUULPSA-N 218.344 2.847 30 20 BFED Cc1noc(C)c1/C=C/C(=O)c1ccncc1 192763392 OGCIUROJCDOGKA-ONEGZZNKSA-N 228.251 2.583 30 20 BFED C=CCNC(=O)Nc1ccc(C)c(OC)c1C 193042928 NRROJDYEDFKFTO-UHFFFAOYSA-N 234.299 2.620 30 20 BFED C=CCCCCCN[C@H](CO)C(C)(C)C 193542984 VASVPBRRUGPVRJ-GFCCVEGCSA-N 213.365 2.729 30 20 BFED C#C[C@H](CC)Nc1cc(Cl)nc(C2CC2)n1 234047008 NLXXETRDACHZEE-SECBINFHSA-N 235.718 2.831 30 20 BFED COc1ccc(CNCCCCC#N)cc1C 237238086 OFCGVNHHOPXURB-UHFFFAOYSA-N 232.327 2.787 30 20 BFED C=C(C)COCCN[C@@H]1CC[C@H](C)[C@H](C)C1 248633983 JGKXKLYVFVOCPY-BFHYXJOUSA-N 225.376 2.993 30 20 BFED N#Cc1ccc(N2CC[C@@H]3CCCC[C@H]3C2)cn1 250078684 HFQDCLKXXIGHGA-STQMWFEESA-N 241.338 2.970 30 20 BFED C=C(CN[C@@H]1CCN(C)C[C@H]1C)c1ccccc1 252715486 VTXXMLMFTNOLTM-GDBMZVCRSA-N 244.382 2.630 30 20 BFED N#C[C@H]1CC[C@@H](NC(=O)c2cccc(Cl)c2)C1 260045649 PCPKALYCWQRHGN-JOYOIKCWSA-N 248.713 2.762 30 20 BFED C#CCCCN[C@](C)(CC)c1nccs1 271070536 VJVCFCHSBFPBQY-GFCCVEGCSA-N 222.357 2.771 30 20 BFED CC1(C)Cc2cc(CNCCCC#N)ccc2O1 273029121 FZUORDOIVOMTQV-UHFFFAOYSA-N 244.338 2.793 30 20 BFED C=CCCN(C)[C@H](C(=O)OC)c1ccccc1C 276393039 JNWARLJOCXTGAE-AWEZNQCLSA-N 247.338 2.717 30 20 BFED COc1ccccc1CN(C)[C@@H]1CC[C@H](C#N)C1 278765396 YFTAVIZCPMPICJ-GXTWGEPZSA-N 244.338 2.819 30 20 BFED C=CCn1c(C)nnc1N1CC[C@@H](C)C(C)(C)C1 282364833 UBFLGQKCPJHFMF-LLVKDONJSA-N 248.374 2.645 30 20 BFED CN(CC#N)[C@H]1C[C@H](Oc2ccccc2)C1(C)C 287481864 SIIJBKRYRGCFTP-KBPBESRZSA-N 244.338 2.688 30 20 BFED C[C@@H](N(C)c1cc(C#N)ccn1)C1(C)CC1 287954847 SLZQLTDZFDGJIO-SNVBAGLBSA-N 215.300 2.578 30 20 BFED C=C(C)CCNc1ccc(CNC(=O)OC)cc1 288764504 SWZFXPKHDYNXEV-UHFFFAOYSA-N 248.326 2.921 30 20 BFED C=CCC1(C(=O)N[C@@H](C)C(F)(F)F)CCC1 290013704 GMGDFJFOKTYAJK-QMMMGPOBSA-N 235.249 2.800 30 20 BFED C=CC(C)(C)C(=O)NCc1sccc1C 294801504 UJLNZDRAQYTLBJ-UHFFFAOYSA-N 223.341 2.885 30 20 BFED CCCN(CC#N)Cc1csc(C)c1 294826035 NDGZPYNZAQKILD-UHFFFAOYSA-N 208.330 2.792 30 20 BFED CCN(CC#N)C[C@H](C)c1cc(F)cc(F)c1 294951410 VQPUUDTULUIMLR-JTQLQIEISA-N 238.281 2.914 30 20 BFED CCC(CC)C(=O)N(CCC#N)Cc1ccco1 299266021 OKABZLHUZPRJTH-UHFFFAOYSA-N 248.326 2.958 30 20 BFED N#Cc1ccc(N2C[C@@H]3CCCC[C@H]3C2)cn1 301590009 XFZITFQRPLDHPW-RYUDHWBXSA-N 227.311 2.580 30 20 BFED CN(CC(C)(C)C)c1cc(C#N)ccc1[N+](=O)[O-] 302228852 XNHMNLVZUFNUKT-UHFFFAOYSA-N 247.298 2.949 30 20 BFED N#Cc1cncnc1Sc1cccs1 306202272 SDQXBTRIDICKPK-UHFFFAOYSA-N 219.294 2.561 30 20 BFED Cc1cc(C#N)cc(N[C@H](C)[C@@H]2CCOC2)c1 308099763 DWPJRMVNKVRRLE-DGCLKSJQSA-N 230.311 2.704 30 20 BFED CCc1nc(C#N)cc(NCCCC2CC2)n1 308164342 FAABTVHOGNBODM-UHFFFAOYSA-N 230.315 2.513 30 20 BFED Cc1nc(C#N)cc(NCc2ccc(C)s2)n1 308262575 NMQQZYWTRCLBFK-UHFFFAOYSA-N 244.323 2.639 30 20 BFED C#C[C@@H](CC)N[C@@H](C)CSC(C)(C)C 308696509 RGBHTBFRRIZMBQ-QWRGUYRKSA-N 213.390 2.908 30 20 BFED C=C(C)COCCNC[C@H](C)C(C)(C)C 308785861 FXFZYEDRXLBHES-LBPRGKRZSA-N 213.365 2.851 30 20 BFED C=C[C@@H](C)Nc1nc(CC)cc(CC)n1 308786522 FTQQENDZYXISCZ-SECBINFHSA-N 205.305 2.588 30 20 BFED CCCC[C@@H](C)N(C)C(=O)[C@H](C#N)CC 308852479 NATIEUQOQYOZQT-MNOVXSKESA-N 210.321 2.573 30 20 BFED C=C[C@@H](COC)N[C@@H](C)c1ccc(C)s1 308914922 FPZLOKPQPBYOHJ-QWRGUYRKSA-N 225.357 2.908 30 20 BFED C=C[C@H](COC)N[C@H]1CS[C@H](C(C)(C)C)C1 309418085 CZKRSYSKUSLOKP-UTUOFQBUSA-N 243.416 2.697 30 20 BFED CCC[C@H](C#N)NC(=O)C(C)(C)C1CCC1 322448847 FKGIXWPKTQLARA-LLVKDONJSA-N 222.332 2.621 30 20 BFED OC(C[C@H]1CCOC1)=Nc1ccc2nc[nH]c2c1 329101062 ZQRFJVYDLWCCPW-SECBINFHSA-N 245.282 2.578 30 20 BFED C[C@]1(F)CCN(Cc2cc(C#N)ccc2F)C1 334357754 QTNIQXXJQYCFMF-ZDUSSCGKSA-N 236.265 2.631 30 20 BFED C[C@H]1CC[C@@](C)(C(=O)N(C)CCC#N)C1(C)C 334563359 KJKQWERPNDSSRX-FZMZJTMJSA-N 236.359 2.821 30 20 BFED C[C@H](C(=O)NC1(C#N)CCCCC1)C1CCC1 334712674 FONZXYCCKLGBEA-NSHDSACASA-N 234.343 2.765 30 20 BFED C[C@H]1CCC[C@@H](NCC2(C#N)CCC2)C1 334927785 GSDONXZKWRTZHG-NWDGAFQWSA-N 206.333 2.849 30 20 BFED CSC[C@@H]1CCCN(c2cccc(C#N)n2)C1 335312178 FSUPVXDKXCCVML-LLVKDONJSA-N 247.367 2.533 30 20 BFED C=C[C@H]1CCCCN1c1nc(CC)ns1 336093361 ZBCMMTJBKYIUJL-VIFPVBQESA-N 223.345 2.645 30 20 BFED Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCC(C)(C)C1 336187929 XDJUPIOIMAGFOD-SNVBAGLBSA-N 245.326 2.503 30 20 BFED C[C@@H](c1ccc(C#N)cc1)N1CCOC[C@H](C)C1 336361267 JTHAFCUBXJAIFU-OLZOCXBDSA-N 244.338 2.588 30 20 BFED C=CCC[C@H](CC)N[C@H]1CCCN(C)[C@H]1C 336726267 GEHYNAPYGMHAMF-IHRRRGAJSA-N 224.392 2.804 30 20 BFED C[C@@H](CO)CSCc1ccc(CC#N)cc1 342579104 XBIPWQFTIMQVIX-NSHDSACASA-N 235.352 2.614 30 20 BFED C=CCCCN1CCN(C)C[C@H]1c1ccccc1 343655516 IGBUIJGFGKXYFK-INIZCTEOSA-N 244.382 2.941 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1ccc(C)nc1O 344021125 STOJWRJYKCVVBU-CYBMUJFWSA-N 234.299 2.636 30 20 BFED CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)C#N 347108112 OBEKDDCLQCIBEK-UTUOFQBUSA-N 222.332 2.621 30 20 BFED C=CCC(C)(C)c1noc([C@@H]2CCC(=O)C2)n1 351369406 CNPARWMFQFWXOG-SECBINFHSA-N 234.299 2.760 30 20 BFED CCN(CCC1CC1)C(=O)c1ccc(C#N)s1 354873076 AIJPRJKQBLSPCL-UHFFFAOYSA-N 248.351 2.882 30 20 BFED C=C[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 358517897 QBPPDLRGRJKFAS-ZWKOPEQDSA-N 233.286 2.620 30 20 BFED C=CCOc1ccc(CC)cc1[N+](=O)[O-] 359677044 FYQCFZDFOMSWPM-UHFFFAOYSA-N 207.229 2.722 30 20 BFED C[C@H](C(=O)NCC(C)(C)C)c1cccc(C#N)c1 360034826 BFGSFOUZUDTRHX-NSHDSACASA-N 244.338 2.824 30 20 BFED Cc1nsc(N2C[C@H]3CCC[C@@H](C3)C2)c1C#N 368545949 OTKMJZFWZVYRGL-QWRGUYRKSA-N 247.367 2.950 30 20 BFED C[C@@H](CCC(C)(C)C)Nc1cc(C#N)ncn1 386224697 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CCCCCCCCC(=O)NC(C)(C)CN 114576660 KBVOGDYYCBZMKC-UHFFFAOYSA-N 228.380 2.591 30 20 BFED N#CCc1ccc(NC(=O)CCC2CC2)cc1 115009922 AQFJSJICUITDRG-UHFFFAOYSA-N 228.295 2.881 30 20 BFED N#CC1(NC(=O)CCC2CCCCC2)CC1 115151565 MZHUCOTYOJFTJD-UHFFFAOYSA-N 220.316 2.519 30 20 BFED C=CC[C@@H](C)NCc1ccc(N(C)C)cc1 116927284 CPLRQTGFCNOMQX-GFCCVEGCSA-N 218.344 2.807 30 20 BFED C=CCCCN1CCN(CCCC=C)CC1 117870537 LYCPKZQACMAFQF-UHFFFAOYSA-N 222.376 2.536 30 20 BFED C=CCCCOC(=O)c1cc(C(C)C)[nH]n1 117994410 DRNGIEJLCWMJAD-UHFFFAOYSA-N 222.288 2.656 30 20 BFED C[C@@H](c1ccc(C#N)cc1)N1CCOC(C)(C)C1 118393054 KPARRNWOYJRDQF-LBPRGKRZSA-N 244.338 2.730 30 20 BFED CCCCCCCC(=O)N1CCC[C@H]1CNC 122587187 VAGZILYUDFNCNA-ZDUSSCGKSA-N 240.391 2.557 30 20 BFED C#CCOc1ccc(CNC[C@@H](C)SC)cc1 128118379 LBOQEDKIKPNPII-GFCCVEGCSA-N 249.379 2.540 30 20 BFED N#Cc1ccc(Cl)cc1OCCCF 129626182 ZBOIUSVSBNYPKN-UHFFFAOYSA-N 213.639 2.950 30 20 BFED C=C(Cl)CN[C@@H](C)c1cnccc1C 129766285 SDBNPWJUJWATPX-JTQLQIEISA-N 210.708 2.793 30 20 BFED 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2.714 30 20 BFED Cc1cc(C(=O)N[C@@H](C#N)C(C)(C)C)oc1C 164368065 FOMHSVKLNZSNNI-NSHDSACASA-N 234.299 2.565 30 20 BFED C#CCCOC(=O)CCOc1cccc(C)c1C 170716810 RLUXJSVKADLHHK-UHFFFAOYSA-N 246.306 2.639 30 20 BFED C=CCCOC(=O)c1oc2c(c1C)C(=O)CCC2 171484743 CDGJYAJHWAKQNB-UHFFFAOYSA-N 248.278 2.840 30 20 BFED CC[C@H]1CN(Cc2ccccc2C#N)C[C@H](C)O1 171964985 AFPPHYKUGPOTPF-WFASDCNBSA-N 244.338 2.558 30 20 BFED COc1ccccc1C(=O)OCC1(CC#N)CC1 174753849 WONDTPVHOUJFFZ-UHFFFAOYSA-N 245.278 2.546 30 20 BFED N#Cc1ccc(OC(=O)[C@@H]2C[C@H]2C2CC2)cc1 176414274 FAEXNPNWWNSCCA-QWHCGFSZSA-N 227.263 2.510 30 20 BFED CCN(Cc1cccc(COC)c1)C[C@H](C)C#N 179205619 VLYVRRUFCIRCFU-CYBMUJFWSA-N 246.354 2.815 30 20 BFED C#CCCCCC(=O)N(C(C)C)C1CC1 180032913 MBLYIVUQSKDPFS-UHFFFAOYSA-N 207.317 2.579 30 20 BFED C#CCCOC(=O)c1cc(C)nn1C(CC)CC 181071684 SXSABPZZURYWBU-UHFFFAOYSA-N 248.326 2.733 30 20 BFED CC#CCCCC(=O)N1CCS[C@@H]1CCC 184004862 PEAZNRSJDMHZQZ-CYBMUJFWSA-N 239.384 2.882 30 20 BFED N#CCCCOC(=O)C[C@H]1C=CCCC1 187833842 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C[C@H]1COCC[C@H]1CNc1ccc(C#N)cc1F 286205916 BGHYGPYKERKGCO-JQWIXIFHSA-N 248.301 2.782 30 20 BFED C=CCN(CCC#N)C(=O)[C@H](C)[C@@H](C)CC 292511966 SWVGFEUSJDDNLC-NWDGAFQWSA-N 222.332 2.597 30 20 BFED C=C[C@H](N[C@@H](C)c1ccccc1Cl)C(=O)O 301054201 ZWLXEQVLIYUMNF-KWQFWETISA-N 239.702 2.630 30 20 BFED C[C@@H]1CC(C)(C)CC[C@@H]1Nc1ccc(C#N)nn1 301951677 BRYIQDDCGJNYST-PWSUYJOCSA-N 244.342 2.975 30 20 BFED C=CCCC[C@@H](C)Nc1ncnc2nc[nH]c12 302018531 MTJRZMMAPMQTBK-SECBINFHSA-N 231.303 2.510 30 20 BFED C=C(C)CN/C(N)=N/C[C@H](CC)CCCC 303695055 DHLFQTBXSWLKRW-GFCCVEGCSA-N 225.380 2.683 30 20 BFED C/C(=C\Cl)C[C@@]1(C=O)CCCOC1 306697846 CUFIDDKMGUDGSP-OLKPEBQYSA-N 202.681 2.515 30 20 BFED C=CC[C@H](NCC(CC)CC)C(=O)OCC 309645482 MDCQKEIUALNBQT-LBPRGKRZSA-N 227.348 2.520 30 20 BFED CC(C)(C)C(C)(C)C(=O)N1CCC(C#N)CC1 310331821 LVDRYALMBDGTLM-UHFFFAOYSA-N 236.359 2.821 30 20 BFED CC1(C)C[C@@H]1/N=C(/O)C[C@H]1CCCC(O)=N1 329560545 MJRQKFDNIMGCRV-BDAKNGLRSA-N 224.304 2.641 30 20 BFED N#Cc1ccnc(N=C(O)[C@H]2CCCSC2)c1 329748591 FNDLFOFAQUVHAY-JTQLQIEISA-N 247.323 2.684 30 20 BFED CC[C@]1(C)C[C@@H]1C(=O)NCC1CCC(C#N)CC1 332116946 BERXLUNMTGHGFP-UJFKTDLFSA-N 248.370 2.869 30 20 BFED C[C@@H](C#N)C(=O)N1CCC[C@H]1c1ccsc1 334270067 DVOYSIAHXWQDCX-ONGXEEELSA-N 234.324 2.571 30 20 BFED CC[C@@](C)(C#N)C(=O)N1CC[C@@H](C)C(C)(C)C1 334320839 WFZLGEUKJLWORP-RISCZKNCSA-N 236.359 2.821 30 20 BFED N#Cc1cccc(CNC2CC3(CCC3)C2)c1 334548373 ROHRRDFRJJCJGL-UHFFFAOYSA-N 226.323 2.981 30 20 BFED N#Cc1cnc(N2C[C@H]3CCCC[C@H]3C2)c(F)c1 334727203 XJCGOXDWEDAFSL-TXEJJXNPSA-N 245.301 2.719 30 20 BFED C[C@@H]1CCC[C@@H](NCC2(C#N)CCC2)C1 334927787 GSDONXZKWRTZHG-VXGBXAGGSA-N 206.333 2.849 30 20 BFED N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC2)cc1F 335677243 IYZIODODFKPRTA-NWDGAFQWSA-N 244.269 2.682 30 20 BFED C[C@H]1C[C@H](C)N(C(=O)Nc2cccc(C#N)c2)C1 335792734 PKJRGNOGSCCCFX-QWRGUYRKSA-N 243.310 2.820 30 20 BFED N#CC1(CSc2ccccn2)CCC1 336195123 LRSPYWRAMCIMTB-UHFFFAOYSA-N 204.298 2.868 30 20 BFED C=CCC[C@H](CCC)NCCC1CC(O)C1 336738402 OFBRTSYEUUEGHD-MOKVOYLWSA-N 225.376 2.872 30 20 BFED CC[C@H](C)C(=O)Nc1ccccc1CC#N 339168021 KVWPOUXPLMTKEH-JTQLQIEISA-N 216.284 2.737 30 20 BFED CC[C@@H](C)NC(=O)CSCCC(C)(C)C#N 342014329 ZZZDOHMUPBWWMY-SNVBAGLBSA-N 242.388 2.574 30 20 BFED C=CCCN(C)C[C@@H](C)CC1CCOCC1 343471973 PXUNDJTVJMTRHZ-ZDUSSCGKSA-N 225.376 2.947 30 20 BFED C=CCCC(=O)N[C@@H](C)c1ccc(Cl)cn1 348462637 MEBHOLSZGRFYEH-VIFPVBQESA-N 238.718 2.878 30 20 BFED C=CCN(C(=O)CC[C@@H]1CC[C@H](C)O1)C1CC1 357484079 BMCIGROQBFPGDF-AAEUAGOBSA-N 237.343 2.511 30 20 BFED CC#CCCNC(=O)N[C@H](C)C[C@H](C)CC 361470732 VIAMJQIISVGNQX-VXGBXAGGSA-N 224.348 2.524 30 20 BFED C=CCOCC(=O)N1CCC[C@](C)(CCC)C1 362494183 GTNPHPBIGYRYFJ-AWEZNQCLSA-N 239.359 2.618 30 20 BFED C=CCNN=Cc1cscc1Cl 379338686 NECFZPWHGRUCIE-UHFFFAOYSA-N 200.694 2.511 30 20 BFED C#C[C@H](Nc1snc(Cl)c1C#N)C(C)C 380084612 HFCZOLZGLLHCTF-QMMMGPOBSA-N 239.731 2.738 30 20 BFED C=C[C@H](COC)NC[C@H]1CCCC[C@@H]1C 380166711 FAYFRDUUZVZMRT-YNEHKIRRSA-N 211.349 2.603 30 20 BFED C#C[C@](C)(CC)NC(=O)c1cccc(C)c1C 384227539 VTFYRMPHWSOEIV-OAHLLOKOSA-N 229.323 2.835 30 20 BFED C=C(C)COCCN[C@@H]1CCCC12CCC2 394859917 KYUOGVIYHXIHGJ-CYBMUJFWSA-N 223.360 2.892 30 20 BFED CSC[C@H]1CCCN(c2ccncc2C#N)C1 399513279 OAWTUPYNLQRNGN-NSHDSACASA-N 247.367 2.533 30 20 BFED CC(C)N(CCC#N)C(=O)CC(C)(C)C1CC1 405763426 JYCMUVAFQCKJKL-UHFFFAOYSA-N 236.359 2.963 30 20 BFED C=C(CC)CN[C@@H](C)[C@@](C)(OC)C1CC1 411975791 VOMCQYLBSOBCNL-WCQYABFASA-N 211.349 2.746 30 20 BFED C=CC[C@H](CC)NC(=O)c1cc2cccnc2[nH]1 412320560 WJMWAZSZWLFHFU-NSHDSACASA-N 243.310 2.647 30 20 BFED CC#CCN(C)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 412375121 YOHHXUUKSZEGSL-ZBFHGGJFSA-N 241.334 2.662 30 20 BFED C=CCC1(CNCc2cc(C)nn2C)CCCC1 418111037 GFDLVORJLBNNKV-UHFFFAOYSA-N 247.386 2.955 30 20 BFED N#C[C@@H]1CC[C@H](N[C@H](C2CCC2)C2CC2)C1 424332867 TXFPYOIWUPVJQR-DDTOSNHZSA-N 218.344 2.847 30 20 BFED CC/C=C\CNc1c(C#N)cccc1[N+](=O)[O-] 425266408 HUUNRACMAXRMBL-ARJAWSKDSA-N 231.255 2.845 30 20 BFED C=C[C@@H](C)N[C@@H](C)CCc1ccc(OC)c(O)c1 426166901 QYPZAJVTKUNGKT-NEPJUHHUSA-N 249.354 2.886 30 20 BFED CCCc1csc(CN(C)C[C@@H](C)C#N)n1 426394419 JRQVJNYLHFNFHJ-JTQLQIEISA-N 237.372 2.687 30 20 BFED C=CCCCCCN(C)C1(CO)CCC1 429278007 ZUYOZCXFFGUQNH-UHFFFAOYSA-N 211.349 2.580 30 20 BFED C=C[C@H](C)NC(=O)[C@H](c1cccnc1)C(C)C 436166733 DJGXPQDPMSDBKM-AAEUAGOBSA-N 232.327 2.512 30 20 BFED CC#CCCNCc1ccnn1C1CCCC1 449228462 UJHBRPPXLDJGIX-UHFFFAOYSA-N 231.343 2.501 30 20 BFED CCO[C@@H]1CCC[C@H]1NCc1cccc(C#N)c1 449753071 FHCSJWPZEUFWPN-HUUCEWRRSA-N 244.338 2.605 30 20 BFED C=C(C)CN(CC)CC1CC(F)(F)C1 450242306 IZQXKTMSXZTKHQ-UHFFFAOYSA-N 203.276 2.930 30 20 BFED C=C(CC)CNC(=O)NCC1(CC)CCC1 454627169 WXBSIYWUWYSMHU-UHFFFAOYSA-N 224.348 2.832 30 20 BFED C=CC(C)(C)CNC(=O)N1CCC[C@@H]1C(F)F 455376059 AMRLXUIPIYSGAF-SECBINFHSA-N 246.301 2.638 30 20 BFED CC#CCN(C)C(=O)NCCC1CCCCC1 457735245 NKGAPPHWAOYMBH-UHFFFAOYSA-N 236.359 2.622 30 20 BFED C=CCCCC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 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206.289 2.513 30 20 BFED C[C@H](CCC(=O)OCC#N)c1ccccc1 750108801 WLWJEJNVCWZTPD-LLVKDONJSA-N 217.268 2.637 30 20 BFED CCCCCC(C)(C)C(=O)N(CC)CC#N 753214158 ZGHZOGRSPMTOAP-UHFFFAOYSA-N 224.348 2.965 30 20 BFED C[C@@H](Cc1cccc(Cl)c1)C(=O)OCC#N 756344640 LTNBTTHMLWQFGP-VIFPVBQESA-N 237.686 2.585 30 20 BFED CC[C@H](C)COC(=O)c1ccccc1CC#N 756358271 KBOFZSPOBTWQCO-NSHDSACASA-N 231.295 2.956 30 20 BFED CC(=O)c1ccccc1C(=O)OCCCCC#N 757498699 VFYZCUXQLJTSBC-UHFFFAOYSA-N 245.278 2.740 30 20 BFED C[C@H]1C[C@H]1C=NN=c1cc[nH]c2ccccc12 758370576 OPBLUAGEEIWINS-QWRGUYRKSA-N 225.295 2.710 30 20 BFED CC1(CC(=O)OCc2cccc(C#N)c2)CC1 758837814 OPAMOTZJTSBJKX-UHFFFAOYSA-N 229.279 2.792 30 20 BFED CCc1ccc(C=NNc2ccc(F)cn2)o1 760253974 YRTVBXZHPCVYRB-UHFFFAOYSA-N 233.246 2.822 30 20 BFED C#C[C@H](C)N(C)c1ccnc2c(F)cccc12 767439192 DGMVMYGBGNRAND-JTQLQIEISA-N 228.270 2.832 30 20 BFED C[C@H](C#N)OC(=O)c1ccc(F)c(Cl)c1 768088888 YLLBZDYDJYAUFI-ZCFIWIBFSA-N 227.622 2.548 30 20 BFED CC(=NNC1CC1)c1csc(C(C)C)n1 768781828 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C#CCN(CC#CC)C(=O)[C@@H]1CCCC[C@H]1CC 793574726 DOTXWOVZQGDNFD-HUUCEWRRSA-N 245.366 2.688 30 20 BFED N#CCC[C@H](NCc1cnc[nH]1)c1ccccc1 796449619 JTUHWICWWKFRMS-AWEZNQCLSA-N 240.310 2.544 30 20 BFED CSCCON=C1CCCc2cccnc21 799114237 WGUHZXRZFOUVNT-UHFFFAOYSA-N 236.340 2.502 30 20 BFED CC(=O)CCC(=O)OCCCCC(C)(C)C#N 800093526 PSADOZHRGUAPLV-UHFFFAOYSA-N 239.315 2.619 30 20 BFED C(=NNC[C@H]1CCSC1)C1CCCCC1 811659802 YZSZEYRFAHYNST-GFCCVEGCSA-N 226.389 2.895 30 20 BFED Fc1cccc(C=NNC[C@H]2CCSC2)c1 811660957 WXLWWNQFDHYIEO-LLVKDONJSA-N 238.331 2.502 30 20 BFED CN(Cc1cnc(Cl)s1)CC(C)(C)C#N 814670528 XEQHBGZYAHBGOP-UHFFFAOYSA-N 243.763 2.778 30 20 BFED O=C(O)c1ccc(NN=C2CC[C@H]2C2CC2)cc1 814680653 BRGBOKMENKOOET-LBPRGKRZSA-N 244.294 2.973 30 20 BFED CSC(C)(C)CC=NNCC(F)(F)F 814904587 QBQRAOPQUJSUSN-UHFFFAOYSA-N 228.283 2.656 30 20 BFED CCC(CC)CNN=Cc1nccs1 814906539 ZEGRACBSHXJVGQ-UHFFFAOYSA-N 211.334 2.503 30 20 BFED C=CCOCCOC(=O)C(F)=C1CCCC1 815221134 XCSUMOQPQJTMDK-UHFFFAOYSA-N 228.263 2.530 30 20 BFED C[C@]1(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)CC1(F)F 817456339 ZYEBLBXRFDQZLI-FXPVBKGRSA-N 243.253 2.657 30 20 BFED CCC[C@@H](C)N(C)C(=O)C#Cc1cccs1 825010890 APBOCENUIVBDJS-LLVKDONJSA-N 235.352 2.747 30 20 BFED C#Cc1cnc(N[C@@H]2CCC[C@H](C)CC2)nc1 828000663 WNGZBLXMKAZTOR-WCQYABFASA-N 229.327 2.839 30 20 BFED C=C(Cl)CN1CCC[C@H]1[C@@H]1CCCOC1 828882623 AIMRGRIVQYAARK-NEPJUHHUSA-N 229.751 2.630 30 20 BFED C=C[C@H](CC)CC(=O)N1CCC[C@H](CF)C1 829200661 WDFRUWPAISYIFG-VXGBXAGGSA-N 227.323 2.797 30 20 BFED C#CCCOC(=O)C1(c2ccc(C)cc2)CCC1 830329837 IZIHOONRHIHLRJ-UHFFFAOYSA-N 242.318 2.983 30 20 BFED C[C@@H](NN=C[C@@H]1C[C@H]2CC[C@H]1C2)C(F)(F)F 834997690 ICMHRIXCOLMAEA-KATARQTJSA-N 234.265 2.949 30 20 BFED CC(=NOC(C)C)c1ccc(C)cc1O 835004734 XNGNMCVMKDYQEA-UHFFFAOYSA-N 207.273 2.850 30 20 BFED Cc1ccc(CNN=C2CCO[C@H](C)C2)cc1 835009307 UDQKBEAFGZJVAA-GFCCVEGCSA-N 232.327 2.640 30 20 BFED C#CCCCOC(=O)Cc1cc(C)ccc1F 835087091 GOVOPQCSQNFUPP-UHFFFAOYSA-N 234.270 2.633 30 20 BFED C#CCSCCOC(=O)[C@]1(C)CC=CCC1 835438293 ZITQQQMTHGAJCO-CYBMUJFWSA-N 238.352 2.642 30 20 BFED C#CCCCCNC(=O)N[C@H]1C[C@]1(C)C(C)C 838513845 LCGZUHQMFNRALC-GXTWGEPZSA-N 236.359 2.524 30 20 BFED CC/C(C)=C\C(=O)N(C1CC1)C1(C#N)CCC1 839331043 JOPZAGDFRXWASZ-LUAWRHEFSA-N 232.327 2.780 30 20 BFED C=CCCC[C@H](C)Nc1cc2nnc(C)n2cn1 840283461 YCDJGTLFKXNXRH-JTQLQIEISA-N 245.330 2.589 30 20 BFED CC[C@@H](C#N)OC(=O)Cc1cccc(C2CC2)c1 840612690 ITAYHXLREOULFE-AWEZNQCLSA-N 243.306 2.952 30 20 BFED CC(C)C[C@@H]1C[C@H]1/N=C\c1ccc(O)c(O)c1O 840709934 GMQRKBYNJIYDBT-RQFZQORDSA-N 249.310 2.657 30 20 BFED N#CCOc1cccc(OCCC2CC2)c1 842110719 QCEVDLBCBPTRIK-UHFFFAOYSA-N 217.268 2.768 30 20 BFED CCCON=C(C)c1cc(N)ccc1F 842550333 DOSLPLSSRUMBAF-UHFFFAOYSA-N 210.252 2.559 30 20 BFED C=C[C@H](C)ONC(=O)N[C@H](C)c1ccccc1C 844283758 FWSMHHHPWYSBQL-NWDGAFQWSA-N 248.326 2.861 30 20 BFED C=C[C@@H](C)ON=C(COC)Cc1ccccc1 844620204 HWBKMLGSRMPMKB-GFCCVEGCSA-N 233.311 2.823 30 20 BFED C#CCC[C@H](C)OC(=O)CC1(CSC)CC1 845603160 PJECWEBWMLPDJV-NSHDSACASA-N 240.368 2.865 30 20 BFED C=C(C)CONC(=O)N[C@@H](C)CCC=C(C)C 845610532 KCHPOUFMPICJMC-LBPRGKRZSA-N 240.347 2.928 30 20 BFED O=[N+]([O-])c1cccc2c1CCC2=NOC1CCC1 848410756 RRELQTDFKZLXJY-UHFFFAOYSA-N 246.266 2.814 30 20 BFED C#C[C@H](C)OC(=O)CC[C@@H]1CC1(Cl)Cl 850857378 UVOMKUMUARSDAO-JGVFFNPUSA-N 235.110 2.525 30 20 BFED C#CCCCCNC(=O)NCCCC1CCC1 852201570 HSOUSXKSPVWUFF-UHFFFAOYSA-N 236.359 2.669 30 20 BFED CC[C@@H](C)NN=Cc1cc2ccccc2n1C 853337966 YTNPMELQWMPZMH-LLVKDONJSA-N 229.327 2.900 30 20 BFED C#CCCCn1cc(NC(=O)OC(C)(C)C)cn1 853738048 ROKQHQUFLCNYMJ-UHFFFAOYSA-N 249.314 2.644 30 20 BFED CCCCC=NNc1ncc(Cl)cn1 857220932 QPWCDFSQTYAHQF-UHFFFAOYSA-N 212.684 2.718 30 20 BFED CC[C@H](C#N)N(C)C(=O)/C=C(/C)c1cccs1 857633036 QGAHVUGYMMFJGQ-HIJJYWJESA-N 248.351 2.912 30 20 BFED C=CCCCCOC(=O)c1nn(C)cc1Cl 860016499 LYTCVFKMYBNQIA-UHFFFAOYSA-N 242.706 2.587 30 20 BFED C=CCC[C@H](C)OC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 860140209 ZCRUQCYQZQOHSR-PPCPHDFISA-N 240.343 2.944 30 20 BFED C#C[C@H](OC(=O)C1=COCC1)c1ccc(C)cc1 860964293 MAKQAEYBVPGMIF-AWEZNQCLSA-N 242.274 2.517 30 20 BFED Fc1cccnc1NN=Cc1cnc(C2CC2)o1 863112162 PNEAKAFLMKPMCM-UHFFFAOYSA-N 246.245 2.532 30 20 BFED COc1ccnc(C(C)=NOC/C=C/Cl)c1 863112604 MIICQNOYLULFFH-CVKONFARSA-N 240.690 2.583 30 20 BFED Cn1nccc1-c1ccc(C2(C#N)CC2)cc1 871884680 FSSVXGDGWQHUDF-UHFFFAOYSA-N 223.279 2.642 30 20 BFED C=C(Cl)COC(=O)C1(C)CC(F)(F)C1 873439326 CYEVGAVITBPFGO-UHFFFAOYSA-N 224.634 2.718 30 20 BFED C=C1CCC(C(=O)OC[C@H]2CCO[C@H]2C)CC1 885650071 UJEBQFPOLMPCOT-WCQYABFASA-N 238.327 2.701 30 20 BFED CCCCCCC(=O)Nc1c(C#N)c(C)nn1C 892627146 HRSFQCYFJJXWDE-UHFFFAOYSA-N 248.330 2.509 30 20 BFED Cc1cc(C#N)nc(N[C@H]2CCC(F)(F)C2)c1 892938918 TYKCMRVOPDUOSS-VIFPVBQESA-N 237.253 2.861 30 20 BFED C#Cc1ccc(N[C@@H]2CS[C@@H](C)C2)cc1 898500165 XNTMFMZMAQAYEC-GWCFXTLKSA-N 217.337 2.974 30 20 BFED C=CCC[C@H](C)NC1CCC(C(=O)OC)CC1 898610617 DMMKOZHSWRDWTP-HIFPTAJRSA-N 239.359 2.663 30 20 BFED C=C1CCC(C(=O)N2CC[C@@H]3C[C@H]3C2)CC1 898976682 YIKIUQHFJFDEBN-OLZOCXBDSA-N 219.328 2.601 30 20 BFED C=CCCCCCN(C)C(=O)[C@H](C)[C@@H](O)CC 900796107 VHMAXLYZLOFFLB-OLZOCXBDSA-N 241.375 2.598 30 20 BFED C=C[C@H](CC)CC(=O)NCc1cccc(OC)c1 929268592 FMCNRLAKDIBIEM-GFCCVEGCSA-N 247.338 2.914 30 20 BFED CCCN(Cc1ccc(C#N)cc1)[C@@H](CC)CO 929268618 GFCFERCTLQEGSC-HNNXBMFYSA-N 246.354 2.541 30 20 BFED C=C[C@H](CC)CC(=O)NC1C[C@@H](C)O[C@H](C)C1 935185783 SANZAQMABIBVPB-IJLUTSLNSA-N 239.359 2.661 30 20 BFED C#CCN(CCCOc1ccccc1)CC1CC1 1116365813 BCSFDKMNXWNCQD-UHFFFAOYSA-N 243.350 2.801 30 20 BFED C#Cc1cnc(N[C@@H](C)c2cc(C)oc2C)nc1 1117795392 TXCMEEXRVCQQNN-JTQLQIEISA-N 241.294 2.841 30 20 BFED CCN(C(=O)C=C1CCCCC1)[C@H](C)C#N 1118736460 VQYAJVRAEPZPGN-LLVKDONJSA-N 220.316 2.637 30 20 BFED C=C(CC)C(=O)N1[C@H]2CC[C@H]1CC(C)C2 1123838484 TWTHYYJGBPBLOD-RYUDHWBXSA-N 207.317 2.742 30 20 BFED C=CCC[C@H](O)CN1CCC(CCC)CC1 1252598209 LGPJASMJRLGRLR-AWEZNQCLSA-N 225.376 2.826 30 20 BFED CCCc1cccc(C=NNc2ccn(C)n2)c1 1320696286 MEKZOOSJBJTQET-UHFFFAOYSA-N 242.326 2.819 30 20 BFED C=CC[C@@H](CC)NC(=O)c1cnc(C(C)C)[nH]1 1321332919 UNAYMSIDNZJSPK-SNVBAGLBSA-N 235.331 2.618 30 20 BFED C#CCCCNC(=O)/C(F)=C\C1CCCCC1 1324472169 VWKSALUCSGOCIC-ACCUITESSA-N 237.318 2.950 30 20 BFED C=C[C@@H](CCC(=O)O)NC/C=C/c1ccccc1 1332013863 QZRTXVCZJSXSIN-MRZGDXHCSA-N 245.322 2.709 30 20 BFED C=C(C)CCC(=O)N[C@@H](C)CCSCC 1336389677 USLDHCCCRYNSSB-NSHDSACASA-N 229.389 2.991 30 20 BFED N#Cc1ccc(N[C@H]2CCC[C@@H](F)C2)c(CO)c1 1336807947 PLZXNRBFFSGEIY-OLZOCXBDSA-N 248.301 2.743 30 20 BFED C=C(C)CCC(=O)NCc1cnc(C)cc1C 1337303890 SGTDUTVCDPYYPK-UHFFFAOYSA-N 232.327 2.671 30 20 BFED C=CCn1c(C(CC)CC)nnc1N1CCCC1 1340698665 YBNJIPQMGXHFBX-UHFFFAOYSA-N 248.374 2.968 30 20 BFED C#CCN(CCCCOC(C)(C)C)CC1CC1 1343510947 SGSMBFROSVHBOP-UHFFFAOYSA-N 237.387 2.927 30 20 BFED CC(C)=CC(=O)O[C@H](C)CC#Cc1cccnc1 1343720321 JEMYPXORMVYKDR-CYBMUJFWSA-N 243.306 2.721 30 20 BFED C=C(C)CCC(=O)OCc1cccc(C#N)c1 1343972677 MYDCDIVZZVGZQO-UHFFFAOYSA-N 229.279 2.958 30 20 BFED N#CCc1cccc(NC[C@@H]2C[C@H]2C2CCC2)n1 1345640679 DAOHSJPDBGJDFD-JSGCOSHPSA-N 241.338 2.996 30 20 BFED Cc1ccc([C@@H](C)C=Nn2nnc(C)c2C)cc1 1349830203 WDRXEVIXXKADJM-NSHDSACASA-N 242.326 2.841 30 20 BFED C=CCN(C(=O)c1cnn(CCC)c1C)C(C)C 1353565492 OKDKIXWSUBARMR-UHFFFAOYSA-N 249.358 2.638 30 20 BFED CC(C)[C@@H]1CCCCCN1CCO[C@@H](C)C#N 1473319460 UPCCNSKJWOXNFB-KBPBESRZSA-N 238.375 2.816 30 20 BFED C=CCC(CC=C)C(=O)N(CC)[C@@H](C#N)CC 1518546371 APFMOTRUCSCXHA-CYBMUJFWSA-N 234.343 2.905 30 20 BFED C=CCCCNC(=O)c1nc(C2CC2)cs1 1521548525 ASVCBXKEZJOLBC-UHFFFAOYSA-N 236.340 2.717 30 20 BFED C=C(C)CCn1nc(C)c([C@@H](C)C(=O)O)c1C 1588561507 HEYFSUBOALHWIO-SECBINFHSA-N 236.315 2.654 30 20 BFED C=CCCCCN[C@](C)(CC)CC(=O)O 1602869996 GXYXCACBRHFGKI-GFCCVEGCSA-N 213.321 2.576 30 20 BFED C=CCS[C@H](Cc1ccc(C)cc1)C(=O)O 1609461704 JOFWQZXDDHDAPF-GFCCVEGCSA-N 236.336 2.910 30 20 BFED C=C(C)CON=C1CCc2cccc(C(=O)O)c21 1776090597 QJFZXHCDEJPAOB-UHFFFAOYSA-N 245.278 2.628 30 20 BFED Cc1nc(-c2ccccc2F)nc(C#N)c1C 1898208423 XRLJXZYOBBBPJF-UHFFFAOYSA-N 227.242 2.771 30 20 BFED CC[C@@H]1CCCN1CCOc1ccccc1C#N 37913782 PRFYTNZHZNTUCL-CQSZACIVSA-N 244.338 2.811 30 20 BFED C[C@H](C#N)CN(C)C(=O)CCC1CCCCC1 42460323 PYMWXUAMFHIVFO-GFCCVEGCSA-N 236.359 2.965 30 20 BFED C=C(C)CN(CC)C(=O)c1cccc2[nH]ncc12 49033196 LUPGGMDLBHNEJG-UHFFFAOYSA-N 243.310 2.601 30 20 BFED C[C@@H](C#N)CN(C)C(=O)c1ccc(Cl)s1 49832699 XUKFUDBIFPWTNA-ZETCQYMHSA-N 242.731 2.633 30 20 BFED CC[C@H](NC(=O)c1sccc1C#N)C(C)C 52032913 RLJFOYKKKBJQMQ-JTQLQIEISA-N 236.340 2.784 30 20 BFED N#CCCCNC(=O)c1cc2ccccc2s1 54137799 JCACPKPZQCBHDM-UHFFFAOYSA-N 244.319 2.935 30 20 BFED Cc1ccc(C)c(N(C)C(=O)CSCC#N)c1 55895926 OIVGVQAGJGDLOW-UHFFFAOYSA-N 248.351 2.523 30 20 BFED C[C@@H]1C[C@@H](Nc2cccc(OCC#N)c2)CCO1 70353124 JRZMKWWRAHVSDP-YPMHNXCESA-N 246.310 2.568 30 20 BFED CC[C@H](Nc1ccc(C#N)cn1)c1ccncc1 78306382 HYSPCZVNZFHPED-ZDUSSCGKSA-N 238.294 2.911 30 20 BFED C[C@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)cs1 84060066 AUKXVMGIIIORKP-ONGXEEELSA-N 248.351 2.928 30 20 BFED C=CCNc1cccc(NC(=O)C(C)C)c1 89103945 XLFGNMMQCFMNPA-UHFFFAOYSA-N 218.300 2.879 30 20 BFED C=CC1CCN(Cc2cccc3cn[nH]c23)CC1 93359218 OANPJOICIGFTLW-UHFFFAOYSA-N 241.338 2.961 30 20 BFED C=CC[C@H](C)NC(=O)Nc1cccc(C#N)c1 116931833 LOCICXCAPXOPKQ-JTQLQIEISA-N 229.283 2.644 30 20 BFED C=CCCS(=O)(=O)N[C@@H](C)CCC(C)(C)C 120741829 WHDAEUVLGRNKET-NSHDSACASA-N 247.404 2.697 30 20 BFED C=C(C)CNC(=O)c1cccc2cccnc12 123097355 VGOITBGHHDHYQN-UHFFFAOYSA-N 226.279 2.541 30 20 BFED COCc1ccc(CNc2ccc(C#N)cc2)o1 123949520 YFBQZENTHQOPKM-UHFFFAOYSA-N 242.278 2.910 30 20 BFED CC#CCCNCc1ccc(CC)s1 125496234 WKKROPAOVJXWTJ-UHFFFAOYSA-N 207.342 2.814 30 20 BFED C#CCSCCN[C@@H]1CCc2ccccc21 129982208 FCMMVZVCJHBXKZ-CQSZACIVSA-N 231.364 2.630 30 20 BFED CCCN(CC)Cc1cc(C#N)ccc1OC 130397180 BYWRHSLBNVONAQ-UHFFFAOYSA-N 232.327 2.799 30 20 BFED C=C[C@H](C)N[C@@H](C)Cc1ccc(OC)c(OC)c1 132678771 WGUJZPYOCBRNLC-RYUDHWBXSA-N 249.354 2.799 30 20 BFED 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N#CC1(CN2CCC[C@H]2c2ccncc2)CCC1 334797203 GPIITJRPWPGYBI-AWEZNQCLSA-N 241.338 2.912 30 20 BFED C[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 335785481 MUDRMXXXVWCQJS-JTQLQIEISA-N 218.275 2.539 30 20 BFED C[C@H]1CCCCN1C(=O)c1cscc1C#N 336140035 KMPXFOUBPCWSMX-VIFPVBQESA-N 234.324 2.634 30 20 BFED Cc1sccc1C(=O)N(C)CC(C)(C)C#N 336292892 RSHAIZPYXCGLMJ-UHFFFAOYSA-N 236.340 2.678 30 20 BFED C=C(C)CSC[C@@H]1CCC[C@H](O)C1 336642960 DJXWQWROUDKYEK-MNOVXSKESA-N 200.347 2.847 30 20 BFED C=CCC[C@H](O)CN[C@H]1CCC[C@H]1SCC 336727352 CPMVIHUBGSYTGI-RWMBFGLXSA-N 243.416 2.577 30 20 BFED CC(C)C1(CN[C@@H]2CC[C@H](C#N)C2)CC1 336758070 KJRLEDNTPVBSEN-NWDGAFQWSA-N 206.333 2.704 30 20 BFED Cc1c(C#N)cccc1C(=O)N[C@@H]1CCC[C@@H]1C 337853641 GRJZDDNDANQZPE-IINYFYTJSA-N 242.322 2.785 30 20 BFED CC(C)[C@@H](C)CC(=O)N(C[C@H](C)C#N)C1CC1 338304945 QIGHZXCTNIVXJH-NEPJUHHUSA-N 236.359 2.819 30 20 BFED N#C[C@@H]1CC[C@H](N2CCC[C@H](OCC3CC3)C2)C1 339093900 OBPXPOVRBPAVEL-ILXRZTDVSA-N 248.370 2.570 30 20 BFED C=C[C@@H]1CCCCN1CCC1(OC)CCC1 339133101 NICCOJBBVOQOEZ-CYBMUJFWSA-N 223.360 2.986 30 20 BFED C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@H]1F 340817869 JPACVDPZDLUXGS-VXGBXAGGSA-N 225.307 2.762 30 20 BFED C=CCN(CC=C)c1ncnc2ccsc12 340926505 SSVVQMWMALTJRN-UHFFFAOYSA-N 231.324 2.870 30 20 BFED CCN(CC#N)C(=O)C[C@@H]1C[C@H]1c1ccccc1 341164033 WEUYKTNHOGGDTM-KBPBESRZSA-N 242.322 2.552 30 20 BFED CC#CCCCC(=O)N(C)C(C)(C)CC 341527750 GXNBKLFWGFVVCH-UHFFFAOYSA-N 209.333 2.827 30 20 BFED CC1(C)CCC(C(=O)NCCCC#N)CC1 342632183 MGSAWZFEBIDICA-UHFFFAOYSA-N 222.332 2.623 30 20 BFED C=CCNC(=O)Cc1csc2ccccc12 344067025 VCIJVRDQAKQRNR-UHFFFAOYSA-N 231.320 2.746 30 20 BFED C=CCCO[C@@H](C)C(=O)N[C@@H](C)CCC1CC1 346534648 PIOULIJGIXASMH-RYUDHWBXSA-N 239.359 2.663 30 20 BFED C=C1CCN(C(=O)CC[C@@H](C)CC)CC1 352635883 GCCQMKUPQKYJIZ-NSHDSACASA-N 209.333 2.991 30 20 BFED C=CCCCCCN(C)C(=O)[C@@](C)(O)C(C)C 353359521 VCHVXGYNSJOFSZ-AWEZNQCLSA-N 241.375 2.598 30 20 BFED C=C[C@H](C)NC(=O)c1ncsc1C(C)C 355041606 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247.338 2.880 30 20 BFED C=CCCCCNC(=O)C1CC(F)(F)C1 471718031 RRIXZLZTCDZKJZ-UHFFFAOYSA-N 217.259 2.504 30 20 BFED C#C[C@H](CC)NC(=O)c1ccc(C(C)C)nc1C 491181481 TVGPMALKFNBFPV-GFCCVEGCSA-N 244.338 2.655 30 20 BFED C#C[C@@H](CC)NC(=O)c1cc2cc(F)ccc2o1 491287082 KSRJQIXYIMHACD-NSHDSACASA-N 245.253 2.714 30 20 BFED C#C[C@@H](C)N(C)Cc1ccc(Cl)c(OC)c1 491473431 DFCMWZZHDGXMKF-SNVBAGLBSA-N 237.730 2.802 30 20 BFED C=CC(C)(C)CNC(=O)/C=C/c1ccc(C)nc1 493316523 HGGBJXUEWPCEDI-CMDGGOBGSA-N 244.338 2.732 30 20 BFED N#C[C@@]1(c2cccc(Cl)c2)CCCOC1 536949418 ASDKYANBJYLLHM-LBPRGKRZSA-N 221.687 2.912 30 20 BFED CC#CCCN1CCCc2cc(OC)ccc2C1 545904523 ZUXADVWJCJLBMP-UHFFFAOYSA-N 243.350 2.857 30 20 BFED Cc1cccc(CC(=O)N(C)CC(C)(C)C#N)c1 554556488 JKFNKUJUWPRMLT-UHFFFAOYSA-N 244.338 2.546 30 20 BFED C=CCCCCN1C[C@H](C)[S@@](=O)[C@@H](CC)C1 566896363 NWDGHDXJGWXACB-HEHGZKQESA-N 243.416 2.574 30 20 BFED COc1cc(CNC2(CF)CCC2)ccc1C#N 567853085 JHHYUCBYMPRJPW-UHFFFAOYSA-N 248.301 2.549 30 20 BFED N#CC1(CNCCc2cccc(Cl)c2)CC1 573210961 OJUQSFPJJIUKAE-UHFFFAOYSA-N 234.730 2.776 30 20 BFED CN(C(=O)CCCCCC#N)c1cccnc1 588927053 LIFSUOJADHFSAX-UHFFFAOYSA-N 231.299 2.518 30 20 BFED CC[C@H](C#N)C(=O)N1CCc2c(Cl)cccc21 593516578 FPHUWTSESZYZEL-SECBINFHSA-N 248.713 2.779 30 20 BFED N#CCCCn1cc(-c2cc(F)ccc2F)nn1 594650422 VCVHXOCSUZZTOR-UHFFFAOYSA-N 248.236 2.527 30 20 BFED C=CCN(CCCSCC#N)C(C)(C)C 595765863 PSALESYFHVTTHM-UHFFFAOYSA-N 226.389 2.920 30 20 BFED N#Cc1cnc(N[C@@]23CCC[C@H]2C3)c(Cl)c1 596316248 HYWWUOSGAAULAK-JOYOIKCWSA-N 233.702 2.961 30 20 BFED CCC1CN(C(=O)CC2(C#N)CCCCC2)C1 597757632 KLXHDYYZMQXKNP-UHFFFAOYSA-N 234.343 2.719 30 20 BFED CC1CC(CNC(=O)CCCCCC#N)C1 598778088 JEURLRYWQIJMBT-UHFFFAOYSA-N 222.332 2.623 30 20 BFED Cc1nc2c(NC(=O)C(C)(C)C#N)cccc2o1 601622618 JIAVZPCFWSLNHX-UHFFFAOYSA-N 243.266 2.625 30 20 BFED C=CCCCN(CCOC)C1CCCC1 605149955 VRYQKPMIKUIBBW-UHFFFAOYSA-N 211.349 2.844 30 20 BFED C=CCSCCNC(=O)[C@@H](C)C1CCCC1 610520767 LJOJSUGPQYPCJO-NSHDSACASA-N 241.400 2.848 30 20 BFED CO[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 611943275 AOWQPJRAMYUVMX-OAHLLOKOSA-N 244.338 2.559 30 20 BFED C=CC[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)C1 617779252 XQZBEFNWAYQAPV-SNVBAGLBSA-N 236.290 2.582 30 20 BFED C=CC[C@@H]1CCCN(C(=O)c2cnccc2C)C1 617782881 OHAUJCVNYMEHOC-CYBMUJFWSA-N 244.338 2.818 30 20 BFED C=CCCOCC(=O)NC[C@@H]1CCC[C@@H](C)C1 620208692 BPQONUVPJGEXRL-CHWSQXEVSA-N 239.359 2.522 30 20 BFED C=CCOCCCC(=O)Nc1cc(C)cc(O)c1 629631805 JVCPAKNAKMWUJH-UHFFFAOYSA-N 249.310 2.622 30 20 BFED C=CCCCNC(=O)c1ccc2ccn(C)c2c1 632797494 IRRYWWMLXOZCHH-UHFFFAOYSA-N 242.322 2.874 30 20 BFED C=CCC1(NC(=O)c2conc2C)CCCC1 633638659 PJEZEYPWIZKDHF-UHFFFAOYSA-N 234.299 2.602 30 20 BFED C=C(C)CCc1noc(-c2cc(CC)nn2C)n1 634569728 NVBMQEFEKFIPJY-UHFFFAOYSA-N 246.314 2.541 30 20 BFED C=C[C@@H]1CCCCN1C[C@@H]1CCCC[C@H]1O 649594698 MWBMQSMPZBITRY-BFHYXJOUSA-N 223.360 2.578 30 20 BFED C=CC(C)(C)C(=O)N1CCC[C@H](OC(C)C)C1 650324974 ZKKVUZLZMJSDNC-LBPRGKRZSA-N 239.359 2.615 30 20 BFED C=CCCN1Cc2cc(F)c(F)cc2C1 653831209 ZKIWOLAHYDMHQM-UHFFFAOYSA-N 209.239 2.857 30 20 BFED C=CCCNC(=O)N[C@@H]1CCC[C@H](CC)C1 660729572 WBCXCDFFOIILRJ-NWDGAFQWSA-N 224.348 2.831 30 20 BFED C=CCCOCC(=O)N1CCC[C@@H](CCC)C1 675110781 VYNKGLLMCNHPTC-CYBMUJFWSA-N 239.359 2.618 30 20 BFED COCC#CCN1CCCCC[C@H]1c1ccco1 677133432 VHFZDJGBILYSSP-AWEZNQCLSA-N 247.338 2.847 30 20 BFED C=CCCN(C)C(=O)c1ccc(C)cc1OC 682427164 GEKWEWVCHFPZEJ-UHFFFAOYSA-N 233.311 2.652 30 20 BFED C#CC1CCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1 692390125 NMBGMDIDDWEUBI-GXTWGEPZSA-N 233.355 2.685 30 20 BFED C#CCCCN(C)C1CCC(F)(F)CC1 699422868 QSEQJSDXYGGMID-UHFFFAOYSA-N 215.287 2.910 30 20 BFED CC[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(C#N)cc1 699426927 DEDWOFSLEAVIKC-NJZAAPMLSA-N 244.338 2.634 30 20 BFED C#CCN(CC1CC1)C(=O)c1cc(C)sc1C 700627188 IWFKJGQCYJYOJW-UHFFFAOYSA-N 247.363 2.850 30 20 BFED Cc1ccc(CS[C@H](C)C(=O)O)cc1C#N 701834486 QEBVSZFOKKYUHU-SECBINFHSA-N 235.308 2.573 30 20 BFED C=C(Cl)CN[C@H]1CCC[C@@H](OCC)C1 721263246 SXFPBIKVTNQMON-WDEREUQCSA-N 217.740 2.676 30 20 BFED Fc1ccc(NN=C/C=C\c2ccco2)nc1 731322090 XPCOYZUDBJCHSB-ORSVNFICSA-N 231.230 2.925 30 20 BFED N#Cc1ccc(C(=O)O[C@H]2C=CCCC2)cc1 733388032 NUYDCMXEFKGLLU-ZDUSSCGKSA-N 227.263 2.824 30 20 BFED CC(C)[C@@H](C)C(=O)OCc1ccccc1C#N 733577510 GFZDQHRXSDOQPD-LLVKDONJSA-N 231.295 2.894 30 20 BFED CC(C)N(C(=O)[C@@H](C)ON=C1CCC1)C(C)C 735490472 YFXNPTZUCRFALJ-LLVKDONJSA-N 240.347 2.577 30 20 BFED C=CCCCOC(=O)CC[C@H]1CCCCO1 735536468 PPHFCKPIYMPWBJ-GFCCVEGCSA-N 226.316 2.845 30 20 BFED C=CCCOC(=O)c1c(O)cccc1Cl 740239268 VGGPQFUPYZHPHK-UHFFFAOYSA-N 226.659 2.779 30 20 BFED CSCCCCC(=O)OCCCCC#N 740325385 PSXTYTGCZMEWKZ-UHFFFAOYSA-N 229.345 2.757 30 20 BFED CC(CCc1ccccc1)=NNCC(F)F 740618729 ZCJOGBOHWCIAEG-UHFFFAOYSA-N 226.270 2.850 30 20 BFED CCCCNN=Cc1nccc2ccccc12 740760682 IVPZINYJUBVTOD-UHFFFAOYSA-N 227.311 2.958 30 20 BFED CCCCCCCC(=O)N[C@@H]1CCSC1 742780737 DKDBFVBJVCPUAO-LLVKDONJSA-N 229.389 2.969 30 20 BFED C=CCOC(=O)[C@@H]1CCSc2ccccc21 744042655 ZDGDOKPUNULZMU-LLVKDONJSA-N 234.320 2.995 30 20 BFED C[C@H](CC(=O)OCC1(CC#N)CC1)C1CC1 744278312 WAORJXRHHRNCSV-SNVBAGLBSA-N 221.300 2.660 30 20 BFED CC(=NN=C1CCCCCC1)c1cnccn1 745204185 WMZVBWOXDRRIPB-UHFFFAOYSA-N 230.315 2.996 30 20 BFED C#CCCCNC(=O)CCCc1sccc1C 747902440 LCSPHBHFOUGYFS-UHFFFAOYSA-N 249.379 2.909 30 20 BFED C=CCCCC(=O)OCc1nccn1C(F)F 748239150 DBKYBXBWOWRMGN-UHFFFAOYSA-N 244.241 2.678 30 20 BFED C#CC(=O)NCC1(c2ccccc2)CCCCC1 753947025 NSSROALSLRHBFU-UHFFFAOYSA-N 241.334 2.638 30 20 BFED CCON=Cc1cc2ccccc2nc1OC 755628701 UBHLNDLYTNTMLE-UHFFFAOYSA-N 230.267 2.614 30 20 BFED CC(=NO[C@H]1CCCCO1)c1ccccc1O 755821596 NHRGLDMUGCAINY-ZDUSSCGKSA-N 235.283 2.659 30 20 BFED CC#CCCOC(=O)C[C@H](C)c1ccncc1 760288772 CLAXVGMQAVASHH-LBPRGKRZSA-N 231.295 2.532 30 20 BFED C#CCCc1noc([C@@H](C)Oc2ccccc2)n1 762000461 GGGZVCRLDXKZEP-LLVKDONJSA-N 242.278 2.775 30 20 BFED Cc1cc(C)nc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)n1 762411992 ZFORVCKUWAWASX-RWMBFGLXSA-N 244.342 2.927 30 20 BFED CC#CCCN1CCc2c(C)cccc2C1 764961546 FKBKFPNCBYCSFX-UHFFFAOYSA-N 213.324 2.767 30 20 BFED COCCON=Cc1ccc(C)c(Cl)c1 766455647 TUOHLARFULEGMP-UHFFFAOYSA-N 227.691 2.645 30 20 BFED CSc1cc(C(=O)O[C@@H](C)C#N)ccc1F 767043759 PNRBPWZPQBOAMF-ZETCQYMHSA-N 239.271 2.616 30 20 BFED C[C@@H]1CCC[C@@H](C=NNc2ncc(F)cn2)C1 768367896 SYOZXEMPZWAMPK-NXEZZACHSA-N 236.294 2.840 30 20 BFED C#CCN(CC)Cc1nccc2ccccc12 769111353 MORQYMDNIABSCE-UHFFFAOYSA-N 224.307 2.690 30 20 BFED C=CC[C@H](C)NC(=O)[C@H](F)c1ccccc1 769441081 DKAADOGAFOFPCA-CMPLNLGQSA-N 221.275 2.778 30 20 BFED C#CCCCCNC(=O)CCCC(F)(F)F 770753079 BRANBEUQUCUFGC-UHFFFAOYSA-N 235.249 2.639 30 20 BFED C[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)N1CCCCC1 774134991 QIYXYSXNASWBKC-RBSFLKMASA-N 249.402 2.533 30 20 BFED C1CCC(ON=C2CCCOCC2)CC1 777457358 QZGZWZUTFNGTBJ-UHFFFAOYSA-N 211.305 2.892 30 20 BFED Clc1ccnc(NN=Cc2cc[nH]c2)c1 777906664 ZMZVOXMZXSTYOD-UHFFFAOYSA-N 220.663 2.509 30 20 BFED COc1ccc(C=NNc2cccc(C)c2)cn1 780186477 JHRYWWAARXLHMP-UHFFFAOYSA-N 241.294 2.845 30 20 BFED CC(C)C(C)(C)CNC(=O)C#Cc1ccccc1 782902922 UULATWNZUONHNI-UHFFFAOYSA-N 243.350 2.837 30 20 BFED COc1ccc(C=NOCCC2CC2)c(OC)c1 783550437 MJJIHYUOYLRYLL-UHFFFAOYSA-N 249.310 2.854 30 20 BFED C[C@]1(C#N)CCCN(c2ccc([N+](=O)[O-])cc2)C1 784207204 CYELRBFGKGYGTR-CYBMUJFWSA-N 245.282 2.725 30 20 BFED C=C[C@](C)(CC)C(=O)OCCCCC#N 785754244 OVZOMJXMNRKXAV-GFCCVEGCSA-N 209.289 2.826 30 20 BFED CON=C1CCSc2ccc(OC)cc21 786036493 BNODEGVJXQOJLW-UHFFFAOYSA-N 223.297 2.542 30 20 BFED CCCON=C1CCOc2c(F)cccc21 788508481 HGEVZEZTVHRLOU-UHFFFAOYSA-N 223.247 2.739 30 20 BFED Cc1cc(O)nc(NN=C2CCC23CCCC3)n1 788693162 HGLBMVCCRAKLRD-UHFFFAOYSA-N 246.314 2.613 30 20 BFED CC(C)CON=CC1CCC2(CC1)OCCO2 788722367 RHXKSULOQKGYCP-UHFFFAOYSA-N 241.331 2.578 30 20 BFED CC[C@@H](C)CON=Cc1ccc(OC)cc1O 793163394 JPKRRQKROPYHBO-SNVBAGLBSA-N 237.299 2.797 30 20 BFED CSCCON=C1CCO[C@H](C(C)C)C1 794577628 XVQPXAPJXCUMBO-NSHDSACASA-N 231.361 2.557 30 20 BFED C=C(C)CCOC(=O)[C@@H]1Cc2ccc(F)cc21 796734055 LAKMJWACOLTTJS-CYBMUJFWSA-N 234.270 2.975 30 20 BFED C=CCC(C)(C)C(=O)OC[C@H]1CCO[C@@H]1C 797253230 QNNYGTUZCTYVEE-GHMZBOCLSA-N 226.316 2.557 30 20 BFED CCON=Cc1ccc(-c2cnn(C)c2)s1 800810130 LYTNVWMMSGTVJD-UHFFFAOYSA-N 235.312 2.519 30 20 BFED CC#CC(=O)N(CC1CCC1)c1ccccc1 801166787 MZRWITOEHDJKGD-UHFFFAOYSA-N 227.307 2.843 30 20 BFED C=C(C)COC(=O)c1cc(C#N)ccc1Cl 803832371 BMTDLVFXCWIUCC-UHFFFAOYSA-N 235.670 2.945 30 20 BFED C[C@@H](C#N)OCCS[C@H](C)c1cccnc1 808367114 AFPOHWJQEXDDML-WDEREUQCSA-N 236.340 2.804 30 20 BFED N#CCCCOC(=O)C1(F)CCCCC1 810650831 BKYSBTKURAESCU-UHFFFAOYSA-N 213.252 2.506 30 20 BFED Clc1ccc(NN=Cc2nccs2)cn1 814859681 ZYRBQFGTKIQWNZ-UHFFFAOYSA-N 238.703 2.638 30 20 BFED CO[C@@](C)(C=NN[C@H](C)C(C)(C)C)C1CC1 814937598 MAKPDIRMYDIYEC-MFKMUULPSA-N 226.364 2.812 30 20 BFED C[C@H](CNC[C@H](C#N)CCC#N)C(C)(C)C 819075500 LHLJJZIZAHEMDT-NEPJUHHUSA-N 221.348 2.702 30 20 BFED CC(C)C#CC(=O)N[C@@H](c1ccccc1)C1CC1 820223465 VMWOFGFPMDXQQT-INIZCTEOSA-N 241.334 2.913 30 20 BFED CC(C)C#CC(=O)NCCC1CCCCC1 821527961 JLIZJMIBMRSWSJ-UHFFFAOYSA-N 221.344 2.732 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](OC(C)C)C1 822363987 ARUGUUMKVSBOGW-RWMBFGLXSA-N 239.359 2.661 30 20 BFED C=C[C@H](C)ONC(=O)[C@H](C)c1ccccc1C 824033547 OLWKELCKXLCBND-NWDGAFQWSA-N 233.311 2.721 30 20 BFED C#C[C@@H](C)N(C)Cc1ccc(OCC)cc1C 825710584 UUCOIQCPZISDMG-CYBMUJFWSA-N 231.339 2.847 30 20 BFED C#CCCCNC(=O)c1ccsc1Cl 828994763 IIMYTMLYYBHICX-UHFFFAOYSA-N 227.716 2.545 30 20 BFED CC[C@@H](C)[C@@H](C=NNC1CCCC1)OC 834954286 VOYWSGXMIXNYEF-ZYHUDNBSSA-N 212.337 2.566 30 20 BFED CCC(C=NN[C@H]1CCOC1(C)C)CC 835014307 FQNVKUDPDWQZDX-NSHDSACASA-N 212.337 2.566 30 20 BFED C=C[C@@](C)(CC)COC(=O)c1cc2n(n1)CCC2 835335440 CCUOEUURBQQBKZ-AWEZNQCLSA-N 248.326 2.588 30 20 BFED C=CCCC(=O)OC[C@H](OC)[C@H](C)CC 835629583 YSORGBDHCAMFTF-MNOVXSKESA-N 214.305 2.557 30 20 BFED C#C[C@@H](NC(=O)C1=CC[C@H](C)CC1)C(C)(C)C 836786361 ALSGQQMEWRCDEJ-WCQYABFASA-N 233.355 2.897 30 20 BFED C=CCONC(=O)C[C@H](C)CC(C)(C)C 837044589 PHZPPSLSUJLNGY-JTQLQIEISA-N 213.321 2.683 30 20 BFED CCCC(C)(C)NC(=O)C#CC(C)(C)C 837375832 GONRKKJYFVEJPW-UHFFFAOYSA-N 209.333 2.731 30 20 BFED Cc1cc(C=NN[C@@H]2CCCCC2(C)C)n(C)n1 841635227 HLQNMOPLEQRBLK-CYBMUJFWSA-N 248.374 2.621 30 20 BFED CC(C)C1CCC(C=NN(C)[C@H](C)CO)CC1 842539883 CBSPBVDDYALLPF-IYXRBSQSSA-N 240.391 2.747 30 20 BFED CCCON=C1CCCC[C@@H]1CCCO 842551750 UIMQWUNTLNMMQZ-LLVKDONJSA-N 213.321 2.732 30 20 BFED C=C(C)CONC(=O)c1cc(C)c(F)cc1F 846538478 XQLRSUYKGPJKCF-UHFFFAOYSA-N 241.237 2.511 30 20 BFED C=C[C@H](C)ONC(=O)c1cc(C)c(C)s1 846545620 YBAJYESVGSYCIS-QMMMGPOBSA-N 225.313 2.601 30 20 BFED CC[C@@H](C#N)N(C)C(=O)C=C1CCC(C)CC1 847167197 GESQJTUYYJVNLT-YUZLPWPTSA-N 234.343 2.883 30 20 BFED C#CCCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] 848529136 KLNBMAKIBCAEGX-ZDUSSCGKSA-N 244.294 2.585 30 20 BFED C=CCC[C@@H](NCc1cnon1)c1ccccc1 851901294 CJLLHEJGNPKMIW-CQSZACIVSA-N 243.310 2.867 30 20 BFED C/C(=C/C(=O)N(C1CC1)[C@H](C)C#N)c1ccco1 855586469 PKQHRQYZIWTKLD-HIJJYWJESA-N 244.294 2.586 30 20 BFED C#CCCCNC(=O)NCCCCCCC 858112713 JBAJQANBUHLEJB-UHFFFAOYSA-N 224.348 2.669 30 20 BFED C#CCCOC(=O)N[C@@H](c1ccccn1)C(C)C 858996731 OXYIUICDAONTPD-CYBMUJFWSA-N 246.310 2.528 30 20 BFED C=CCCOC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 860190234 RKQWYVZJUPQJTM-GMXVVIOVSA-N 208.301 2.932 30 20 BFED C=CC(C)(C)COC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 860807158 SEQJJSGIGJKWQF-WYUUTHIRSA-N 240.343 2.801 30 20 BFED CON=Cc1csc(C(F)(F)F)c1 863079643 VEDUMADOKFTIEZ-UHFFFAOYSA-N 209.192 2.747 30 20 BFED C=C(C)C[C@H](NC[C@H]1CCCC[C@H]1C)C(=O)O 864529793 MIIDEYDITYYCCU-UPJWGTAASA-N 239.359 2.822 30 20 BFED C#C[C@@](C)(CC)NC(=O)c1sc(C)cc1C 868629946 PJORHCPXOFLKEJ-ZDUSSCGKSA-N 235.352 2.897 30 20 BFED CC[C@H]1CCCCC1=NNc1cc(C)nc(N)n1 872421047 WOJISRFZUZZLDD-JTQLQIEISA-N 247.346 2.735 30 20 BFED C[C@H](CCC#N)CNC(C)(C)C1CCOCC1 877483526 WYAKNTKOKKZQHL-GFCCVEGCSA-N 238.375 2.721 30 20 BFED C=CC(C)(C)CC(=O)N1CCS[C@@H](C)[C@H]1C 878891542 XGNZXGDYIYLLRO-MNOVXSKESA-N 241.400 2.941 30 20 BFED C=CC(C)(C)CC(=O)NCC(C)(C)CCOC 879474134 VQMBTQHFVDSDIR-UHFFFAOYSA-N 241.375 2.768 30 20 BFED C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](OC)C1CC1 880231583 SXXMUJATKJNIOO-GWCFXTLKSA-N 239.359 2.518 30 20 BFED C=CCCC(=O)COC(=O)c1c[nH]cc1C1CC1 885171492 LKTLTSRKSOEMEO-UHFFFAOYSA-N 247.294 2.584 30 20 BFED C#Cc1ccc(NC(=O)C#CC(C)(C)C)cc1 891313307 LUCCOKGGTOVGEA-UHFFFAOYSA-N 225.291 2.656 30 20 BFED CCC(CC)Nc1cc(C)cc(C#N)n1 891427228 SOORAPJALLOGJU-UHFFFAOYSA-N 203.289 2.862 30 20 BFED CO[C@H](CNc1cc(C)cc(C#N)n1)CC(C)C 894227256 RMGYCOTVRUBIRQ-ZDUSSCGKSA-N 247.342 2.735 30 20 BFED C=CCNC(=S)N1C[C@@H](C)c2ccccc21 916005530 GEZOCLUKNXOUGF-SNVBAGLBSA-N 232.352 2.671 30 20 BFED C#CCN(C(=O)NC[C@@H](C)C(C)(C)C)C(C)C 918925993 NHQKUHMYZXWOOV-GFCCVEGCSA-N 238.375 2.722 30 20 BFED C=CC[C@H](CC)NC(=O)c1cc2cnccc2[nH]1 935798623 HDATVLDTTDUNDV-NSHDSACASA-N 243.310 2.647 30 20 BFED C=C1CN(c2nc3cccc(C)c3o2)C1 1119287661 NLAHNLVSFFOYRE-UHFFFAOYSA-N 200.241 2.512 30 20 BFED C=C(C)CCC(=O)OCCc1cncs1 1123042440 XDORZZPXQZRNHK-UHFFFAOYSA-N 225.313 2.585 30 20 BFED CC(=NNCc1ccc(F)cc1)c1cc(C)on1 1322325517 HJTWKEGOXPHASU-UHFFFAOYSA-N 247.273 2.636 30 20 BFED C#C[C@@H](CCC)NC(=N)Nc1ccccc1C 1326940319 HWUPUNIJUOQPBT-LBPRGKRZSA-N 229.327 2.733 30 20 BFED C=CC[C@H](NCCC1CCCCC1)C(=O)O 1333125320 SPOMFQKSALZZDH-LBPRGKRZSA-N 225.332 2.576 30 20 BFED C=C(C)CCC(=O)N(C)[C@H](C)c1cccnc1 1338816187 NZFAQNVDSQEXRA-GFCCVEGCSA-N 232.327 2.957 30 20 BFED C=C(C)CCC(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 1338959801 HSXKRBYPWPHVGD-IGQOVBAYSA-N 233.355 2.847 30 20 BFED C#CCCCNC(=O)N1CCC[C@@H]1CCC=C 1343278405 NPBKKIZMJFPYOM-ZDUSSCGKSA-N 234.343 2.540 30 20 BFED CC(C)=CCCOC(=O)c1ccc(C#N)c(C)n1 1346724870 DVZHGUIUYYOXMF-UHFFFAOYSA-N 244.294 2.775 30 20 BFED N#C[C@@H](C(=O)CCF)c1nc(C2CC2)cs1 1525456861 CVCWNPIHVYNQIU-QMMMGPOBSA-N 238.287 2.556 30 20 BFED C=C(CC)C(=O)N1CC[C@@H]2CCCC[C@@H]21 1528510531 WLACDXWLOYVZBK-RYUDHWBXSA-N 207.317 2.744 30 20 BFED C=C[C@@H](Nc1ccc2sc(C)nc2c1)C(=O)O 1588702515 SHPHNHAUKFSDDQ-SECBINFHSA-N 248.307 2.656 30 20 BFED C=CC[C@@H](C(=O)O)N1CCC[C@H](CC(C)C)C1 1602834954 GSZQSPKEEYOAIB-OLZOCXBDSA-N 239.359 2.774 30 20 BFED C=C(C)CCCN1CCc2occc2[C@H]1C(=O)O 1776139043 OHCDNRIZUYJBBU-ZDUSSCGKSA-N 249.310 2.620 30 20 BFED C=CC[C@]1(C(=O)O)CCN(CC/C=C/CC)C1 1776160473 GTUPTHUVVFPIHM-GJBLVYBDSA-N 237.343 2.696 30 20 BFED N#Cc1ccc(NCCc2ccccc2)nc1 19422724 ORRSLYIKFJTOEC-UHFFFAOYSA-N 223.279 2.608 30 20 BFED N#Cc1ccccc1NC(=O)Cc1ccsc1 20252397 FEULLCKXXRXBOX-UHFFFAOYSA-N 242.303 2.801 30 20 BFED CCCN(CC#N)C(=O)c1cc2c(s1)CCC2 44373219 RPJWWLFYWWSNID-UHFFFAOYSA-N 248.351 2.613 30 20 BFED CC[C@H](CC#N)NC(=O)c1ccc2c(c1)CCC2 54177666 HEZQNROBZLSIRJ-CQSZACIVSA-N 242.322 2.597 30 20 BFED CCCN(C)C(=O)Nc1ccc(CC#N)cc1 58418076 FDAWGHCPJIBXQV-UHFFFAOYSA-N 231.299 2.626 30 20 BFED COCCCN(C)c1ccc(Cl)cc1C#N 62034202 GJWSAMJMOUWIST-UHFFFAOYSA-N 238.718 2.684 30 20 BFED CCC[C@H](C#N)NC(=O)[C@H](SCC)C(C)C 66645940 GPJREKWMYRUCHH-GHMZBOCLSA-N 242.388 2.573 30 20 BFED C[C@@H](CC#N)NCc1ccc(OC(F)F)cc1 68607893 QFGOZDBAMNOXGI-VIFPVBQESA-N 240.253 2.680 30 20 BFED CC[C@@H](C(=O)NCCCCC#N)c1ccccc1 70940522 AULRZXPFATXHRT-CQSZACIVSA-N 244.338 2.990 30 20 BFED CO[C@H](CNc1ccc(C#N)cc1F)C(C)C 75062553 NJCXSVRZQCCASG-CYBMUJFWSA-N 236.290 2.780 30 20 BFED CCC(C)(C)C(=O)NCc1cc(C#N)ccc1F 80776115 YFQWTLZTVGWCMI-UHFFFAOYSA-N 248.301 2.750 30 20 BFED N#Cc1cccc(Nc2ccc(F)cc2)n1 81616494 FDZMVUNNYWFYKT-UHFFFAOYSA-N 213.215 2.836 30 20 BFED Cc1nsc(N[C@@H]2CCC[C@H]2C)c1C#N 86254732 XUOOSFKQAFLGOG-GMSGAONNSA-N 221.329 2.924 30 20 BFED N#Cc1cccnc1NC[C@@H]1CCCCS1 87684923 OKJDAWJPZBJJMN-NSHDSACASA-N 233.340 2.651 30 20 BFED C=C(C)COc1c(C)cccc1C(=O)NCC 89508325 HCFOANVBZWMRIO-UHFFFAOYSA-N 233.311 2.700 30 20 BFED C[C@@H](NCc1cccc(OCC#N)c1)C1CCC1 89631303 BQPPBLRZYRDXSP-GFCCVEGCSA-N 244.338 2.867 30 20 BFED N#C[C@H](C(=O)[C@@H]1Cc2ccccc21)c1ccccn1 91440422 BEXFOUCRBCCTMI-KGLIPLIRSA-N 248.285 2.598 30 20 BFED C[C@@H](NCc1cc(C#N)cs1)c1cccnc1 93492153 SXWSIZWWLRCVNK-SNVBAGLBSA-N 243.335 2.866 30 20 BFED 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247.338 2.833 30 20 BFED C=CCN(C)C(=O)[C@H](C)c1c(F)cccc1F 161641401 JCMOYPKTLUXUMQ-SECBINFHSA-N 239.265 2.713 30 20 BFED C=C[C@H](C)NC(=O)Nc1cccc(C)c1C 164149188 TYMXGESQSMKIOY-JTQLQIEISA-N 218.300 2.999 30 20 BFED CS[C@@H]1CC[C@H](NCc2ccc(C#N)o2)C1 164879667 KBQMZQPOVKTCCP-JOYOIKCWSA-N 236.340 2.525 30 20 BFED C=CCCCCSC[C@H](C)C(=O)O 165635786 HPBIUBKWBAACLE-VIFPVBQESA-N 202.319 2.797 30 20 BFED C=C(C)CN(C)C(=O)Nc1ccc(C(C)=O)cc1 165886885 BRSRNDJCRSNVKX-UHFFFAOYSA-N 246.310 2.929 30 20 BFED CC[C@]1(C)C[C@@H]1C(=O)NC1(C#N)CCCCC1 177477305 VEQHOVGTYYIQPY-DGCLKSJQSA-N 234.343 2.765 30 20 BFED C=C(C)CN(C)C(=O)CSc1ccccc1 180392448 DQCFENHKTXALEN-UHFFFAOYSA-N 235.352 2.813 30 20 BFED C#CCCCCC(=O)OCc1cnc(C)s1 180613292 BVRDIEHESVAGRY-UHFFFAOYSA-N 237.324 2.688 30 20 BFED C=CCCC[C@@H](C)NC(=O)c1ccc(F)cn1 181302271 DCDDYCUKNABFAS-SNVBAGLBSA-N 236.290 2.695 30 20 BFED C[C@@H]1Cc2ccccc2CN1c1ncccc1C#N 184175309 WLGSAPGHNHJQGC-GFCCVEGCSA-N 249.317 2.904 30 20 BFED N#CCc1ccc(NCC2=CCCOC2)cc1 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20 BFED C#CCC(C)(C)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 248610153 FSRNIFSTRSMUNG-RFGFWPKPSA-N 247.382 2.977 30 20 BFED C#CCCCC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 248665700 MIASNLSDLXQWOK-ARILJUKYSA-N 245.366 2.731 30 20 BFED COCCON=Cc1cccc(Cl)c1Cl 255596570 HAFQJDXINMYUEL-UHFFFAOYSA-N 248.109 2.990 30 20 BFED Cc1ccc(C)c(CNCC2(C#N)CC2)c1 258900205 KYQFTICRNDOALJ-UHFFFAOYSA-N 214.312 2.697 30 20 BFED N#CC1(CNCc2ccccc2F)CCC1 259009888 XGFHKVVLVUDYCE-UHFFFAOYSA-N 218.275 2.609 30 20 BFED CC[C@@H]1CN(c2ccc(C#N)cc2)C[C@@H](C)O1 264788994 RZNSYRLSXBMDJV-BXUZGUMPSA-N 230.311 2.562 30 20 BFED CC1CCC(=CC(=O)N(C)C[C@H](C)C#N)CC1 265319393 RTNHWJFUIQZVQD-PIJUOVFKSA-N 234.343 2.741 30 20 BFED C=CC[C@H](C)NC(=O)Nc1scnc1CC 269531454 KFQMIZUFYJBTDR-QMMMGPOBSA-N 239.344 2.792 30 20 BFED C#CCCN(CC=C)CCc1ccccc1 270631144 QHRYCFUAWQSWPO-UHFFFAOYSA-N 213.324 2.740 30 20 BFED C=CCN(CCc1ccc([N+](=O)[O-])cc1)C1CC1 271392971 KDGBOQBSIZGVKN-UHFFFAOYSA-N 246.310 2.788 30 20 BFED C=CCCCCNC(=O)c1sc(C)nc1C 274650027 SNRLNKQMQSWIAW-UHFFFAOYSA-N 238.356 2.846 30 20 BFED C#CCN(C(=O)Nc1ccccc1C)C1CC1 274775491 UAKJJLYJJSKNDF-UHFFFAOYSA-N 228.295 2.625 30 20 BFED C=C(Cl)CNC(=O)N1CC[C@@H](C)[C@H]1CC 274816841 PPMAQOHQYMJSDJ-PSASIEDQSA-N 230.739 2.569 30 20 BFED C=CCN(CCc1ccco1)C[C@H]1CC[C@H](C)O1 276389934 ICAJFYKWGYRDLM-DZGCQCFKSA-N 249.354 2.878 30 20 BFED C=CCN(C)C(=O)c1ccc(OC)c(C2CC2)c1 278073885 ZWLMJUCVANKDQZ-UHFFFAOYSA-N 245.322 2.831 30 20 BFED CCc1c[nH]c(S[C@H]2CC[C@H](C#N)C2)n1 278511571 FDNQGEFVQHSKER-WPRPVWTQSA-N 221.329 2.756 30 20 BFED C=C(C)CN(Cc1ccccc1)C(=O)N(C)C 279974828 LDAHHWRVDCMPDB-UHFFFAOYSA-N 232.327 2.746 30 20 BFED C=CC[C@H](CC)NC(=O)NC1CCSCC1 281293824 SUUDYYILKOFTMD-JTQLQIEISA-N 242.388 2.536 30 20 BFED C#CCN(CC#N)CCCc1ccc(Cl)cc1 281512627 XLTRSCHOTGYDOV-UHFFFAOYSA-N 246.741 2.731 30 20 BFED C=CC[C@@H](CC)NC(=O)c1cccc2[nH]cnc12 281595500 CVCZRANKOXNQHM-SNVBAGLBSA-N 243.310 2.647 30 20 BFED CCc1occc1C(=O)N[C@H](C#N)C(C)(C)C 281775293 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233.315 2.738 30 20 BFED C[C@H]1C[C@@]1(C#N)C(=O)N(C)C1CCC(C)(C)CC1 334559649 BBPQBJHNZCNTDV-NHYWBVRUSA-N 248.370 2.963 30 20 BFED CC1(C)CC[C@@H]1NC(=O)[C@]1(C#N)CC12CCCC2 334632065 DDYQCVWIBAOLKZ-XHDPSFHLSA-N 246.354 2.765 30 20 BFED C[C@H]1CC(C)(C)CN1c1ccc(C#N)nc1 334713687 AGLQXCYRXBOBNQ-JTQLQIEISA-N 215.300 2.578 30 20 BFED CCc1c(C(=O)N[C@H](C)C#N)oc2ccccc12 335190935 HZKGNNOLXYMSRR-SECBINFHSA-N 242.278 2.637 30 20 BFED CCC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 335235123 IYGUAMXEKGEUNF-KBPBESRZSA-N 242.322 2.695 30 20 BFED C=C[C@@H]1CCCCN1C(=O)Nc1c(C)noc1C 335292601 GKRORRVEAUHVQU-LLVKDONJSA-N 249.314 2.864 30 20 BFED N#Cc1cc(F)c(NCC2(C#N)CCC2)c(F)c1 335624817 TVWSZKUYPBHAPE-UHFFFAOYSA-N 247.248 2.942 30 20 BFED N#CCC1CCN(c2ccc(C#N)cc2F)CC1 335828538 BWDUCIZYSCXGPG-UHFFFAOYSA-N 243.285 2.827 30 20 BFED N#CC1CCN(Cc2nc(C3CC3)cs2)CC1 335865564 ZGXADHRDPANVRI-UHFFFAOYSA-N 247.367 2.756 30 20 BFED N#CCCCN[C@H](c1ccccc1)C(F)F 336661851 CHFUBKJGWWQQRP-LLVKDONJSA-N 224.254 2.886 30 20 BFED 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30 20 BFED C=CCCCCN1CC[C@@H]2[C@@H](CCCN2C)C1 562697615 XBOZHAVANQHPJV-LSDHHAIUSA-N 236.403 2.759 30 20 BFED CC1(C#N)CN(Cc2cnc3ccccc3c2)C1 567026289 IHAOJSRROJZLCX-UHFFFAOYSA-N 237.306 2.580 30 20 BFED C=CCCSCc1nc(C2CC2)nn1C 569341204 JHUSRSWFXMNPKP-UHFFFAOYSA-N 223.345 2.502 30 20 BFED C=CCCCCCNC(=O)[C@]1(C)C[C@H]1F 570223392 UUGWMIWUMUNAMJ-ZYHUDNBSSA-N 213.296 2.597 30 20 BFED CC(C)(C)C[S@@](=O)CCC(C)(C)C#N 574543741 NDFIMNRJVFFDBB-AWEZNQCLSA-N 215.362 2.721 30 20 BFED Cc1ccccc1CCCN1CC(C)(C#N)C1 578285923 PTHIGMJDIDZYRF-UHFFFAOYSA-N 228.339 2.773 30 20 BFED N#Cc1cccc(NC(=O)CC2CCCCC2)n1 581372119 UWUGTUUXQGYDCN-UHFFFAOYSA-N 243.310 2.862 30 20 BFED C[C@@H](CCC#N)N1CC2(CCOCC2)C[C@@H]1C 592183008 GZPXCQGMVXOUJH-STQMWFEESA-N 236.359 2.570 30 20 BFED C=CCCSCCN=c1cc[nH]c(CC)c1 596412399 DVEFUKQIQHVPBO-UHFFFAOYSA-N 236.384 2.787 30 20 BFED CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCC(C)(C)C#N 596549744 IPPAPJFQDQPWBO-YOGCLGLASA-N 249.358 2.509 30 20 BFED CC(C)c1[nH]ccc1C(=O)N(C1CC1)[C@@H](C)C#N 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2.535 30 20 BFED C#C[C@H](CC)NC(=O)N1c2ccccc2C[C@@H]1C 854069242 QVIDVMFUCXTHBT-WCQYABFASA-N 242.322 2.559 30 20 BFED C#C[C@@](C)(CC)NC(=O)c1ccsc1C 854693708 AHFMCEVALUPXCA-LBPRGKRZSA-N 221.325 2.588 30 20 BFED C#CCCOC(=O)N[C@H](CCC)c1ccccn1 858946790 UJVHWCZNZAEWRC-CYBMUJFWSA-N 246.310 2.672 30 20 BFED CCCCCCCC(=O)OCc1nncs1 861367535 CROWOCVTTZIZPY-UHFFFAOYSA-N 242.344 2.942 30 20 BFED C#CC[C@@H](CCOC)N[C@@H](CC)CCC=C 862547620 KZUGOQHFMMMSEU-KBPBESRZSA-N 223.360 2.749 30 20 BFED COc1ccc(N[C@@H]2C[C@H](C)O[C@@H]2C)cc1C#N 865860887 YVQBTPMBJRYIKF-OPQQBVKSSA-N 246.310 2.545 30 20 BFED C#CCc1c(C)nn([C@@H](C)C2CC2)c1C 871948587 VBGHPQPPHYHLAM-JTQLQIEISA-N 202.301 2.647 30 20 BFED C=C1CCC(C(=O)OCC(F)(F)F)CC1 885653364 LVERAAWOZJUURB-UHFFFAOYSA-N 222.206 2.838 30 20 BFED C=C1CCC(C(=O)N(C)CCC2CC2)CC1 889653391 JNKHMAYQFSNTFT-UHFFFAOYSA-N 221.344 2.991 30 20 BFED C=CC1CCN(c2cc(C(F)F)ncn2)CC1 892459783 HANYFUHNJSVANL-UHFFFAOYSA-N 239.269 2.817 30 20 BFED Cc1cc(C#N)nc(N(C)[C@@H](C)C2(C)CC2)c1 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BFED C=C[C@@H](CC)CC(=O)OCC(C)(C)COC 1346159030 QDOGNWSWAUMNRB-NSHDSACASA-N 228.332 2.805 30 20 BFED C=CCc1ccccc1OC(=O)[C@H]1C[C@H]1F 1346176402 FEOHFGPUJWNJQX-WDEREUQCSA-N 220.243 2.679 30 20 BFED C=C[C@@H](CC)CC(=O)O[C@@H](COC)C1CC1 1347634850 HMZCMJWVPGDXJK-JQWIXIFHSA-N 226.316 2.557 30 20 BFED C#C[C@@H](Nc1ncnc2c1CCC2)c1ccccc1 1349076618 OLRJKYPJYVXGJM-CQSZACIVSA-N 249.317 2.752 30 20 BFED C=C[C@@H](C)OC(=O)Cc1ccc(OC)cc1C 1518235305 YUXABPNFWQGHMZ-LLVKDONJSA-N 234.295 2.664 30 20 BFED C=C(CC(C)C)C(=O)N[C@@H]1C[C@@H](OC)C1(C)C 1519785696 YAFXHXUGBCQCEC-VXGBXAGGSA-N 239.359 2.518 30 20 BFED C=C(CC)C(=O)N[C@H](C)c1ccc(F)cc1 1522426049 IQKCRBTTWWPGSI-SNVBAGLBSA-N 221.275 2.969 30 20 BFED C#CCCCCC(=O)O[C@@H](CC#N)c1ccco1 1526991780 GEOFSENTTUESKK-ZDUSSCGKSA-N 245.278 2.971 30 20 BFED C=C(CC(C)C)C(=O)NCc1ccc(C#N)cc1 1527603322 YCEDGYWBDYOSDZ-UHFFFAOYSA-N 242.322 2.777 30 20 BFED C=C(CC)C(=O)N[C@H](C)c1cc(OC)ccc1O 1528037322 MCKIFSBUGACCCO-SNVBAGLBSA-N 249.310 2.544 30 20 BFED 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20 BFED N#Cc1ccc(CNCc2ccccc2F)cc1 19950085 IIPQHRFECULQES-UHFFFAOYSA-N 240.281 2.987 30 20 BFED CCCN(CCC)C[C@H](O)c1ccc(C#N)cc1 34673987 MUBGZMHRTQPQQG-HNNXBMFYSA-N 246.354 2.714 30 20 BFED C[C@@H]1CCCN1Cc1cccc(C#N)c1 37910733 FJYHCBQSBISWGR-LLVKDONJSA-N 200.285 2.543 30 20 BFED CCc1ccc(C(=O)N(CC)C[C@H](C)C#N)cc1 42296265 ZHZFAOAZYLBKIV-GFCCVEGCSA-N 244.338 2.871 30 20 BFED CC[C@@H](C)[C@H](C)NC(=O)c1ccc(C#N)cc1 42414936 ROZWUIDFDMSFSC-MNOVXSKESA-N 230.311 2.723 30 20 BFED CC1(C)C[C@H]1Nc1ccc([N+](=O)[O-])cc1C#N 44368428 XULLHLTUNARXQA-LLVKDONJSA-N 231.255 2.677 30 20 BFED CN(CCC#N)C(=O)/C=C/c1ccc(Cl)cc1 60847686 SAXOIVRJNYBTPZ-VMPITWQZSA-N 248.713 2.725 30 20 BFED C#CCNc1ccc(OCC)c(Cl)c1 68990842 FWSQRVGLNIXLIK-UHFFFAOYSA-N 209.676 2.784 30 20 BFED CN1CCN(CCCCC#N)Cc2ccccc21 69087387 ZLBDFEIHDFWCOP-UHFFFAOYSA-N 243.354 2.632 30 20 BFED CC(=O)/C=C/c1ccc(Br)o1 70586428 UWWSOMAVGKWODG-NSCUHMNNSA-N 215.046 2.644 30 20 BFED N#CCC1(COc2ccccc2C=O)CC1 83854539 ASEGHEJOLBGTBV-UHFFFAOYSA-N 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C#CCN(CC)C(=O)C[C@@H](C)c1ccccc1C 265222307 SKBGNDMQSIMIAN-CQSZACIVSA-N 243.350 2.970 30 20 BFED C=C1CCN(C[C@H](O)c2ccc(C)cc2)CC1 266553944 VFNCZMFGPILDJB-HNNXBMFYSA-N 231.339 2.680 30 20 BFED C=C(C)[C@@H](CC(=O)Nc1ccncc1C)OCC 270014902 BXMQKUYZPDDYHC-CYBMUJFWSA-N 248.326 2.700 30 20 BFED C#CCCCOc1ccc(N2CCCC2=O)cc1 270940377 SBBQCYGVAAFOSB-UHFFFAOYSA-N 243.306 2.606 30 20 BFED CC[C@H](C)[C@@H](O)CN[C@@H](C)c1cccc(C#N)c1 271858650 JWOCZHOYUDEYKW-HUBLWGQQSA-N 246.354 2.616 30 20 BFED C=CCCSCCCn1ccnc1C 271869475 XHPOIAVHFOCZRD-UHFFFAOYSA-N 210.346 2.891 30 20 BFED CC[C@H](NC[C@](C)(O)CC)c1ccc(C#N)cc1 278873627 XFGJXRGWBXPUBH-LSDHHAIUSA-N 246.354 2.760 30 20 BFED N#C[C@@H]1CC[C@@H](N[C@@H]2CCc3c(O)cccc32)C1 282507681 YPTMXSYVKBEABZ-JTNHKYCSSA-N 242.322 2.661 30 20 BFED Cc1ccc(/C(N)=N/OCCCCF)cc1F 285122541 KJIUPUFOPBVZFA-UHFFFAOYSA-N 242.269 2.521 30 20 BFED CC1(C(=O)COc2cc(Cl)cc(C#N)c2)CC1 287492127 JTSFFKTXKRACJO-UHFFFAOYSA-N 249.697 2.960 30 20 BFED C#C[C@@H](C)N[C@@H](CCc1ccccc1)C(F)F 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20 BFED C=C[C@@H](CO)N[C@@H](C)c1cc(C)c(C)cc1C 353568847 PWOSHLGTZWSEII-KBPBESRZSA-N 233.355 2.809 30 20 BFED CC#CCCCC(=O)N1CC[C@H](CC2CC2)C1 359736858 RJFAQRJEUGZKBI-CQSZACIVSA-N 233.355 2.829 30 20 BFED CC#CCN(C)[C@H]1C[C@@H](OC)C1(CC)CC 360138551 FYWGDGXBGPRKIP-QWHCGFSZSA-N 223.360 2.535 30 20 BFED C=CCOCCCN1Cc2ccc(C)cc2C1 361599929 FPMUIDJTGCYAEZ-UHFFFAOYSA-N 231.339 2.903 30 20 BFED CC#CCCCC(=O)N(CCC)C1CC1 362148692 BBOYDZLIKBCXHC-UHFFFAOYSA-N 207.317 2.581 30 20 BFED CCC[C@@H]1C[C@H]1C(=O)N(C1CC1)C1(C#N)CCC1 362187547 LKXLDJSGJCMPFQ-DGCLKSJQSA-N 246.354 2.860 30 20 BFED C=C[C@@H](C)NC(=O)N[C@H](CC)C(C)(C)C 362371698 UDAQXURDGPGAHP-NXEZZACHSA-N 212.337 2.685 30 20 BFED C=CCCCN1CCOCC12CCCC2 367090138 VAVIVJPNRWQGLP-UHFFFAOYSA-N 209.333 2.598 30 20 BFED C=CC(C)(C)CN=c1ccc(C(F)(F)F)n[nH]1 385454552 JWWXTBRPASLSGL-UHFFFAOYSA-N 245.248 2.541 30 20 BFED C[C@H]1Cc2c(ncn2CC2(CC#N)CC2)C[C@H]1C 386431455 BDNNRXVIKZGBBX-NEPJUHHUSA-N 243.354 2.948 30 20 BFED C=C[C@H](COC)N[C@H]1CCC[C@@H](C2CC2)C1 390629259 KSIMYIAZRYIZPB-MCIONIFRSA-N 223.360 2.746 30 20 BFED C=C(C)CCN1CCC(CCC#N)CC1 399445597 VRNWRXXTXSVYEL-UHFFFAOYSA-N 206.333 2.968 30 20 BFED CC[C@@H](C)NCc1ccc(C#N)c(F)c1 404155766 VSCIRWLYFDVROB-SECBINFHSA-N 206.264 2.585 30 20 BFED N#Cc1cc(NCCC(F)F)c([N+](=O)[O-])s1 407100101 RTOCUYUDHLINPW-UHFFFAOYSA-N 247.226 2.595 30 20 BFED C=CCC(C)(C)C(=O)N1CC[C@H](OC)C[C@@H]1C 410820268 AFTLCTNIDCNHOY-RYUDHWBXSA-N 239.359 2.615 30 20 BFED Cc1ccc2ncc(CN(C)CCC#N)cc2c1 411306112 FINFAPREYSWPFC-UHFFFAOYSA-N 239.322 2.889 30 20 BFED C=CC[C@H](C)[C@H](C)NC[C@@H]1C[C@H](C)O[C@H]1C 414285888 SCEWXRWFVXDDQX-PEDHHIEDSA-N 225.376 2.990 30 20 BFED C=CCCCCCN1C(=O)CC2(CCC2)C1=O 419038694 KDMVNFNTOFRWKF-UHFFFAOYSA-N 235.327 2.662 30 20 BFED C[C@@H](CCC1CC1)NC(=O)NCC1(C#N)CCC1 419475476 DUXJNVWDDQCMPO-NSHDSACASA-N 249.358 2.558 30 20 BFED COC1([C@H](C)N[C@@H]2CC[C@H](C#N)C2)CCCC1 424317344 BYLBZTPOWFSTMP-RWMBFGLXSA-N 236.359 2.616 30 20 BFED C=CCCOCCNC(=O)[C@H]1CCCC[C@@H]1C 424752466 OIJPYMQUEXABJN-STQMWFEESA-N 239.359 2.522 30 20 BFED C=CCN(CCC#N)CCCCOC(C)(C)C 428843009 UMSIEFWYZJOOBR-UHFFFAOYSA-N 238.375 2.983 30 20 BFED C=C(C)CNC(=O)c1cccc(F)c1SC 436120975 XIAWGCCUDFYEFK-UHFFFAOYSA-N 239.315 2.854 30 20 BFED CC(C)CCN(CCC#N)CC[C@@H]1CCOC1 438097489 QHHRKWMLTULYMA-CQSZACIVSA-N 238.375 2.675 30 20 BFED Cc1cc(Cn2nnc3ccccc32)ccc1C#N 447295122 JJBAIPQJUHIJDC-UHFFFAOYSA-N 248.289 2.660 30 20 BFED CCCN(CC#N)Cc1cc2cccnc2o1 449014230 HIWNDSVXKQEKNR-UHFFFAOYSA-N 229.283 2.563 30 20 BFED C=C[C@@H]1OCCC[C@H]1N[C@H](C)CCC1CC1 449546208 AXQYRVUBZAKYBH-BNOWGMLFSA-N 223.360 2.888 30 20 BFED CC(C)[C@@H]1C[C@H]1CNCc1ccc(C#N)o1 449550932 DGQCAIGNVODGJN-GWCFXTLKSA-N 218.300 2.533 30 20 BFED CC[C@H](C)CN(C)c1cccc(C#N)c1[N+](=O)[O-] 450330721 ABJQEGYIMYLDCY-JTQLQIEISA-N 247.298 2.949 30 20 BFED C=CCOCCN[C@H](CCC)C(C)(C)C 451441645 SMKFJKYGFZNYHM-GFCCVEGCSA-N 213.365 2.993 30 20 BFED C=CCCCCNC(=O)N[C@H](CC)C(F)F 454812276 MLCHNIYHTLRIDO-SECBINFHSA-N 234.290 2.686 30 20 BFED CC#CCCCC(=O)N[C@@H]1C[C@@]1(C)C(C)C 458149818 WRYMNFDBMMFVQF-OCCSQVGLSA-N 221.344 2.731 30 20 BFED CSC1(CNCC(C)(C)CC#N)CCC1 459734633 SILBXKFPQANMND-UHFFFAOYSA-N 226.389 2.802 30 20 BFED CCOc1ccccc1NC(=O)[C@]1(C#N)C[C@@H]1C 459825775 BDAJDXZXJRLXRZ-HZMBPMFUSA-N 244.294 2.574 30 20 BFED C=CCCCCNC(=O)N1C[C@@H]2CCC[C@H]2C1 472851103 NRMLAENRMYHRKV-STQMWFEESA-N 236.359 2.784 30 20 BFED C#C[C@@H](CC)NCc1ncc(CSC)s1 491221132 TYWQSTNOVOMRIY-VIFPVBQESA-N 240.397 2.508 30 20 BFED C#CCN(Cc1cnoc1C)C1CCCCC1 491288713 UIJFWIBQFQQSRN-UHFFFAOYSA-N 232.327 2.751 30 20 BFED C#CCN(CC#N)Cc1cnc2ccc(C)cc2c1 491339652 RKIUNGCEBBHROK-UHFFFAOYSA-N 249.317 2.502 30 20 BFED C#C[C@H](NC(=O)/C(C)=C(\C)CC)C(C)(C)C 491624379 GXRCCFFSLRGBLV-IIANPFDCSA-N 221.344 2.897 30 20 BFED C#C[C@@H](CC)NC(=O)c1cc2cccc(C)c2o1 491702690 GYHIMYIXYFPVFL-LBPRGKRZSA-N 241.290 2.883 30 20 BFED C=CCOCC(=O)N[C@@H]1CCCC[C@H]1CCC 517863060 CKWOVJNCMJKHBT-CHWSQXEVSA-N 239.359 2.664 30 20 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249.745 2.766 30 20 BFED C=CC[C@H](C)NC(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2 420922082 VMZJMZRKYLEDHW-XDQVBPFNSA-N 248.370 2.853 30 20 BFED CCCC[C@@H](CN)N[C@@H](C)c1cccc(C#N)c1 423299121 PHSJBWHEQJHMAO-WFASDCNBSA-N 245.370 2.726 30 20 BFED Cc1cc(N2CCCC[C@@H](C)C2)c(C#N)cn1 425229767 BLUQFDDGWDQJLX-LLVKDONJSA-N 229.327 2.888 30 20 BFED Cc1ccc(NC(=O)CC#N)cc1OC(C)C 427620727 JRVKTVVLKFTKHI-UHFFFAOYSA-N 232.283 2.634 30 20 BFED CC(C)(C)c1ccc(CC(=O)NCCC#N)cc1 427648257 OWSSNUZLQOQZBV-UHFFFAOYSA-N 244.338 2.556 30 20 BFED C=C(C)CNC(=O)C1(CC(C)C)CCC1 427946235 VCYMKBHBESKNOR-UHFFFAOYSA-N 209.333 2.895 30 20 BFED C=C(C)CNC(=O)[C@H](CC)Nc1ccccc1 428124151 IXOYXDROEHNBOF-ZDUSSCGKSA-N 232.327 2.569 30 20 BFED C=CCCC(=O)N(CC1CCC1)C(C)C 431552527 IGYUBZXPWKVOGZ-UHFFFAOYSA-N 209.333 2.990 30 20 BFED C=C(CC)CN[C@H](COC)Cc1ccccc1 449732596 CDIGUKPFTCBDDG-HNNXBMFYSA-N 233.355 2.800 30 20 BFED CCC1CC(NCc2ccc(C#N)c(F)c2)C1 449736975 PTYMVJKOOHEAIY-UHFFFAOYSA-N 232.302 2.976 30 20 BFED 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C#CCNC(=O)CC1CCC(C(C)(C)C)CC1 764591233 XLFGGCRVYNGYSO-UHFFFAOYSA-N 235.371 2.978 30 20 BFED C#CCN(Cc1cc(C)ccc1F)C1CC1 764684628 ZXBODFQTEMQBED-UHFFFAOYSA-N 217.287 2.732 30 20 BFED C=C(C)CNC(=S)NCCCCCSC 774258019 NOBBHKWHADIOOT-UHFFFAOYSA-N 246.445 2.560 30 20 BFED CCOCCON=C[C@H]1CCC[C@@H](C)C1 774431813 FPFYEJNASXDGLP-NEPJUHHUSA-N 213.321 2.852 30 20 BFED Cc1ccc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)nc1 774595368 CEDVZTNHVWYDJF-OBJOEFQTSA-N 229.327 2.502 30 20 BFED C#C[C@H](NCc1ccc(Cl)cc1)[C@H]1CCCO1 775339259 BCXKILPCNLOQOM-UONOGXRCSA-N 249.741 2.610 30 20 BFED C#CCCCCCC(=O)Nc1cc(C)c(C)nn1 779942411 BIIKJJJOVGULPI-UHFFFAOYSA-N 245.326 2.616 30 20 BFED CC/C(C)=C(\C)C(=O)N(C)C1(C#N)CCC1 780910043 WUXIBNLFOOMJQD-ZHACJKMWSA-N 220.316 2.637 30 20 BFED CC(=NOCC(F)(F)F)[C@]1(C)CCCO1 782254159 VRRGENRFIXOKRS-QMMMGPOBSA-N 225.210 2.510 30 20 BFED C#CCSc1nc2ccccc2n1CC=C 782952415 BXYQRNNHMORBAH-UHFFFAOYSA-N 228.320 2.948 30 20 BFED CC(=NNc1nc2ccccc2[nH]1)[C@@H]1CCCO1 783790213 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2.982 30 20 BFED C=C(Cl)CSCc1nc(C(F)F)no1 818158346 JVUDSWMNWDYRDZ-UHFFFAOYSA-N 240.662 2.993 30 20 BFED CC#CCN(C)C(=O)c1ccsc1C(F)F 820818863 FPRGOZDGNXFZGB-UHFFFAOYSA-N 243.278 2.781 30 20 BFED C#CCNC(=O)c1ccc(OC(CC)CC)cc1 823684350 UEXAQVFFHHEIDG-UHFFFAOYSA-N 245.322 2.617 30 20 BFED C=C(C)CCN[C@@H]1CC[C@@H]2SCCS[C@H]21 824743577 GPPWTSQHCVKPRT-WOPDTQHZSA-N 243.441 2.922 30 20 BFED C=CCCCCN1CCC[C@@H]1c1ncc[nH]1 828604408 OZFIMZYRUIGQQH-GFCCVEGCSA-N 219.332 2.903 30 20 BFED Cl/C=C/CON=C1CCOC2(CCC2)C1 834980279 WDFIIQZAEDTYCE-OFFZUMJXSA-N 229.707 2.845 30 20 BFED C#CC[C@H](OC(=O)[C@H](CCC)OC)C(C)(C)C 835302169 JAENQVLGDFUCOT-RYUDHWBXSA-N 240.343 2.783 30 20 BFED C=CC(C)(C)COC(=O)[C@H]1CC[C@H](CC)O1 835725202 XAGVNIVUXDUOCW-WDEREUQCSA-N 226.316 2.699 30 20 BFED CC(C)(C)C#CC(=O)N1CCc2sccc2C1 837323100 XVUIXLWKPVPJDR-UHFFFAOYSA-N 247.363 2.682 30 20 BFED C[C@@H](Cc1cccs1)NC(=O)C#CC(C)(C)C 837338439 WPQIGPPZINDERQ-NSHDSACASA-N 249.379 2.845 30 20 BFED CCC(C)(C)OCC(=O)OCC#CC(C)(C)C 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238.262 2.532 30 20 BFED CN(CCC#N)Cc1ccc(C#N)cc1Cl 162849665 PVNOHGKVHPLLOQ-UHFFFAOYSA-N 233.702 2.557 30 20 BFED C=C(C)COCCN[C@@H]1CCC(C)(C)C1 164448762 MSZPQSXTFVGFHO-GFCCVEGCSA-N 211.349 2.747 30 20 BFED C=C(C)CCN1CCc2ccc(C(=O)O)cc2C1 164467099 CHEAIUXQLHTHRD-UHFFFAOYSA-N 245.322 2.709 30 20 BFED C[C@@H](NCCCCC#N)c1cncc(F)c1 167261741 QEDPGXGOYPKGSF-SNVBAGLBSA-N 221.279 2.565 30 20 BFED C#CCCCNC(=O)CCCc1ccccc1 172935242 TVWOJHBRFTVYHW-UHFFFAOYSA-N 229.323 2.539 30 20 BFED C=CCCCC(=O)Nc1ccnn1CCC 175276757 DEGYROMBZOSTED-UHFFFAOYSA-N 221.304 2.588 30 20 BFED C[C@H](N(C)C(=O)c1ccc(C#N)cc1)C1(C)CC1 175630478 NXRARJRNRBDLDA-NSHDSACASA-N 242.322 2.819 30 20 BFED C[C@H]1CC[C@H](C)N1C(=O)c1cc(C#N)cs1 176927969 RVMNBFNKQFVGJO-IUCAKERBSA-N 234.324 2.633 30 20 BFED C#Cc1cccc(N(C)C(=O)[C@@H](C)C2CC2)c1 178475173 CWXNDFKSVFOFOU-NSHDSACASA-N 227.307 2.677 30 20 BFED C=C[C@H](CC(=O)NC[C@@H](C)C#N)c1ccccc1 179380694 NEHWADVCUFJFSQ-QWHCGFSZSA-N 242.322 2.622 30 20 BFED 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2.977 30 20 BFED C=C(C)CN(C)C(=O)C1(Oc2ccccc2)CC1 421501893 DLKBMUZONRHFCV-UHFFFAOYSA-N 245.322 2.633 30 20 BFED CC[C@@H](NC[C@@H](N)C(C)C)c1ccc(C#N)cc1 423279833 SPUQQSXJEBXGQH-HUUCEWRRSA-N 245.370 2.582 30 20 BFED CCCC[C@H](CN)N[C@H](C)c1ccc(C#N)cc1 423300466 RRIUQYBTWPZSLO-IUODEOHRSA-N 245.370 2.726 30 20 BFED C=CCCN(C)Cc1oc(CCC)nc1C 428495289 PZHXMQNVLAYJBW-UHFFFAOYSA-N 222.332 2.943 30 20 BFED CN(C)c1ccccc1CNCC1(CC#N)CC1 430077298 OKTFQAUMPZEYHI-UHFFFAOYSA-N 243.354 2.536 30 20 BFED C=C[C@H](C)NC(=O)Nc1cc(C)cc(F)c1 432735539 LEOPLWHTVVABPK-VIFPVBQESA-N 222.263 2.830 30 20 BFED CC[C@H](C)N=c1ccc(C(F)(F)F)c(C#N)[nH]1 443414016 NIOYENGCMKVJPE-ZETCQYMHSA-N 243.232 2.604 30 20 BFED CC(C)[C@@H]1CCC[C@H](NC(=O)[C@@]2(C#N)C[C@@H]2C)C1 448911767 PNDOFNVJCWICAC-SFDCQRBFSA-N 248.370 2.867 30 20 BFED C=CC(C)(C)CN[C@H]1CCN(CC)C[C@@H]1C 449484586 IBTPWVDUCUMHQD-STQMWFEESA-N 224.392 2.519 30 20 BFED N#CCN(CC1CCC(=O)CC1)C1CCCC1 450427590 SQXLKRNKUCNREG-UHFFFAOYSA-N 234.343 2.514 30 20 BFED 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C#C[C@@H](CC)NCc1cc2ccncc2s1 825878488 PHHMEECFAOQNNJ-NSHDSACASA-N 230.336 2.798 30 20 BFED C=C[C@@H](C)NC(=O)C[C@@]1(C)CC1(Cl)Cl 826854735 QOPRRCIKKNOMAA-APPZFPTMSA-N 236.142 2.651 30 20 BFED CCC[C@H]1CCCCN1C(=O)C#CC(C)C 832149048 SBYPRVKCSKIXOW-ZDUSSCGKSA-N 221.344 2.827 30 20 BFED Cc1ccc(C(=O)/C=C\c2ccc(C(=O)O)[nH]2)o1 832911929 SBHKFLCLHVXPKJ-XQRVVYSFSA-N 245.234 2.510 30 20 BFED C[C@H]1CC[C@@H](C)CC1=NNCC(F)F 834958885 HKLUYEYWCLYBBC-SFYZADRCSA-N 204.264 2.653 30 20 BFED CC[C@H](C)[C@H](C=NNc1cccc(F)n1)OC 834979794 NVOLQIBOKFKVIZ-UWVGGRQHSA-N 239.294 2.680 30 20 BFED CC(C)CC[C@@H]1CCC(=NNC[C@H](C)O)C1 834983021 PLZJLYBZKDFQNX-NWDGAFQWSA-N 226.364 2.549 30 20 BFED c1cc(NN=C2CCC3(CC2)CC3)ncn1 835001560 NXNNTSCCONGEAG-UHFFFAOYSA-N 216.288 2.599 30 20 BFED CCCCCC=NNc1ccc(C(=O)O)nc1 835007262 RVIZCRHXTKZRGE-UHFFFAOYSA-N 235.287 2.758 30 20 BFED C=CCON=Cc1cc2c(cc1OC)C[C@H](C)O2 835016734 ZUWCZQSSXVGFBF-JTQLQIEISA-N 247.294 2.555 30 20 BFED C=C[C@](C)(CCOC)C(=O)OC[C@@H](C)SC 835685456 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C=C[C@@](C)(CC)C(=O)Nc1cccnc1F 843692490 PXJZKQGLHXZQKD-LBPRGKRZSA-N 222.263 2.762 30 20 BFED C=C[C@@H](C)ON=C1C[C@H](OCC)C12CCC2 844621393 GXEBPIPUHUJQJF-PWSUYJOCSA-N 223.316 2.913 30 20 BFED CC#CCCOC(=O)c1cc(SC)oc1C 850231775 YHZQZUVNCLFUBR-UHFFFAOYSA-N 238.308 2.880 30 20 BFED C=CC[C@H]1CCCN(CCC(=O)C(C)C)C1 852411885 VZLMXJZSPMMGTC-ZDUSSCGKSA-N 223.360 2.890 30 20 BFED C#Cc1cccnc1N1CCCC[C@@H](SC)C1 853453595 XBHGOMUYBOOFQV-CYBMUJFWSA-N 246.379 2.785 30 20 BFED C#C[C@@](C)(CC)NC(=O)C=C(CC)CC 854699306 UWHKBPZKZMZHPF-ZDUSSCGKSA-N 207.317 2.651 30 20 BFED C#CCCCC(=O)NCc1ccc2occc2c1 855386443 XJDJJSJYXBVKDD-UHFFFAOYSA-N 241.290 2.853 30 20 BFED CCCC[C@@H](C(=O)N=C1C[C@@H](C)ON1)C(C)C 857165279 BFFQYHMCBHRSRV-GHMZBOCLSA-N 240.347 2.687 30 20 BFED CCCOC(=O)Oc1cccc(CC#N)c1 859129459 BCVDFLDNUTVONW-UHFFFAOYSA-N 219.240 2.678 30 20 BFED C#CC[C@@H](CCOC)N[C@@H](C)C1CCCC1 862549229 XPBCEYIRKQGVKY-JSGCOSHPSA-N 223.360 2.583 30 20 BFED C=CCCNCc1c(C)ccc([N+](=O)[O-])c1C 873135498 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CCCCN(O)C(=O)Cc1cc(F)ccc1F 904210140 HABNLIVAABASNF-UHFFFAOYSA-N 243.253 2.525 30 20 BFED CCCCN(O)C(=O)c1cccc2cnccc12 904210368 MZDWXDGAYPYEOS-UHFFFAOYSA-N 244.294 2.866 30 20 BFED C=CCN(C(=O)NCc1cccs1)C(C)C 917669326 VCRIOEJYABHAOK-UHFFFAOYSA-N 238.356 2.854 30 20 BFED C=CCNC(=O)C(F)(F)c1cccc(Cl)c1 921019376 JPTPSNHVQDNUJL-UHFFFAOYSA-N 245.656 2.734 30 20 BFED Cc1ccccc1[C@H](C)C(=O)N(C)[C@H](C)CC#N 931940312 CGHZUSTUIDLSJG-OLZOCXBDSA-N 244.338 2.859 30 20 BFED C=C(C)CN(C)C(=O)Nc1cnn(C2CCC2)c1 934302212 YRDYFDMFOVOTPP-UHFFFAOYSA-N 248.330 2.648 30 20 BFED C#CCCCCc1nnc([C@H]2CCCCO2)o1 1118141687 CSKBYAIJUDYDOR-LLVKDONJSA-N 234.299 2.657 30 20 BFED N#Cc1ccc(CN(C2CC2)C2CC2)s1 1118846384 ZPDUUFXRVVYGNT-UHFFFAOYSA-N 218.325 2.747 30 20 BFED CCc1ccc(-c2nc(C)cc(C#N)n2)cc1 1239586712 BLPAVAKNXXWEHO-UHFFFAOYSA-N 223.279 2.886 30 20 BFED C#CCCOC(=O)Cn1cc(C)c2ccccc21 1321273637 OGVZULQZKFGCGT-UHFFFAOYSA-N 241.290 2.516 30 20 BFED C#Cc1ccc(NCCC[C@@H]2CCCCO2)nc1 1336577740 PYMIBJTXAFERNV-AWEZNQCLSA-N 244.338 2.824 30 20 BFED C=C(C)CCC(=O)N[C@@H](C)CCc1cccn1C 1336972650 GOOOUNVBAAPREX-ZDUSSCGKSA-N 248.370 2.819 30 20 BFED CCC[C@H]1CCCN1C(=O)c1cc(C#N)oc1C 1337480618 ATNYVINDYBQQOM-NSHDSACASA-N 246.310 2.864 30 20 BFED C=C(C)CCC(=O)NC[C@@H]1Cc2ccccc21 1338791933 CPYRXGXXXZOKJF-ZDUSSCGKSA-N 229.323 2.799 30 20 BFED CCC(=NNc1ccn(C)n1)c1ccccc1F 1343528912 DTOBXRDYNUAUNV-UHFFFAOYSA-N 246.289 2.785 30 20 BFED CC[C@H](C#N)[C@H](OC(C)=O)c1cccs1 1343893540 KOYRJMCUICJUFS-KOLCDFICSA-N 223.297 2.902 30 20 BFED C#CC(C)(C)N(C)Cc1nc(C)sc1C 1345353817 CCOFYMYCLNTENN-UHFFFAOYSA-N 222.357 2.604 30 20 BFED C=C(C)CCC(=O)N(C)[C@@H](C)CCSC 1346835492 GERWDKGXECEPNX-NSHDSACASA-N 229.389 2.943 30 20 BFED C=C(C)CCC(=O)N1CC[C@@H](OCC(C)C)C1 1353610929 RTIXDANOPZHDCR-CYBMUJFWSA-N 239.359 2.616 30 20 BFED C#CCCCOC(=O)c1cc(Cl)ncc1C 1356155856 DCRNJCXBKJMITR-UHFFFAOYSA-N 237.686 2.614 30 20 BFED C#Cc1ccc(N(C)[C@H](C)C2(C)CC2)nc1 1515548100 LJGJJDPBGPGYSO-LLVKDONJSA-N 214.312 2.688 30 20 BFED CCCn1c(C(C)C)nnc1N(C)[C@H](C)CC#N 1547147485 XVDZBDDMXNMYPN-LLVKDONJSA-N 249.362 2.550 30 20 BFED Cc1ccc(CNc2cc(C#N)cnn2)c(C)c1 1559073817 QBDWTTYSLRCQAC-UHFFFAOYSA-N 238.294 2.577 30 20 BFED C#CCCCCCCNC1(C(=O)O)CCCC1 1588441421 GUFSEXIUYHPEPG-UHFFFAOYSA-N 237.343 2.557 30 20 BFED C=CCOc1cccc(N[C@@H](CC)C(=O)O)c1 1602921660 IYXRLBSXTRUODV-LBPRGKRZSA-N 235.283 2.527 30 20 BFED CCCC[C@H](CCC)CN=c1nc[nH]cc1C#N 1655250234 LNIBRQROZIFERM-LBPRGKRZSA-N 246.358 2.789 30 20 BFED C[C@@H](NCC1CC1)c1ccc(OCC#N)cc1 37187263 DKEJTWCXOIEZMO-LLVKDONJSA-N 230.311 2.650 30 20 BFED CCC[C@@H](CC)Nc1cc(C#N)ccn1 50405600 CNIGIXXLNBBMTI-LLVKDONJSA-N 203.289 2.944 30 20 BFED C#CCCN(C)Cc1ccc(Cl)s1 70159579 YXFUMYYAKNSLNC-UHFFFAOYSA-N 213.733 2.857 30 20 BFED CCC(=O)N(CCC#N)c1ccc(C)cc1 72678914 ZTAZBQQMQQJICY-UHFFFAOYSA-N 216.284 2.652 30 20 BFED C=CCOC(=O)c1cc2cccc(OC)c2o1 75801021 FVXQUPBOOTUDRV-UHFFFAOYSA-N 232.235 2.784 30 20 BFED C=CCN1CC[C@@H](COCc2ccccc2)C1 75864217 ZFTFDICRPNXXPX-OAHLLOKOSA-N 231.339 2.711 30 20 BFED C[C@@H](O)C[C@@H](C)CNc1ccc(C#N)cc1F 77228920 ZLZSWOFHCFWLNA-NXEZZACHSA-N 236.290 2.516 30 20 BFED C=CCSc1nc2ncc(Cl)cc2[nH]1 78249569 WDOMPRAFYZGCOT-UHFFFAOYSA-N 225.704 2.889 30 20 BFED C=CCOc1cccc(Cl)c1[N+](=O)[O-] 79741050 UWZIZIOQTWBOTN-UHFFFAOYSA-N 213.620 2.813 30 20 BFED N#C[C@H]1CCCN(Cc2cccc(F)c2F)C1 79830122 CCOPXDDFKHZUPE-SNVBAGLBSA-N 236.265 2.700 30 20 BFED CN(CCC#N)Cc1ccccc1OC(F)F 83219244 YAVGRKHGYIZPOJ-UHFFFAOYSA-N 240.253 2.633 30 20 BFED C[C@H](CC(=O)O)SCCC(C)(C)C#N 85157878 NTYXDJCBIANCEG-MRVPVSSYSA-N 215.318 2.523 30 20 BFED CC(C)OCCCNCc1cc(C#N)cs1 86500131 NLFYPNHLPQCWEI-UHFFFAOYSA-N 238.356 2.524 30 20 BFED Cc1c(C#N)ccc(N)c1NC(C)(C)C 91693035 IKBGPBWYFHBVPV-UHFFFAOYSA-N 203.289 2.659 30 20 BFED C=C(C)CN(CC)C(=O)NCCCCC 107203657 ARRKNAABRNYJDG-UHFFFAOYSA-N 212.337 2.784 30 20 BFED C=CCCO[C@H](C)c1nc(CC(C)C)no1 109562341 HVZJLULUBNBCLV-SNVBAGLBSA-N 224.304 2.922 30 20 BFED Cc1ccc([C@@H]2CSCCN2CC#N)cc1 112635823 HKJXAGGQFYGNOE-ZDUSSCGKSA-N 232.352 2.609 30 20 BFED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccccc2)C1 116804531 BJXBFCAAXMYXFR-IUODEOHRSA-N 242.322 2.889 30 20 BFED C=CC[C@H](C)NC(=O)c1ccc(C)c(C)c1 116855997 GYBDPYDBMCMZKF-LBPRGKRZSA-N 217.312 2.998 30 20 BFED C=CCCCOC(=O)c1cccc(C#N)c1 117992753 VSZUOROGVVDTDN-UHFFFAOYSA-N 215.252 2.681 30 20 BFED C[C@H](Sc1nnc[nH]1)c1ccc(C#N)cc1 118171671 YMHZOXKVQPWRGR-QMMMGPOBSA-N 230.296 2.530 30 20 BFED CSc1c(F)cc(NC(=O)CC#N)cc1F 122125613 XMDJGHGCBHZFAZ-UHFFFAOYSA-N 242.250 2.539 30 20 BFED CCC(CC)CC(=O)N(C)C1(C#N)CCC1 124040581 WPWWMVUXYWUAGN-UHFFFAOYSA-N 222.332 2.717 30 20 BFED C=CCCO[C@@H](C)C(=O)OCc1ccccc1 125023654 FWFGXBSWXSAYBZ-LBPRGKRZSA-N 234.295 2.711 30 20 BFED N#CCNC(=O)c1cc2c(ccc3ccccc32)[nH]1 126933050 LRRLHKHJJOMUOJ-UHFFFAOYSA-N 249.273 2.574 30 20 BFED C#CCCCNC[C@H](C)c1ccccc1 127075857 BVLTXJCXTXYFLP-ZDUSSCGKSA-N 201.313 2.793 30 20 BFED C=CCCN1CCO[C@@H](c2ccccc2F)C1 132773732 SPQUJGISYHLVEV-CQSZACIVSA-N 235.302 2.775 30 20 BFED C=C(C)COCCNC[C@@H]1CCCC[C@H]1C 134859528 CYVQLEZWSIEQHD-KGLIPLIRSA-N 225.376 2.995 30 20 BFED CCCCCCCC(=O)N1CCOCC1(C)C 141049213 DGDYNOWVDDGVQK-UHFFFAOYSA-N 241.375 2.984 30 20 BFED CCCN(CC#N)C(=O)[C@H]1CCC[C@@H](C)C1 151959762 LUGPYEIPDPTEMV-NEPJUHHUSA-N 222.332 2.575 30 20 BFED CS[C@@H]1CCCCN(c2ccc(C#N)cn2)C1 154673756 MAHIXLPZIRKTDA-GFCCVEGCSA-N 247.367 2.675 30 20 BFED C=CCN(C)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 155104627 VOCTZLSYXRWQIF-CHWSQXEVSA-N 236.359 2.783 30 20 BFED C=C(C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1C 156066045 VQAKVTCPMZCWPQ-UHFFFAOYSA-N 249.270 2.601 30 20 BFED C=CCN(C)C(=O)Nc1ccc(OC)cc1C 157294364 XOLQDOMPWPUJJG-UHFFFAOYSA-N 234.299 2.653 30 20 BFED C/C=C(/C)C(=O)Nc1ccc(F)cc1OCC#N 159431518 ZRSFWJHFGXMHJT-OQFOIZHKSA-N 248.257 2.633 30 20 BFED CCN(CCC#N)c1nc(Cl)cs1 164953827 GLEJXOJZGCVMJK-UHFFFAOYSA-N 215.709 2.536 30 20 BFED C=CCCC(=O)N1CCC(C(F)(F)F)CC1 173479458 JSSUUMNUVFBHSK-UHFFFAOYSA-N 235.249 2.754 30 20 BFED C=C(C)CN1CCC(N[C@H](C)c2ccoc2)CC1 177917676 SBMCEXHLAZNABT-CYBMUJFWSA-N 248.370 2.971 30 20 BFED C=C(C)CN(C)C(=O)N[C@@H]1CCC[C@H](C)C1 180691262 OWMKNFYFTBOBRR-NWDGAFQWSA-N 224.348 2.783 30 20 BFED CCOC[C@@H](C)Nc1cc(C#N)ccc1OCC 180740561 PNYKOHXJOLPAOI-LLVKDONJSA-N 248.326 2.794 30 20 BFED C#C[C@@H](C)NC(=O)c1ccc(OC(C)(C)C)cc1 186060107 JPTUNIQPFTVMHI-LLVKDONJSA-N 245.322 2.615 30 20 BFED Cc1ccc(NCc2cc(C#N)n(C)c2)c(F)c1 189580250 DZNFWLUGPKTMQS-UHFFFAOYSA-N 243.285 2.956 30 20 BFED C=CCCCCCn1cccc(C)c1=O 194360424 RWMYPFVHKDWQOO-UHFFFAOYSA-N 205.301 2.903 30 20 BFED C#CCN(CCSC)Cc1ccc(F)cc1 195355476 IQTRCQIICFYEEV-UHFFFAOYSA-N 237.343 2.624 30 20 BFED CC[C@H](CC#N)NC(=O)[C@@H]1CCCC1(C)C 228867494 NJTCGGTYZNGGGH-MNOVXSKESA-N 222.332 2.621 30 20 BFED CCN(CC1CCC1)CC1(CC#N)CC1 230316606 QZPSGLYLNVHMFL-UHFFFAOYSA-N 206.333 2.802 30 20 BFED C=CCSCCNc1ccc(F)cn1 231954288 BYTIFENPRHFWGD-UHFFFAOYSA-N 212.293 2.552 30 20 BFED C#C[C@H](CCC)NC(=O)c1ccc(C)cc1 233358070 WKUVIOGGOQSBKG-CYBMUJFWSA-N 215.296 2.527 30 20 BFED CON=C1CCCc2[nH]c3ccc(F)cc3c21 254759269 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30 20 BFED N#CC1(COC(=O)c2cccc3[nH]ccc23)CC1 775846582 UQSHWIUIEZHPFQ-UHFFFAOYSA-N 240.262 2.628 30 20 BFED CCCC(=CC(=O)N=C1C[C@@H](C)ON1)CCC 777436586 SIWNREYQABINSB-SNVBAGLBSA-N 238.331 2.752 30 20 BFED C#CCCCCCC(=O)N(CC)C1CCC1 779954029 MRIFREYVURISJI-UHFFFAOYSA-N 221.344 2.971 30 20 BFED CCCCC=NNc1ccc(OC)cn1 780268977 YNUKBHBGVZGUQS-UHFFFAOYSA-N 207.277 2.678 30 20 BFED C=C[C@](C)(CC)C(=O)OCC[C@@H]1CCCO1 787803102 HWCJEQHJNSAINT-WCQYABFASA-N 226.316 2.701 30 20 BFED c1cc(CCNN=C2CCC23CCCC3)ccn1 789097515 IOPHPFBPDFKWMR-UHFFFAOYSA-N 243.354 2.924 30 20 BFED C1CC(=NOCCCC2CCOCC2)C1 790431267 OPKOGXGIRIQSAR-UHFFFAOYSA-N 211.305 2.750 30 20 BFED C#C[C@H](CCC)NC(=O)c1cccc(OCC)c1 791213680 SBJUHYAWKHNMTO-CYBMUJFWSA-N 245.322 2.617 30 20 BFED CC(C)CON=CCc1ccc([N+](=O)[O-])cc1 793033457 AXSXQTXPBWKYJZ-UHFFFAOYSA-N 236.271 2.796 30 20 BFED CC[C@H](C)CON=C(C)c1nccs1 793162833 CEMFZRQUZFWWPH-QMMMGPOBSA-N 212.318 2.930 30 20 BFED C[C@H]1CC(C)(C)CC1=NNc1ncncc1F 793199177 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2.559 30 20 BFED C=C1CC(c2noc(C3(CC)CC3)n2)C1 896881743 FPWMBLHQOVDUPA-UHFFFAOYSA-N 204.273 2.945 30 20 BFED Cc1cccc([C@@H](O)CN(C)CC(C)(C)C#N)c1 930567466 IXQBRCJWXMKYOO-AWEZNQCLSA-N 246.354 2.510 30 20 BFED CON(CCCC#N)[C@H](C)c1csc(C)n1 931537930 YYVGZMNYGOIJAJ-SECBINFHSA-N 239.344 2.680 30 20 BFED CC(C)(C)[C@H]1CSCCN1CCCC#N 931589980 KXRCVCRCQYAVEC-LLVKDONJSA-N 226.389 2.754 30 20 BFED C#CCN(Cc1cc(C#N)ccc1F)C(C)C 932394426 KQUHSKKCSNFNCN-UHFFFAOYSA-N 230.286 2.541 30 20 BFED CC(CCCCN(C)C)=NOC(C)(C)C 1116519005 VGSOFKVFWVKTDM-UHFFFAOYSA-N 214.353 2.909 30 20 BFED C#CCCCCCCN[C@H]1CC[C@H](OC)C1 1119243965 AGQMYQIFPIJSIK-KBPBESRZSA-N 223.360 2.727 30 20 BFED C=CC1CCN(Cc2ccc(O)c(F)c2)CC1 1120017468 AUJWYWUHFDCLQT-UHFFFAOYSA-N 235.302 2.929 30 20 BFED C=C(C)CCC(=O)N(C)[C@@H](C)C1(C)CC1 1120620731 DZCZHHWISMRUQG-NSHDSACASA-N 209.333 2.990 30 20 BFED C=C(C)CCC(=O)Nc1cccc(CCCO)c1 1120628359 BDIXQEIHYMMULS-UHFFFAOYSA-N 247.338 2.906 30 20 BFED CCCCCCCNCCNC(=O)[C@@H](C)CC 1123748156 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30 20 BFED C=C(C)COc1cc(F)ccc1[N+](=O)[O-] 57470236 OLLPOHYWYALSRE-UHFFFAOYSA-N 211.192 2.689 30 20 BFED C[C@@H](C#N)CN[C@H](C)Cc1ccc(F)cc1 62052638 CRWKCZQRWXHLAJ-WDEREUQCSA-N 220.291 2.506 30 20 BFED C#CC(C)(C)NC(=O)c1ccc(Cl)s1 69679565 DRUBAELBQLLQNL-UHFFFAOYSA-N 227.716 2.543 30 20 BFED C[C@@H](Cc1cccs1)NCCCC#N 70851212 AJJQISQUBZNMPH-JTQLQIEISA-N 208.330 2.572 30 20 BFED C=CCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 72626147 XSSUALKTKWZWHQ-UHFFFAOYSA-N 229.239 2.644 30 20 BFED CC(C)[C@H](C)NC(=O)Nc1ccc(CC#N)cc1 78316304 CDBCIVVNYQCOPD-NSHDSACASA-N 245.326 2.919 30 20 BFED N#Cc1cccc(NCc2cc(F)ccc2F)n1 80119246 SCODZMWXQZYEGM-UHFFFAOYSA-N 245.232 2.844 30 20 BFED C[C@@H](CC#N)N(C)c1nc(C(C)(C)C)ns1 87639809 XDZMLSPNNWEWFO-QMMMGPOBSA-N 238.360 2.574 30 20 BFED C=CCNc1ccccc1C(=O)N(CC)CC 89104262 OMKBVHFLECRKRK-UHFFFAOYSA-N 232.327 2.767 30 20 BFED C[C@H]1CN(C(=O)C2(C#N)CCCCC2)C[C@@H]1C 91327274 BUDAEZQNTBLQHJ-RYUDHWBXSA-N 234.343 2.575 30 20 BFED CC[C@H](C)CN(CC)C(=O)C1(C#N)CCC1 93695697 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20 BFED C[C@H]1CN(C(=O)C2(C#N)CCC2)c2ccccc21 129558598 VXVLXJVABYMANN-NSHDSACASA-N 240.306 2.831 30 20 BFED C#CCSCCN[C@@H](C)c1cccc(F)c1 130018981 RTDCSWBZUYAZSR-NSHDSACASA-N 237.343 2.843 30 20 BFED C#CCCCCNc1ccc(F)cc1[N+](=O)[O-] 130554603 QVIHELOPOPRJRX-UHFFFAOYSA-N 236.246 2.949 30 20 BFED C=C(Cl)CNCc1cc(F)c(F)c(F)c1 131658950 WZKKROWLLMWJQL-UHFFFAOYSA-N 235.636 2.946 30 20 BFED C=CCCCCCN(C)c1cc(C)ncn1 131741153 TZHLJRSQTGMDRG-UHFFFAOYSA-N 219.332 2.968 30 20 BFED CN(CC(C)(C)C)c1ccc([N+](=O)[O-])c(C#N)c1 131860874 DRUSWQYKUNUMPL-UHFFFAOYSA-N 247.298 2.949 30 20 BFED C=C(CN[C@H](C)[C@H]1CCCO1)c1ccccc1 134358848 QJABGUZAYOEPTF-UKRRQHHQSA-N 231.339 2.857 30 20 BFED C=CCC[C@H](C)NC[C@](C)(O)c1cccs1 134923793 XCGOLKMFZDUJOS-AAEUAGOBSA-N 239.384 2.900 30 20 BFED CC#CCNc1nc2cc(C)ccc2o1 143903581 LYSAOVIIPMIBCN-UHFFFAOYSA-N 200.241 2.571 30 20 BFED C=CCCN[C@@H](c1ccccc1)[C@@H](C)C(=O)OC 152058975 OYSPTSOIQJGQMW-TZMCWYRMSA-N 247.338 2.703 30 20 BFED CCN(CC)C(=O)c1ccc(C#N)c(Cl)c1 153491495 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30 20 BFED C=CCN(C(=O)C1(C(C)(F)F)CC1)C1CC1 1118839810 CYUJVLUSHFTRJI-UHFFFAOYSA-N 229.270 2.599 30 20 BFED COc1cccc2c1CC[C@H]2NCC(C)(C)C#N 1262160966 UJWWUNWMWDPHRY-CYBMUJFWSA-N 244.338 2.822 30 20 BFED C=CC[C@H](N[C@H]1CCC[C@@H](C)C1)C(=O)OCC 1320768695 UPWMCAVNQRPMIE-AGIUHOORSA-N 239.359 2.663 30 20 BFED CC(=NOCC1CC1)c1c(C)nc2sccn12 1330287131 VCIGMUYLHUEKPG-UHFFFAOYSA-N 249.339 2.855 30 20 BFED Cc1nnn(N=Cc2ccc(C(C)C)cc2)c1C 1331982330 BHVUMAREYWHJOI-UHFFFAOYSA-N 242.326 2.901 30 20 BFED C=C[C@@H](COC)NC/C=C\c1cccc(F)c1 1332364014 CRKSDSHQHCIWSO-VSKVDJIOSA-N 235.302 2.630 30 20 BFED CC[C@@H](C#N)OC(=O)c1cc(Cl)ncc1C 1335455110 PBFFUIUGCWMLSM-QMMMGPOBSA-N 238.674 2.502 30 20 BFED CC#CCCCC(=O)N[C@@H](C)c1ncccc1C 1336256459 VQVHUZXPMSFQRJ-ZDUSSCGKSA-N 244.338 2.761 30 20 BFED CC(C)C#CC(=O)N[C@H](C)c1ccc(F)cc1 1336689461 UBGBNWJVJGOZQJ-LLVKDONJSA-N 233.286 2.662 30 20 BFED C=C[C@H](COC)N[C@@H](CC)c1ccc(OC)cc1 1338113237 SJSXHKCZZHQYMA-HIFRSBDPSA-N 249.354 2.937 30 20 BFED CCC[C@@H](C)CC(=O)N(CC)[C@H](C#N)CC 1339196312 OKRJYACTAGVZCD-NEPJUHHUSA-N 224.348 2.963 30 20 BFED CCCCCCCCC(=O)OCC1COC1 1345563263 ATNKCOJDSYTDLA-UHFFFAOYSA-N 228.332 2.927 30 20 BFED C=CCC1(C(=O)OC2CSC2)CCCC1 1347171399 CRNUQTMOMMSXRT-UHFFFAOYSA-N 226.341 2.782 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)[C@@H]1C[C@H]1CC(C)C 1349905965 HJKZSVXCGPZOOP-FRRDWIJNSA-N 236.359 2.819 30 20 BFED C=CC(C)(C)C(=O)N[C@@H](C)c1ncccc1C 1353914133 BLPOOODEJSAXOZ-NSHDSACASA-N 232.327 2.779 30 20 BFED C=CCCC(C)(C)CNC1CC(CC(=O)O)C1 1353921605 IZUTUUFYILUKEX-UHFFFAOYSA-N 239.359 2.822 30 20 BFED CC(C)(CC#N)COC(=O)c1cnc(C2CC2)o1 1516905621 OACYDBAPTDCGJX-UHFFFAOYSA-N 248.282 2.649 30 20 BFED C=C(CC)C(=O)NC1(c2ccccc2F)CC1 1527748101 WLIJDJPHWMQSBY-UHFFFAOYSA-N 233.286 2.897 30 20 BFED C=CC[C@@H](SC[C@H](C)CC)C(=O)O 1602850484 WFTHBYODCMHRNS-RKDXNWHRSA-N 202.319 2.795 30 20 BFED CCc1c(C)nc(-c2cccs2)nc1C#N 1898208122 LHRZHZKDQYOFBQ-UHFFFAOYSA-N 229.308 2.948 30 20 BFED N#CCNC(c1ccccc1)c1ccccc1 34519351 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2.626 30 20 BFED C=C(C)CN1CCO[C@@](C)(c2ccccc2)C1 121240833 MJNVVQSUUFXVSK-OAHLLOKOSA-N 231.339 2.810 30 20 BFED C#CCOC(=O)[C@@H](CCC)c1ccccc1 121764794 VFDILPBLOQXAHQ-ZDUSSCGKSA-N 216.280 2.747 30 20 BFED CC(C)(C#N)CN[C@H]1CCc2c(F)cccc21 122240658 MCANIXBZCGHVTG-ZDUSSCGKSA-N 232.302 2.952 30 20 BFED N#Cc1ccc(NCc2ccccc2)cn1 124923419 RNSSDGLUBOLOEE-UHFFFAOYSA-N 209.252 2.565 30 20 BFED N#Cc1ccnc(SC[C@H]2CCCCO2)c1 125683680 GSUPGUUVFBJSEG-LLVKDONJSA-N 234.324 2.614 30 20 BFED C=CCC[C@H](C)NC1CCN(C(C)C)CC1 126867373 STEYIIFECGGHAM-ZDUSSCGKSA-N 224.392 2.804 30 20 BFED N#Cc1ncccc1NCC(C1CC1)C1CC1 130051448 QEZSJGYQYGRJRE-UHFFFAOYSA-N 227.311 2.801 30 20 BFED C=C[C@@H](C)Nc1cc(C)ccc1[N+](=O)[O-] 130627436 KTZFWTUITNPGLX-SECBINFHSA-N 206.245 2.890 30 20 BFED C#CCOC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 130807849 OWXHGIKEDJUOJM-BDAKNGLRSA-N 234.217 2.532 30 20 BFED C=C(Cl)CNCc1cc2ccccc2nc1O 135585790 MCXSLZWEWPIRFB-UHFFFAOYSA-N 248.713 2.783 30 20 BFED CCCCNc1c(C#N)cccc1[N+](=O)[O-] 139144130 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CC(C)CCC[C@H](C)NC(=O)c1c[nH]c(C#N)c1 181150733 LAIHNWJHBGHBIQ-NSHDSACASA-N 247.342 2.831 30 20 BFED C=CCCC[C@@H](C)NC(=O)[C@H]1C[C@@H]1C1CC1 182639883 DGDRKTQCWPXVEO-RTXFEEFZSA-N 221.344 2.894 30 20 BFED N#Cc1ccc(CNCCC[C@H]2CCCCO2)o1 186286736 SYIHCXXAYGMYCS-GFCCVEGCSA-N 248.326 2.590 30 20 BFED CCC(C)(C)CNC(=O)c1ccc(C#N)cc1 189996082 MXZXVCUILCXYJV-UHFFFAOYSA-N 230.311 2.724 30 20 BFED CC#CCN1CCO[C@@H](c2ccc(CC)cc2)C1 190290155 FGQIHNUKQUBPSL-MRXNPFEDSA-N 243.350 2.646 30 20 BFED C=CCOc1ccccc1C(=O)NCC=C(C)C 191816166 MTRQBOITTGHHSA-UHFFFAOYSA-N 245.322 2.947 30 20 BFED N#CC1CCN(C/C=C\c2ccccc2)CC1 199167643 LNWVETWBBJXJEI-DAXSKMNVSA-N 226.323 2.935 30 20 BFED C#C[C@@H](CC)N[C@H](C)CCc1ccco1 229521914 GVYDTFRFEROOMM-NEPJUHHUSA-N 205.301 2.602 30 20 BFED C#C[C@H](CC)NCc1cc(Cl)cs1 229899159 ZWDHOIFNMIUVDG-SECBINFHSA-N 213.733 2.903 30 20 BFED Cc1cc(S[C@H](C)[C@@H](C)O)ccc1C#N 235322370 FMXSRKUAFYDKBO-NXEZZACHSA-N 221.325 2.728 30 20 BFED C#CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C 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C=C(CNC(=O)NC(C)(C)C)c1ccccc1 287204824 MAVNBYCEFQIATI-UHFFFAOYSA-N 232.327 2.798 30 20 BFED CC[C@@H]1C[C@H]1NC(=O)Nc1ccc(C#N)c(F)c1 289593590 BDOWBPDHZJDZPM-PRHODGIISA-N 247.273 2.617 30 20 BFED C=CCN(CCC#N)C(=O)CC[C@@H](C)CC 292473247 PVKFRFAHTYSOFP-LBPRGKRZSA-N 222.332 2.741 30 20 BFED C=CCCO[C@@H](C)C(=O)NCC(C)(C)CC=C 293741025 JBQBNOIHOQCXHL-LBPRGKRZSA-N 239.359 2.686 30 20 BFED C=CC[C@@H](C)[C@H](C)NCc1nnc(C(C)C)[nH]1 294871966 UUQMPVSDMRXVTA-MNOVXSKESA-N 236.363 2.618 30 20 BFED C=CCN(CCC#N)C(=O)[C@H]1CCC[C@H]1CC 295485826 ZYQREVWFCMCLSC-OLZOCXBDSA-N 234.343 2.741 30 20 BFED CC#CCN(C)C(=O)NCCC1=CCCCC1 297292650 DFABONFLEUQGQU-UHFFFAOYSA-N 234.343 2.542 30 20 BFED C#C[C@@H](NC(=O)CC1CCCCC1)C(C)C 301009559 YNDHXEOIJCZMJJ-CYBMUJFWSA-N 221.344 2.731 30 20 BFED COc1cc(F)cc(NCC2(CC#N)CC2)c1 302375063 LFTWBFIFROGMHP-UHFFFAOYSA-N 234.274 2.940 30 20 BFED N#Cc1ccnc(N2C[C@H]3CCC[C@@H](C3)C2)c1 302446218 WVYXYQOCAZLYEG-STQMWFEESA-N 227.311 2.580 30 20 BFED C=CCCN(C)C[C@@H]1CC1(Cl)Cl 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2.524 30 20 BFED C#C[C@H](CCC)NC(=O)c1ccsc1Cl 834364346 XZDUUAOEOTWXDW-MRVPVSSYSA-N 241.743 2.933 30 20 BFED FC(F)(F)CCON=CCCc1cnoc1 834971799 HJJJFULBYPGORU-UHFFFAOYSA-N 236.193 2.562 30 20 BFED CC(C)(C)C#CC(=O)N1CC[C@H](c2ccco2)C1 837411053 VAFVRLUUPRKXPI-LBPRGKRZSA-N 245.322 2.645 30 20 BFED C[C@@H]1CN(C(=O)C#CC(C)(C)C)CCC1(F)F 837662178 RRWOJZWEJNPWCN-SNVBAGLBSA-N 243.297 2.540 30 20 BFED C=CCONC(=O)N(C)C[C@H](C)c1ccccc1 838707951 UCIPAGQROYBLJQ-LBPRGKRZSA-N 248.326 2.549 30 20 BFED C#CCC[C@H](C)OC(=O)COc1ccc(C)cc1 839032593 QRZXVBJLYDFMLZ-ZDUSSCGKSA-N 246.306 2.719 30 20 BFED C#CCC[C@H](C)OC(=O)c1coc(C2CC2)n1 839040543 ZBHMXORZFLDWPF-VIFPVBQESA-N 233.267 2.511 30 20 BFED C[C@@H](CCC#N)N(C)CCc1ccccc1F 839491148 KROVIJWVCJCEKT-LBPRGKRZSA-N 234.318 2.992 30 20 BFED C#CCN(CC#CC)CCC1(C#N)CCCCC1 839495129 GBBQWNHOHYXFDK-UHFFFAOYSA-N 242.366 2.809 30 20 BFED C=CCN(C)C(=O)[C@H](C)OCCCCCC 839732168 WBKFKJUBJLFJHE-LBPRGKRZSA-N 227.348 2.616 30 20 BFED C#CC1CCN(C(=O)/C=C2/CC[C@@H](C)C2)CC1 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2.504 30 20 BFED C#CCOCCOc1ccc2[nH]c(C)cc2c1F 853689077 LNYACIMSQKXYMM-UHFFFAOYSA-N 247.269 2.644 30 20 BFED Clc1ncc(CON=CC2CC2)s1 853735027 NKFMYROFVFMBLL-UHFFFAOYSA-N 216.693 2.709 30 20 BFED COc1ccc(C)cc1NC(=O)C#CC(C)C 854169371 MTDPJWUZFFEQNT-UHFFFAOYSA-N 231.295 2.602 30 20 BFED C=C(C)CONC(=O)NCc1cc(C)cc(C)c1 854216901 GURDCAJBIZGFBC-UHFFFAOYSA-N 248.326 2.610 30 20 BFED CCC(=NNc1ncc(Cl)cn1)C1CC1 857222722 CLJFKKYHQJQSSE-UHFFFAOYSA-N 224.695 2.718 30 20 BFED C#CCCOC(=O)N(C)[C@@H](C)c1ccc(F)cc1 858885702 NEHQPHYGLCZDGY-NSHDSACASA-N 249.285 2.978 30 20 BFED CCC(C#N)(CC)C(=O)OCCC(F)(F)F 860196376 XHEVUJKBKGJJOT-UHFFFAOYSA-N 237.221 2.812 30 20 BFED C/C(=C/C(=O)Nc1cc(F)cc(C#N)c1)C1CC1 869863845 XJHPNPJABQRNBQ-WTKPLQERSA-N 244.269 2.992 30 20 BFED C#CCCCCN[C@@H](C)c1cc(O)ccc1F 872050200 ZPZWNSULRAEIFR-NSHDSACASA-N 235.302 2.985 30 20 BFED c1cncc([C@@H]2CCCC(=NN3CCC3)C2)c1 872397597 PUFYMLPUGKDDET-GFCCVEGCSA-N 229.327 2.801 30 20 BFED C#CCCCCCCN[C@@]1(C)CCO[C@@H]1C 877308310 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20 BFED CC(CCc1ccc(C)cc1)=NN1CCOCC1 920359224 VUVFVQYUSWZQPO-UHFFFAOYSA-N 246.354 2.636 30 20 BFED C[C@H](CC(C)(C)C#N)NCCCCC#N 924943731 WSMVCBFBKCFFKP-LLVKDONJSA-N 207.321 2.598 30 20 BFED C=CCN(Cc1cc(C)cc(C)n1)[C@@H](C)COC 930932886 NWBJFFDNTKUHRX-AWEZNQCLSA-N 248.370 2.721 30 20 BFED Cc1ccc(F)c(CN2CCC[C@H](C#N)C2)c1 932154790 NFFBPONACMNVSN-GFCCVEGCSA-N 232.302 2.870 30 20 BFED C#CCN(Cc1ccn(C2CCCC2)n1)C(C)C 932391252 VRMLHEVJPYDBGF-UHFFFAOYSA-N 245.370 2.842 30 20 BFED C#CCN(C[C@@H]1CC1(Cl)Cl)C(C)C 932393581 CPVPTALSNYIRPQ-VIFPVBQESA-N 220.143 2.524 30 20 BFED Cc1cccc2oc(C(=O)NC[C@@H](C)C#N)cc12 932473368 WOBKHHUJTSGYKK-VIFPVBQESA-N 242.278 2.631 30 20 BFED C#Cc1ccc(NC(=O)NC[C@@H](C)C2CC2)cc1 934936537 UQACTQFDHYPXSG-LLVKDONJSA-N 242.322 2.836 30 20 BFED COc1cc(CNCC2(C#N)CCC2)ccc1F 1118029289 SQMXNZFXPWLQSG-UHFFFAOYSA-N 248.301 2.618 30 20 BFED COc1ccc(NC2CC(C)C2)cc1C#N 1119248122 DWESVSDQDIUDPH-UHFFFAOYSA-N 216.284 2.777 30 20 BFED CC(C)(C)Cc1nnc(C2(C#N)CCCC2)o1 1257830876 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223.247 2.682 30 20 BFED CCC(CC)CON=C1CCCOCC1 853686256 XITIQGHYPFMBGU-UHFFFAOYSA-N 213.321 2.996 30 20 BFED C#C[C@H](C)NCc1ccc(CCC)s1 857045549 OPJWQTFILUNAOX-JTQLQIEISA-N 207.342 2.812 30 20 BFED C=C(C)CN(CC)C(=O)c1cnc(F)c(C)c1 857574556 VEDBWHOHVJNFOX-UHFFFAOYSA-N 236.290 2.567 30 20 BFED CC(C)c1nocc1C(=O)OCC1(C#N)CCC1 860229064 BXZLWAUYRDMVHJ-UHFFFAOYSA-N 248.282 2.649 30 20 BFED C#C[C@H](CC)OC(=O)C[C@H](C)c1ccco1 860663745 UTIYOGXQJIWREX-WDEREUQCSA-N 220.268 2.728 30 20 BFED C#C[C@H](OC(=O)CCCOC)c1ccc(C)cc1 860965195 FHBGVFHQTMCSSL-AWEZNQCLSA-N 246.306 2.639 30 20 BFED CCCCCCCNC(=O)[C@@H](C)[C@@H](C)COC 862355648 MAXROPNFRDSQBP-STQMWFEESA-N 243.391 2.992 30 20 BFED C#CCCCCNCc1cc(F)ccc1N(C)C 865490652 CCNGHIKZOWVYAT-UHFFFAOYSA-N 248.345 2.785 30 20 BFED C#Cc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cc1 865755480 YHFYYESEBDXXBJ-VXGBXAGGSA-N 239.240 2.708 30 20 BFED O=[N+]([O-])c1cccc(NN=C2CCC[C@H]2F)c1 872326571 OOSMJKJIFUAJMT-SNVBAGLBSA-N 237.234 2.885 30 20 BFED CC(=O)Nc1cccc(C=NOC2CCC2)c1 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30 20 BFED C=CC[S@@](=O)Cc1sccc1Cl 905209053 ZZNILHNKGQHZGT-GFCCVEGCSA-N 220.746 2.836 30 20 BFED C=CC[S@](=O)CCCOCc1ccccc1 905221977 FPPNOOVJRGYIIV-INIZCTEOSA-N 238.352 2.528 30 20 BFED CC[C@H](C#N)N(C)C(=O)[C@@H](C)c1ccccc1C 906006800 LZLYIJRGAJINCO-QWHCGFSZSA-N 244.338 2.859 30 20 BFED C#C[C@H](CC)NC(=O)C1(C2CCCCC2)CC1 907716907 DVGCSXJNCKPEGS-CYBMUJFWSA-N 233.355 2.875 30 20 BFED CC[C@@H](C)CCC(=O)OCc1cc(C#N)ccn1 909301899 OHXPWRWHIIKTSB-LLVKDONJSA-N 246.310 2.823 30 20 BFED CC[C@@H](C)OC(=O)c1ccc(C#N)cc1OC 910247263 JBFYFQWTOHIJEU-SECBINFHSA-N 233.267 2.522 30 20 BFED C#CCNC(=O)NC1CCC(CCCC)CC1 920239799 YMFOGIYWYAOMDN-UHFFFAOYSA-N 236.359 2.668 30 20 BFED C=CCCCC[C@@H](C)NCCO[C@@H]1CCOC1 927083821 OXLZOHDOUCAGQU-ZIAGYGMSSA-N 241.375 2.516 30 20 BFED CCN(Cc1cccc(OC)c1C)C[C@H](C)C#N 929428120 CEWOUVOCCBIVLS-GFCCVEGCSA-N 246.354 2.985 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1ccc2nccn2c1 932615499 QRCCDCOJJRPFII-NSHDSACASA-N 243.310 2.875 30 20 BFED C=C[C@H](C)NC(=O)c1cnc(CC(C)C)s1 934527393 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228.339 2.855 30 20 BFED C#CCOC(=O)/C=C/c1ccc(Cl)cc1 57472205 FDZBMYRHJHOFFY-VMPITWQZSA-N 220.655 2.530 30 20 BFED CCOc1cccc(/C=C/C(C)=O)c1OC 58002548 OPRIUPDQKQPZET-CMDGGOBGSA-N 220.268 2.696 30 20 BFED CC[C@@H]1CCCCN1c1ccnc(C#N)c1 61814929 WLIJTQGMDQCTLG-GFCCVEGCSA-N 215.300 2.722 30 20 BFED CC(C)CC(=O)N[C@H](C)c1cccc(C#N)c1 75277130 VBFVZXTYPFXXKF-LLVKDONJSA-N 230.311 2.782 30 20 BFED C#CCN(CCCC#N)[C@H]1CCc2ccccc21 76996767 ICMYPFFSDAMAJZ-INIZCTEOSA-N 238.334 2.913 30 20 BFED C[C@@H](CC#N)NC(=O)CCCC1CCCC1 79813319 WNHDNOIGLJNNMH-NSHDSACASA-N 222.332 2.765 30 20 BFED CC[C@H](C)CN(C)CCCSCC#N 80628516 QAXIJBJTFOFQIB-NSHDSACASA-N 214.378 2.611 30 20 BFED N#Cc1ccncc1N1CCc2ccccc2C1 84531951 RZOGTHXPPUGQPJ-UHFFFAOYSA-N 235.290 2.516 30 20 BFED CC[C@]1(C)CCCN(c2cnccc2C#N)C1 91728153 NOLQQFLSJWDTOK-CQSZACIVSA-N 229.327 2.970 30 20 BFED C=C(C)COC(=O)C1(c2ccccc2)CC1 98069918 XXQNFFBLGKNFJH-UHFFFAOYSA-N 216.280 2.838 30 20 BFED C=CCCC(=O)N[C@@H]1CCCc2occc21 102328707 DEMYUVLRJFAFSH-LLVKDONJSA-N 219.284 2.739 30 20 BFED Cc1cccnc1C/N=C/c1ccccc1O 105356182 RNBJNCFLSNWDKI-OQLLNIDSSA-N 226.279 2.715 30 20 BFED C=CC1CCN([C@@H](CCCC)C(=O)OC)CC1 111693206 SCPPOELWQLVEKC-ZDUSSCGKSA-N 239.359 2.616 30 20 BFED C#Cc1cccc(N(C)CC2CCOCC2)c1 112697673 PKQVIOUGWITZQL-UHFFFAOYSA-N 229.323 2.531 30 20 BFED C=CCNC(=O)[C@@H](C)CC1CCCCC1 114313896 JVLLVCAWAWXJLL-NSHDSACASA-N 209.333 2.895 30 20 BFED C=CCCCn1c2c(sc1=O)CCCC2 117552261 HLNYZHJJMJAGNF-UHFFFAOYSA-N 223.341 2.755 30 20 BFED C#CCSCCN[C@H](CC)Cc1ccccc1 119098741 GTSKZOIBOLFZBO-OAHLLOKOSA-N 247.407 2.964 30 20 BFED C=C(C)CNCc1nc2c(s1)C[C@@H](C)CC2 119659127 CKPQZHVHUWKWJK-JTQLQIEISA-N 236.384 2.934 30 20 BFED CC(C)(C#N)CCN1CCOC2(CCCC2)C1 119741349 OFUBKBPYQRXBRL-UHFFFAOYSA-N 236.359 2.571 30 20 BFED CC#CCNC(=O)c1cc(CCC)c(C)s1 121514169 DALKNGGWWPRZBO-UHFFFAOYSA-N 235.352 2.762 30 20 BFED C=CC[C@H](C)N[C@H]1CCOC2(CCC2)C1 122272990 PCHDOCJBHCZXCL-RYUDHWBXSA-N 209.333 2.642 30 20 BFED CCc1nnc(NCCC(C)C)c(C#N)c1CC 122434639 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30 20 BFED C=CCn1c(C)nnc1N1CCCC(C)(C)CC1 289849587 XUIKSLCDXOSQGK-UHFFFAOYSA-N 248.374 2.789 30 20 BFED CC1(C)C[C@]1(C#N)NC(=O)c1ccc(Cl)cc1 291599956 GDPPMWNRARFXOL-CYBMUJFWSA-N 248.713 2.762 30 20 BFED C=CCN(CCC#N)C(=O)c1cccc(C)c1C 293604776 AXWRQLWHAFGSNJ-UHFFFAOYSA-N 242.322 2.845 30 20 BFED CC#CCN(C)C(=O)C[C@H](C)c1ccc(F)cc1 294423173 FQTUYYOKZIADGZ-LBPRGKRZSA-N 247.313 2.801 30 20 BFED CN(CCCc1ccccc1)C(=O)C(C)(C)C#N 298882411 ZXXRCKYWAVYNON-UHFFFAOYSA-N 244.338 2.627 30 20 BFED Cc1nc(CNc2ncccc2C#N)sc1C 301412296 AOWHBVIOVQACKU-UHFFFAOYSA-N 244.323 2.639 30 20 BFED CC[C@@H](CC#N)Nc1nc(C2CC2)ns1 302150586 LLSVCJAVNOBIMA-QMMMGPOBSA-N 222.317 2.520 30 20 BFED CCCCCCCN1CC[C@@]2(CCNC2)C1 303620665 JJHIUSYHOVOCHP-CQSZACIVSA-N 224.392 2.642 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1ccon1 308814840 AIQQSIKVQQQBSE-DCAQKATOSA-N 208.305 2.926 30 20 BFED CCN(CCO[C@H](C)C#N)c1ccccc1F 310215545 IOJPVQBBNYQNSD-LLVKDONJSA-N 236.290 2.581 30 20 BFED CO[C@@](C)(CNc1cc(F)cc(C#N)c1)C1CC1 310811241 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C=C(CC)COC(=O)/C=C\c1scnc1C 777105086 XBESJKRSTTWFPS-WAYWQWQTSA-N 237.324 2.974 30 20 BFED C=CC[C@@H](N[C@@H](C)CCCCO)c1ccncc1 779065952 SQOAHEZTUYMKOS-DZGCQCFKSA-N 248.370 2.840 30 20 BFED CC(=NNc1ccc(C#N)cc1)[C@H]1CCCOC1 779774162 ZFXZKLJKIVEMQY-ZDUSSCGKSA-N 243.310 2.773 30 20 BFED CC[C@H](C(=O)NO)c1cccc(C(F)(F)F)c1 782171532 HVDIPWAVFUXDTE-VIFPVBQESA-N 247.216 2.704 30 20 BFED CC(C)CON=C1CCC(=O)Nc2ccccc21 783856607 FUHWAQASZGCFRB-UHFFFAOYSA-N 246.310 2.796 30 20 BFED C=C[C@@H]1CCCCN1C[C@@H](O)c1cccc(F)c1 785999554 VZJRLGOWSREJQJ-HUUCEWRRSA-N 249.329 2.900 30 20 BFED Cc1cccc(-c2ccc(C(N)=O)cc2)c1C#N 786042211 NEAHJPZXXFKOTE-UHFFFAOYSA-N 236.274 2.633 30 20 BFED CCC(Cc1ccc(C)cc1)=NN[C@H]1CCOC1 788438527 DMJOQLBYQCXNIX-HNNXBMFYSA-N 246.354 2.682 30 20 BFED C#CCCCCNC(=S)Nc1ccsc1 790319033 NMYKJYBVABETTB-UHFFFAOYSA-N 238.381 2.838 30 20 BFED C#C[C@H](CCC)NC(=O)N[C@H](C)[C@H](C)CC 791015553 FBRNXEUPUGLWQA-IJLUTSLNSA-N 224.348 2.522 30 20 BFED CCC(C=NNCCC(F)(F)F)CC 794544541 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30 20 BFED C#CC[C@@H](CCOC)N[C@@H]1CCCC(C)(C)C1 862547612 KTDZPIIDYDTEHN-UONOGXRCSA-N 237.387 2.973 30 20 BFED C=CC[C@H](C)NC(=O)N[C@H](C)c1ccccc1O 868268676 MFHRXQSBWHULDR-WDEREUQCSA-N 248.326 2.717 30 20 BFED C=C(Cl)CNCc1ccc(C)cc1O 877149231 JCZLDONRDFGZNQ-UHFFFAOYSA-N 211.692 2.543 30 20 BFED C=CC(C)(C)CC(=O)NC[C@H](OC)[C@@H](C)CC 880169958 BUWQNNIYSITMEG-RYUDHWBXSA-N 241.375 2.766 30 20 BFED C=C1CCC(C(=O)OCc2cc(C)n(C)n2)CC1 885650158 XMBFXMTXVHIUCE-UHFFFAOYSA-N 248.326 2.518 30 20 BFED Cc1cc(C#N)nc(N(C)Cc2ccoc2C)c1 891973284 RLHUNLQVWLUKER-UHFFFAOYSA-N 241.294 2.800 30 20 BFED C=CC(C)(C)CNc1cc(C)cc(C#N)n1 894055776 CYNNZSAZCJYXEO-UHFFFAOYSA-N 215.300 2.886 30 20 BFED C=CCC[C@@H](CC)NCCO[C@@H]1CCCCO1 894801713 YTMXIHXPFXSTFN-ZIAGYGMSSA-N 241.375 2.864 30 20 BFED C=C1CC(c2noc(/C=C\[C@@H]3CCOC3)n2)C1 896876152 DKOINSFLFVVIGM-MXQLGCADSA-N 232.283 2.553 30 20 BFED C=CC[C@@H](C)NC1CCC(CC(=O)O)CC1 902284543 YIFJPHRVXJRATE-VOMCLLRMSA-N 225.332 2.574 30 20 BFED 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C=C[C@H](COC)Nc1ccc([N+](=O)[O-])c(C)c1 1320299592 SFPVGZJHZONREI-SNVBAGLBSA-N 236.271 2.516 30 20 BFED CS[C@H]1CC[C@H](Nc2cccc(CC#N)n2)C1 1320359577 OUFKFFBUSRJMBJ-RYUDHWBXSA-N 247.367 2.844 30 20 BFED C=CCC[C@H]1CCCN1C(=O)CO[C@H](C)CC 1339036352 YQIGGXDTYRZUKL-OLZOCXBDSA-N 239.359 2.759 30 20 BFED C=CCn1c([C@H]2C[C@@H]2C)nnc1N(CC)C(C)C 1340312927 OULOVLJOLXPYME-RYUDHWBXSA-N 248.374 2.822 30 20 BFED CC#CCCCC(=O)NCCCc1ccsc1 1340996317 KXEAEMHCNKQPJT-UHFFFAOYSA-N 249.379 2.991 30 20 BFED CC1CC(OC(=O)c2ccc(C#N)cc2F)C1 1343678018 KUFJTXBAXORSMJ-UHFFFAOYSA-N 233.242 2.653 30 20 BFED C=C[C@H](CC)CC(=O)OC[C@@H]1C[C@@H]1OCC 1344598780 YFYFJAAUZXBLJW-WOPDTQHZSA-N 226.316 2.557 30 20 BFED N#CCC1CCN(c2cc(Cl)ccn2)CC1 1348084685 SHSCOPGHDGXTEB-UHFFFAOYSA-N 235.718 2.865 30 20 BFED C=C(CC)C(=O)Nc1ccc2c(c1)N(C)CC2 1348202302 FWXNQPDXIVVTBX-UHFFFAOYSA-N 230.311 2.584 30 20 BFED CC[C@H](CC#N)OC(=O)c1cc(C#N)ccc1C 1348316156 SJRDWTNHGOOKPA-GFCCVEGCSA-N 242.278 2.716 30 20 BFED N#Cc1ccnc(SCc2ccncc2F)c1 1559359680 PKLZIYYSJDDKIR-UHFFFAOYSA-N 245.282 2.780 30 20 BFED Cc1ccc(C#N)cc1NCc1ccc(O)nc1 1560497361 MSYKXHAZNXZHIR-UHFFFAOYSA-N 239.278 2.579 30 20 BFED C=CC(C)(C)CCCN[C@H]1C[C@@H](N)C1(C)C 1574872462 MNMLNYSWRDSILV-NEPJUHHUSA-N 224.392 2.694 30 20 BFED C=CC(C)(C)C(=O)Nc1ccc(C(=O)O)cc1C 1588672294 QSDRWLUAUBARQZ-UHFFFAOYSA-N 247.294 2.844 30 20 BFED CCNc1ccccc1CN1CC[C@@](F)(C#N)C1 1652206926 XBHMKSMXGWRIAO-CQSZACIVSA-N 247.317 2.556 30 20 BFED CC(C)(C)ON=C1CCc2cccc(C(=O)O)c21 1776052013 YJMAEJGNKCDSSF-UHFFFAOYSA-N 247.294 2.850 30 20 BFED C=C1CC(CN(C)Cc2ccc(C(=O)O)cc2)C1 1776144150 SQMVRARWQDCROW-UHFFFAOYSA-N 245.322 2.783 30 20 BFED C=CC[C@]1(C(=O)O)CCN([C@@H](C)CC(C)C)C1 1776157729 NWRUAMGWDQTWMP-JSGCOSHPSA-N 239.359 2.774 30 20 BFED C=CCCCCN1CCC[C@H]1[C@H](C)C(=O)O 1776174847 MMXAUFHUTQAAES-RYUDHWBXSA-N 225.332 2.528 30 20 BFED N#Cc1ccc(Sc2nccs2)nc1 40676762 LXGHOGYXZOEDHF-UHFFFAOYSA-N 219.294 2.561 30 20 BFED CCC(C#N)(CC)C(=O)N1CCCC[C@@H]1C 44764525 HHVJZQDFEADIAO-NSHDSACASA-N 222.332 2.717 30 20 BFED CC[C@@H](C#N)C(=O)N(C)Cc1ccccc1C 44824219 RRMIOYJSFMMYAR-LBPRGKRZSA-N 230.311 2.503 30 20 BFED C=CCN(CC=C)C(=O)CSCC(C)C 47077566 IJDBABLGPAHHDF-UHFFFAOYSA-N 227.373 2.576 30 20 BFED Cc1cccc(N(C)C(=O)C(C)(C)C#N)c1 49990546 HAQLRDCCBVMCTM-UHFFFAOYSA-N 216.284 2.508 30 20 BFED C=C(C)CN(CC)CC(=C)Br 52440640 FRWTXYLYIKUFKV-UHFFFAOYSA-N 218.138 2.793 30 20 BFED N#CCCCSc1nccc(C(F)(F)F)n1 68371936 PJOUVWRLQMLVTI-UHFFFAOYSA-N 247.245 2.891 30 20 BFED C=CCN(CCCCO)CC1CCCCC1 69859868 JPWHAFWNBVXSTK-UHFFFAOYSA-N 225.376 2.827 30 20 BFED CC[C@H]1C[C@@H](C)CN1CCCSCC#N 75021990 UMSWMGAOUZCAAR-NEPJUHHUSA-N 226.389 2.754 30 20 BFED CC[C@@H](C)C(=O)N[C@@H](C)c1cccc(C#N)c1 75266404 QFGJYIZSJFPLJC-MNOVXSKESA-N 230.311 2.782 30 20 BFED C=CCN(Cc1cccs1)C[C@H]1CCCO1 78968323 DIWGPKSIXFFORY-GFCCVEGCSA-N 237.368 2.915 30 20 BFED C=C(C)CN1CC[C@H](N(C)Cc2ccccc2)C1 81532310 YTKKTVPTJGTBDW-INIZCTEOSA-N 244.382 2.769 30 20 BFED CCc1ccc(NC(=O)C2(C#N)CCC2)cc1 83794884 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CC[C@@H](C)CN(CCC#N)Cc1ccccn1 122251346 TUPTVNWONUUFOO-CYBMUJFWSA-N 231.343 2.843 30 20 BFED N#Cc1ccc(CN2CCC3(CCC3)C2)s1 127154246 LUPZEVLARQKJTH-UHFFFAOYSA-N 232.352 2.996 30 20 BFED CC[C@H](CC#N)NC(=O)[C@@H](C)c1ccccc1 131992479 VRYZJADZLYXGQS-WCQYABFASA-N 230.311 2.599 30 20 BFED C[C@@H]1CCC[C@@H](N(C)c2ccc(C#N)nc2)C1 149352997 YEIMLVMRLMBTPJ-DGCLKSJQSA-N 229.327 2.968 30 20 BFED C=CCCCCCN(C)S(=O)(=O)CCCC 151685722 XBUWPCVUVDIHDJ-UHFFFAOYSA-N 247.404 2.795 30 20 BFED C=CCNC(=O)Nc1cccc(-c2ncco2)c1 152190097 MSGUTFTWGMMOPO-UHFFFAOYSA-N 243.266 2.649 30 20 BFED CCCN(Cc1ccc(C#N)o1)CC1CC1 154689612 PEZVWVFRJVGSHG-UHFFFAOYSA-N 218.300 2.773 30 20 BFED C=C[C@@H](C)NC(=O)c1sccc1-n1cccc1 155792789 RTJSHGZJLHFXOQ-SNVBAGLBSA-N 246.335 2.843 30 20 BFED C=CC[C@@H](C)NC(=O)N[C@@H](C)CC(C)C 156880342 WUWWUODDCXIBJR-MNOVXSKESA-N 212.337 2.685 30 20 BFED C=CCN(C)C(=O)c1cc(C)nn1C(CC)CC 161721399 LQYQFEJVPOSRGR-UHFFFAOYSA-N 249.358 2.811 30 20 BFED C=C(C)CCN1CCc2ccccc2[C@H]1C(=O)O 164461601 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189393739 MVTCGGXADGJZKH-UHFFFAOYSA-N 224.348 2.640 30 20 BFED C[C@@H](C#N)CNC(=O)Nc1ccsc1Cl 189412727 RHCIBOFAIKYUJI-LURJTMIESA-N 243.719 2.683 30 20 BFED C[C@@H](CO)CS[C@H](C)c1cccc(C#N)c1 189850613 XCDLPAFOOKQRLR-WDEREUQCSA-N 235.352 2.981 30 20 BFED C=CCCSCCCNC(=O)C1CCCC1 190954211 DNLHQDOOSAOMKB-UHFFFAOYSA-N 241.400 2.992 30 20 BFED C=CCCCCCN1CCOC[C@@H]1CC 193350167 DDVPQVWWHXUBQS-ZDUSSCGKSA-N 211.349 2.844 30 20 BFED CC(C)=CCOC(=O)c1ccccc1OCC#N 194393683 GZFBLYSKSAFVIC-UHFFFAOYSA-N 245.278 2.712 30 20 BFED Cc1cnc(CNc2cc(F)cc(C#N)c2)o1 231652117 QBDJSEFBOJOLAA-UHFFFAOYSA-N 231.230 2.606 30 20 BFED C[C@@H](NCCCCC(C)(C)C#N)[C@@H]1CCOC1 235192417 WQNZITRGVUIRGF-CHWSQXEVSA-N 238.375 2.721 30 20 BFED C#CCCCCC(=O)Nc1cccc(C(=O)O)c1 236453187 VKIGONYVFUIVAK-UHFFFAOYSA-N 245.278 2.517 30 20 BFED N#CCC1(COC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 246562479 MINGYJKUAOLWAI-SDDRHHMPSA-N 233.311 2.660 30 20 BFED C=CCC[C@H](O)CN1[C@H]2CCCC[C@@H]2C[C@H]1C 247375650 KVZBPXXHUHLTRS-KBXIAJHMSA-N 237.387 2.967 30 20 BFED C[C@H]1C[C@@H](C)CCN(Cc2cc(C#N)n(C)c2)C1 248899068 UWRLFFBYYMWTFM-STQMWFEESA-N 245.370 2.765 30 20 BFED O=C(/C=C\c1cncs1)c1cccc(O)c1 254970104 NAMZGXFIQSZLQB-PLNGDYQASA-N 231.276 2.745 30 20 BFED CCCN(CC)Cc1ccc(OCC#N)cc1 264546809 JXHJVCHEYXRXSN-UHFFFAOYSA-N 232.327 2.821 30 20 BFED C=CCN(C(=O)/C=C/c1ccccc1)C1CC1 271511158 LUVBTWPMBWGOAO-DHZHZOJOSA-N 227.307 2.877 30 20 BFED C#CCCNC(C)(C)c1ccc(F)c(F)c1 271734866 UEGJIOSEDBKSGJ-UHFFFAOYSA-N 223.266 2.813 30 20 BFED CCN(CC(F)F)c1cccc(F)c1C#N 273318953 OYBIMDXNIHABDA-UHFFFAOYSA-N 228.217 2.789 30 20 BFED C#CCN(C(=O)C[C@H](C)c1ccccc1)C1CC1 274090156 UMXCKVBGBUZFGE-ZDUSSCGKSA-N 241.334 2.804 30 20 BFED CC[C@@H](C)CC(=O)NCC#Cc1ccccc1 276599978 RJVLPHPEDVJHPE-CYBMUJFWSA-N 229.323 2.591 30 20 BFED C=CC[C@@H]1N(C(=O)c2cnc[nH]2)CCCC1(C)C 278516722 YFSLHXSIURNLOZ-LBPRGKRZSA-N 247.342 2.617 30 20 BFED CN(Cc1ccccc1)[C@H]1CC[C@@H](C#N)C1 278767685 YLEWJLPWVHEGLD-KGLIPLIRSA-N 214.312 2.811 30 20 BFED CC#CCCSc1nc2nccc(C)c2[nH]1 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C=CC(C)(C)CC(=O)OCCOC(C)(C)C 884649821 QEYNQTSFYVINRB-UHFFFAOYSA-N 228.332 2.947 30 20 BFED Cc1oc(C=NOC2CCCC2)cc1C(=O)O 901211005 VBOKMWIBQLYOLO-UHFFFAOYSA-N 237.255 2.579 30 20 BFED CCO[C@H]1CCCC(=NOCCSC)C1 905466531 DUGXTMTUPDRTJA-NSHDSACASA-N 231.361 2.701 30 20 BFED C=C[C@H](CC)CC(=O)OCc1cnsc1 906070071 OFZZVKWMNSMQNK-SECBINFHSA-N 225.313 2.789 30 20 BFED CCCCNN=C(C)c1ccc(F)cc1 915965875 FAGWJTHKRJUTAA-UHFFFAOYSA-N 208.280 2.939 30 20 BFED CC(C)(C)C#CC(=O)OCc1ccsc1 922791536 KFEQEGFLSIHARS-UHFFFAOYSA-N 222.309 2.841 30 20 BFED C[C@H](CC(C)(C)C#N)N[C@@H]1C[C@@H](C)N(C2CC2)C1 925242972 IKEJCTFKEHHTIH-JHJVBQTASA-N 249.402 2.530 30 20 BFED CCCCN(C)C(=O)Nc1sccc1C#N 931848890 PDFDXZQXYFIDMI-UHFFFAOYSA-N 237.328 2.884 30 20 BFED Cc1cccc(OCCN2CCC[C@@H](C#N)C2)c1 932165449 KKZPVDVEEDGIQO-AWEZNQCLSA-N 244.338 2.609 30 20 BFED C=C[C@H](CC)CC(=O)Nc1ccnc(OC)c1 936035981 GBRMUHAJEJCTMQ-SNVBAGLBSA-N 234.299 2.631 30 20 BFED C=CCN(C)C(=O)[C@@H]1Cc2ccc(C)cc2S1 1321479100 YCDDWPOUHJPWKQ-ZDUSSCGKSA-N 247.363 2.656 30 20 BFED C[C@@H](CNc1c(C#N)cccc1C#N)C1CC1 1324667670 LHOCQGMNEANWMM-JTQLQIEISA-N 225.295 2.888 30 20 BFED CC[C@H](C)N(CC)C(=O)c1ccc(C#N)cc1F 1336015428 JGPOAPJPHVHNTD-JTQLQIEISA-N 248.301 2.958 30 20 BFED C=CCn1cnnc1SCC1CC(C)C1 1336062676 LCAYRONSQBJKAY-UHFFFAOYSA-N 223.345 2.602 30 20 BFED C=C[C@H]1CCCCN1C(=O)CCC(=C)C 1336472000 KYXHMGCOAHXQQP-LBPRGKRZSA-N 207.317 2.910 30 20 BFED C=CCC[C@H]1CCCN1C(=O)N[C@@H](C)C=C 1343337778 VALBVAZCSDLKEO-RYUDHWBXSA-N 222.332 2.701 30 20 BFED C#C[C@H](OC(=O)[C@@H](F)CC)c1ccc(C)cc1 1345679706 FQHCIMLVGZWVHR-STQMWFEESA-N 234.270 2.961 30 20 BFED C=C(CC(C)C)C(=O)N[C@@H]1CCC[C@@H]1C 1348792511 AIHPLCPQJFKIAE-CMPLNLGQSA-N 209.333 2.894 30 20 BFED N#Cc1ccccc1SCCc1cn[nH]c1 1472990339 XGYHSUOVYWWWQO-UHFFFAOYSA-N 229.308 2.616 30 20 BFED C#Cc1ccc(NCC(CC)(CC)CCO)nc1 1515536923 HCLWXSYDPJSWRF-UHFFFAOYSA-N 246.354 2.664 30 20 BFED C=C[C@H](NC[C@H](c1ccccc1)C(C)C)C(=O)O 1588696249 NDTWHUMGGKTYSD-KBPBESRZSA-N 247.338 2.655 30 20 BFED Cc1cccc([C@H](C)Nc2cncc(C#N)n2)c1 1639685675 KEGGZISKQKPZCO-NSHDSACASA-N 238.294 2.830 30 20 BFED CC[C@@H](NN=C1CC(C)(C)CC[C@@H]1C)C(=O)O 1776066384 KQURDVCVKLAYLU-VHSXEESVSA-N 240.347 2.641 30 20 BFED CN(CCC#N)C(=O)c1cc2c(s1)CCCC2 19835253 CLOVUXSMGAHPHC-UHFFFAOYSA-N 248.351 2.613 30 20 BFED C[C@@H](NCC(C)(C)N(C)C)c1ccc(C#N)cc1 20125759 BENPBDONGCRRQI-GFCCVEGCSA-N 245.370 2.549 30 20 BFED C[C@H]1CCCN(CCOc2cccc(C#N)c2)C1 34673933 JTOUGVTWUQMXKS-ZDUSSCGKSA-N 244.338 2.669 30 20 BFED N#CCCNCc1csc(Br)c1 35250991 ULSXGPNQMAYQLV-UHFFFAOYSA-N 245.145 2.514 30 20 BFED C[C@H]1C[C@@H]1CNc1ccc(C#N)cc1[N+](=O)[O-] 49228387 NBBQGNLJDCEIOC-WCBMZHEXSA-N 231.255 2.534 30 20 BFED CC/N=C(/NCC)NC[C@H](CC)c1ccccc1 66244275 CCJACVXOTPJPLT-ZDUSSCGKSA-N 247.386 2.755 30 20 BFED N#Cc1ccc(N2CCC(F)CC2)c(F)c1 79031560 MAYGKGOTICRTOJ-UHFFFAOYSA-N 222.238 2.636 30 20 BFED C[C@@H](C#N)CNCc1cccc2c1OC(C)(C)C2 80509192 PKEAERVAECJOQB-NSHDSACASA-N 244.338 2.649 30 20 BFED CC[C@H](C#N)OC(=O)/C=C/C1CCCCC1 84713483 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30 20 BFED C#CCCOC(=O)c1cc(F)c(Cl)cc1F 153671910 HEKKDUSRKREIEU-UHFFFAOYSA-N 244.624 2.798 30 20 BFED C=C[C@H](C)NC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2 153945727 PTOIITAAAKUKOF-IRCOFANPSA-N 207.317 2.503 30 20 BFED C#CCCCCNC(=O)N1C[C@H]2CCCC[C@H]2C1 155050170 XWZVDJXDASJIQQ-OKILXGFUSA-N 248.370 2.622 30 20 BFED CC#CCCN(C)Cc1ccccc1OCC 155131444 KJRMDNZXCCOLCS-UHFFFAOYSA-N 231.339 2.931 30 20 BFED C=CCN(CC=C)C(=O)c1cccc(C)c1F 155438461 LDZJQUQUVBWSLU-UHFFFAOYSA-N 233.286 2.948 30 20 BFED C=C(C)CNC(=O)NCc1cc2ccccc2o1 156412655 CKZMADQAHAMSIY-UHFFFAOYSA-N 244.294 2.808 30 20 BFED CC#CCCN1CCC[C@@H]1c1cccc(C)n1 156477012 MIAKZKDKDAFWHU-OAHLLOKOSA-N 228.339 2.940 30 20 BFED C#CCCCOc1cccc(C(C)=O)c1 161061965 HIDVLDMLAGWIRJ-UHFFFAOYSA-N 202.253 2.681 30 20 BFED CCCCCCCC(=O)N[C@@H]1CCC[C@H](N)C1 162250286 FXRVTVFYFYDPHN-QWHCGFSZSA-N 240.391 2.733 30 20 BFED C#CCOCCC(=O)O[C@@H](C)c1ccc(C)cc1 165821542 XOGFHQXWSVPWKZ-ZDUSSCGKSA-N 246.306 2.639 30 20 BFED N#CCc1c(Cl)ccc([N+](=O)[O-])c1Cl 165839408 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30 20 BFED CSc1ccc(NCc2ccc(C#N)o2)nc1 150878719 NFHSOTAOZJLRTP-UHFFFAOYSA-N 245.307 2.880 30 20 BFED N#Cc1ccc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 153254580 NNBZLOGFFKMAKQ-KFWWJZLASA-N 242.322 2.928 30 20 BFED CC[C@@H](CC#N)NC(=O)Nc1ccccc1C 155387305 DCQTYAMVRCWGMC-NSHDSACASA-N 231.299 2.809 30 20 BFED C=CCCC(=O)N[C@H]1COc2ccc(C)cc21 155921908 VVEDBHNAYALFPT-LBPRGKRZSA-N 231.295 2.511 30 20 BFED CC#CCCN1CCc2c(F)ccc(F)c2C1 156006001 ZGHFJSWWADYMFN-UHFFFAOYSA-N 235.277 2.736 30 20 BFED CC#CCCN(C)c1ccc(OC)c(F)c1 156054042 DYRYMENEPGWGGQ-UHFFFAOYSA-N 221.275 2.684 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccnc(Cl)c1F 160651030 WUMQGKWLBXXLOV-SSDOTTSWSA-N 242.681 2.569 30 20 BFED C=CCN(C)C(=O)[C@H](C)Cc1ccc(OC)cc1 161407992 YREWTMDKUSUILQ-GFCCVEGCSA-N 247.338 2.518 30 20 BFED C=CCCCNc1cccc(Cl)c1C(N)=O 172941401 MWOHTSVXXMSRBD-UHFFFAOYSA-N 238.718 2.817 30 20 BFED C=CCOCCCC(=O)N[C@H]1CCCC[C@H]1C 173057585 GSFPFNOFNMVVLC-OLZOCXBDSA-N 239.359 2.664 30 20 BFED C=CCNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 174975900 PVRJOHVNSPCKOL-GOEBONIOSA-N 241.334 2.583 30 20 BFED CC[C@@H](C#N)OC(=O)/C=C(\C)c1ccccc1 176000972 UAMHKZVBBKWCSX-STRFDMGBSA-N 229.279 2.935 30 20 BFED N#C[C@H](NC(=O)C[C@H]1C=CCC1)C1CCCCC1 176610683 FVHOLMUOKWAWKM-JSGCOSHPSA-N 246.354 2.931 30 20 BFED C=CC[C@@H](C)[C@@H](C)NCCOCC(=C)C 181343973 IKTZRBAYPVKSHE-CHWSQXEVSA-N 211.349 2.769 30 20 BFED CC[C@H](C)[C@@H](C)NCCOc1ccccc1C#N 183064779 JMZXJYGUVKKHSH-QWHCGFSZSA-N 246.354 2.961 30 20 BFED C[C@@H]1CC[C@@H](COc2cccc(F)c2C#N)O1 188533812 XYVLALZMQIZMLE-ZJUUUORDSA-N 235.258 2.644 30 20 BFED C#CCCCC(=O)Nc1ccc(F)c(F)c1 192046109 NFWZOJUVMKUGLT-UHFFFAOYSA-N 223.222 2.707 30 20 BFED C#CCN(C)Cc1ncc(-c2ccc(F)cc2)o1 192222290 BVWUHBJYERDOLO-UHFFFAOYSA-N 244.269 2.546 30 20 BFED Cc1ccc(CNC[C@H](C)C#N)cc1Cl 193735648 LUNBIZWCMUSYFW-SECBINFHSA-N 222.719 2.898 30 20 BFED C=CCCCCCN1CC[C@@H](C)[C@H]1C(=O)O 204518063 AIWAOELMAHRULS-NEPJUHHUSA-N 225.332 2.528 30 20 BFED N#Cc1cc(F)cc(NC[C@H]2CCCOC2)c1 227614438 XUWBNRBMLMBEJP-SNVBAGLBSA-N 234.274 2.536 30 20 BFED C=C[C@@H](C)Nc1nc(C(F)(F)F)ns1 228785037 BFRJGOXHKYWCFO-SCSAIBSYSA-N 223.223 2.543 30 20 BFED COC[C@@H](NCC(C)(C)CCC#N)C(C)C 229697107 HFMYJUXYQSPGSP-GFCCVEGCSA-N 226.364 2.577 30 20 BFED CC1(C(=O)N[C@H]2CCC[C@@H]2C#N)CCCCC1 232228527 JUOSLEOHESQUEV-NEPJUHHUSA-N 234.343 2.765 30 20 BFED CC(=NOCc1ccccc1)c1ccc[nH]1 254708707 VGBJBSPGIQMQSP-UHFFFAOYSA-N 214.268 2.956 30 20 BFED Cc1noc(C)c1/C=C\C(=O)c1ccco1 255833115 UFUGDCQCFOOTOT-WAYWQWQTSA-N 217.224 2.781 30 20 BFED N#CCCCCN1CCO[C@@H](c2ccccc2)C1 263812267 NFYPLVVXHTWPTQ-OAHLLOKOSA-N 244.338 2.754 30 20 BFED C[C@@H]1CCN(c2ccc(C#N)cc2F)[C@@H]1C 267686966 QBUZNELHEWPVCF-NXEZZACHSA-N 218.275 2.932 30 20 BFED CCCCC(=O)NC1(c2cccc(C#N)c2)CC1 269614157 NPZITEVKRNFXJN-UHFFFAOYSA-N 242.322 2.854 30 20 BFED C=CCCNC1(c2cccc(C#N)c2)CC1 271781638 LQSJPZWUPKFBOQ-UHFFFAOYSA-N 212.296 2.713 30 20 BFED C[C@H](NCCCC#N)c1ccc(Cl)nc1 273290148 RZZMCKGMLWYACB-VIFPVBQESA-N 223.707 2.689 30 20 BFED C=CCCN(C)[C@H](C)c1nc(C2CC2)no1 276448077 PHBNHBGMCFYPTC-SECBINFHSA-N 221.304 2.516 30 20 BFED Cc1ccc(C#N)c(N2CCS[C@@H](C)CC2)n1 276984456 ZAGKPGLSRVRFSF-NSHDSACASA-N 247.367 2.594 30 20 BFED C=CCCCNC(=O)c1noc2c1CCCCC2 279175188 HRDCAIHVCYNCCJ-UHFFFAOYSA-N 248.326 2.640 30 20 BFED Cc1cc[nH]c1C(=O)N[C@H](C#N)C1CCCCC1 280658777 OXHNXLPDPSXRDI-GFCCVEGCSA-N 245.326 2.525 30 20 BFED Cc1cccc(C)c1NC(=O)N1CC(C)(C#N)C1 281020709 SENDVZPOZZYPPF-UHFFFAOYSA-N 243.310 2.681 30 20 BFED C=CC[C@H](CC)NC(=O)/C=C/c1ccco1 281124369 SNIZBZNBFWHNJD-FBOQAHMBSA-N 219.284 2.764 30 20 BFED CCc1cc(C#N)ccc1OCc1ncc(C)o1 282490050 UOXSGJSWRMHRQG-UHFFFAOYSA-N 242.278 2.996 30 20 BFED CC#CC(=O)N[C@H](c1ccccc1C)C1CC1 283152305 JKANDIJOJLFBJG-HNNXBMFYSA-N 227.307 2.586 30 20 BFED C=CCN(C(=O)[C@@H]1CC=CC[C@H]1C)C1CC1 284213878 NDUBHAIVZFITCZ-DGCLKSJQSA-N 219.328 2.766 30 20 BFED C=C(C)CCNc1ccccc1C(=O)NCC 288651888 FIGFEIJIIBBCTJ-UHFFFAOYSA-N 232.327 2.814 30 20 BFED C[C@H](N[C@H](C)CCC#N)c1cccc([N+](=O)[O-])c1 299697170 OMNVHKOCNKGOER-MNOVXSKESA-N 247.298 2.938 30 20 BFED C=CCCCCNc1nc(OC)ncc1Cl 302235388 FDRGTTVNRZSRJS-UHFFFAOYSA-N 241.722 2.907 30 20 BFED CCC(C)(C)OCCNc1cccc(C#N)n1 308514207 RSCFOPGEQGLRSX-UHFFFAOYSA-N 233.315 2.570 30 20 BFED CC(C)SCCNCc1cc(C#N)cs1 308839118 XNBCLFSVCRIZHL-UHFFFAOYSA-N 240.397 2.851 30 20 BFED C=C(C)C/N=C(/O)Nc1sc(CC)nc1C 331208947 WEHVWJMTECHONX-UHFFFAOYSA-N 239.344 2.916 30 20 BFED CCc1nc(C)c(/C(O)=N/[C@@H](CC)C(F)F)o1 331343658 UJSYIVHYYXNLSM-ZETCQYMHSA-N 246.257 2.894 30 20 BFED CC[C@](C)(C#N)C(=O)N1CCCC[C@@H](C)C1 334142000 LDOWKYCQCHUAHC-DGCLKSJQSA-N 222.332 2.575 30 20 BFED C[C@H](Nc1ccc(F)cc1C#N)[C@@H]1CCCOC1 334224367 AHFFPEAUUNIIGJ-WDEREUQCSA-N 248.301 2.924 30 20 BFED C=C(CC)CN1CCC[C@@]2(CCCCO2)[C@H]1C#N 335243778 DYLNISSRIZYMOH-CABCVRRESA-N 248.370 2.880 30 20 BFED N#CCc1ccccc1NC(=O)C1=CCCC1 335324752 AABAJUGDXYTKFO-UHFFFAOYSA-N 226.279 2.801 30 20 BFED C=C(C)CCNC(=O)N1CC[C@@H]2CCCC[C@@H]21 335469677 JPOVQDYKZKXVBZ-STQMWFEESA-N 236.359 2.927 30 20 BFED N#CC1(CN2CC[C@@H](C3CCCC3)C2)CC1 335502187 INIQWGQALANDLQ-CYBMUJFWSA-N 218.344 2.802 30 20 BFED CCc1c(C(=O)N[C@@H](C)C#N)oc2ccccc12 335576682 HZKGNNOLXYMSRR-VIFPVBQESA-N 242.278 2.637 30 20 BFED CC(C)(C#N)CC(=O)Nc1cccc2ocnc12 335934142 JPUIKSFGSNHAAH-UHFFFAOYSA-N 243.266 2.706 30 20 BFED C[C@@H]1CN(CCC(C)(C)C#N)CCC1(F)F 336005714 OCAIQMXWZUGYMR-SNVBAGLBSA-N 230.302 2.903 30 20 BFED CC(C)C1CCC(NC(=O)[C@@]2(C#N)C[C@@H]2C)CC1 336193379 OTHCJDVCKBRBSW-LFUGVXIPSA-N 248.370 2.867 30 20 BFED Cc1ccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)cc1F 336233126 OYTAGMLKQIJSLJ-TVQRCGJNSA-N 232.258 2.622 30 20 BFED N#Cc1cccc(SCc2cn[nH]c2)c1 336292661 HXJMDQAEFWJHMM-UHFFFAOYSA-N 215.281 2.574 30 20 BFED C[C@@H]1CCC[C@@H]1CC(=O)N1CCC(C)(C#N)CC1 336425869 OFCNWACXXXKOLW-CHWSQXEVSA-N 248.370 2.965 30 20 BFED Cc1ccc2sc(C(=O)NCCC#N)cc2c1 336562235 HDCODKFHXJEIJD-UHFFFAOYSA-N 244.319 2.853 30 20 BFED CC#CCCNCc1ccc(C)c(OC)c1 336673629 HXMINTHVTUURTF-UHFFFAOYSA-N 217.312 2.507 30 20 BFED CC(C)=CCN1CCc2ccc(C#N)cc21 339831187 NDXOCOCUHFQCCM-UHFFFAOYSA-N 212.296 2.887 30 20 BFED C=CCC(C)(C)CN[C@@H](C)[C@H]1CCCOC1 340429351 KCCQLYPXOWEWHQ-STQMWFEESA-N 225.376 2.993 30 20 BFED C[C@@H](NCc1cccc(C#N)c1)[C@]1(C)CCCO1 340473104 IAHXMOHHXLSKCD-DOMZBBRYSA-N 244.338 2.605 30 20 BFED C=CCC(C)(C)c1noc(-c2cncnc2C)n1 340791891 DDWKPFYWJMTRCJ-UHFFFAOYSA-N 244.298 2.689 30 20 BFED CC(C)(CCC#N)CNCc1cncc(F)c1 342298044 LGZLEUYLDPEOHL-UHFFFAOYSA-N 235.306 2.640 30 20 BFED C=CCCCCCN(C)CC1(O)CCC1 342372797 JPNRPZOVJMLDAF-UHFFFAOYSA-N 211.349 2.580 30 20 BFED C=CCNC(=O)[C@H](C)SCC/C=C\CC 343445782 PJMCTVHWMDUJRG-ZADCQDASSA-N 227.373 2.767 30 20 BFED C[C@H]1[C@H](Nc2ccc(C#N)cc2F)CCCN1C 343540045 RQNXEGTUWRZVFG-GXFFZTMASA-N 247.317 2.592 30 20 BFED C=C(C)CN(CC)C(=O)[C@H](CC)N(CC)CC 345573706 UOCFTEFFCLOQMC-ZDUSSCGKSA-N 240.391 2.531 30 20 BFED CC(C)[C@H](C)N(C(=O)NCCCC#N)C1CC1 345819071 RVHXUPIQFNWDMB-NSHDSACASA-N 237.347 2.509 30 20 BFED C=CCn1c(-c2ccoc2)nnc1N(CC)CC 350729338 KJJCJRHOWCQOIS-UHFFFAOYSA-N 246.314 2.570 30 20 BFED CC[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)OC 353536328 AGNZRXHEWUGUNU-UKRRQHHQSA-N 244.338 2.560 30 20 BFED C=CC[C@H](C)N[C@@H](CC)C1(C(=O)OC)CCC1 354033629 CCGYFIFUOXBYSZ-RYUDHWBXSA-N 239.359 2.663 30 20 BFED CC(C)(C)NC(=O)C[C@@H](CC#N)c1ccccc1 354125059 PYUCKAKAWABKIR-CYBMUJFWSA-N 244.338 2.989 30 20 BFED C=CCCCN=c1ccn(-c2ccccc2)[nH]1 354326312 XIXPSMMKLJSCCI-UHFFFAOYSA-N 227.311 2.672 30 20 BFED C=CCC(C)(C)C(=O)N(C)C1CC(OCC)C1 354887556 QSEPALKKXBXWBK-UHFFFAOYSA-N 239.359 2.615 30 20 BFED C=CCCC1(C(=O)N2CC[C@H](C)C2)CC1 355439960 GLWSNRBHKCLEBR-NSHDSACASA-N 207.317 2.601 30 20 BFED CC(C)[C@H](CNC(=O)[C@@H](C)C#N)c1ccccc1 357843802 YDLLCVUJZOYOIZ-JSGCOSHPSA-N 244.338 2.702 30 20 BFED Cc1ccccc1O[C@H]1CCCC[C@@H]1NCC#N 362012457 HDMAOYXOPXCBOJ-ZFWWWQNUSA-N 244.338 2.798 30 20 BFED CC#CCN[C@@H](c1ccccc1)C1CCOCC1 371547685 WFAPZYSJMKJENH-INIZCTEOSA-N 243.350 2.767 30 20 BFED C=CCCCC(=O)N1CCCC[C@H](COC)C1 375146466 YZVJBFGNIPPNDE-ZDUSSCGKSA-N 239.359 2.618 30 20 BFED C=C(C)CCNCc1cccc2c1OCCCO2 386765933 JKRJMVHTEIWHFA-UHFFFAOYSA-N 247.338 2.904 30 20 BFED CC[C@@H]1COC(C)(C)CN1CCC(C)(C)C#N 403780939 AJSVNFZFTVZOHH-GFCCVEGCSA-N 238.375 2.816 30 20 BFED CCCN(CC(F)F)[C@H]1CC[C@H](C#N)C1 411228663 RKYRQOGXXNTBRI-UWVGGRQHSA-N 216.275 2.656 30 20 BFED CC(C)(C)OC1CC(NCC2(C#N)CCC2)C1 418144930 VVMBGJGACAVWJE-UHFFFAOYSA-N 236.359 2.616 30 20 BFED N#CC1(CSCCOCC2CCC2)CC1 419657819 YQNDILBXRHIDGG-UHFFFAOYSA-N 225.357 2.840 30 20 BFED Cc1nn(C(C)C)cc1CN[C@@H]1CC[C@H](C#N)C1 424194549 BGAHFQNOUZGSAA-GXTWGEPZSA-N 246.358 2.554 30 20 BFED CC(C)(C)CNc1c(C#N)cccc1[N+](=O)[O-] 425214824 KOHTUZFLIVZRQE-UHFFFAOYSA-N 233.271 2.924 30 20 BFED C=CCC(C)(C)CNC(=O)N(C)CCSC 432557282 LCATWHZCVHRJQL-UHFFFAOYSA-N 244.404 2.593 30 20 BFED C=CC[C@H]1N(CCC#N)CCCC1(C)C 444790110 HMYBCAPPOWLFLB-GFCCVEGCSA-N 206.333 2.967 30 20 BFED C=CCSCCNC(=O)[C@]1(C)CCC[C@@H]1C 448819143 TWUREGONRAMGBO-WCQYABFASA-N 241.400 2.848 30 20 BFED C[C@H](O)CCSc1ccc(C#N)cc1F 450845598 KHTNNBGCMOSDMX-QMMMGPOBSA-N 225.288 2.560 30 20 BFED C=CCC(C)(C)C(=O)NC[C@@H](OC)[C@H](C)CC 452422426 KRCNNJPRKUDZSA-VXGBXAGGSA-N 241.375 2.766 30 20 BFED C=C(C)CCNC(=O)CCC(=O)c1ccccc1 452726454 VBTVIAFBOSKIOF-UHFFFAOYSA-N 245.322 2.732 30 20 BFED C=C(C)CCNC(=O)N[C@H](CC)CCC 454391346 BESQMBSMXUXPTF-LLVKDONJSA-N 212.337 2.831 30 20 BFED C=CCC[C@H](CO)NC(=O)[C@@H](C)C(CC)CC 456769718 QSYJCNFGEUBLKD-WCQYABFASA-N 241.375 2.502 30 20 BFED C#C[C@@H](C)N(C)C(=O)Nc1cc(C)cc(F)c1 491326219 LBSLYEYDJLOSGY-SNVBAGLBSA-N 234.274 2.620 30 20 BFED C#CCN(C(=O)[C@@H]1CCC[C@@H]1CCC)C1CC1 491774733 AUVHBSJZYNEYFO-GXTWGEPZSA-N 233.355 2.827 30 20 BFED C#C[C@@H](C)N(C)C(=O)Cc1ccc(C)cc1Cl 491780963 FOKNYHZGTMUAML-LLVKDONJSA-N 249.741 2.671 30 20 BFED C=CCN(Cc1ccc(Cl)cn1)C1CC1 554500933 VYXUFYXVJYQZJW-UHFFFAOYSA-N 222.719 2.885 30 20 BFED Cc1oc(C(C)C)cc1C(=O)NCC1(C#N)CC1 560705618 BNTMKZKXBIUCMA-UHFFFAOYSA-N 246.310 2.745 30 20 BFED N#CC1(CSCc2noc(C3CC3)n2)CCC1 565706991 FKHANZPTHHLFBJ-UHFFFAOYSA-N 249.339 2.874 30 20 BFED CC[C@H](CC#N)NCCc1ccc(C)cc1 567176651 LHCPTFXRQYCMOT-CQSZACIVSA-N 216.328 2.819 30 20 BFED Cc1cc(CCNCCC#N)ccc1Cl 568751980 DXMOOICLNXORLW-UHFFFAOYSA-N 222.719 2.694 30 20 BFED N#CCCn1ccnc1C(=O)C1CCCCC1 570397894 VPSWXXQJHOQJJZ-UHFFFAOYSA-N 231.299 2.560 30 20 BFED C=CCCCCN1CC[C@H](c2nccn2C)C1 580208691 JWRUPXFCFMJYKW-ZDUSSCGKSA-N 233.359 2.566 30 20 BFED CN(Cc1ccc(C#N)cn1)c1ccc(F)cc1 584448648 UKTMGMGKLUQIHM-UHFFFAOYSA-N 241.269 2.729 30 20 BFED N#C[C@@H]1CC[C@H](Sc2nnc3ccccn23)C1 590711064 AWFCXSOSABTWGX-ZJUUUORDSA-N 244.323 2.514 30 20 BFED CC[C@H](C#N)C(=O)N(CC)Cc1ccc(C)cc1 593399992 MMAHNFACBKQJDD-CQSZACIVSA-N 244.338 2.893 30 20 BFED CCC[C@@]1(C)CCCN(C(=O)[C@@H](C#N)CC)C1 593496426 QBIUHJVTYVZXRI-OCCSQVGLSA-N 236.359 2.965 30 20 BFED CC[C@H](C#N)N(C)C(=O)CCc1ccc(F)cc1 594097983 QSUOHBVPTVPIOS-CYBMUJFWSA-N 248.301 2.519 30 20 BFED CCN(Cc1cccc2cccnc12)[C@H](C)C#N 595813855 PFCBXVCODYJIIH-GFCCVEGCSA-N 239.322 2.969 30 20 BFED CC1(C)C[C@@H]1NC(=O)CC1(C#N)CCCCC1 596892457 VZFZFURXNXCFMO-NSHDSACASA-N 234.343 2.765 30 20 BFED C=CCCC(=O)NCCC1(CSC)CC1 597985271 SPSYYTBZBBUSJG-UHFFFAOYSA-N 227.373 2.602 30 20 BFED C=CC[C@H]1CCCN(C(=O)[C@@H](C)SC)C1 598000116 ZBMVRDGLCAZCFK-MNOVXSKESA-N 227.373 2.553 30 20 BFED CC[C@H](C#N)SCC(=O)c1ccccc1 601085049 LXALRRDIPKDURO-LLVKDONJSA-N 219.309 2.905 30 20 BFED N#Cc1n[nH]cc1NC(=O)CC1CCCCCC1 602358049 GGUJEPBYGUFUOU-UHFFFAOYSA-N 246.314 2.580 30 20 BFED C[C@@H]1C[C@@H]1CN[C@@H]1CCc2cc(C#N)ccc21 618831441 SBRZDWPCSGOJJA-WDBKCZKBSA-N 226.323 2.791 30 20 BFED N#CCN(Cc1cc2ccccc2[nH]1)C1CC1 619068800 KLOAIFAYPGMKBC-UHFFFAOYSA-N 225.295 2.656 30 20 BFED C=CCN(C(=O)[C@@H]1O[C@@H](C)C[C@H]1C)C(C)(C)C 622945011 OWZADAWQJSPQIM-GRYCIOLGSA-N 239.359 2.613 30 20 BFED C=CCC(C)(C)C(=O)Nc1ccc2nccn2c1 645406685 PXLPKACRSFECNV-UHFFFAOYSA-N 243.310 2.875 30 20 BFED C=CC[C@@H](CC)NCc1ccnn1CC(C)C 647208368 MPYPARJSHBCIFM-CYBMUJFWSA-N 235.375 2.983 30 20 BFED C=C(CC)CNC(=O)c1ccc(C)cc1OC 654373093 ASIPTIBGZPVSQZ-UHFFFAOYSA-N 233.311 2.700 30 20 BFED C=CCCNC(=O)NCC(C)(C)C(C)C 661052017 SGPWWBXLYHITLF-UHFFFAOYSA-N 212.337 2.544 30 20 BFED C=C(C)CN(C)c1nnc(CC)n1CC(C)C 670284450 MGEFNNOBSSDRCL-UHFFFAOYSA-N 236.363 2.509 30 20 BFED C=C[C@H](C)NC(=O)c1cc2occc2s1 674952201 VWDVFXUVKFZOJT-ZETCQYMHSA-N 221.281 2.799 30 20 BFED COCC#CCN1CC[C@H](C)[C@@H]2CCCC[C@H]21 677817630 SGSIXPVVKUPVEE-SOUVJXGZSA-N 235.371 2.537 30 20 BFED C=CC1CCN(Cc2n[nH]c3ccccc23)CC1 678260038 PYGGHNYRKOLJEF-UHFFFAOYSA-N 241.338 2.961 30 20 BFED C=CCN(C(=O)Nc1ccc(C)nc1)C1CC1 678537760 KXUOEDSETVYFAY-UHFFFAOYSA-N 231.299 2.572 30 20 BFED CCC#C[C@@H](C)N1CCS[C@@H](C)CC1 683145965 SVGYRIKXEUSSJG-NEPJUHHUSA-N 211.374 2.616 30 20 BFED C#CCSCCNC1CCC(F)(F)CC1 688340619 KJVTYWGQDFOABA-UHFFFAOYSA-N 233.327 2.520 30 20 BFED C=CCCC(C)(C)NC(=O)c1ccc(N)cc1 717899011 JIRZXYCAZWBGHW-UHFFFAOYSA-N 232.327 2.743 30 20 BFED C[C@@H](CC(=O)OCC#N)C1CCCCC1 725971142 DKYDTSZLLWOWJZ-JTQLQIEISA-N 209.289 2.660 30 20 BFED C#Cc1cccc(N(C)C(=O)/C=C\CCC)c1 729371796 JWUNIZMIQJNNCA-XFFZJAGNSA-N 227.307 2.987 30 20 BFED CC(Cc1ccsc1)=NNc1cccnn1 735974691 LKNMJRFMHNDLSH-UHFFFAOYSA-N 232.312 2.569 30 20 BFED N#CCCCCOC(=O)[C@H]1Cc2ccccc21 744138778 FKHRNFMCRAUVLT-ZDUSSCGKSA-N 229.279 2.563 30 20 BFED CC#CCOC(=O)C[C@H](C)c1ccc(F)cc1 745023205 YYANGUMACNOMKJ-NSHDSACASA-N 234.270 2.886 30 20 BFED CC(C)CON=Cc1ccc(F)c(F)c1 749632133 VMFYBYRZXIQWQC-UHFFFAOYSA-N 213.227 2.971 30 20 BFED C#CCCSc1ncnc2ccsc12 751767716 AJVVKMAIYDQABJ-UHFFFAOYSA-N 220.322 2.807 30 20 BFED CCC[C@H](C#N)NC(=O)/C=C1\CC[C@@H](C)C1 753603732 YUCKDTJXPYVTAI-ZDMKUBQJSA-N 220.316 2.541 30 20 BFED C#CC(=O)N1CCCCC[C@@H]1c1ccccc1 753964405 ORYKWWIHDAHVPB-CQSZACIVSA-N 227.307 2.764 30 20 BFED CC(CC1CC1)=NNC(=S)NCCC(C)C 756824442 RPFWIIINMPXKCE-UHFFFAOYSA-N 241.404 2.673 30 20 BFED C#CCNC(=S)N(CC)c1cccc(C)c1C 758214252 KNCPVJOOPULEGE-UHFFFAOYSA-N 246.379 2.637 30 20 BFED C[C@@H]1C[C@@H]1C=NNc1cnc2ccccc2n1 758375735 YRJXSMQHUDAALL-NXEZZACHSA-N 226.283 2.684 30 20 BFED CC#CCCOC(=O)c1cccc2c1ccn2C 760291886 LKGYENWZRYTQSN-UHFFFAOYSA-N 241.290 2.749 30 20 BFED CCC(CC)(CC)C(=O)N1CCC(C#N)CC1 760472003 SDPICYFMLWIIBV-UHFFFAOYSA-N 236.359 2.965 30 20 BFED C(=NO[C@@H]1CCCCO1)[C@H]1C[C@H]2CC[C@H]1C2 762435023 ZTHOZBPWIKIRBS-WUHRBBMRSA-N 223.316 2.952 30 20 BFED C[C@@H](OC(=O)c1ccccc1OCC#N)C1CC1 764383885 WDEXWJUJMSTFQN-SNVBAGLBSA-N 245.278 2.544 30 20 BFED C#C[C@@H](C)N(C)C(=O)c1sccc1C(C)C 767257653 ILKCQDAUQOTBCO-SNVBAGLBSA-N 235.352 2.965 30 20 BFED C[C@@H]1CCC[C@H](COC(=O)c2cc(C#N)c[nH]2)C1 771004077 RMUULDGZQGSNNR-MNOVXSKESA-N 246.310 2.869 30 20 BFED CC(Cc1ccccc1C)=NNC[C@@H](C)C#N 771105508 ZWFFCUOGDDZRTM-NSHDSACASA-N 229.327 2.663 30 20 BFED C=C[C@@H](C)NC(=O)c1cc(C)c(OC)c(C)c1 773314316 MFXNWMMCGLKWIF-LLVKDONJSA-N 233.311 2.616 30 20 BFED C=CCCCN1CCOc2cc(N(C)C)ccc21 774751491 FMRLORSMYGDKPW-UHFFFAOYSA-N 246.354 2.918 30 20 BFED C#C[C@H](N[C@H](C)CCC=C(C)C)[C@H]1CCCO1 775573406 YFYQWNYSOGKKOI-QLFBSQMISA-N 235.371 2.892 30 20 BFED N#CC1(COC(=O)c2ccc3cc[nH]c3c2)CC1 775850822 LPBKIRUMDFMPMJ-UHFFFAOYSA-N 240.262 2.628 30 20 BFED 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C=CCC1(C(=O)OCC2CCOCC2)CCC1 791559880 CAFQHOPTTGAXIR-UHFFFAOYSA-N 238.327 2.703 30 20 BFED C[C@@H](NN=C1CCn2cccc21)C(C)(C)C 793117344 XEGZGITUVGCXSC-SNVBAGLBSA-N 219.332 2.620 30 20 BFED C[C@@H]1COCCC1=NNc1ncccc1Cl 794495258 CNCNNLIXXGFZJM-MRVPVSSYSA-N 239.706 2.559 30 20 BFED Cn1cc2c(n1)CCCC2=NOC1CCCCC1 794535054 FGTLTPWJNNCZBU-UHFFFAOYSA-N 247.342 2.810 30 20 BFED C(=NNc1ccccn1)[C@@H]1CCCSC1 794870267 KBHBNUCEYANHIP-JTQLQIEISA-N 221.329 2.623 30 20 BFED CCC1(C)CCC(=NN(C)CCOC)CC1 794967017 ZHDWMRRVTVPGLZ-UHFFFAOYSA-N 226.364 2.911 30 20 BFED COCCN(C)N=Cc1c(C)cc(C)cc1C 794973034 AYHBAHFOGFDJCA-UHFFFAOYSA-N 234.343 2.524 30 20 BFED C=C[C@@](C)(CC)C(=O)OCC(=O)C1(C)CC1 795607716 VPJXORPXGGFCAI-LBPRGKRZSA-N 224.300 2.501 30 20 BFED C=C(Cl)COC(=O)[C@@H]1Cc2ccc(F)cc21 796069088 SUTRNQOPJHCYHM-LLVKDONJSA-N 240.661 2.761 30 20 BFED C#CCCOC(=O)c1ccc(C(F)(F)F)s1 796857111 ZONYDDGKYJPVIM-UHFFFAOYSA-N 248.225 2.947 30 20 BFED C#CCSc1nc(C)c(C)n1CC(C)C 797762700 WGWCENAWJIFCRA-UHFFFAOYSA-N 222.357 2.881 30 20 BFED N#Cc1ccc(CN[C@H]2CC[C@H]2C2CC2)cc1 797906086 VUDAHHSVJXWAAH-GJZGRUSLSA-N 226.323 2.836 30 20 BFED C=C[C@H](OC(=O)c1ccc(C)nc1O)C(C)(C)C 798901562 BRIWXUAQQRLVDU-NSHDSACASA-N 249.310 2.853 30 20 BFED C#C[C@@H](NC(=O)c1cc2ccsc2[nH]1)C(C)C 799042317 WELXYWJVBBDFGV-SNVBAGLBSA-N 246.335 2.617 30 20 BFED CCCC[C@@H]1CCC[C@H]1NCCO[C@@H](C)C#N 801941214 KEKIIUJHPVQROE-BFHYXJOUSA-N 238.375 2.864 30 20 BFED N#CCCCCCC(=O)Oc1ccc(C#N)cc1 805846795 XLJJPGJNDUUMOK-UHFFFAOYSA-N 242.278 2.938 30 20 BFED FC(F)C1CCC(=NN[C@@H]2CCSC2)CC1 807999349 KQNLTELWFGQZCM-LHIURRSHSA-N 248.342 2.893 30 20 BFED CC(C)(C)N1CCC(=NOC2CCC2)CC1 812236051 VAHDTCFBBGCRNT-UHFFFAOYSA-N 224.348 2.806 30 20 BFED CC(=NOCCOC(C)C)c1ccc(C#N)cc1 812239533 WMKFAYJIBRNAPU-UHFFFAOYSA-N 246.310 2.724 30 20 BFED C=C[C@@H](CC(=O)NOC1CCC1)c1ccccc1 812790245 XAELPMAJOJRNKM-LBPRGKRZSA-N 245.322 2.947 30 20 BFED C=C(C)CCOC(=O)c1oc(CC)nc1C 814512430 UQBFCVBFOBVKGV-UHFFFAOYSA-N 223.272 2.668 30 20 BFED C[C@H]1CCC(=NNC(=S)Nc2cccnc2)C1 814721026 UREDKJOLELJGIV-VIFPVBQESA-N 248.355 2.544 30 20 BFED CCCCNN=Cc1nc2c(s1)CCCC2 814805671 KMOBBLQUDWHOAU-UHFFFAOYSA-N 237.372 2.746 30 20 BFED CO[C@@](C)(C=NOC1CCCC1)C1CC1 814893986 HEBZEPGRMXHKQW-LBPRGKRZSA-N 211.305 2.747 30 20 BFED O=C(O)C1CCC(=NNC2CCCCC2)CC1 814909818 NYISUHDSZQOROR-UHFFFAOYSA-N 238.331 2.540 30 20 BFED CCOc1ccc(NN=Cc2[nH]cnc2C)cc1 814985095 RHHONBNQLPKFHW-UHFFFAOYSA-N 244.298 2.563 30 20 BFED C#CCCCc1nc(-c2ccc(F)cc2F)no1 815702446 YOZGQAPIMVZKCP-UHFFFAOYSA-N 248.232 2.971 30 20 BFED CCN(CC#N)Cc1ccc2ccccc2c1O 816495522 YTMDTCLJSFSSAJ-UHFFFAOYSA-N 240.306 2.891 30 20 BFED Cc1c(F)cccc1C(=O)O[C@H](C#N)C1CC1 817719858 NEVMYPXPFRHXDO-GFCCVEGCSA-N 233.242 2.593 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1ccc(O)cc1OC 829582885 SLFGJSJYAVHFMR-JTQLQIEISA-N 249.310 2.942 30 20 BFED C#CC1CCN(Cc2cccc(N(C)C)c2)CC1 830326694 YSTRIQXNFSXBIY-UHFFFAOYSA-N 242.366 2.598 30 20 BFED CC(C)C#CC(=O)NCCCc1ccccc1F 834851642 BMQXAVQLIKSKQZ-UHFFFAOYSA-N 247.313 2.534 30 20 BFED C[C@H](C=NNCC(F)F)c1cc(F)cc(F)c1 834959284 ORYRYFFTUVWSCM-SSDOTTSWSA-N 248.223 2.909 30 20 BFED C[C@@H]1CC(=NOCCC(F)(F)F)[C@@H](C)O1 834973015 SDXCDPQKZFVQJB-RNFRBKRXSA-N 225.210 2.509 30 20 BFED CC[C@@H](C)CC=NNc1ccc(OC)cn1 834973675 YVEVITMFZJNDJA-SNVBAGLBSA-N 221.304 2.924 30 20 BFED CC[C@@H](C)[C@@H](C=NNc1ncccc1F)OC 834977474 LHJAXDUTCJSZBN-MWLCHTKSSA-N 239.294 2.680 30 20 BFED CC(=NOC(C)C)c1csc(C(=O)O)c1 834999515 BRJIOYSABLXXNR-UHFFFAOYSA-N 227.285 2.595 30 20 BFED C#CCNN=C(C)c1cccc(C(F)(F)F)c1 835006958 HAHSGAJBPMPZNV-UHFFFAOYSA-N 240.228 2.652 30 20 BFED Cc1cccc(C=NN[C@H]2CCOC2(C)C)c1C 835017707 RDGBOEGOLYPVRM-AWEZNQCLSA-N 246.354 2.794 30 20 BFED C#CCCCOC(=O)c1ccc(C)nc1C1CC1 835088678 VGKSJKXEOSSAJT-UHFFFAOYSA-N 243.306 2.838 30 20 BFED C#C[C@H](OC(=O)[C@H]1CCC[C@@H]1CC)C1CC1 835250835 FRSCDFZUWDKJRB-DRZSPHRISA-N 220.312 2.768 30 20 BFED C#CC[C@H](OC(=O)CSC1CC1)C(C)(C)C 835304592 VUALVTPISPKBGM-NSHDSACASA-N 240.368 2.863 30 20 BFED C#CCC(C)(C)C(=O)OC[C@H](OC)[C@@H](C)CC 835622518 HALZUOSFXLSGAR-RYUDHWBXSA-N 240.343 2.640 30 20 BFED C[C@@H](CC(C)(C)C)OC(=O)c1ccc(C#N)[nH]1 835704945 SBTQVLUGLBSYSO-VIFPVBQESA-N 234.299 2.868 30 20 BFED C=CCONC(=O)[C@H](C)CCCCCC 837048667 VRQPECOMWKTXKM-LLVKDONJSA-N 213.321 2.827 30 20 BFED C=CCC1(C(=O)OC[C@H](C)CO)CCCCC1 838153394 IDMFNCQNXHOMMM-GFCCVEGCSA-N 240.343 2.685 30 20 BFED C=CCC1(C(=O)OCc2ccon2)CCCC1 838285061 RNTBSEYMOMZCDG-UHFFFAOYSA-N 235.283 2.854 30 20 BFED C=CCONC(=O)NCC1(CC)CCCCC1 838711126 HDDQGUCKQLIORJ-UHFFFAOYSA-N 240.347 2.764 30 20 BFED C#CCC[C@@H](C)OC(=O)c1ccc(C#N)cc1 839032257 MOBMACWCOTVOEV-LLVKDONJSA-N 227.263 2.517 30 20 BFED C#CCC[C@H](C)OC(=O)C[C@H](OCC)C(=C)C 839037457 RVAYQCVHQHPNEE-STQMWFEESA-N 238.327 2.703 30 20 BFED C#CCCCCC(=O)O[C@@H]1CCC[C@H](C#N)C1 839058197 VZUKKBGSDCRTNM-QWHCGFSZSA-N 233.311 2.806 30 20 BFED CCC(=NNc1nc(C)cc(OC)n1)[C@@H]1C[C@@H]1C 841627928 GPLBLAPYBCENBO-WCBMZHEXSA-N 248.330 2.628 30 20 BFED CO[C@@H](CON=C1CCCOCC1)CC(C)C 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233.702 2.792 30 20 BFED C=CCN(C(=O)c1cnc(F)cc1C)C(C)C 865163549 LYLOKOJEBKNPNL-UHFFFAOYSA-N 236.290 2.566 30 20 BFED C=CCOCOc1cccc(C(F)(F)F)n1 865359443 KPNGPRCQPRXTQT-UHFFFAOYSA-N 233.189 2.639 30 20 BFED C[C@@H]1CSC(S[C@@H](C#N)C2CC2)=N1 865361905 FKTMRTFQQOXDDE-SVRRBLITSA-N 212.343 2.513 30 20 BFED CCOc1ccc(C=NN2CCC2)cc1OCC 872396876 NZKQNSZHVMXCCK-UHFFFAOYSA-N 248.326 2.524 30 20 BFED CCC[C@H](CC)C(=O)N(CCC#N)C(C)C 874262892 MVZLYRBAXQPBLZ-LBPRGKRZSA-N 224.348 2.963 30 20 BFED C=CCN1CCN([C@@H](C)c2ccccc2)CC1 880249099 SQRODYMCYFQTBO-AWEZNQCLSA-N 230.355 2.551 30 20 BFED C=CC1(OC(=O)CCOCc2ccccc2)CC1 893364824 BPOGQDDPQZGKSI-UHFFFAOYSA-N 246.306 2.855 30 20 BFED CCC#CCOC(=O)[C@H](C)OCc1ccccc1 893838903 TZPDJGATHQUFSJ-ZDUSSCGKSA-N 246.306 2.548 30 20 BFED CC[C@@H](C)[C@@H](CNc1cc(C)cc(C#N)n1)OC 894027974 FCVQNDLWIFPNKO-DGCLKSJQSA-N 247.342 2.735 30 20 BFED N#CCCCCCc1nc(CCCCF)no1 897203441 SQLPBCWFSWZDSM-UHFFFAOYSA-N 239.294 2.988 30 20 BFED C=C1CN(C(=O)[C@@H](CC)Cc2ccccc2C)C1 898702776 ALINWFRJGJPFFN-AWEZNQCLSA-N 243.350 2.962 30 20 BFED CC[C@H](C)CON=Cc1cn(C)nc1C1CC1 901245852 HOLBDJPOUABBRF-JTQLQIEISA-N 235.331 2.694 30 20 BFED CC[C@H](N[C@@H](C)C(C)(C)O)c1cccc(C#N)c1 903390788 JOIOOTOQOHKRGB-FZMZJTMJSA-N 246.354 2.758 30 20 BFED CC(=NNCC(C)C)c1ccc(C)cc1 916365493 ATCLXVYWBXZQEX-UHFFFAOYSA-N 204.317 2.965 30 20 BFED Cc1n[nH]c(C)c1C=NNc1cccc(F)c1 920386167 SOOBMPIBWHCHJJ-UHFFFAOYSA-N 232.262 2.612 30 20 BFED CCC(C)(CC)C(=O)N1CCC[C@@H](C#N)C1 928219669 ZTBNCGWIQISAPE-NSHDSACASA-N 222.332 2.575 30 20 BFED C=CCN(Cc1cc(C)cc(C)n1)C1CC1 930175303 HXKFCEGJKWSRKR-UHFFFAOYSA-N 216.328 2.849 30 20 BFED CCN(C(=O)c1cc(C#N)oc1C)C(C)(C)C 1117926509 OFATVPLOCXGFFW-UHFFFAOYSA-N 234.299 2.720 30 20 BFED C=C(C)CCC(=O)Nc1ccccc1OC 1120568626 WJSMIEOLEXJKBM-UHFFFAOYSA-N 219.284 2.990 30 20 BFED C=C(CC)C(=O)Nc1ccc(C)cc1C(=O)OC 1123646416 XFOHHFCATDSRGW-UHFFFAOYSA-N 247.294 2.686 30 20 BFED C=C(C)CNc1ccc2c(c1)cc(C)c(=O)n2C 1262479350 YDPYKUPURHNQST-UHFFFAOYSA-N 242.322 2.835 30 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226.323 2.944 30 20 BFED C#CCCCCC(=O)N1CC[C@H](c2ccco2)C1 374508066 QJDFKQMPRYZARX-ZDUSSCGKSA-N 245.322 2.789 30 20 BFED N#CCCCN1CCC(Cc2cccnc2)CC1 374526710 KTAOWYJXTQWJSN-UHFFFAOYSA-N 243.354 2.640 30 20 BFED C=CCCNC(=O)[C@@H]1CCCCC1(F)F 382019095 PLBCVYIASFTJBA-VIFPVBQESA-N 217.259 2.504 30 20 BFED CCCCCCCCC(=O)N1C[C@H](N)C[C@@H]1C 385173544 GKJJSIHOJWYUIU-QWHCGFSZSA-N 240.391 2.685 30 20 BFED CCCCCCCC(=O)N1C[C@@H](C)C[C@@H](O)C1 401637481 CQUWWEBTSYUTGO-QWHCGFSZSA-N 241.375 2.576 30 20 BFED C=CCOc1ccc(CN[C@@H]2CO[C@H](C)C2)cc1 402372502 YVYIFXPOPMAVOG-OCCSQVGLSA-N 247.338 2.518 30 20 BFED N#Cc1ccncc1N1CCC2(CC1)CC2(F)F 404955874 RXWUNEYTILUCQU-UHFFFAOYSA-N 249.264 2.579 30 20 BFED CCC[C@H](C#N)N(C)C(=O)[C@H](C)[C@H](C)CC 410835835 OZDQPYWQHDIYFE-IJLUTSLNSA-N 224.348 2.819 30 20 BFED CC[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C#N 410883454 NBCDANICKHPUNB-TUAOUCFPSA-N 222.332 2.573 30 20 BFED CC[C@H](NC(=O)[C@@]1(C#N)C[C@@H]1C)C1CCCC1 411074993 WZLGIUQYBAKMNT-VHRBIJSZSA-N 234.343 2.621 30 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BFED C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H](C)[C@H](C)CC 456271837 XZICCNNDACFBTL-XQHKEYJVSA-N 239.359 2.518 30 20 BFED C[C@H]1CCCC[C@@]1(C)NC(=O)CCCC#N 457247104 HKTZHXVGAQEAGJ-WCQYABFASA-N 222.332 2.765 30 20 BFED CC(C)C[C@@H](C)NC(=O)N(C)CC(C)(C)C#N 458588381 YCDCQMGPLPHTAF-LLVKDONJSA-N 239.363 2.612 30 20 BFED C=C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1CCC 462343888 WXANFKBFJCNDBN-FRRDWIJNSA-N 221.344 2.990 30 20 BFED C=CCn1cccc1C(=O)N[C@H](C)CC1CC1 488943701 LYMCKJKUKWENAS-LLVKDONJSA-N 232.327 2.593 30 20 BFED C#C[C@@H](C)N(C)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 491746287 YPSOMOONYJBTAT-XQHKEYJVSA-N 221.344 2.539 30 20 BFED CC[C@@](C)(C#N)NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 543727837 DXOFUQHTDMARCD-SFTQSGBHSA-N 236.359 2.867 30 20 BFED C[C@@H](NC(C)(C)CNCCC#N)c1ccccc1 564845732 WIIXQUWWEMDVLL-CYBMUJFWSA-N 245.370 2.619 30 20 BFED CC(C)=CCC[C@@H](C)CC(=O)NC1(C#N)CC1 567919000 NTZVJDSQRBCXJU-GFCCVEGCSA-N 234.343 2.931 30 20 BFED Cc1noc(C)c1[C@@H](C)NCC1(C#N)CCC1 590711997 SUVSRSVHPXIJIX-SECBINFHSA-N 233.315 2.636 30 20 BFED C=CC(C)(C)CNC(=O)N(CC)CCSC 592013945 UJVRAWWZVBOSJR-UHFFFAOYSA-N 244.404 2.593 30 20 BFED CC(=O)[C@H](C)CCSc1cc(C#N)ccn1 594886576 WZGXBZGMTWXEEH-SECBINFHSA-N 234.324 2.661 30 20 BFED CN(c1ccccc1)[C@H]1CCN(CCCC#N)C1 595825686 FHVDWKVATJHXSP-HNNXBMFYSA-N 243.354 2.501 30 20 BFED CC(C)C(CNc1c(C#N)cnn1C)C(C)C 596206245 QTWXUJXQGVSYTQ-UHFFFAOYSA-N 234.347 2.632 30 20 BFED CO[C@@H](CNc1ncccc1C#N)C1CCCC1 596526036 PCEGTBOFZOSQMY-ZDUSSCGKSA-N 245.326 2.570 30 20 BFED CCCC(C)(C)C(=O)N1CCC[C@H](CC#N)C1 597900520 BLCYGCYDESEDLY-GFCCVEGCSA-N 236.359 2.965 30 20 BFED CCN(C(=O)CCc1cccc(C)c1)[C@H](C)C#N 598351798 XTYZRJVMUUOSKC-CYBMUJFWSA-N 244.338 2.688 30 20 BFED Cc1cc(C)c(C#N)c(NC(=O)[C@H](C)C2CC2)n1 598854024 PJKDDOSUECRSDU-SNVBAGLBSA-N 243.310 2.555 30 20 BFED C[C@H](CCC#N)CN1CCc2ccc(O)cc2C1 602445005 LKSHWUQVMNVRFR-GFCCVEGCSA-N 244.338 2.690 30 20 BFED COCc1cc(C#N)ccc1N1CCC[C@@H]2C[C@@H]21 603373722 FELRFTWKTZWEID-DOMZBBRYSA-N 242.322 2.693 30 20 BFED CC(C)=C[C@H]1[C@H](C(=O)NCC(C)(C)C#N)C1(C)C 611688081 AVHJEFVYEOVGHS-NWDGAFQWSA-N 248.370 2.891 30 20 BFED COC[C@@H](NCc1ccc(C#N)c(C)c1)C(C)C 618194462 PCUILLGXYGJWTE-OAHLLOKOSA-N 246.354 2.627 30 20 BFED C=CCCC(C)(C)NC(=O)c1ccco1 620864418 CRUHLONLMOMDPO-UHFFFAOYSA-N 207.273 2.754 30 20 BFED C=CCCCC(=O)N[C@H]1CCC[C@@H](F)C1 648440853 YDFZBHDLLVNROE-MNOVXSKESA-N 213.296 2.740 30 20 BFED C=C(C)CCN1CCC[C@H](OC(C)C)C1 649702929 QRCCQUKRMLODSL-ZDUSSCGKSA-N 211.349 2.842 30 20 BFED C=CCn1cccc1C(=O)N[C@H](C)C(C)(C)C 652940627 ORFZDGWWYBPBEC-LLVKDONJSA-N 234.343 2.839 30 20 BFED C=CCN(CCCc1ccncc1)[C@H](C)COC 661241370 WRIYSPMRPRRLDS-CQSZACIVSA-N 248.370 2.537 30 20 BFED O=C(NO)c1ccc(Oc2cccc(F)c2)cc1 671995041 GYJGPULXSCTIIJ-UHFFFAOYSA-N 247.225 2.737 30 20 BFED C=CCC1(NCc2cnc(C)cn2)CCCC1 690771363 OFTXWHQKYKMGDX-UHFFFAOYSA-N 231.343 2.764 30 20 BFED CC(F)(F)CNc1cc(C#N)cc(Cl)n1 700605817 VQZAGIMYHLAYQR-UHFFFAOYSA-N 231.633 2.674 30 20 BFED Cc1coc(C(=O)Nc2ccc(CC#N)cc2)c1 718488216 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761366816 PPZNBMKCRUMKMH-UHFFFAOYSA-N 246.306 2.616 30 20 BFED N#Cc1ccc(CNN=C2CC(C(F)F)C2)cc1 766025275 OWQMNEILGBNLSN-UHFFFAOYSA-N 249.264 2.679 30 20 BFED C#C[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1Cl 767442583 VLKJIHMEHYXETD-MRVPVSSYSA-N 238.674 2.706 30 20 BFED C#C[C@@H](C)N(C)Cc1ccc(Cl)cc1 769978093 PTTFWBQZBIBUIQ-SNVBAGLBSA-N 207.704 2.794 30 20 BFED CCOCCON=C1CCC[C@H]1C(C)C 774437512 YCOLHCDNMKHNGU-NSHDSACASA-N 213.321 2.852 30 20 BFED C#C[C@H](N[C@H](C)c1cccc(C)c1)[C@@H]1CCCO1 775574849 SOZBCNFQJJIIQX-KBMXLJTQSA-N 243.350 2.826 30 20 BFED CCCCC[C@H](CC)C(=O)N(C)CC#N 775685050 YQVHCUWZBWKSOR-NSHDSACASA-N 210.321 2.575 30 20 BFED C/C=C(/C)C(=O)O[C@@H](C#N)C1CCCCC1 776393245 CXHIVONLPZCZGT-FALLNDSDSA-N 221.300 2.968 30 20 BFED CC(C)CON=C1CCO[C@H](C(C)C)C1 776777028 PNWXOUKVHQFDSG-LBPRGKRZSA-N 213.321 2.850 30 20 BFED CC[C@@H]1CCCC(=NNCCOC(C)C)C1 778548427 XCJIBPZUYAHLTQ-GFCCVEGCSA-N 226.364 2.957 30 20 BFED C=CCCCOC(=O)c1ccc2c(c1)CCN2C 778581123 FBFZCXXYHKSFRM-UHFFFAOYSA-N 245.322 2.802 30 20 BFED C=C(C)CN(C)C(=O)NC[C@H](C)C(C)(C)C 778671431 YFJYUTSTZKDWKY-NSHDSACASA-N 226.364 2.886 30 20 BFED CC[C@H](C#N)OC(=O)c1c(C)cccc1C 781178539 DONBWURVNSHBMZ-LLVKDONJSA-N 217.268 2.762 30 20 BFED Cc1cc(C=NNCCC(C)(C)C)c(C)[nH]1 782903045 NIQGNZOVNXHYOU-UHFFFAOYSA-N 221.348 2.991 30 20 BFED CC(=NN[C@H]1CCOC1)c1ccc(Cl)s1 788447851 SAEPJYOYYAXZBD-QMMMGPOBSA-N 244.747 2.504 30 20 BFED CCCCNN=C(C)CN1Cc2ccccc2C1 792628975 CLBSAKWNEBSKPB-UHFFFAOYSA-N 245.370 2.768 30 20 BFED CSCCC=NNc1ccc([N+](=O)[O-])cc1 793002037 CTGNIONURKZPFK-UHFFFAOYSA-N 239.300 2.746 30 20 BFED CC[C@H](C)CON=C1CCC[C@@H](C(=O)OC)C1 793147010 XLCGQBQYDGCQBO-WDEREUQCSA-N 241.331 2.768 30 20 BFED Fc1cccc(C=NNCCC(F)(F)F)c1 794551648 DOCOUFIHYGAJBS-UHFFFAOYSA-N 234.196 2.702 30 20 BFED COc1ccc(N[C@H]2CC[C@@H](C#N)C2)c(OC)c1 799721220 WXUKKKWJDBEPMQ-MNOVXSKESA-N 246.310 2.808 30 20 BFED CC(=NOCc1ccccc1)c1cn(C)c(C)n1 800809806 GZVSRVQJLIAALA-UHFFFAOYSA-N 243.310 2.669 30 20 BFED CC#CC(=O)Nc1cccc2ccsc12 801177981 DIAHHGKQVFIKDE-UHFFFAOYSA-N 215.277 2.863 30 20 BFED C[C@H]1CC(=NN[C@H]2CCSC2)c2ccccc21 808003151 JNRYUAZQCYXHLH-QWRGUYRKSA-N 246.379 2.993 30 20 BFED C#C[C@H](C)NCc1cc(C)c2ncccc2c1 809684149 PKZBQJMNXUTZGM-LBPRGKRZSA-N 224.307 2.655 30 20 BFED C#C[C@H](CC)NC/C=C/c1ccc(F)cc1F 809687286 WOCFIMVLVIUMAZ-URWSZGRFSA-N 235.277 2.979 30 20 BFED CCCC(Cc1ccccc1)=NNC[C@H](O)CC 811654277 VHDLJKCQSSZXNG-OAHLLOKOSA-N 248.370 2.746 30 20 BFED Cn1c(C=NOC/C=C\Cl)nc2ccccc21 811669781 JBDRLKBYEALTDY-LIMBZAAPSA-N 249.701 2.676 30 20 BFED Oc1ccc(F)cc1C=NOC/C=C/Cl 811669927 LDBPFCPYYUXMQQ-AODHEHMHSA-N 229.638 2.634 30 20 BFED CCOc1ccc(C=NOCCC2CC2)c(O)c1 814246662 UZRDGZFLDXDTLB-UHFFFAOYSA-N 249.310 2.942 30 20 BFED CCOc1cccc(C=NOCCC2CC2)n1 814246838 FHKNFALOKIVMMM-UHFFFAOYSA-N 234.299 2.631 30 20 BFED CC(=NNc1cccc(F)c1)c1ccc(N)nc1 814815401 WRNONSPVQPIINX-UHFFFAOYSA-N 244.273 2.639 30 20 BFED COc1ccc(NN=CCCCSC)nc1 814909969 ULRCOBQPGJXSOU-UHFFFAOYSA-N 239.344 2.631 30 20 BFED C=CCC(F)(F)C(=O)N[C@@H]1CC[C@@H](SC)C1 815710518 NXNQCDIHNZAORL-RKDXNWHRSA-N 249.326 2.598 30 20 BFED C=CCONC(=O)C1(c2ccc(C)cc2)CCC1 819558689 CASWIOIPFUUUOZ-UHFFFAOYSA-N 245.322 2.651 30 20 BFED C#C[C@H](C)NC(=O)N(CC1CCCCC1)C1CC1 820441400 UMAANECMAQECTE-LBPRGKRZSA-N 248.370 2.762 30 20 BFED COc1ccc([C@H](C)NC(=O)C#CC(C)C)cc1 821024029 XSIRDUZLSCFIJF-LBPRGKRZSA-N 245.322 2.532 30 20 BFED C=C[C@@H](CC)CC(=O)NC1(C)CC=CC1 824254588 VNOUBADFYMPJJC-NSHDSACASA-N 207.317 2.814 30 20 BFED C=C[C@H](CC)CC(=O)N[C@@]1(C)CC1(C)C 825684700 YQQBSFGLKAMPQP-MFKMUULPSA-N 209.333 2.894 30 20 BFED CCC(=NN[C@H]1C[C@H]2CC[C@H]1C2)c1ccncc1 834968665 NOAQBTLAPOXXQG-WHOFXGATSA-N 243.354 2.974 30 20 BFED c1cc(NN=C2CCC23CCCC3)ncn1 835000724 HIIQLUCGAQSZNP-UHFFFAOYSA-N 216.288 2.599 30 20 BFED CC[C@@H]1CCCC(=NNc2ccncn2)C1 835001876 LAQMKBBVLRRJPQ-SNVBAGLBSA-N 218.304 2.845 30 20 BFED CC(C)ON=C1CCc2c(F)cccc21 835004600 SHQGMRJKIDZWQX-UHFFFAOYSA-N 207.248 2.901 30 20 BFED C[C@H](O)CN(C)N=C1CCC[C@H]1c1ccccc1 841649738 AOEFLGLBZVRWPF-JSGCOSHPSA-N 246.354 2.623 30 20 BFED CCN(CCO)N=C1CCC(C)(C)C[C@H]1C 842538871 OZMNFDKUHVGGIM-LLVKDONJSA-N 226.364 2.503 30 20 BFED C#C[C@H](NC(=O)[C@H](C)C1CCC1)c1ccccc1 843642949 YZSVQRRVUOGITA-DOMZBBRYSA-N 241.334 2.913 30 20 BFED C=C(C)CON=Cc1c(C)nc2scc(C)n12 844614951 LJRLBXXAWRVYCD-UHFFFAOYSA-N 249.339 2.939 30 20 BFED C=C(C)CONC(=O)N(C)[C@H]1CCC[C@H](C)C1 845592278 JVZFAUUPDJHFQJ-RYUDHWBXSA-N 240.347 2.714 30 20 BFED C=CCC1(CNC(=N)NCCC)CCCC1 849038465 PDYINNXTFZBTRV-UHFFFAOYSA-N 223.364 2.647 30 20 BFED C=CCCC(=O)COc1cnc(Cl)c(F)c1 850000861 JHGXBGDXAGHKLE-UHFFFAOYSA-N 243.665 2.788 30 20 BFED CO[C@@H](C=NNc1cc(C)ccc1F)C1CC1 853319005 JKYSWYCTBFDVMB-ZDUSSCGKSA-N 236.290 2.957 30 20 BFED CC[C@@H](C)CON=Cc1ccnn1CC1CC1 853349589 BZUZVLDLBKHKAS-LLVKDONJSA-N 235.331 2.690 30 20 BFED C=CCN(CCC#N)C(=O)/C=C(\C)c1ccco1 854595463 GLWGUUFSWZBPKR-VAWYXSNFSA-N 244.294 2.611 30 20 BFED C#C[C@@](C)(CC)NC(=O)C[C@@H](C)CCC 854696923 QHAKRRRWKGYIIT-AAEUAGOBSA-N 209.333 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CCC(CC)S[C@H](C)C(=O)N(C)CCC#N 131791002 GJGOBKAHQDHTTL-SNVBAGLBSA-N 242.388 2.669 30 20 BFED COCCCCCOc1ccc(C#N)cc1F 134293602 CAMUGQJOBVUGPY-UHFFFAOYSA-N 237.274 2.893 30 20 BFED C=C[C@@](C)(CC)C(=O)Nc1cccnc1 134896311 QESKAASRJQLDQV-LBPRGKRZSA-N 204.273 2.622 30 20 BFED C[C@H]1CC[C@H](NCc2cc(C#N)ccc2F)C1 135234338 ZGLOAXNEFHGEGZ-GWCFXTLKSA-N 232.302 2.976 30 20 BFED CC#CCNC(=O)N[C@@H](C)c1cccc(C)c1C 135932891 YCRMYNCBSJOBQD-ZDUSSCGKSA-N 244.338 2.687 30 20 BFED N#CCC[C@@H](C#N)COc1cccc(F)c1C#N 154246869 UKSMFFXAPNEWKV-JTQLQIEISA-N 243.241 2.520 30 20 BFED C=CCCOC(=O)C[C@@H](C)c1c(C)noc1C 156282748 JZEDQNIXCNLRAZ-SECBINFHSA-N 237.299 2.904 30 20 BFED C=C(C)CNC(=O)Nc1cc(F)ccc1OC 157703712 MLKIRTJKWIADNY-UHFFFAOYSA-N 238.262 2.532 30 20 BFED C#CCCCNc1ccccc1COC 161056484 OQRSAVLKRGTRSM-UHFFFAOYSA-N 203.285 2.658 30 20 BFED C=CCN(C)C(=O)C[C@H](C)c1ccccc1F 161381102 NGCVMROVUVNWPN-NSHDSACASA-N 235.302 2.964 30 20 BFED CS[C@H](C)CC(=O)Nc1cc(C#N)ccc1C 161582876 SMHZJTXCXXPBOH-SNVBAGLBSA-N 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234.274 2.702 30 20 BFED C#C[C@@H](CC)Nc1ccc(C(F)(F)F)cn1 233906824 WAMOXBGDMTUTDD-VIFPVBQESA-N 228.217 2.924 30 20 BFED CC(C)[C@@](C)(C#N)NC(=O)C[C@@H]1CCC[C@H]1C 249034025 TUFNOUUPCYXROM-MBNYWOFBSA-N 236.359 2.867 30 20 BFED C#CC/N=C\c1c(O)ccc2ccccc12 255032738 ANQLKQMFBOBHAB-GDNBJRDFSA-N 209.248 2.598 30 20 BFED N#CC[C@H]1CCCN(CC2CCSCC2)C1 259955777 JAVOXSDJOQLAMF-GFCCVEGCSA-N 238.400 2.755 30 20 BFED C=CCCc1csc(C2(N)CCCC2)n1 261583551 PDEOTZNBPSWLJT-UHFFFAOYSA-N 222.357 2.990 30 20 BFED CC[C@@H](C)N/C(N)=N/C[C@H]1CCCC(F)(F)C1 261615737 BETHCBXSZBDDRV-ZJUUUORDSA-N 247.333 2.515 30 20 BFED C=CCN(CC=C)c1cc(Cl)nc(C)n1 267072678 IVGZJVRBKJFNBF-UHFFFAOYSA-N 223.707 2.617 30 20 BFED C=CCCOCCNc1ccnc2ccncc12 270252021 SEPQUQQFEJUOIO-UHFFFAOYSA-N 243.310 2.634 30 20 BFED C[C@@H](C#N)CN(C)Cc1cccc(Cl)c1O 271759240 XYJIEUSXUCRBKB-VIFPVBQESA-N 238.718 2.637 30 20 BFED C[C@H]1Cc2ccccc2[C@@H]1NCCCC#N 273265553 NTDKSDWEARHUGQ-SMDDNHRTSA-N 214.312 2.813 30 20 BFED C[C@@H](c1cccnc1)N(C)C(=O)CC(C)(C)C#N 278283659 QLZGPKZVYFHXSY-NSHDSACASA-N 245.326 2.541 30 20 BFED C[C@H](CCc1ccco1)NC(=O)CC(C)(C)C#N 278387150 IOGVMVIURMQTQU-LLVKDONJSA-N 248.326 2.657 30 20 BFED C#C[C@@H](C)Nc1ccc(C(=O)CC)cc1[N+](=O)[O-] 281464852 LYBXRRUIJHUPPF-SECBINFHSA-N 246.266 2.621 30 20 BFED C=CCOc1ccccc1C(=O)N[C@@H]1C[C@H]1CC 281876830 VEYMBJRQMBAXRJ-DGCLKSJQSA-N 245.322 2.780 30 20 BFED CC#CC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 283284569 SNQYEFYIKCSIQU-GFCCVEGCSA-N 233.698 2.637 30 20 BFED C=CCNC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 284923691 BZFRWPGCAGGWCK-OCCSQVGLSA-N 244.338 2.965 30 20 BFED C=C(C)CCc1noc([C@H]2C[C@H]3CC[C@H]2O3)n1 285264841 YCFXVZJMEFHPOZ-OUAUKWLOSA-N 234.299 2.613 30 20 BFED C=CC[C@H](CC)NC(=O)c1ocnc1C1CC1 288648229 BAAVCJUOIDAPGO-JTQLQIEISA-N 234.299 2.637 30 20 BFED C=CCOc1cccc(CN(C)C[C@H](C)OC)c1 289545281 IGOVOEGBOROQEW-ZDUSSCGKSA-N 249.354 2.718 30 20 BFED C=C1CCN(C[C@H](O)c2ccc(F)cc2)CC1 292761947 XRONVDOMSSDUDD-AWEZNQCLSA-N 235.302 2.511 30 20 BFED 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30 20 BFED C=CCCCCSC[C@@H](C)S(C)(=O)=O 842191694 MJPSBOKYOSFRQV-SNVBAGLBSA-N 236.402 2.509 30 20 BFED C#C[C@@H](OC(=O)[C@H](C)CC)c1ccccc1 842389473 HBDUHYCHSDDTFG-DGCLKSJQSA-N 216.280 2.950 30 20 BFED C#CCN(CC#CC)C(=O)[C@H]1CCC(C)=C(C)C1 843556304 OPPHIXJPNGNNTC-HNNXBMFYSA-N 243.350 2.608 30 20 BFED C=C[C@H](C)ONC(=O)NC1CCCCCCC1 844284996 ZKUOVNHYDWFEHX-NSHDSACASA-N 240.347 2.905 30 20 BFED CCc1cccc(C=NOC[C@@H]2CCOC2)c1 844591700 RTDNDSZLVGWXDS-CQSZACIVSA-N 233.311 2.636 30 20 BFED CC[C@H](C)NN=C(C)c1cccc(OC)c1O 844592325 DKVAYLYFAZIZAX-VIFPVBQESA-N 236.315 2.513 30 20 BFED C=C[C@@H](C)ON=Cc1ccc(N(C)C)cc1 844622937 JEDIWSJBMYRLNV-LLVKDONJSA-N 218.300 2.678 30 20 BFED C#CCN(C)C(=O)[C@@H](C)c1ccc(Cl)cc1 845999340 KKSRDTSQWBWOMK-JTQLQIEISA-N 235.714 2.535 30 20 BFED C=C[C@H](C)ONC(=O)c1cc(C)cc(C)c1 846540549 ANENKDLXUHZJPH-NSHDSACASA-N 219.284 2.539 30 20 BFED C=C[C@@H](C)ONC(=O)[C@H](C)C(CC)CC 846549712 SCXDDDUMMLLXPP-NXEZZACHSA-N 213.321 2.681 30 20 BFED C#C[C@H](C)N(C)C[C@H](CC)CC(F)F 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2.513 30 20 BFED C=C1CCN(C(=O)N[C@@H]2CCC(C)(C)C2)CC1 893956112 BPNTYWJSXXOURC-GFCCVEGCSA-N 236.359 2.927 30 20 BFED CC#CCN(C)Cc1cnc(C2CCC2)s1 897166807 CYPPZCLFGXVJDI-UHFFFAOYSA-N 234.368 2.866 30 20 BFED C=CCC[C@H](CCC)N[C@@H]1COCC[C@H]1OC 897890749 XCQDDOQNLLRBRY-BFHYXJOUSA-N 241.375 2.515 30 20 BFED CC(C)ON=Cc1cc(C(=O)O)c(Cl)s1 901249902 KUVYLDJBDJKZHN-UHFFFAOYSA-N 247.703 2.859 30 20 BFED Cc1ccc(-c2nc(C)c(C(=O)NO)s2)cc1 901367288 AIFGLOMDDOXOLT-UHFFFAOYSA-N 248.307 2.546 30 20 BFED C=CCCNc1nn(C)c2ccccc12 901506169 KENGJZQQHQHFGN-UHFFFAOYSA-N 201.273 2.561 30 20 BFED C=C(C)CSCCNC(=O)OC(C)(C)C 901606042 JEPJYZZDQKPLIB-UHFFFAOYSA-N 231.361 2.820 30 20 BFED C#CCCCCNCc1cc(C)ccc1NC 902313756 UDEZMHPACBVKSH-UHFFFAOYSA-N 230.355 2.930 30 20 BFED C=CCCOCCN[C@@H](c1ccccn1)C1CC1 903131405 RZVFLYXOYQXQKQ-OAHLLOKOSA-N 246.354 2.715 30 20 BFED C=C[C@@H](CC)CC(=O)O[C@@H](C)c1cnccn1 909526449 XTRPJQWKYJGCMB-QWRGUYRKSA-N 234.299 2.683 30 20 BFED Cc1ccccc1[C@H](C)C(=O)O[C@H](C)C#N 923908353 XDZRKIFIJNEBPX-MNOVXSKESA-N 217.268 2.554 30 20 BFED C=CC(C)(C)Cc1nc(-c2cnsc2)no1 924151304 BYLGDWQFFDDULD-UHFFFAOYSA-N 235.312 2.948 30 20 BFED C=CC[C@H](CC)N[C@@H](C)c1cn(C(C)C)nn1 926350015 FYYZJOSBOHRTRY-RYUDHWBXSA-N 236.363 2.864 30 20 BFED C#CCN(C(=O)Nc1ccc(C)nc1C)C(C)C 930339893 XOYFVIFCLXZXKT-UHFFFAOYSA-N 245.326 2.574 30 20 BFED C#CCN(CC1CC1)C(=O)CC[C@H](C)CC 1117116058 YAUNODQMNJRCBD-GFCCVEGCSA-N 221.344 2.685 30 20 BFED N#Cc1cc(N2CC(c3ccccc3)C2)ccn1 1149986549 AQCXECLZVVOUDO-UHFFFAOYSA-N 235.290 2.557 30 20 BFED O=C(CC1CC1)N(O)Cc1ccccc1Cl 1262165314 PGIPOWPJQFQWRW-UHFFFAOYSA-N 239.702 2.858 30 20 BFED C=C[C@@H](CC)CC(=O)NCCc1ccc(C)o1 1262238626 DVQIGEWUTNEHNU-LBPRGKRZSA-N 235.327 2.849 30 20 BFED C#CCN(CC)C(=O)N[C@@H](C)c1cc(C)oc1C 1318019994 VQCGTTBCRAJWBD-NSHDSACASA-N 248.326 2.622 30 20 BFED CC1(C)CC[C@@H](NC(=O)c2csc(C#N)c2)C1 1324415839 AITFKWNMTPGTIT-SNVBAGLBSA-N 248.351 2.928 30 20 BFED C[C@H]1CC[C@@H](C)CC1=NNCC1CCOCC1 1324611392 ZBIPHOXNIKRGBS-NEPJUHHUSA-N 238.375 2.815 30 20 BFED Cc1ncccc1CSCC1(C#N)CC1 1324649314 LRSOCBFOJJBWFY-UHFFFAOYSA-N 218.325 2.927 30 20 BFED C/C=C/C=C/C(=O)Nc1cnc(Cl)cc1C#N 1326972690 HQMTVUCDLMCYIE-MQQKCMAXSA-N 247.685 2.677 30 20 BFED C=C[C@H](COC)NC(=O)[C@H](CCC)CC(C)C 1330591818 IGPYXNSXSRVVEX-CHWSQXEVSA-N 241.375 2.766 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)C[C@@H]1C=CCCC1 1337581280 SFBSGDNMNQDQQW-OLZOCXBDSA-N 234.343 2.883 30 20 BFED Cc1cc(F)cc(N2CCC(CC#N)CC2)n1 1339659510 ISLKOFLXAHSHGU-UHFFFAOYSA-N 233.290 2.659 30 20 BFED C=C(CC)C(=O)NC1(c2ccc(OC)cc2)CC1 1346482680 GLPBWQFPJQVSFE-UHFFFAOYSA-N 245.322 2.767 30 20 BFED C=C(C)C(C)(C)C(=O)[C@@H](C#N)c1nccn1CC 1347338809 VPCFZXKZUZLSII-LLVKDONJSA-N 245.326 2.682 30 20 BFED N#C[C@@H](NC(=O)C[C@@H]1C=CCC1)C1CCCC1 1350306605 XCEKTNOHAMWGOE-DGCLKSJQSA-N 232.327 2.541 30 20 BFED C=C(CC)C(=O)N[C@H]1CCOc2c(F)cccc21 1351080040 HUGYELNSUJAYKT-LBPRGKRZSA-N 249.285 2.732 30 20 BFED C=C(CC)C(=O)NCCc1c[nH]c2ccccc12 1520729575 VBRWOLXHKGMQMW-UHFFFAOYSA-N 242.322 2.793 30 20 BFED C=C(CC(C)C)C(=O)N1CC[C@H]1C(F)(F)F 1528425256 GPHUYNIOLDCQCT-VIFPVBQESA-N 235.249 2.752 30 20 BFED C=CC[C@@H]1CCN1[C@@H](C(=O)O)c1ccsc1 1602855072 FXLKQXHHTBRANB-GHMZBOCLSA-N 237.324 2.524 30 20 BFED Cc1cc(NC(=O)c2cc(C#N)c[nH]2)cs1 1634290150 WMEQAQJVXUCBPO-UHFFFAOYSA-N 231.280 2.509 30 20 BFED N#C[C@H]1CC[C@@H](Nc2nc3ccccc3o2)C1 1651168759 NOKRHEVYSGPLAA-VHSXEESVSA-N 227.267 2.932 30 20 BFED O=C(O)c1cccc(NN=C2C[C@H]3C[C@@H]3C2)c1 1776038566 QVDFTPMYQNMYHV-NXEZZACHSA-N 230.267 2.583 30 20 BFED C=CCCCCN1CC(F)(F)C[C@@]1(C)C(=O)O 1776207814 RDQBJKQLLAOOQT-NSHDSACASA-N 247.285 2.527 30 20 BFED N#Cc1ncnc(CC2CCCCC2)c1F 1898218087 YXXORYCMXMRGLJ-UHFFFAOYSA-N 219.263 2.610 30 20 BFED CN(C(=O)c1cccs1)c1cccc(C#N)c1 49121505 UYZFNFZXAIENKJ-UHFFFAOYSA-N 242.303 2.896 30 20 BFED CCCC(=O)N[C@H](C#N)c1ccc(Cl)cc1 49828366 ZKGHDSOWHQKPNK-LLVKDONJSA-N 236.702 2.821 30 20 BFED Cc1ccc2oc(C(=O)NCCCC#N)cc2c1 54137795 XCJZYZYKSABWLV-UHFFFAOYSA-N 242.278 2.775 30 20 BFED N#C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 57537405 APUNTCYTQWPXPX-JTQLQIEISA-N 248.713 2.716 30 20 BFED N#Cc1cc(NCC2CCCC2)ccn1 61811646 LBJJZELEGYTUEM-UHFFFAOYSA-N 201.273 2.555 30 20 BFED N#Cc1ccc(NC[C@H]2CCCNC2)cc1Cl 61847021 GTNZONINQQPSEL-JTQLQIEISA-N 249.745 2.623 30 20 BFED Cc1ccccc1CCC(=O)N(C)[C@H](C)CC#N 63094486 UZYVGYKFTBHRLD-CYBMUJFWSA-N 244.338 2.688 30 20 BFED C=CCNC(=O)N[C@H](CCC)Cc1ccccc1 69225605 ALMHNCFNNUQIRY-CQSZACIVSA-N 246.354 2.883 30 20 BFED C[C@H]1C[C@H]1C(=O)N(CCC#N)c1ccc(F)cc1 72678594 JVUWDJPBMSSAAC-GXFFZTMASA-N 246.285 2.728 30 20 BFED Cc1ccccc1-c1cnc(CN(C)CC#N)o1 75711850 ZGNGJYSFKDMMFL-UHFFFAOYSA-N 241.294 2.605 30 20 BFED C=CCN(C)Cc1nccn1Cc1ccccc1 75915034 OBMJNYDZRQBPPD-UHFFFAOYSA-N 241.338 2.549 30 20 BFED C=C(Cl)CNC(=O)c1cc(Cl)ccc1O 77018105 KVWJJPVAFMAPOE-UHFFFAOYSA-N 246.093 2.528 30 20 BFED Cc1cccc(C(=O)N2CCC[C@@H](C#N)C2)c1C 79825757 QEUNNROQSRLFDP-ZDUSSCGKSA-N 242.322 2.679 30 20 BFED C=C(C)CN/C(N)=N\CC(C)(C)CC(C)C 81524681 GLIPFTFJVFNWGA-UHFFFAOYSA-N 225.380 2.539 30 20 BFED C=C(CC)CNCc1ccccc1OC 85056937 ZOMCQZJRVVWCGN-UHFFFAOYSA-N 205.301 2.751 30 20 BFED CN(C(=O)C=C1CCC1)c1cccc(C#N)c1 87191888 GOJSGZHAPAYZQJ-UHFFFAOYSA-N 226.279 2.631 30 20 BFED CC(C)(C#N)CCn1c(=O)oc2ccccc21 87595737 YLBRWRXYWDXHQI-UHFFFAOYSA-N 230.267 2.534 30 20 BFED CC[C@@H](COC)Nc1snc(Cl)c1C#N 92656270 ASZFMQMSMQVWDF-LURJTMIESA-N 245.735 2.505 30 20 BFED Cc1ccc(F)cc1CN1CCC[C@H](C#N)C1 97849354 QJQGYUIOWHXBID-GFCCVEGCSA-N 232.302 2.870 30 20 BFED C#CCCOC(=O)c1ccc(C)c(Cl)c1 103333534 GIPRGDZHDUAAOV-UHFFFAOYSA-N 222.671 2.829 30 20 BFED C=CC1CCN(CC(=C)Br)CC1 111693261 QUYNEIJPHKVGIS-UHFFFAOYSA-N 230.149 2.793 30 20 BFED C=CCS[C@H](C)C(=O)N[C@@H](C)CCC 114756970 SHQFJAAHMABRFS-VHSXEESVSA-N 215.362 2.599 30 20 BFED C=CC[C@H](C)NC(=O)c1ccc(OC(C)C)nc1 116859232 XPQPDXNBXDXKJI-NSHDSACASA-N 248.326 2.563 30 20 BFED Cc1cc(Cl)cc2c1N(CC#N)CCC2 118868712 VUSWIGQDKVLTFS-UHFFFAOYSA-N 220.703 2.925 30 20 BFED C=CCOc1ccc(C(=O)N(CC)C2CC2)cc1 121817341 APDMSECEIPHBAD-UHFFFAOYSA-N 245.322 2.876 30 20 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30 20 BFED C[C@@H](NCCCC#N)c1ccc(Cl)cc1O 841753152 KBJRZBGIXXLSSP-SECBINFHSA-N 238.718 3.000 30 20 BFED C/C=C(/C)COC(=O)Cc1ccc(C#N)cc1 842849437 RLKYRLFRHANYLP-JYOAFUTRSA-N 229.279 2.610 30 20 BFED C=CCCCCC[C@@H](C)N[C@@H](CC)C(=O)O 843038946 LDOAZHFXTYSFSN-NEPJUHHUSA-N 227.348 2.964 30 20 BFED C=C[C@@H](C)ONC(=O)Nc1cc(C)cc(C)c1 844481681 HNNVPTJAMLNMEZ-LLVKDONJSA-N 234.299 2.931 30 20 BFED CC#CCOC(=O)c1c(C)cc(F)cc1C 849984465 ZRFNHYXXVGMSPL-UHFFFAOYSA-N 220.243 2.623 30 20 BFED C=C(Cl)CS[C@@H](C)C(=O)N[C@H](C)CC 853783912 QVJQHTNGACXCSF-BDAKNGLRSA-N 235.780 2.775 30 20 BFED C#CC(C)(C)N(C)C(=O)OCc1ccccc1C 859134250 QLEUBJPVNZSELP-UHFFFAOYSA-N 245.322 2.975 30 20 BFED C=C[C@H](OC(=O)C1CC(OC)C1)c1ccccc1 860883162 NYWMXUXOVXEEPP-RUXDESIVSA-N 246.306 2.882 30 20 BFED CCCCCCCNC(=O)c1cc2n(n1)CCC2 862355079 DZIRYZKDWOGKLB-UHFFFAOYSA-N 249.358 2.530 30 20 BFED CC[C@H](C)C(=O)Nc1cc(C#N)c(F)cc1F 876343736 DMGBIFYNJNPPIH-ZETCQYMHSA-N 238.237 2.821 30 20 BFED N#CCCCNC/C=C\c1cccc(F)c1 886059431 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233.237 2.962 30 20 BFED N#Cc1ccc(NC(=O)N2CCC[C@H](F)C2)cc1 584723411 ITKQZTBKMBLWFG-NSHDSACASA-N 247.273 2.524 30 20 BFED CC(C)(C)[S@](=O)/N=C/c1cnccc1Cl 585163659 LLZCXZLEXBBKKG-COSNYCCFSA-N 244.747 2.616 30 20 BFED C=CCCC(=O)N[C@H](C)Cc1ccsc1 588032367 AGZWBDJTDHLRAA-SNVBAGLBSA-N 223.341 2.762 30 20 BFED CCO[C@H]1CCCN([C@H](C#N)c2ccccc2)C1 595319802 CLNPXEWBEKMKKK-LSDHHAIUSA-N 244.338 2.752 30 20 BFED C[C@H](C#N)N(Cc1cc(F)ccc1C#N)C1CC1 595720452 HZXCTGITFJPSMJ-SNVBAGLBSA-N 243.285 2.574 30 20 BFED CC1C[C@@H]2CC[C@H](C1)N2Cc1ccc(C#N)cn1 595858242 UTYYTMPJUKDXRX-PHTAMDTFSA-N 241.338 2.716 30 20 BFED CCC[C@]1(C)CCCN(c2c(C#N)cnn2C)C1 596144820 OUDQBDAKYWJRKC-CQSZACIVSA-N 246.358 2.698 30 20 BFED CCOc1ccc(CNC[C@@H](C)C#N)c(C)c1 597081500 BHGUZZGXLJLGAT-NSHDSACASA-N 232.327 2.643 30 20 BFED CC(F)(F)CNC(=O)CC1(C#N)CCCCC1 597695840 GJKRULJXWDVKGM-UHFFFAOYSA-N 244.285 2.622 30 20 BFED C=CCC1(NC(=O)[C@H](C)CSC)CCCC1 598296006 LQSAFEYUUJQQBT-LLVKDONJSA-N 241.400 2.991 30 20 BFED CCN(C(=O)[C@@H]1CCC[C@H](C)C1)[C@@H](C)C#N 598357319 AELHAKRSUGFKGD-SDDRHHMPSA-N 222.332 2.573 30 20 BFED CCc1cc(C#N)c(NC(=O)CCCF)s1 598807606 HUQBWMBXMJTWMK-UHFFFAOYSA-N 240.303 2.870 30 20 BFED C[C@H](CCC#N)CNCC(C1CC1)C1CC1 602559290 GSSMAPKTPDCKIL-LLVKDONJSA-N 220.360 2.952 30 20 BFED CN(CC1CCSCC1)CC(C)(C)C#N 602677225 XAVKACPKJIHMMO-UHFFFAOYSA-N 226.389 2.611 30 20 BFED N#Cc1cc(F)cc(N[C@@H]2CC[C@H](C#N)C2)c1 602722741 CHVMGPFFGOXLBH-JOYOIKCWSA-N 229.258 2.802 30 20 BFED CC(C)(C)NC(=O)Nc1cc(F)cc(C#N)c1 603070099 BZDVJKXYSHZXOK-UHFFFAOYSA-N 235.262 2.617 30 20 BFED C=CC[C@@H]1CCCN(C(=O)c2coc(CC)n2)C1 617780981 BQCYZRKNVLPDRX-LLVKDONJSA-N 248.326 2.665 30 20 BFED C=CCC[C@@H](CO)Nc1cc(CCCC)ncn1 631300903 GJXBCBMIYIWFKG-ZDUSSCGKSA-N 249.358 2.558 30 20 BFED C=C(C)CCn1cc(/C=C/C(C)C)nn1 641069625 LREIZVZWBBTYCH-AATRIKPKSA-N 205.305 2.914 30 20 BFED C=CCC[C@@H](CCC)N[C@@H]1CC12CCNCC2 643534335 RHHZTUBTNCGTEM-ZIAGYGMSSA-N 236.403 2.853 30 20 BFED C=CC[C@H]1CC[C@@H](NCc2ccccn2)C1 651749483 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30 20 BFED CCON=C1CCCc2nc(C)sc21 730947721 FNCJSRFPNLMDGW-UHFFFAOYSA-N 210.302 2.528 30 20 BFED C=C(Cl)CSCCOC[C@H]1CCCO1 742971847 XCYYXQJKSCUHBK-SNVBAGLBSA-N 236.764 2.668 30 20 BFED C(=NNc1ncccn1)c1coc2ccccc12 746567205 XMGXGQUUCAJELF-UHFFFAOYSA-N 238.250 2.669 30 20 BFED CCC/C(C)=C/C(=O)N[C@](C)(C#N)CC 749613889 ZXGDKIPIUVDBRB-OANVXVOSSA-N 208.305 2.541 30 20 BFED COc1ccc(NN=C(C)[C@@H](C)OC)cc1 750922539 QWDPKVDBGCHVJK-SNVBAGLBSA-N 222.288 2.518 30 20 BFED C#C[C@@H](CC)Nc1ncnc2cccc(F)c12 752923769 GNPCKDSZDIJSGN-VIFPVBQESA-N 229.258 2.593 30 20 BFED C[C@H]1C[C@H]1C=NNc1ccc(Cl)nc1 758378350 NRQGRNWNFNGHKT-YUMQZZPRSA-N 209.680 2.789 30 20 BFED Cn1cc(NN=C2CCCCCCC2)cn1 761865792 NKADICWWVWDSQS-UHFFFAOYSA-N 220.320 2.932 30 20 BFED CC[C@@H](C)[C@H](C(=O)OCC#N)c1ccccc1 763771696 DVWTVFUACGLMKD-YPMHNXCESA-N 231.295 2.883 30 20 BFED C[C@@H]1CC(=NC(=O)CC2(C)CCCCC2)NO1 765384804 QZTNLMBJUNWWSM-SNVBAGLBSA-N 238.331 2.585 30 20 BFED C#CCCCON=Cc1ccccc1C 766743365 LQXZLURWAMRGHK-UHFFFAOYSA-N 201.269 2.759 30 20 BFED C#CCCCOC(=O)CNc1c(C)cccc1C 766901315 WUJOJTWAHMDCMS-UHFFFAOYSA-N 245.322 2.672 30 20 BFED CC[C@H](C)COC(=O)C1(C#N)CC(C)C1 767428154 VCWJELQIVLBZOO-BMQDGWLCSA-N 209.289 2.516 30 20 BFED C#C[C@H](C)N(C)c1ccc(Cl)cc1[N+](=O)[O-] 767441885 QWIHWPRHDHGPKG-QMMMGPOBSA-N 238.674 2.706 30 20 BFED Cc1cccc(C=NNCC(F)(F)F)c1C 769821488 GXBBFIIILLGBNG-UHFFFAOYSA-N 230.233 2.789 30 20 BFED Cc1ccccc1C=NOC[C@H]1CCCOC1 769879835 YARJNQPREXAQRE-ZDUSSCGKSA-N 233.311 2.772 30 20 BFED CC(=NO[C@@H]1CCCCO1)c1cnccc1C 771557791 NAOIDLZNZFKHKD-CYBMUJFWSA-N 234.299 2.657 30 20 BFED C1C[C@H]2[C@H]3CC(=NOC4CCOCC4)[C@@H](C3)[C@@H]2C1 774453104 NKRHVUSHENCUTJ-CABNGKKXSA-N 249.354 2.994 30 20 BFED COC[C@@H](C)NN=Cc1ccc(C(C)(C)C)cc1 777894117 FYBIVONKFJBLCJ-GFCCVEGCSA-N 248.370 2.943 30 20 BFED Cc1cccc2c1CCC2=NN=c1cc[nH]cc1 779810677 HBYCBDPULKSDME-UHFFFAOYSA-N 237.306 2.574 30 20 BFED CC(=NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 783771769 MQQXYQROGJAVCK-LBPRGKRZSA-N 249.270 2.562 30 20 BFED 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225.376 2.995 30 20 BFED C=CCCC(=O)N[C@H](C)Cc1ccccc1F 102237926 ILXFMPBAZYYXOF-LLVKDONJSA-N 235.302 2.839 30 20 BFED C=CCCOC(=O)c1cccc(COC)c1 103650247 ZAOSZSZJQMIKNK-UHFFFAOYSA-N 220.268 2.566 30 20 BFED CCC(CC)CN(CCC#N)C(=O)[C@@H]1C[C@H]1C 104542939 SAMJRYLDTOLFBX-DGCLKSJQSA-N 236.359 2.821 30 20 BFED C=CC1CCN(C(=O)c2cccc(C#N)c2)CC1 110360889 VEOOBNZYHHPPKY-UHFFFAOYSA-N 240.306 2.596 30 20 BFED C=CCCOC(=O)CO[C@H]1CCC[C@@H](C)C1 112759187 HOPXJQOATAYBJU-NEPJUHHUSA-N 226.316 2.701 30 20 BFED COc1cc(/C=C/C(=O)c2ccco2)ccc1O 118966307 STLBSFWSUKEUPF-GQCTYLIASA-N 244.246 2.890 30 20 BFED C=CCC[C@@H](O)CN1CCC[C@H]1CC(C)C 124894952 SSXUELHYRNLYJM-UONOGXRCSA-N 225.376 2.824 30 20 BFED C#CCSCCNC[C@H]1CCC[C@H](C)C1 128190235 BGFXTXUSWRHCMY-STQMWFEESA-N 225.401 2.769 30 20 BFED C=CCCSc1nc2nc(C)c(C)c(C)n2n1 128774823 ZKBFBOJUBUBKOS-UHFFFAOYSA-N 248.355 2.718 30 20 BFED C[C@H]1CCC[C@H](CNCC(C)(C)C#N)C1 129176381 GQTQNNNDSMXQSS-RYUDHWBXSA-N 208.349 2.952 30 20 BFED C[C@H](Nc1cccc(F)c1C#N)[C@@H]1CCOC1 135252658 QMIKJAJJKUIWHG-VHSXEESVSA-N 234.274 2.534 30 20 BFED N#Cc1ccc(CNCc2ccccc2O)s1 135689198 ULZABNDEYYTIIL-UHFFFAOYSA-N 244.319 2.615 30 20 BFED C=C[C@@H](C)N[C@H](C)c1cc(C)ccc1O 164622169 ZSWYEILLDHVFBU-GHMZBOCLSA-N 205.301 2.926 30 20 BFED C=CC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C 164968170 GOHHAXADXDZDHP-JTQLQIEISA-N 239.315 2.531 30 20 BFED C#CCCCOC(=O)c1cccc(Cl)c1 170714362 OXHHOJMJWBJFNH-UHFFFAOYSA-N 222.671 2.910 30 20 BFED CN(CC1CCCCC1)C[C@@H](C#N)CCC#N 171988580 LAGNCTTUACUELB-CQSZACIVSA-N 233.359 2.942 30 20 BFED CC[C@@H](Sc1ccccc1C#N)C(=O)OC 173717011 XUOKSTGJVLABHO-SNVBAGLBSA-N 235.308 2.602 30 20 BFED C=CCCCC(=O)NC[C@@H](OC)C(C)(C)C 176275443 AQVMYJRAXSNXQV-LLVKDONJSA-N 227.348 2.520 30 20 BFED C=CCCCC(=O)Nc1cc(C)cnc1OC 176338047 DDGXZYNKJLIAMO-UHFFFAOYSA-N 234.299 2.693 30 20 BFED C#CCCCNc1nnc(C(C)(C)C)s1 178782708 BHLXQHQRDIRJSE-UHFFFAOYSA-N 223.345 2.661 30 20 BFED C#CC[C@@H](C)OC(=O)c1cc2nc(C)ccc2o1 179170393 YBLNGJLUZYCZLB-SNVBAGLBSA-N 243.262 2.705 30 20 BFED C#CCCCCC(=O)N(C)C(C1CC1)C1CC1 179903514 CHHKRODDEOVKNB-UHFFFAOYSA-N 233.355 2.827 30 20 BFED CCCCC[S@@](=O)Cc1ccc(C#N)cc1 180534722 DLPHDDVPVDZRCL-MRXNPFEDSA-N 235.352 2.997 30 20 BFED C#Cc1cccc(N(CC)C[C@H](C)OC)c1 182332404 KFLDIEHLSLAFMV-LBPRGKRZSA-N 217.312 2.529 30 20 BFED Cc1cc(F)ccc1COC(=O)C(C)(C)C#N 182449970 JDSFKGVTKXOFMY-UHFFFAOYSA-N 235.258 2.727 30 20 BFED C=CCNC(=O)[C@@H](C)CCCc1ccccc1 183417777 UZUHHMYITJNGEW-ZDUSSCGKSA-N 231.339 2.948 30 20 BFED CC[C@@H]1[C@@H](C)CCN1C(=O)c1cccc(C#N)c1 185418637 GCZLSJRMRUTMLA-SMDDNHRTSA-N 242.322 2.819 30 20 BFED C[C@@H](CC1CC1)NC(=O)c1cccc(F)c1C#N 187985210 FVARXQYCVCOPOH-VIFPVBQESA-N 246.285 2.616 30 20 BFED Cc1ccc(N[C@H]2CCC[C@H](C#N)C2)nc1 193075249 ZEXXWGJTYAHCDQ-RYUDHWBXSA-N 215.300 2.884 30 20 BFED CCc1sc(C(=O)N[C@H](C)CC#N)cc1C 194717764 AECMETOIFWNGKW-SECBINFHSA-N 236.340 2.651 30 20 BFED CCC1CC(=O)C(=CNC2CCCCC2)C(=O)C1 194955854 NNSOMYBSYPKVOM-UHFFFAOYSA-N 249.354 2.751 30 20 BFED N#Cc1ccc(F)cc1CSc1ncco1 218810211 QINDAEKGZKRCEO-UHFFFAOYSA-N 234.255 2.978 30 20 BFED CCc1ccc(CN[C@@H](C)CC#N)cc1 219413176 ADAZOVJJVGTOCE-NSHDSACASA-N 202.301 2.641 30 20 BFED Cc1cc(C)c(C#N)c(N[C@H]2CCO[C@H](C)C2)n1 220063722 JUDXEOUIWAENMW-NEPJUHHUSA-N 245.326 2.550 30 20 BFED COc1cc(CN2CCCCCC2)ccc1C#N 234965889 OLZSYVNEFYHQRG-UHFFFAOYSA-N 244.338 2.943 30 20 BFED CSC1(CNc2snc(C)c2C#N)CC1 235230872 CWYZUUVVJSLMAG-UHFFFAOYSA-N 239.369 2.631 30 20 BFED CC[C@](C)(C#N)NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 252371725 CUXLJPIZTRYXMO-CIQGVGRVSA-N 234.343 2.621 30 20 BFED Cc1ccc(N/C(N)=N/C2CCC2)cc1C 262526337 KZUIPHRSINCOLL-UHFFFAOYSA-N 217.316 2.583 30 20 BFED C#CCCCCNc1ncnc2cccc(F)c12 268178449 KNRCBGPFWZAAGC-UHFFFAOYSA-N 243.285 2.984 30 20 BFED C=CCC(CC=C)C(=O)NOC1CCCC1 271820448 VQCQGAGFNYHURH-UHFFFAOYSA-N 223.316 2.745 30 20 BFED CC(C)(C#N)CCN[C@@H](CCO)c1ccccc1 272041027 QYFROTYNZQMFRS-AWEZNQCLSA-N 246.354 2.640 30 20 BFED N#CCCCNC1CC(c2cccc(F)c2)C1 273178546 NTSZLFJFRSJKRC-UHFFFAOYSA-N 232.302 2.965 30 20 BFED CC[C@H](CC#N)Nc1ncnc2sccc12 273824937 DTFPOXSRDDIXEH-MRVPVSSYSA-N 232.312 2.795 30 20 BFED Cc1ccn(CCCC(C)(C)C)c(=O)c1C#N 275418493 DKQHXDZJDPRBGM-UHFFFAOYSA-N 232.327 2.855 30 20 BFED CC#CC(=O)Nc1ccc2c(c1)O[C@@](C)(CC)O2 278402569 OURYBILQIAAUKZ-AWEZNQCLSA-N 245.278 2.546 30 20 BFED CC(C)(C#N)CC(=O)Nc1nc(C2CC2)cs1 278607990 VXHKXRRXVXFEQQ-UHFFFAOYSA-N 249.339 2.899 30 20 BFED C#Cc1cccc(NCC2CC(OCC)C2)c1 285294762 VPSKYZFZNHNHRN-UHFFFAOYSA-N 229.323 2.895 30 20 BFED Cc1ccnc(N2CCC[C@H](C3CC3)C2)c1C#N 288239227 OAKPFBBPWSDCQX-ZDUSSCGKSA-N 241.338 2.888 30 20 BFED C#C[C@@H](C)NCc1ccc(OCCC)c(OC)c1 289359562 KFKJYMFNYGEEAJ-GFCCVEGCSA-N 247.338 2.595 30 20 BFED CCc1nc(C)c(CN[C@@H]2CCC[C@H](C#N)C2)o1 291853547 GYVXYELHDHZCRN-NWDGAFQWSA-N 247.342 2.717 30 20 BFED C=CCOCCOc1ccc(F)cc1C(C)=O 292760837 SITGNHGKOWADLB-UHFFFAOYSA-N 238.258 2.610 30 20 BFED C=CCC(C)(C)CNC(=O)/C=C/c1cccnc1 293856491 VLNAESWHDXGQIB-BQYQJAHWSA-N 244.338 2.813 30 20 BFED C#C[C@@H](NC(=O)Nc1cscc1C)C(C)C 294091059 BPEHCOXXJHMTIX-SNVBAGLBSA-N 236.340 2.836 30 20 BFED C=C[C@](C)(CC)C(=O)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 295300890 GXFWPFOGXXPSMK-GRYWWWGRSA-N 245.366 2.869 30 20 BFED C=CCC1(C(=O)NCCC(C)(F)F)CCC1 295574992 MTENWTKYGVNRDZ-UHFFFAOYSA-N 231.286 2.894 30 20 BFED CNc1ccc(Nc2cccc(F)c2C#N)cn1 301149648 NXWABKPCYDAYRX-UHFFFAOYSA-N 242.257 2.878 30 20 BFED CC1(C)[C@H]2CN(c3cccc(F)c3C#N)C[C@@H]21 301451117 LOGWIRNHNZKPKY-QWRGUYRKSA-N 230.286 2.790 30 20 BFED C#C[C@@H](NCc1ccc(N(C)C)cc1)C(C)C 302292144 GMMTVGNFLWSAFK-OAHLLOKOSA-N 230.355 2.500 30 20 BFED N#C[C@H]1CC[C@H](NCc2cccs2)C1 306278455 QBOAAUJGMNHUQV-UWVGGRQHSA-N 206.314 2.530 30 20 BFED Cc1cc(C#N)cc(N[C@@H]2CCN(C)[C@H](C)C2)c1 308109744 UGUIWUARZOBGGW-TZMCWYRMSA-N 243.354 2.761 30 20 BFED CC(C)[C@@H](C#N)C=NOC/C=C\Cl 308143362 KCXXIWBQNWXMEB-COVYVEICSA-N 200.669 2.537 30 20 BFED N#C[C@H]1CC[C@H](NCc2ccc(Cl)nc2)C1 309485922 GKSNOHKEZQLYOS-ONGXEEELSA-N 235.718 2.517 30 20 BFED CC#CCCNCc1ncc(C(F)(F)F)s1 309527368 BGYNOEMWYUUYEA-UHFFFAOYSA-N 248.273 2.665 30 20 BFED CCc1ccc(Nc2cc(C#N)ncn2)cc1C 310729491 BOCQPSAHXMCDDT-UHFFFAOYSA-N 238.294 2.963 30 20 BFED Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCCC1(C)C 334748379 ISKJZFRYDWQGKY-LBPRGKRZSA-N 245.326 2.503 30 20 BFED C=CC1CCN(C(=O)[C@]23CCC[C@H]2C3)CC1 335505722 TXKMMBQNRNDSQU-JSGCOSHPSA-N 219.328 2.601 30 20 BFED N#Cc1c(F)cccc1N[C@H]1CC12CCOCC2 335647846 FBXKFCKJKGAGGD-ZDUSSCGKSA-N 246.285 2.678 30 20 BFED CC#CCCNC(=O)N1C[C@@H](C)c2ccccc21 335787751 AEYUKMRJQJYNKV-GFCCVEGCSA-N 242.322 2.733 30 20 BFED CN(CC#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 335810716 CQIXSLVHEYGEON-DTORHVGOSA-N 220.238 2.563 30 20 BFED CN(C(=O)NCCC#N)C1CCC(C)(C)CC1 336363978 KPAQTDHZKGLPIU-UHFFFAOYSA-N 237.347 2.510 30 20 BFED C=CC1CCN(C(=O)c2c(CC)noc2C)CC1 336632391 NIOHIHPXIROCJV-UHFFFAOYSA-N 248.326 2.584 30 20 BFED C[C@@H](NCCCCF)c1cccc(C#N)c1 336672481 SVDWBUOBUBTWPD-LLVKDONJSA-N 220.291 2.959 30 20 BFED CC[C@H]1C[C@H](C)CN1C(=O)NCCCCC#N 341112921 ABSRDUAWWGAWFA-RYUDHWBXSA-N 237.347 2.510 30 20 BFED CC1(C)CCN(C[C@@H](C#N)CCC#N)CC1 341199834 ZMVXIAGVRBNNHS-GFCCVEGCSA-N 219.332 2.552 30 20 BFED CCCN(CCC)C[C@H](C#N)CCC#N 341800921 TXIXWAZYIIAUET-LBPRGKRZSA-N 207.321 2.552 30 20 BFED CC1(C)CC[C@@H]1NCCOc1ccc(C#N)cc1 342713799 UETCUGRXYURRMJ-AWEZNQCLSA-N 244.338 2.715 30 20 BFED C[C@@H]1C[C@@H](CCNc2cccc(C#N)n2)CCO1 343646411 CJTGHMFJGURGPH-NEPJUHHUSA-N 245.326 2.570 30 20 BFED CSCC[C@@](C)(C#N)NC(=O)CCC(C)C 344687830 XTKNPCIWSBJDQM-LBPRGKRZSA-N 242.388 2.574 30 20 BFED C=CCCCCNC(=O)c1occ2c1CCC2 354890743 USQIXABHHWBECV-UHFFFAOYSA-N 233.311 2.854 30 20 BFED N#Cc1ncccc1N[C@H]1C[C@H]1Cc1ccccc1 357497844 BJIDSQGAGDAMTM-HIFRSBDPSA-N 249.317 2.996 30 20 BFED C=CCCC1(C(=O)N2CCC[C@@H]2CF)CC1 359643178 ZFXLBTGSYTVGHZ-LLVKDONJSA-N 225.307 2.693 30 20 BFED CC(C)(C#N)CCCN1[C@H]2CC[C@H]1CC(=O)C2 364521950 HJTBXVDQRFDMMF-RYUDHWBXSA-N 234.343 2.512 30 20 BFED CC[C@@](C)(C#N)C(=O)N1CC[C@H](c2ccco2)C1 368508742 UQJDARFIVQUFGA-FZMZJTMJSA-N 246.310 2.535 30 20 BFED CC1=CCC[C@H](C)[C@@H]1CNCC1(C#N)CC1 381023323 AVHPJCGLRPXPBY-QWHCGFSZSA-N 218.344 2.872 30 20 BFED C#C[C@H](NC(=O)[C@H]1CCC[C@H](C)C1)C(C)C 383492072 GGPOCAPKHJTWBW-AVGNSLFASA-N 221.344 2.587 30 20 BFED C#C[C@](C)(CC)NCCCOCc1ccccc1 384198842 KPWOHWBNXMEYOG-MRXNPFEDSA-N 245.366 2.985 30 20 BFED CC[C@H]1[C@H](C)CCN1c1ccc(C#N)c(C)n1 384288380 QVTMFWBZVBOMNG-MFKMUULPSA-N 229.327 2.887 30 20 BFED C=CCCCN[C@@H]1CCc2cccnc21 389410823 OWRGMNMRPKPXFJ-GFCCVEGCSA-N 202.301 2.625 30 20 BFED CC[C@@H](CC#N)NC[C@H]1CCCC1(F)F 390838213 BFEDQYMERCYKAS-ZJUUUORDSA-N 216.275 2.704 30 20 BFED C=C(Br)CN1CCC=C(Cl)C1 404379389 HURPSCIKLORPGK-UHFFFAOYSA-N 236.540 2.723 30 20 BFED CC[C@H](CC1CCCC1)C(=O)N(C)[C@@H](C)C#N 410881233 BSCTXYIKJADSQC-WCQYABFASA-N 236.359 2.963 30 20 BFED C=CCN(CC1CCCCC1)C[C@H]1C[C@@H](O)C1 420916747 PIOKKFYEDDOXEK-GASCZTMLSA-N 237.387 2.826 30 20 BFED N#CCCCN1CC2(CCC2)[C@H]1C1CCOCC1 425555519 QQNJWVIZEQOLHQ-CQSZACIVSA-N 248.370 2.571 30 20 BFED CC[C@@H](NC(=O)NCCC#N)c1ccc(C)cc1 426448963 FOJVEDWWDAOSRO-CYBMUJFWSA-N 245.326 2.659 30 20 BFED COc1ccc(C#N)cc1CN1CCC=C(C)C1 436264421 KHTSJVRSURSYOY-UHFFFAOYSA-N 242.322 2.719 30 20 BFED C=CCNC(=O)C(CC(C)C)CC(C)C 448566251 ZLFHUBYGEAGXJX-UHFFFAOYSA-N 211.349 2.997 30 20 BFED C=CC(C)(C)C(=O)NCCCOC1CCCC1 448827258 BPIZOKSOAXZWHI-UHFFFAOYSA-N 239.359 2.664 30 20 BFED C=CC[C@@H](C)[C@H](C)NC[C@@H]1CCCC[C@H]1O 449588511 KYARQTIJSRXKCE-ZOBORPQBSA-N 225.376 2.728 30 20 BFED CCC[C@@H](OC)C(=O)Nc1cccc(C#N)c1C 450175403 VZRAINKVDQOEQM-CYBMUJFWSA-N 246.310 2.620 30 20 BFED CC[C@H](CC#N)NC(=O)[C@@H]1CCC[C@H]1CC 450628137 VQVWIMJAXQGXMY-IJLUTSLNSA-N 222.332 2.621 30 20 BFED C=C[C@@H]1CCCCN1CCCC(=O)CC 450887329 YCKNMDKNVNLAJM-GFCCVEGCSA-N 209.333 2.786 30 20 BFED C=C(C)CCNC(=O)NCC1=CCCCC1 455146600 TZKQOXDMTIFKCV-UHFFFAOYSA-N 222.332 2.752 30 20 BFED C=CC(C)(C)C(=O)NCc1ccc(C#N)c(F)c1 456845285 UCHKHNPFPIKXGL-UHFFFAOYSA-N 246.285 2.526 30 20 BFED C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 458311245 XSCUZYXPVOBYFF-GRYCIOLGSA-N 221.344 2.894 30 20 BFED C=CCCCCCN1CCO[C@@H]2CCC[C@H]21 486691975 WIURDUIXZLLKCU-ZIAGYGMSSA-N 223.360 2.986 30 20 BFED N#CCC(=O)Nc1ccc(C(=O)C2CCC2)cc1 490310251 YTAAHONBVKXAAJ-UHFFFAOYSA-N 242.278 2.522 30 20 BFED C#C[C@@H](C)N(C)C(=O)N[C@@H](C)C1CCCCC1 491698737 MKOKYTINIHEBQT-NEPJUHHUSA-N 236.359 2.618 30 20 BFED C#C[C@@H](NC(=O)Cc1cccc(C)c1)C(C)(C)C 491701806 VFSPGNQLURKNTR-CQSZACIVSA-N 243.350 2.702 30 20 BFED C#C[C@H](NC(=O)N[C@H]1CCC[C@@H]2C[C@H]12)C(C)(C)C 491784286 QJMRDDITYGFENA-VOAKCMCISA-N 248.370 2.522 30 20 BFED C[C@H]1CC[C@](O)(c2ccccc2C#N)C1 521400572 AZUXUMOKRPLQNO-GXFFZTMASA-N 201.269 2.566 30 20 BFED C=CCN(CC=C)C(=O)N[C@@H]1CCC[C@@H](F)C1 566911817 NRIPAMPVEKENHX-VXGBXAGGSA-N 240.322 2.651 30 20 BFED C=CC(C)(C)CNCCC(=O)Nc1ccccc1 574444896 HEVIZGDMRCMGMU-UHFFFAOYSA-N 246.354 2.817 30 20 BFED C=CCCCCN(C)C(C)(C)C(=O)OCC 577974135 XHZMVSDYSGQDAW-UHFFFAOYSA-N 227.348 2.616 30 20 BFED CCN(C[C@H]1CCOC1)[C@@H](C#N)c1ccccc1 595297783 OQOAFEKQMKGNKW-HIFRSBDPSA-N 244.338 2.610 30 20 BFED C[C@H]1C[C@@H](C)N(CCc2ccc(C#N)cc2)C1 595326239 ATDLAJMZNWKNFL-QWHCGFSZSA-N 228.339 2.831 30 20 BFED C[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)C1CCC1 595571246 XCEIBUXWEQFGOQ-RYUDHWBXSA-N 249.358 2.510 30 20 BFED Cc1ccc2c(c1)CN(c1cc(C#N)ccn1)CC2 596409579 NJBLERFVMNOSNZ-UHFFFAOYSA-N 249.317 2.824 30 20 BFED CC[C@@H](C)N(CC)C(=O)c1ncc(C#N)cc1C 597856936 RIRHBKSAJMHLNF-LLVKDONJSA-N 245.326 2.522 30 20 BFED C=CCCSCCNC(=O)c1cccs1 597973783 MVOMJYYAEQBPJI-UHFFFAOYSA-N 241.381 2.787 30 20 BFED C[C@@H](CCC#N)CN1CCC[C@@H]1C1CC1 602463359 URERRPRODOPSIO-WCQYABFASA-N 206.333 2.801 30 20 BFED CCc1cccnc1NC[C@@H](C)CCC#N 602594914 SJEBRHMNZDIUAE-NSHDSACASA-N 217.316 2.996 30 20 BFED C=C(C)CCn1nc(C)c2cc([N+](=O)[O-])cnc21 603326165 LZAJJTGWVSKIQY-UHFFFAOYSA-N 246.270 2.614 30 20 BFED C=CCC1(NC(=O)c2ccc(C)n2C)CCCC1 619115063 SWGIZZWUUIIGHF-UHFFFAOYSA-N 246.354 2.952 30 20 BFED C=CC(C)(C)CCNC(=O)[C@]12CCC[C@H]1C2 628311981 JGFXCYGFJWEYPX-FZMZJTMJSA-N 221.344 2.895 30 20 BFED CC#CCN(C)C(=O)c1cc2cccc(F)c2o1 647542250 XVYDPVLREGGECG-UHFFFAOYSA-N 245.253 2.667 30 20 BFED C=CCN(Cc1noc(CCC)n1)C(C)(C)C 661755111 KDFIOUNTQFIIKO-UHFFFAOYSA-N 237.347 2.809 30 20 BFED C=CCN(CC=C)c1cc(C(C)(C)C)ncn1 663317110 LBSJYJDMOZIATL-UHFFFAOYSA-N 231.343 2.953 30 20 BFED C=CC[C@@H]1CCCC[C@@H]1NCCOCCF 663462037 SVDRPSFVCWGXQX-OLZOCXBDSA-N 229.339 2.697 30 20 BFED C=C[C@H](C)NC(=O)N1CC[C@@H]1c1cccc(F)c1 674934367 ZCPJDHPUBSEKMZ-GXFFZTMASA-N 248.301 2.857 30 20 BFED C#CCN(C(=O)Nc1ccccc1F)C(C)C 688897477 PYDAWYZMTLAMSQ-UHFFFAOYSA-N 234.274 2.701 30 20 BFED C[C@@H](CCC#N)N1CC[C@H](C(F)(F)F)C1 695813412 TVHDFLIFBAKALL-IUCAKERBSA-N 220.238 2.563 30 20 BFED C#CCOC(=O)Cc1cc(Cl)ccc1Cl 727039215 ASJYELSIVGWGQF-UHFFFAOYSA-N 243.089 2.712 30 20 BFED C[C@H]1C[C@@H](CC(=O)OCC#N)CC(C)(C)C1 727556483 ASRZAXJWKWUJDR-QWRGUYRKSA-N 223.316 2.906 30 20 BFED CC(CSC(C)(C)C)=NNc1ncccn1 729635449 UXFRDSDTAKEUPY-UHFFFAOYSA-N 238.360 2.796 30 20 BFED C#CCN(C)[C@H](CC)Cc1ccc(C)cc1 743856537 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30 20 BFED C=C[C@@H](C(=O)N1CCCC1)c1ccccc1 1520722487 KPKIMYAHBNNZRS-CYBMUJFWSA-N 215.296 2.579 30 20 BFED C=C[C@@H](C(=O)O)N1C[C@H](C(C)C)c2ccccc21 1588663944 MCMAPACGWFZZNW-OLZOCXBDSA-N 245.322 2.885 30 20 BFED C=CCCC(C)(C)NCc1ccc(C(=O)O)[nH]1 1588777822 MJUXZHQAGDIWQV-UHFFFAOYSA-N 236.315 2.547 30 20 BFED C=CC(C)(C)NCc1ccc(C(=O)O)cc1F 1602810219 VIJSMZXFDFNBFK-UHFFFAOYSA-N 237.274 2.578 30 20 BFED N#CC[C@H](C(=O)NC/C=C/Cl)c1ccccc1 1618496777 RZPYXLZSONFVLK-GXWOQWCDSA-N 248.713 2.553 30 20 BFED O=C(O)CNN=C1CCCC2(CCCCC2)C1 1776079285 RIURCWPPYGWZDN-UHFFFAOYSA-N 238.331 2.541 30 20 BFED C[C@@H](NCCC#N)c1cc2ccccc2o1 20199967 SVMHTZKMSHEIBG-SNVBAGLBSA-N 214.268 2.997 30 20 BFED C[C@H](C#N)Sc1ncnc2ccsc12 26956487 FFXZZRRGZMUYHY-ZCFIWIBFSA-N 221.310 2.695 30 20 BFED CCN(CCOc1ccccc1C#N)C(C)C 34674483 SKRLMIMFBDHIQY-UHFFFAOYSA-N 232.327 2.667 30 20 BFED C[C@@H](NCC1CC1)c1cccc(C#N)c1 37187379 SPXKZVULKVPFKU-SNVBAGLBSA-N 200.285 2.619 30 20 BFED N#Cc1ccc(Oc2cncc(Cl)n2)cc1 38082298 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C[C@H](C#N)CN(C)C(=O)C[C@H](C)C(C)(C)C 111617637 SZDDGYIDEJQYJV-MNOVXSKESA-N 224.348 2.677 30 20 BFED C[C@H](CC(=O)N(C)CCC#N)c1cccc(F)c1 116179811 DZHBREPUPLPTRN-LLVKDONJSA-N 248.301 2.691 30 20 BFED C=CC[C@H](C)NC(=O)[C@H](CC)OC1CCCC1 116849786 CHFKHINNHHMNKP-AAEUAGOBSA-N 239.359 2.805 30 20 BFED CC#CCNC(=O)[C@@H](C)c1cc2ccccc2o1 121162221 QJAMMPLLVWPWFQ-NSHDSACASA-N 241.290 2.676 30 20 BFED CCCCCCCn1ccc(C)c(C#N)c1=O 122003112 VPAVWDVWZLRUKM-UHFFFAOYSA-N 232.327 2.999 30 20 BFED CCN(Cc1cn2ccccc2c1C#N)C1CC1 125071157 GUANZUDHPCMYRD-UHFFFAOYSA-N 239.322 2.795 30 20 BFED C[C@H](CN(C)C)Nc1cc(Cl)ccc1C#N 130411557 ZGNAPBUKYUASGX-SECBINFHSA-N 237.734 2.574 30 20 BFED N/C(=N\CC1(C2CC2)CCC1)N1CCCCCC1 130657335 CLQQMZFLVYFXBE-UHFFFAOYSA-N 249.402 2.757 30 20 BFED CCCCCCNc1cccnc1C#N 133443696 IDFGLUNAZAJSLF-UHFFFAOYSA-N 203.289 2.945 30 20 BFED C=C[C@](C)(CC)C(=O)N1CCC[C@@H](C)C1 134904816 MSUBQRWJHWMWGJ-DGCLKSJQSA-N 209.333 2.847 30 20 BFED CSCC[C@H](C)N(C)c1ccc(C#N)nc1 135510683 GNTNVZJCDHDBSR-JTQLQIEISA-N 235.356 2.531 30 20 BFED Cc1cccc(C)c1C/N=C(/N)NC(C)(C)C 153334641 GXRQGXXCOLBLKM-UHFFFAOYSA-N 233.359 2.506 30 20 BFED CS[C@H]1CCCCN(c2ccc(C#N)cn2)C1 154673865 MAHIXLPZIRKTDA-LBPRGKRZSA-N 247.367 2.675 30 20 BFED N#Cc1cccc(N[C@@H]2CCN3CCC[C@@H]3C2)c1 155801409 BAVYBRYWPOSRCH-HUUCEWRRSA-N 241.338 2.597 30 20 BFED C[C@@H]1CCCCN1Cc1ccc(C#N)o1 158931063 DKORPNSLFTZPBD-SNVBAGLBSA-N 204.273 2.526 30 20 BFED C=C(Cl)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 161753771 PQTGQMAMCIEODL-VIFPVBQESA-N 240.690 2.998 30 20 BFED CC[C@](C)(C#N)NC(=O)/C=C/c1cccc(F)c1 162172936 LSVOUTLQDPYCPR-HSBSLETESA-N 246.285 2.647 30 20 BFED CCC1(CNCc2cccc(C#N)c2)CC1 165456322 ZVGLBRKNEPGLDN-UHFFFAOYSA-N 214.312 2.838 30 20 BFED CC#CCSCCOc1cccc(OC)c1 166779504 UKOIGMLOYPAJBN-UHFFFAOYSA-N 236.336 2.831 30 20 BFED CC#CCCNCc1cccc2cccnc12 168265564 JWPWNUFPJQZIGY-UHFFFAOYSA-N 224.307 2.738 30 20 BFED C[C@H](NC(=O)C(C)(C)C#N)[C@@H](C)c1ccccc1 177180056 GGYCGEDARNPPLF-NEPJUHHUSA-N 244.338 2.845 30 20 BFED CCN(C(=O)c1cc(C#N)c[nH]1)c1ccccc1 177524542 OLDFQFPKLNOOFB-UHFFFAOYSA-N 239.278 2.553 30 20 BFED C=C(C)COC(=O)c1ccc(N(C)C)cc1F 178526700 ZTMUOEYKODDJLI-UHFFFAOYSA-N 237.274 2.625 30 20 BFED C=C(C)CN(C)C(=O)CCOc1cccc(C)c1 180415198 TYAPJZJBOXABJK-UHFFFAOYSA-N 247.338 2.798 30 20 BFED C#CCCCCN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 182014483 LNWTXCOEIRPKOH-MJBXVCDLSA-N 235.371 2.583 30 20 BFED CC[C@H](C)[C@H](C)NCCOc1ccccc1C#N 183064814 JMZXJYGUVKKHSH-STQMWFEESA-N 246.354 2.961 30 20 BFED C#Cc1cccc(NC(=O)CCCC#CC)c1 184977257 HQVXLXSJHKTMCA-UHFFFAOYSA-N 225.291 2.800 30 20 BFED CCC(C)(CC)NCc1cc(C#N)n(C)c1 191089952 FUFOTYRMLAGORP-UHFFFAOYSA-N 219.332 2.565 30 20 BFED Cc1ccc(CNC[C@@H](C)C#N)cc1Cl 193735635 LUNBIZWCMUSYFW-VIFPVBQESA-N 222.719 2.898 30 20 BFED C=CCNC(=O)Cc1cccc(Cl)c1Cl 194159784 SRZAJVJQRJWDEA-UHFFFAOYSA-N 244.121 2.838 30 20 BFED N#Cc1cc(F)cc(NCc2cccnc2)c1 227606948 ZXNMTIBCMLZWBM-UHFFFAOYSA-N 227.242 2.704 30 20 BFED CN(CCCCC(C)(C)C#N)C(C)(C)C(=O)O 234270922 JJBHVVFUEVJEJD-UHFFFAOYSA-N 240.347 2.501 30 20 BFED C=CCCCCCN1CC[C@H](CCC(=O)O)C1 236418150 UZZYVYHFVVEYBS-ZDUSSCGKSA-N 239.359 2.920 30 20 BFED C[C@H](N[C@@H](C)[C@H]1CCOC1)c1cccc(C#N)c1 252715808 WTOCWOCDWNBWBV-HUBLWGQQSA-N 244.338 2.634 30 20 BFED CCC1(C/N=C\c2cc([N+](=O)[O-])ccc2O)CC1 255006296 WIRHMFQPMFBAJZ-ZSOIEALJSA-N 248.282 2.910 30 20 BFED N#C[C@@H]1CC[C@@H](OC(=O)/C=C\c2ccco2)C1 255445932 NOHSMDITMFBPJD-FNSKHJIESA-N 231.251 2.528 30 20 BFED Cc1csc(C(=O)N2CCC(CC#N)CC2)c1 259896696 PDQBVPKNCVGYHX-UHFFFAOYSA-N 248.351 2.822 30 20 BFED Cc1ncccc1CN1CCC(CC#N)CC1 260116664 QPTFHAIFVMVIQU-UHFFFAOYSA-N 229.327 2.516 30 20 BFED CC(C)N/C(N)=N/C[C@@H]1CCCC(C)(C)C1 263165263 REAQLJOTKQVBON-LLVKDONJSA-N 225.380 2.516 30 20 BFED C=C(Cl)CNC(=O)C1(Cc2ccccc2)CC1 267766493 SCYIJWOPGJZGFV-UHFFFAOYSA-N 249.741 2.878 30 20 BFED C=CCCN(Cc1ccccc1)[C@H](CO)C1CC1 270008677 XOMNOBMRRJOALR-MRXNPFEDSA-N 245.366 2.836 30 20 BFED C=C(C)CN(CC)C(=O)C[C@@H](OCC)C(=C)C 270014851 HAPGYWRGUFDYQH-CYBMUJFWSA-N 239.359 2.782 30 20 BFED C=CCC[C@H](O)CN1CCc2cccc(F)c2C1 271269316 WWGHQJORWNASLJ-ZDUSSCGKSA-N 249.329 2.511 30 20 BFED Cc1nn(C(C)(C)C)c(C)c1CNCCCC#N 273120719 ZHUCXSOJNBMGAV-UHFFFAOYSA-N 248.374 2.648 30 20 BFED C=CCCN(C)C(=O)NC[C@H]1CC=CCC1 276019618 AQFYCGCQFPGXJI-LBPRGKRZSA-N 222.332 2.560 30 20 BFED CC(C)=CCCNC(=O)c1ccc(C#N)cc1 276709408 PUINHVXPMWJPPD-UHFFFAOYSA-N 228.295 2.644 30 20 BFED C/C=C(\CC)C(=O)N[C@](C)(C#N)C(C)(C)C 277134513 JJKCEVZXMQVVTQ-UTSBKAFOSA-N 222.332 2.787 30 20 BFED C=CCCCCNC(=O)c1c(C)coc1C 284650249 KZKAAVAESZOMCB-UHFFFAOYSA-N 221.300 2.983 30 20 BFED Cc1nc(N(C)C2CC2)c(Cl)cc1C#N 290933298 JMHMHNDCZIQINX-UHFFFAOYSA-N 221.691 2.514 30 20 BFED C=CCC(C)(C)C(=O)NC1CCSCC1 293527393 WQHUAMVONHHFSJ-UHFFFAOYSA-N 227.373 2.601 30 20 BFED C=CC[C@H](C(=O)NOCC1CC1)c1ccccc1 293756618 LBLTYSYAICZZBB-AWEZNQCLSA-N 245.322 2.804 30 20 BFED CC#CCN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1C 294438075 GNVDVJMOJVLDON-LSDHHAIUSA-N 241.334 2.580 30 20 BFED CCOCCCNc1cc(C(C)=O)ccc1C#N 302118466 SMDIKWLWSRITDH-UHFFFAOYSA-N 246.310 2.599 30 20 BFED C=CCC[C@H](O)CN(CC)C1CCCC1 305086906 OFFBBGDUTXIESA-ZDUSSCGKSA-N 211.349 2.578 30 20 BFED C=C(Br)CN1C[C@@H](C)C[C@@H]1C 307733040 MSEDPEABZIRMKU-CBAPKCEASA-N 218.138 2.625 30 20 BFED Cc1cc(N2CCCCCC2)cc(C#N)n1 308276802 JFWVYUJCOOVZMT-UHFFFAOYSA-N 215.300 2.642 30 20 BFED C=C(CC)COC(=O)[C@@H](CC)SC 308425192 QTPASMSVHGWRMS-SECBINFHSA-N 202.319 2.637 30 20 BFED C[C@@H](CSC(C)(C)C)NCCCC#N 308673358 VNRBCXVPDZXILI-JTQLQIEISA-N 214.378 2.800 30 20 BFED C=CC[C@@H](CO)CNCCC1CCCCC1 309496528 KKJGFVPGXSCLSE-CQSZACIVSA-N 225.376 2.731 30 20 BFED Cc1cc(C(=O)Nc2cccc(CC#N)c2)co1 313412926 UHPSZHWRWLSGKT-UHFFFAOYSA-N 240.262 2.906 30 20 BFED C=C(CC)CNC(=N)Nc1ccccc1 313541496 SPPYUFYWGWWZLJ-UHFFFAOYSA-N 203.289 2.589 30 20 BFED C=CCC[C@H](CO)NCc1ccccc1Cl 320587095 YNTQOSUUIVJNAH-GFCCVEGCSA-N 239.746 2.757 30 20 BFED C=CCC[C@H](CO)NCc1ccc(F)cc1C 321066471 ZDHQQHAGYAZRJF-CQSZACIVSA-N 237.318 2.551 30 20 BFED C[C@@H]1C[C@H](C(O)=Nc2cccc(C3CC3)n2)CO1 329586717 YNIHRPJAQQTSNS-KOLCDFICSA-N 246.310 2.972 30 20 BFED Cc1noc(C/N=C(/O)c2occc2C(C)C)n1 330476690 VDVNIDVTBUXZCT-UHFFFAOYSA-N 249.270 2.599 30 20 BFED CC(C)C[C@](C)(C#N)NC(=O)C[C@H]1C=CCC1 330765100 SOQOQENCRPSUCQ-GXTWGEPZSA-N 234.343 2.787 30 20 BFED C[C@H]1C[C@@H](C)C[C@H](NC(=O)CC(C)(C)C#N)C1 334430362 VDIHWRXRKZZWDT-GDNZZTSVSA-N 236.359 2.867 30 20 BFED C=C[C@@H](C)NC(=O)c1nc2ccccc2s1 334468722 GMZFVXZXFLTZMN-MRVPVSSYSA-N 232.308 2.601 30 20 BFED C[C@H]1C[C@H]1CC(=O)Nc1ccc(F)cc1C#N 334594476 XYGUMAGJBWLFJD-IUCAKERBSA-N 232.258 2.682 30 20 BFED C=C(C)CCNC(=O)N1CC[C@@H]2CCC[C@@H]21 334695338 DWJDZZUVQVXPPV-RYUDHWBXSA-N 222.332 2.537 30 20 BFED N#CCCC1CCN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)CC1 335513965 VFAQAMOAQMQBNN-WDNDVIMCSA-N 246.354 2.575 30 20 BFED Cc1c(F)cccc1C(=O)N[C@@H](C#N)C(C)(C)C 335559394 YGYNZCBEQWUIGS-LBPRGKRZSA-N 248.301 2.802 30 20 BFED CC(C)[C@H]1CCC[C@@H](NC(=O)CC#N)CC1 335753273 DUYBUXNKHWDHJQ-NWDGAFQWSA-N 222.332 2.621 30 20 BFED CCN(C(=O)Nc1ccc(C#N)cc1)C1CCC1 335870511 UMDLHDREFYOBGE-UHFFFAOYSA-N 243.310 2.965 30 20 BFED C=C[C@@H]1OCC[C@H]1Nc1nccc2occc12 336265240 BWGQTHZAPABUKI-MNOVXSKESA-N 230.267 2.583 30 20 BFED C[C@H]1C[C@]1(NC(=O)CC#N)c1ccc(Cl)cc1 336339869 XFLUQTCBDNHLMR-TVQRCGJNSA-N 248.713 2.605 30 20 BFED CC(C)(C#N)CCN1C[C@H]2[C@H](C1)C2(C)C 336488504 REDHZDQDJYCCMG-QWRGUYRKSA-N 206.333 2.514 30 20 BFED CSC1(CN[C@@H]2CC[C@@H](C#N)C2)CCC1 336664709 CXESRABTQRZSML-GHMZBOCLSA-N 224.373 2.554 30 20 BFED CSC1(CN[C@H]2CC[C@@H](C#N)C2)CCC1 336664744 CXESRABTQRZSML-MNOVXSKESA-N 224.373 2.554 30 20 BFED Cc1c(C#N)cccc1C(=O)N1CCC=C(F)C1 338171757 CJGSETCMFLIRPA-UHFFFAOYSA-N 244.269 2.566 30 20 BFED CCC[C@H](C#N)N(C)C(=O)Cc1ccccc1C 339167129 GFHMDRKHVYJSFB-CQSZACIVSA-N 244.338 2.688 30 20 BFED C=C(C)[C@H](CC(=O)N(CCC)C1CC1)OCC 339346053 LKDRNUIGMUPPJC-ZDUSSCGKSA-N 239.359 2.759 30 20 BFED C=CCCC[C@H](C)N[C@@H]1CN(C2CC2)C[C@@H]1C 344340216 XZGLLVVVKBQHKI-KCQAQPDRSA-N 236.403 2.804 30 20 BFED CC(=O)c1ccc(OCC2(C#N)CC2)cc1 347024524 SXUMGKUVHGJFIR-UHFFFAOYSA-N 215.252 2.572 30 20 BFED C[C@@H](CCn1cccn1)NCC(C)(C)CCC#N 348209438 YJFMTXVUFFOYKG-ZDUSSCGKSA-N 248.374 2.581 30 20 BFED C=CCn1cccc1C(=O)NCCC1(C)CC1 352119571 DTBAKQCGMWSOIZ-UHFFFAOYSA-N 232.327 2.594 30 20 BFED CC1(C)C[C@@H]1CNC(=O)c1cccc(CC#N)c1 352291021 VYGLVFMJEKXDPL-CYBMUJFWSA-N 242.322 2.529 30 20 BFED C=C[C@](C)(O)CC(=O)N(CCCC)CCCC 352709813 NOQYIKVTGLJMQD-AWEZNQCLSA-N 241.375 2.742 30 20 BFED C=C[C@H](C)NC(=O)C(C1CCC1)C1CCC1 353751936 QPJMILIVVDHPLT-JTQLQIEISA-N 221.344 2.894 30 20 BFED CC(C)CCN(CCC#N)C(=O)C[C@H]1C[C@@H]1C 354825616 SWTBXVQYXXQVAV-QWHCGFSZSA-N 236.359 2.821 30 20 BFED C=CCN(C(=O)C[C@@H](OCC)C(C)C)C1CC1 357514340 WFPNLAGBFGPPOT-CYBMUJFWSA-N 239.359 2.615 30 20 BFED C=C(C)CN(C)C(=O)NCC(C)(C)CCC#N 358684927 LPAPITGEBCQZCF-UHFFFAOYSA-N 237.347 2.534 30 20 BFED CCN(CCC#N)C(=O)[C@H]1CCC(C)(C)C1 358982678 PCHYPFSJSIVSLW-NSHDSACASA-N 222.332 2.575 30 20 BFED C=CCN(CCC#N)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 359440881 OGNBXVRRZYNXJD-IHRRRGAJSA-N 246.354 2.741 30 20 BFED CCO[C@H]1C[C@H](NCC2(CC#N)CC2)C12CCC2 366835583 WKOGUYLSTVCLOG-STQMWFEESA-N 248.370 2.618 30 20 BFED CC(=NOC/C=C/Cl)c1ccc(N)cc1 379949245 KBZGLZMLOAKWCB-LTLPNOEFSA-N 224.691 2.762 30 20 BFED CCC(C#N)(CC)C(=O)NCCSC(C)C 380787062 DEVCTEYOKNNQMC-UHFFFAOYSA-N 242.388 2.574 30 20 BFED N#CCc1cccc(NC/C=C/C2CC2)n1 393495875 RTCHAFPCAOMSFF-NSCUHMNNSA-N 213.284 2.526 30 20 BFED C=CC[C@H](CC)NC(=O)C(C#N)(CC)CC 393825416 ZPVYYSAWPDJPSJ-NSHDSACASA-N 222.332 2.787 30 20 BFED C=CCCC[C@H](C)NC(=O)c1cccc(F)n1 398034836 ACUMOUBUEWZXHK-JTQLQIEISA-N 236.290 2.695 30 20 BFED C=CCCC[C@@H](C)N[C@@H]1COC(C)(C)C1 398147533 CGCFJMPKPIZCCI-NEPJUHHUSA-N 211.349 2.888 30 20 BFED C#C[C@@](C)(CC)NCC=C(Cl)Cl 403752094 PDOMCALRGULQBD-VIFPVBQESA-N 206.116 2.697 30 20 BFED CCCC[C@H](C)C(=O)N(C)[C@@H](C#N)CCC 410831847 AZNJAIKRJBHOIG-NWDGAFQWSA-N 224.348 2.963 30 20 BFED C=C(C)C[C@@H](C)c1nc(C2(N)CCCC2)no1 414621169 RBVJHUGCKDYUJQ-SNVBAGLBSA-N 235.331 2.867 30 20 BFED C=C(CC)CNC(=O)N1C[C@H](C)[C@H](C)[C@H]1C 416717023 HJVPUJZCOHCHFA-SDDRHHMPSA-N 224.348 2.639 30 20 BFED CC(C)[C@@H]1CCCN(c2ccc(C#N)nc2)C1 443981865 BDTQJFSLVQDMJG-GFCCVEGCSA-N 229.327 2.826 30 20 BFED C=CCN1CCC(N[C@H](CC)C2CCC2)CC1 449120205 CFNDBJOYUZAZHZ-OAHLLOKOSA-N 236.403 2.805 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@@H]1CCC[C@H](CC)C1 449519791 NKGXDSCENQLFFT-DGAVXFQQSA-N 223.360 2.888 30 20 BFED C=CC(C)(C)CN=c1cc[nH]c2ccncc12 450731590 ZGFOHKJQVGMVIT-UHFFFAOYSA-N 227.311 2.676 30 20 BFED C=CCN(C)C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 450790118 KPLLEZPGCJXVBZ-QJPTWQEYSA-N 209.333 2.703 30 20 BFED CN(CCC(C)(C)C#N)[C@@H](CO)CC(C)(C)C 451784754 DZWLJNSHIIHESE-GFCCVEGCSA-N 240.391 2.655 30 20 BFED C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCCC[C@@H]1C 453348187 KWMCSIGJTHRZOV-DGAVXFQQSA-N 223.360 2.888 30 20 BFED C=C(CC)CNC(=O)N[C@@H]1CCc2ccccc21 454231174 YEXQMGRGOBKRBK-CQSZACIVSA-N 244.338 2.939 30 20 BFED CC1(C)CC=C(C(=O)NCCCC#N)CC1 455999983 FEPYYDKYIVJKHF-UHFFFAOYSA-N 220.316 2.543 30 20 BFED C=CCCCCCN1CCc2n[nH]cc2C1 488156395 YKUISYRKUMSSON-UHFFFAOYSA-N 219.332 2.514 30 20 BFED C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@]1(C)CC 488820636 SRGYBIXNUILYAM-YRGRVCCFSA-N 221.344 2.990 30 20 BFED C#C[C@H](CCC)NC(=O)/C(C)=C(/C)CC 491242641 REWSJVXUMJNZAY-NLYDNYMLSA-N 207.317 2.651 30 20 BFED C#C[C@H](C)N(C)CCCc1ccccc1 491486525 WWNIBLKKDJNUAD-ZDUSSCGKSA-N 201.313 2.573 30 20 BFED C#C[C@@H](NC(=O)N(C)C[C@H](C)CC)C(C)(C)C 491628083 KMQMUVIZWUEAIS-VXGBXAGGSA-N 238.375 2.722 30 20 BFED CCC[C@@H](C#N)NC(=O)[C@H](C)c1ccccc1F 517519406 DHUGWZSIDZKSQH-MNOVXSKESA-N 248.301 2.738 30 20 BFED CCC[C@H](C#N)NC(=O)C1(CC(C)C)CC1 517728397 OXIYCKCZZYGBSD-LLVKDONJSA-N 222.332 2.621 30 20 BFED C[C@H]1CCCC[C@H]1Cn1cccc(C#N)c1=O 519831413 DHALRJTUADIAGG-AAEUAGOBSA-N 230.311 2.546 30 20 BFED Cc1cn(CCOc2ccccc2)cc1C#N 531578074 FVBDKRHSNILWKN-UHFFFAOYSA-N 226.279 2.747 30 20 BFED CC#CCNC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 535710752 ASWOJWWVNYNSEO-STQMWFEESA-N 235.371 2.978 30 20 BFED CC(F)(F)CNc1c(C#N)nnc2ccccc12 555205211 AQKMNXIKKUAKNN-UHFFFAOYSA-N 248.236 2.569 30 20 BFED CCc1cccc(CNCCCC#N)c1 564217290 GURNTBXJRYSSST-UHFFFAOYSA-N 202.301 2.642 30 20 BFED CC(C)CC(CC(C)C)C(=O)NC1(C#N)CC1 565580143 XXNQAJDOEVAYBM-UHFFFAOYSA-N 236.359 2.867 30 20 BFED N#CCCN[C@@H]1CC[C@H](c2cccc(F)c2)C1 570564963 RKZSIZDUBAPSQD-GXTWGEPZSA-N 232.302 2.965 30 20 BFED CC(C)n1cc([C@@H](C)NCC2(C#N)CCC2)cn1 574485454 WKMUIRGDQLHCEP-GFCCVEGCSA-N 246.358 2.808 30 20 BFED C=CCCCCCNc1nccn(C2CC2)c1=O 576172340 JOIIQEQGPNPMOU-UHFFFAOYSA-N 247.342 2.737 30 20 BFED C[C@H]1CCN(C(=O)CCCCCC#N)C[C@@H]1C 588663261 MDMRUZXIGYWOEM-STQMWFEESA-N 236.359 2.965 30 20 BFED N#CCC1CCN(C(=O)CCCC2CC2)CC1 589713571 WCMIOYYPZFEIIB-UHFFFAOYSA-N 234.343 2.719 30 20 BFED CC(C)=CCNc1nc(C#N)ccc1C 596208240 RVRILPIFWOUALG-UHFFFAOYSA-N 201.273 2.640 30 20 BFED C=CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1C 596844408 XLUDCKXECXJIFK-UHFFFAOYSA-N 249.270 2.601 30 20 BFED CCN(CC#N)Cc1cc2c(C)cccc2[nH]1 596991619 MRVADJNBLPXGGT-UHFFFAOYSA-N 227.311 2.822 30 20 BFED C[C@@H](C#N)C(=O)N1CC[C@@H](C2CCCCC2)C1 598151277 SXKBKCRILIZFEJ-WCQYABFASA-N 234.343 2.575 30 20 BFED CC[C@@](C)(C#N)NC(=O)C[C@H](C)c1ccco1 599232679 FSVKUPFRMFLLAL-GWCFXTLKSA-N 234.299 2.582 30 20 BFED Cc1nc(N2CC(c3ccccc3)C2)ccc1C#N 601210408 PIUWEHQQVHVTFH-UHFFFAOYSA-N 249.317 2.866 30 20 BFED Cc1cc(C)c(C(=O)N[C@@]2(C#N)CC2(C)C)s1 601590897 YBXRWEAZIRURFN-CYBMUJFWSA-N 248.351 2.787 30 20 BFED CCCCC1=NN(c2cccc(C#N)c2)C(=O)C1 601930433 GNRLSCFQKSNRDU-UHFFFAOYSA-N 241.294 2.841 30 20 BFED CO[C@@]1(C)CCCN(CC2(CC#N)CC2)CC1 602819901 FGDRQXMKACYWBA-ZDUSSCGKSA-N 236.359 2.571 30 20 BFED CC(C)Oc1ccc(C(=O)N[C@@H](C)CC#N)cc1 604575159 BRCGODSLLNSFEC-NSHDSACASA-N 246.310 2.506 30 20 BFED CC(C)=C[C@H]1[C@H](C(=O)NCCCC#N)C1(C)C 612060006 IZUXWIJOCHAJOB-NWDGAFQWSA-N 234.343 2.645 30 20 BFED C=CCN(C(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2)C1CC1 637081271 YEUFSYVEJRNVIQ-HUBLWGQQSA-N 233.355 2.990 30 20 BFED C=CCNC(=O)C1(c2ccc(C)cc2)CCC1 644536787 DJIQYNMDLCWYTR-UHFFFAOYSA-N 229.323 2.719 30 20 BFED C=C(C)C(C)(C)C(=O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 644676908 JLFDAFPLBGSPOG-NNYUYHANSA-N 233.355 2.749 30 20 BFED C=CCCCCNc1ccc(F)c(C(N)=O)c1 651201736 MZEFLWAMGWJQRZ-UHFFFAOYSA-N 236.290 2.693 30 20 BFED C=C(C)COCCN[C@H]1[C@@H]2CCC[C@@H]2C1(C)C 657929656 ZTGBBHINZYXFBU-RDBSUJKOSA-N 237.387 2.993 30 20 BFED C=CCCN[C@H](C)c1ccc(OC)c(O)c1 658115874 XBEYLUJXORUNCT-SNVBAGLBSA-N 221.300 2.628 30 20 BFED C=CCCNC(=O)N1CCc2cc(C)ccc2C1 661565773 TULNWLAPGXHOFI-UHFFFAOYSA-N 244.338 2.639 30 20 BFED C=CC[C@H](CC)NC(=O)N1C[C@@H]2CCCC[C@@H]21 664809146 GIIJVQYLRDIWMV-AVGNSLFASA-N 236.359 2.925 30 20 BFED C=C[C@](C)(O)C(=O)Nc1ccc(C(C)(C)C)cc1 665097567 RLTLEFWZJPUOJG-HNNXBMFYSA-N 247.338 2.860 30 20 BFED C=CCCNC(=O)NC1(C)CCC(F)(F)CC1 665944455 QBVMPVRBIYSOBM-UHFFFAOYSA-N 246.301 2.830 30 20 BFED CC#CCCNC(=O)N[C@H](C)c1ccsc1 670152969 FPAWCPSFMULPFU-SNVBAGLBSA-N 236.340 2.522 30 20 BFED C/C=C/c1ccc(OCC#CCOC)c(OC)c1 677888457 SIOSPTOYKFMGAV-QPJJXVBHSA-N 246.306 2.757 30 20 BFED CC(F)(F)CNc1cc(C#N)sc1[N+](=O)[O-] 697599469 PRUFXQPDLXAXOF-UHFFFAOYSA-N 247.226 2.595 30 20 BFED C=CC[C@H](C)N1Cc2ccccc2[C@H](C(=O)O)C1 715022337 HZMLOAKVLHDHOS-SMDDNHRTSA-N 245.322 2.635 30 20 BFED Cc1coc(C(=O)Nc2sccc2C#N)c1 718482925 VJUCNTRKLLOOKN-UHFFFAOYSA-N 232.264 2.774 30 20 BFED C=CCN(C(=O)NOCc1ccccc1)C(C)C 728752768 RSAVNTCZGPCJSM-UHFFFAOYSA-N 248.326 2.724 30 20 BFED CCC(=NNc1cc(C)nc(C)n1)C1CC1 741162232 BCTDSGQJDKAKHQ-UHFFFAOYSA-N 218.304 2.681 30 20 BFED C#CCN(CC)CCO[C@@H]1CCCC[C@@H]1C 749154574 CXAKQUUCSVQEPB-UONOGXRCSA-N 223.360 2.537 30 20 BFED CC(C)CSCCCOC(=O)C(C)(C)C#N 751681500 CQQKHMJLYOYRGE-UHFFFAOYSA-N 243.372 2.859 30 20 BFED C#C[C@H](CC)NC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C 753135273 HYSNELLBFHEOKB-UMSGYPCISA-N 236.359 2.522 30 20 BFED C[C@H]1CC/C(=C\C(=O)N(CCC#N)CC2CC2)C1 753613460 VRMUTDSUYUUCLS-LQELWAHVSA-N 246.354 2.885 30 20 BFED CCn1ccnc1C=NNc1ccc(F)cc1C 755801658 JSLQYZVEJUSCPL-UHFFFAOYSA-N 246.289 2.797 30 20 BFED C=CCCCC(=O)OCCc1c(C)noc1C 756198997 KKGYZIWHUNIDJF-UHFFFAOYSA-N 237.299 2.733 30 20 BFED C=CCC[C@@H](C)NC[C@@H]1COC2(CCCC2)O1 756787281 PHGHSNKSKDIMLH-CHWSQXEVSA-N 239.359 2.616 30 20 BFED Fc1cc(C=NNC2CC2)ccc1Cl 758127948 TXDYFRLXVYBJQU-UHFFFAOYSA-N 212.655 2.565 30 20 BFED CC[C@H]1CCCC1=NNc1ccnc(N(C)C)n1 758378008 HVBYSCCQZTVMSM-JTQLQIEISA-N 247.346 2.521 30 20 BFED CCC(CC)NN=Cc1ccc(C)cn1 761813763 XLYYEYZONLZFSM-UHFFFAOYSA-N 205.305 2.502 30 20 BFED COCc1ccc(C=NOCC(F)(F)F)cc1 764844589 JMNMEKPYOKJZIL-UHFFFAOYSA-N 247.216 2.746 30 20 BFED CC(C)[C@H]1CC(=Nn2cnnc2)c2ccccc21 766425341 ZHTJPSDRWGXZDM-CYBMUJFWSA-N 240.310 2.674 30 20 BFED C#CCCCN(C)[C@H]1C[C@H](OCC)C1(C)C 766902365 HABBCRPDJCSXSA-STQMWFEESA-N 223.360 2.535 30 20 BFED CON=Cc1c(C)nn(-c2ccccc2)c1Cl 767478521 WEHJZMDMYVNFSD-UHFFFAOYSA-N 249.701 2.814 30 20 BFED Cc1cccc(F)c1NN=C1CCO[C@H]1C 769829069 ZHRPOSIWTQSHGK-VIFPVBQESA-N 222.263 2.711 30 20 BFED CC(=NNCC(C)C)c1ccc(O)c(F)c1 771562077 OZYNHGWFRQKRTF-UHFFFAOYSA-N 224.279 2.501 30 20 BFED Cc1ccccc1C(=O)/C=C/c1ccn(C)n1 773153161 APMMRZVEXGEOHC-BQYQJAHWSA-N 226.279 2.625 30 20 BFED C#C[C@@H](NCC1CCCCCC1)[C@@H]1CCCO1 775339288 BGHCCBXEZVKUOS-CABCVRRESA-N 235.371 2.727 30 20 BFED C#CC[C@H](NC[C@H]1CCCCO1)c1ccccc1 775401710 YNLRJRDLBKNLHS-CVEARBPZSA-N 243.350 2.910 30 20 BFED C=CCCC[C@H](C)NC(=O)NOC1CCCC1 775756451 CFTHNJYBWDJPAA-NSHDSACASA-N 240.347 2.905 30 20 BFED N#CC1(COC(=O)/C=C\c2ccccc2)CC1 775828149 NWEQDWINHVGMQC-SREVYHEPSA-N 227.263 2.547 30 20 BFED C=C(C)CN(C)C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 777918329 MDOBDTKNOWEBSU-SDDRHHMPSA-N 238.400 2.557 30 20 BFED CCCCNN=C(C)c1ncccc1CC 779774029 XUUKCMFGLMTUAH-UHFFFAOYSA-N 219.332 2.758 30 20 BFED C[C@@H]1CC[C@H](NCc2ccc(C#N)cn2)C[C@H]1C 780555335 GTRVTYFASJAAFF-BZPMIXESSA-N 243.354 2.868 30 20 BFED C[C@@H]1CCCC(=NNc2cccnn2)[C@@H]1C 781126933 JBHROTXOLRWRJV-NXEZZACHSA-N 218.304 2.701 30 20 BFED C=CCCCCCOC(=O)[C@H]1CCCOC1 783440204 VHIIRQVABSDKPP-LBPRGKRZSA-N 226.316 2.703 30 20 BFED Cc1cc(C=NNc2ccccn2)cc(Cl)n1 788701002 WRNWNJNLTSJDEE-UHFFFAOYSA-N 246.701 2.884 30 20 BFED Cc1cccnc1NN=Cc1cccc(F)c1O 790185056 ACLWCYPYAVSNBC-UHFFFAOYSA-N 245.257 2.681 30 20 BFED C=CCC1(C(=O)O[C@@H](C)c2ccnn2C)CCC1 791928716 FGVUYRQKZXLHAF-NSHDSACASA-N 248.326 2.771 30 20 BFED C=C(Cl)CN(CCC)[C@H](CC)C(=O)OCC 792375116 GINXZOGTRKZWQI-LLVKDONJSA-N 247.766 2.793 30 20 BFED CC(C[C@H]1CCOC1)=NN[C@H](C)C(C)(C)C 793114475 GZCBZAXMMQROID-VXGBXAGGSA-N 226.364 2.813 30 20 BFED Fc1cccnc1NN=C1CC2(CCC2)C1 794988959 BUPKFDDEUQCOGM-UHFFFAOYSA-N 219.263 2.953 30 20 BFED CCCCCCCCN1CC[C@@](C)(C(N)=O)C1 796574969 JYSGETWPOWANSD-CQSZACIVSA-N 240.391 2.544 30 20 BFED C=CCC(C)(C)C(=O)O[C@@H]1CC[C@H](OC)C1 797243299 KQGVSEATTOJOJO-WDEREUQCSA-N 226.316 2.699 30 20 BFED Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)C2)cc1C#N 799372740 ZSAJGFRXFNQQAY-IINYFYTJSA-N 242.322 2.785 30 20 BFED C/C=C(\C)C(=O)Oc1ccc(C#N)cc1CC 799441359 VJJAQBKJJJYDBC-ONNFQVAWSA-N 229.279 2.992 30 20 BFED c1ccc(NN=C2CCC23CCC3)nc1 799869583 XJWYXMWAVAVOBU-UHFFFAOYSA-N 201.273 2.814 30 20 BFED C[C@@H](C#N)CNN=C1CCC[C@@H]1CCCF 800814808 ZEQHFIUSPZENLZ-WDEREUQCSA-N 225.311 2.641 30 20 BFED CCC[C@@]1(C)CCCN(CCO[C@H](C)C#N)C1 801925246 JGILATLNRHOKDK-KGLIPLIRSA-N 238.375 2.817 30 20 BFED C=C(C)CCOC(=O)c1c(F)cc(O)cc1F 803358725 UVLXOEJIKHOFON-UHFFFAOYSA-N 242.221 2.793 30 20 BFED CC[C@@](C)(C#N)C(=O)OCCCC(C)(C)C#N 803781021 BCCXGJMDHHTVNU-ZDUSSCGKSA-N 236.315 2.799 30 20 BFED C=C(CNC(=S)N[C@@H](C)CC)c1ccccc1 806595862 XWNBKJORQNIRGV-LBPRGKRZSA-N 248.395 2.962 30 20 BFED C[C@H](C#N)CNN=C1C[C@@H](C)c2ccccc21 807978598 XYSFAAXLIQJTOZ-GHMZBOCLSA-N 227.311 2.647 30 20 BFED C#CCCc1noc([C@@H](C)CCCC)n1 809396747 PKIFHBWHCQQIGR-JTQLQIEISA-N 206.289 2.929 30 20 BFED CSCC(C)(C)C(=O)OCC1(C#N)CCC1 810679246 NZUHYRZNNVMPLZ-UHFFFAOYSA-N 241.356 2.613 30 20 BFED C[C@H](COc1ccccc1)NN=C[C@@H]1C[C@H]1C 811666228 AWFFKNSEAFVDOJ-UPJWGTAASA-N 232.327 2.685 30 20 BFED C=CCCc1ccccc1NCc1cnn(C)n1 811772104 RNOIPOCGVQRPOH-UHFFFAOYSA-N 242.326 2.546 30 20 BFED C1CC2(CCO1)CCC2=NOCCC1CC1 814246272 YIDMIEYJDLTWJD-UHFFFAOYSA-N 223.316 2.750 30 20 BFED CC(CCCO)=NNc1nccc2sccc12 814809256 UGDUYGYVXJKBPL-UHFFFAOYSA-N 249.339 2.857 30 20 BFED Fc1ccc(NN=C2CCn3cccc32)cc1 818204682 ZMZJXCYMJQBJQQ-UHFFFAOYSA-N 229.258 2.847 30 20 BFED CC[C@H](C)CONc1c(C#N)cccc1[N+](=O)[O-] 819930079 GWPBHVBOBSKBPZ-VIFPVBQESA-N 249.270 2.856 30 20 BFED C#C[C@H](CCC)NC(=O)N1CC(CC)(CC)C1 820660709 KJMWHOIKPJCYRZ-GFCCVEGCSA-N 236.359 2.620 30 20 BFED C#CC1CCN(CC#Cc2ccc(F)cc2)CC1 830342784 ASCYLOTVTRZKKZ-UHFFFAOYSA-N 241.309 2.522 30 20 BFED N#CC1(COC(=O)/C=C/C2CCCC2)CCC1 830788457 PJAOPDWUAPZYKI-VOTSOKGWSA-N 233.311 2.970 30 20 BFED COc1ccnc(NN=C(C)CC(C)(C)C)n1 834939011 VOFMQUFZUPASCT-UHFFFAOYSA-N 236.319 2.709 30 20 BFED CC(Cc1ccccn1)=NNC1CCCCC1 834973025 RFJQKRKLHREZPY-UHFFFAOYSA-N 231.343 2.922 30 20 BFED CCC[C@@H](C=NOC[C@@H](C)CC)OC 834981319 MLUSQUACRNCFGZ-QWRGUYRKSA-N 201.310 2.850 30 20 BFED Cc1ccc(NN=C2CCOC2)c(Cl)c1 835011344 IUOGSURMQDPHCB-UHFFFAOYSA-N 224.691 2.837 30 20 BFED C=CC(C)(C)C(=O)[C@H](C#N)c1nc(C)cs1 835035301 GOPUEJILMOCTMO-VIFPVBQESA-N 234.324 2.840 30 20 BFED C#C[C@@H](OC(=O)c1scnc1C(C)C)C1CC1 835253104 UKJHJSBENWYEBA-SNVBAGLBSA-N 249.335 2.835 30 20 BFED N#CCCCC(=O)N1CCCCCCCC1 836922498 WSSXBILEHYNVFF-UHFFFAOYSA-N 222.332 2.863 30 20 BFED C=CCONC(=O)[C@H](CC)CCCCC 837048644 VRVDJEFDXYAHTP-LLVKDONJSA-N 213.321 2.827 30 20 BFED C=CCONC(=O)CC1CC(c2ccccc2)C1 837049577 KFENGKYSYVNYFV-UHFFFAOYSA-N 245.322 2.804 30 20 BFED C=C(CC)CNC(=O)C(C)=C1CCCC1 837099399 SPEFEJVHQRPOLQ-UHFFFAOYSA-N 207.317 2.959 30 20 BFED C[C@@H]1CCCN(C(=O)C#CC(C)(C)C)CC1 837371768 DPRLVIHDVSEBHK-GFCCVEGCSA-N 221.344 2.685 30 20 BFED N#C[C@H]1CCC[C@@H](OC(=O)c2ccsc2)C1 839041015 AJVAYDDHWDIQAD-GXSJLCMTSA-N 235.308 2.987 30 20 BFED C[C@H](CCC#N)N1CC[C@@H](c2ccccn2)C1 839591624 LJVHUBXOZKRUSQ-CHWSQXEVSA-N 229.327 2.563 30 20 BFED CC(C)[C@@H]1C[C@H]1/N=C/c1ccccc1O 840712579 ZSWCPSGGCXWPIA-MHPRJNMPSA-N 203.285 2.856 30 20 BFED C[C@@H]1CN(C(=O)C#CC(C)(C)C)[C@@H](C)[C@H]1C 841460777 KQTNLWDNBLFOJT-WOPDTQHZSA-N 221.344 2.539 30 20 BFED C=C(Cl)CN1C[C@@H](CC)OC[C@H]1CC 844388225 QFJFJQVVZYTXND-GHMZBOCLSA-N 217.740 2.628 30 20 BFED CC(C)c1ccccc1C=NN[C@@H]1CCC[C@H]1O 848411869 DOBZGBXJVYNJPT-HUUCEWRRSA-N 246.354 2.647 30 20 BFED C=CC[C@H](C)NCc1ccc(/C=C/C(=O)OC)o1 848896768 IVVIOJRFHSSVBS-FBOQAHMBSA-N 249.310 2.520 30 20 BFED C#C[C@@H](C)OC(=O)[C@@H]1C[C@H]1c1ccccc1C 850857090 NISBVONFIDZUNL-KWCYVHTRSA-N 228.291 2.663 30 20 BFED C#CCN(CC)C[C@@H](CC)CC(F)F 851800009 VVLIRNBUFBYDPW-JTQLQIEISA-N 203.276 2.623 30 20 BFED C#Cc1cccnc1N1C[C@H](C)C[C@@H](C)C1 853084034 BTUWHVVNFOEHIV-VXGBXAGGSA-N 214.312 2.545 30 20 BFED C#Cc1cccnc1NC[C@@H]1CC=CCC1 853234007 MDMWXSPKZOYYLI-GFCCVEGCSA-N 212.296 2.831 30 20 BFED C=CC[C@H]1CCCCC1=NN(C)CCOC 853343612 LFUYHQJGZMKGKP-LBPRGKRZSA-N 224.348 2.687 30 20 BFED CCOc1ccc(O)c(C=NOCC2CCC2)c1 853439940 QITJMUCNYBPKAA-UHFFFAOYSA-N 249.310 2.942 30 20 BFED C[C@H](C#N)OCCSCC1CC=CC1 853773469 FAECYXMITUSNBY-SNVBAGLBSA-N 211.330 2.614 30 20 BFED CC[C@H]1CCCC[C@@H]1CNC(=O)C#CC(C)C 854740857 BNMOBAURYYHKST-UONOGXRCSA-N 235.371 2.978 30 20 BFED C#CC[C@@H](OC(=O)c1cocc1C)C1CC1 860592495 PHVQYFKOONRLCE-GFCCVEGCSA-N 218.252 2.547 30 20 BFED C=C[C@@H](C)OC(=O)c1conc1C(C)C 860681775 LKUWUQDXQRUZMI-MRVPVSSYSA-N 209.245 2.529 30 20 BFED CC(=NNc1cccc(C)n1)C1CCN(C)CC1 863160445 FFRZSGCBGOTGNF-UHFFFAOYSA-N 246.358 2.520 30 20 BFED CCNc1ccccc1C=NN[C@H]1CCSC1 872373872 MPHBUTHBHXILTF-LBPRGKRZSA-N 249.383 2.547 30 20 BFED C=CCC[C@@H](C)NC[C@@H]1Cc2ccccc2CN1 873293775 NXNZWBXNPZAJEG-CJNGLKHVSA-N 244.382 2.645 30 20 BFED CCC[C@H](CC)C(=O)N(CC)C[C@H](C)C#N 874072027 KELCQXLEZJNLNM-NEPJUHHUSA-N 224.348 2.821 30 20 BFED Cc1cccc(O)c1CN1CCC[C@@](C)(C#N)C1 877311338 VUPXSCDGHRKWST-HNNXBMFYSA-N 244.338 2.826 30 20 BFED C=CC(C)(C)CC(=O)NC[C@H](O)C(CC)CC 878813689 NDVFQBTUBOQGGR-LBPRGKRZSA-N 241.375 2.502 30 20 BFED C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](OC)C1CC1 880231586 SXXMUJATKJNIOO-ZWNOBZJWSA-N 239.359 2.518 30 20 BFED Fc1ccc(C#CCN2CCC(F)CC2)cc1 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30 20 BFED C=CCN(C)C[C@@H](C)c1ccc(OC)cc1 154785890 NEAKYSVHRZALSQ-GFCCVEGCSA-N 219.328 2.917 30 20 BFED C#CCCCCNC(=O)N1CC[C@@H]2CCCC[C@@H]21 154914772 AGYKVOPVCGSAPC-KBPBESRZSA-N 248.370 2.764 30 20 BFED C#CCCCCNC(=O)[C@H](C)SCCCC 155871025 HQKUZWFCRKPUML-LBPRGKRZSA-N 241.400 2.828 30 20 BFED C#CCCCCNC(=O)c1ccc2c(c1)CCC2 156090372 CTYFXGCXSVHYLF-UHFFFAOYSA-N 241.334 2.709 30 20 BFED CCN(Cc1cc(F)ccc1C#N)C1CC1 158416437 KHXZGVOXLYJBAE-UHFFFAOYSA-N 218.275 2.682 30 20 BFED C=C[C@H](C)N[C@H](C)c1nc(C)sc1C 159061803 MCZRMRHFNLUNET-JGVFFNPUSA-N 210.346 2.985 30 20 BFED C#C[C@@H](CC)NCc1cccc2cccnc12 162668087 AKYDZAUVFZXTCV-AWEZNQCLSA-N 224.307 2.736 30 20 BFED C=C(C)CN(C)C(=O)c1cc(Cl)ccc1O 163115238 IEXHNAOZEADEDW-UHFFFAOYSA-N 239.702 2.694 30 20 BFED C[C@H]1C[C@@H](Nc2ccc(C#N)cc2F)CCO1 168282494 VRPITVAFAJGYLX-ONGXEEELSA-N 234.274 2.677 30 20 BFED N#CCC1(COC(=O)Cc2ccccc2F)CC1 174752806 MFVZFAKNYQSVGI-UHFFFAOYSA-N 247.269 2.605 30 20 BFED C=CCN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 175384301 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221.344 2.683 30 20 BFED CCC(=NNCC1CCOCC1)[C@H]1CC1(C)C 1348544129 XARNJXQLZWVJMM-GFCCVEGCSA-N 238.375 2.815 30 20 BFED Cc1oc(C#N)cc1-c1nnc(C(C)C)o1 1349964282 KGHWXADEOPAABL-UHFFFAOYSA-N 217.228 2.633 30 20 BFED C=CCCC[C@H](N)C(=O)Nc1ccsc1C 1354487009 FLXBKDIMUGVENB-JTQLQIEISA-N 238.356 2.679 30 20 BFED N#CCc1ccc(NCc2ncccc2F)cc1 1462064959 WJWPANSINVDSRN-UHFFFAOYSA-N 241.269 2.899 30 20 BFED N#Cc1ccc(Sc2ccnc(C#N)c2)cc1 1472666377 KZMZDVWDWWEFRP-UHFFFAOYSA-N 237.287 2.976 30 20 BFED N#Cc1ncccc1SC/C=C/Cl 1559412305 FMQCVPMFATWAML-DUXPYHPUSA-N 210.689 2.798 30 20 BFED C=CCCC[C@@H](NCC(=O)O)c1ccccc1 1588797258 AFWRRHAMHZYVMZ-CYBMUJFWSA-N 233.311 2.758 30 20 BFED N#Cc1ccc(OC[C@H]2CCCCO2)cc1 19867870 HBKSPAFBSMSKOF-CYBMUJFWSA-N 217.268 2.506 30 20 BFED CCOCCNc1ccc(C#N)c(Cl)c1 35358955 XNICVZGWDAWRLY-UHFFFAOYSA-N 224.691 2.660 30 20 BFED C[C@H](N[C@@H](C)[C@@H]1CCCO1)c1cccc(C#N)c1 37242937 NPKWVJDMIRKNFX-HUBLWGQQSA-N 244.338 2.776 30 20 BFED CCN(C[C@H](C)C#N)C(=O)c1cc(C)cc(C)c1 42296166 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237.299 2.602 30 20 BFED C#CCN(C)[C@H]1C[C@@H](OCC)C1(CC)CC 752338500 XIURCTZMRSGECJ-QWHCGFSZSA-N 223.360 2.535 30 20 BFED C=CCC[C@@H](C)OC(=O)c1c(C)cc(C)nc1O 755799895 YRTVGULAORVHFP-LLVKDONJSA-N 249.310 2.916 30 20 BFED CCCCCCC[C@@H](C)CNC(=O)C(C)(C)O 756812875 QYDKZXDCTPUYAO-GFCCVEGCSA-N 243.391 2.870 30 20 BFED CC/C=C/CCOC(=O)C#Cc1ccccc1 767450799 PQZNKPFILOCAGH-ONEGZZNKSA-N 228.291 2.938 30 20 BFED C#CCCN(CCC(F)(F)F)CC(F)(F)F 767901135 XYEAJKJIJZWCAQ-UHFFFAOYSA-N 247.182 2.826 30 20 BFED CON=C1CCCOc2cc3c(cc21)CCC3 768483232 NMUYNMLFOMDYSA-UHFFFAOYSA-N 231.295 2.698 30 20 BFED CCCNN=C(C)c1ccc(O)c(Cl)c1 768772797 JASBYHLAGLWJHL-UHFFFAOYSA-N 226.707 2.769 30 20 BFED C#C[C@@H](C)N(C)Cc1cc(OC)ccc1Cl 769975743 LEYQJYRFNSWRLA-SNVBAGLBSA-N 237.730 2.802 30 20 BFED C=CCCN(CCF)OCc1ccccc1 782668667 OHMWFNZOZALXLO-UHFFFAOYSA-N 223.291 2.966 30 20 BFED N#CC1(OC(=O)c2ccnc(C3CC3)c2)CCC1 783401529 UTFXQNKKRBIDLC-UHFFFAOYSA-N 242.278 2.562 30 20 BFED FC(F)CON=Cc1cc2ccccc2[nH]1 788437727 CSVUGFRDROLMCM-UHFFFAOYSA-N 224.210 2.784 30 20 BFED CC(C[C@H](C)CC(C)C)=NN[C@@H]1CCOC1 788446393 LCKAUZAWHQZQOA-DGCLKSJQSA-N 226.364 2.813 30 20 BFED Cn1ccnc1NN=C/C=C/c1ccccc1 790299491 COEWYHNYHIHNOP-KUNFTMJZSA-N 226.283 2.531 30 20 BFED C=C(C)CN(C)C(=S)Nc1ccsc1 790324947 HJOHZFPWCXBVLW-UHFFFAOYSA-N 226.370 2.953 30 20 BFED CC(C)n1cc(C=NN[C@@H](C)C(C)(C)C)cn1 793115966 QIRPZGZWZGAKJN-NSHDSACASA-N 236.363 2.822 30 20 BFED CC[C@H](C)CON=C1CCC[C@H](N(C)C)C1 793157738 CNJPARWCZFTTMY-AAEUAGOBSA-N 226.364 2.909 30 20 BFED C=C(Cl)CN1CCN(C2CCC2)C[C@H](C)C1 795119742 HKRHYMXUEOOOLU-LLVKDONJSA-N 242.794 2.545 30 20 BFED CCCCCCCN[C@H](C)c1ccc(O)nn1 796855740 JPTDUHVPFDHQHU-LLVKDONJSA-N 237.347 2.803 30 20 BFED CC(C)(C#N)CCONC(=N)c1ccsc1 799959925 CBHQGZXBNGQQDJ-UHFFFAOYSA-N 237.328 2.535 30 20 BFED C[C@@H]1CC[C@@H](C=NNc2ncncc2Cl)C1 800816599 OIRRNQVOTSQTCM-RKDXNWHRSA-N 238.722 2.964 30 20 BFED CC1CCC(=NN[C@H]2CCSC2)CC1 808000241 HPFCZOKLJHFJOO-UMJHXOGRSA-N 212.362 2.648 30 20 BFED C=CCCCCOC(=O)c1ccn(C(C)C)n1 811010632 VXYMARBEDHXARS-UHFFFAOYSA-N 236.315 2.977 30 20 BFED Cc1ccc(-c2n[nH]cc2C=NOC2CCC2)o1 812237274 RXGHIYCRKJTOBW-UHFFFAOYSA-N 245.282 2.881 30 20 BFED CC(C)OCCON=C[C@H]1C[C@H]2C=C[C@H]1C2 812240562 UUAKBESYDGRDBW-RWMBFGLXSA-N 223.316 2.626 30 20 BFED N#CCCCC(=O)OCc1cccc(F)c1F 812617756 CDQHSLQARXMPLU-UHFFFAOYSA-N 239.221 2.702 30 20 BFED COCCCNN=C1CCCC12CCCC2 814918828 GZQAXZFYXQGEQR-UHFFFAOYSA-N 224.348 2.713 30 20 BFED CC#CCCOC(=O)c1csc(C(C)=O)c1 815278301 IZBGHCWUSNJXQY-UHFFFAOYSA-N 236.292 2.521 30 20 BFED CCC(C[C@@H](C)CC)=NN[C@@H]1CCC[C@H]1O 817333045 MQAVCWDSMDDVKO-CYZMBNFOSA-N 226.364 2.692 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1cccc(CCO)c1 822057817 DBCUWDFUNRSGFJ-LBPRGKRZSA-N 247.338 2.762 30 20 BFED C#Cc1cccc(N(C)C(=O)/C=C(\C)CC)c1 823084175 ONRLUDTZYBPYJF-ZRDIBKRKSA-N 227.307 2.987 30 20 BFED CC[C@@H](NCc1ccc(C#N)cn1)C1CCC1 824231939 SBPBWZPMBFFYJW-CQSZACIVSA-N 229.327 2.622 30 20 BFED C=C(C)COc1ccc(NC(=O)O)cc1 833369431 XTULARUXBBCUAB-UHFFFAOYSA-N 207.229 2.731 30 20 BFED C=CCCCN[C@]1(C)CCCC[C@@H]1C(=O)O 833373894 IJAZEKBATFELIX-DGCLKSJQSA-N 225.332 2.576 30 20 BFED C#CCCCN[C@@H](CC)c1ccncc1 834607359 VSMMVORRSFHCFC-ZDUSSCGKSA-N 202.301 2.536 30 20 BFED CCn1cccc1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 834967992 CBRVWDNHLVMERO-SGMGOOAPSA-N 231.343 2.620 30 20 BFED CCC(=NN[C@@H](C)C(F)(F)F)c1ccncc1 834998087 BYLBPCASEGJJMW-QMMMGPOBSA-N 245.248 2.736 30 20 BFED C=CC(C)(C)C(=O)OC[C@@H]1CC1(Cl)Cl 835201993 AMRZILXUOYKMEW-ZETCQYMHSA-N 237.126 2.936 30 20 BFED Cc1ccc(C(=O)OC[C@@H](C)C#N)c2c1CCC2 835238464 NMVBZCOXGRMYDP-JTQLQIEISA-N 243.306 2.800 30 20 BFED CCC[C@@H](C)OC(=O)c1cc(C#N)[nH]c1C 835340863 PBLLPXSDDAPANO-MRVPVSSYSA-N 220.272 2.540 30 20 BFED C=CC(C)(C)C(=O)OCCC1CCOCC1 835466153 DRRUKFJEDQROHB-UHFFFAOYSA-N 226.316 2.559 30 20 BFED C=CCONC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 837046129 DTMALAIUQPUTTK-FRRDWIJNSA-N 237.343 2.827 30 20 BFED C#CCC[C@H](C)OC(=O)c1ccc(Cl)o1 839034860 UPTWIKPQMOFCSG-QMMMGPOBSA-N 226.659 2.892 30 20 BFED C#CCC[C@@H](C)OC(=O)C[C@H](C)c1ccncc1 839036700 GRLYTFZHMMOBGB-QWHCGFSZSA-N 245.322 2.920 30 20 BFED C#CCC[C@@H](C)OC(=O)C[C@H](OCC)C(=C)C 839037452 RVAYQCVHQHPNEE-OLZOCXBDSA-N 238.327 2.703 30 20 BFED C#CCC[C@@H](C)OC(=O)c1cc(C)cc(C)n1 839038356 IUJCXSKPSYIJDD-GFCCVEGCSA-N 231.295 2.657 30 20 BFED CC(C)(CC#N)CNCc1cc(F)ccc1O 839163026 GCVSPTDXVGPYKA-UHFFFAOYSA-N 236.290 2.561 30 20 BFED C=CCC(F)(F)C(=O)N(C)c1ccnc(C)c1 839321288 KWLFFYDZNWEZGN-UHFFFAOYSA-N 240.253 2.564 30 20 BFED CCCON=C(C)c1ccc(C#N)cc1F 842555066 SVHHLDQDUVOLMW-UHFFFAOYSA-N 220.247 2.848 30 20 BFED C=CCC(C)(C)C(=O)N(OCC)C(C)C 844072841 IKGZBEDBOOVHCH-UHFFFAOYSA-N 213.321 2.777 30 20 BFED C#CCN(C)[C@@H](C)CSc1ccccc1 844362100 XUZXTLSGSINREC-LBPRGKRZSA-N 219.353 2.732 30 20 BFED C=C[C@@H](C)ON=Cc1cnc(Cl)c(C)c1 844622438 ZOKAEHYMDUPLRT-SECBINFHSA-N 224.691 2.968 30 20 BFED C#CCN(C(=O)N[C@@H]1C[C@H]1CC(C)(C)C)C1CC1 845385360 CHPOGYHUTKEZFR-WCQYABFASA-N 248.370 2.618 30 20 BFED C=CCC(C)(C)COC(=O)/C=C(\C)COC 845575807 IBROIVCUPPRHQL-DHZHZOJOSA-N 226.316 2.725 30 20 BFED C=C[C@H](C)ONC(=O)N[C@H](C)CC(C)(C)C 845615606 LGDCIWRETXSDMU-ZJUUUORDSA-N 228.336 2.616 30 20 BFED C=CC(C)(C)C(=O)OCc1cc(C2CC2)no1 849789206 SVBFAOKURQOSIX-UHFFFAOYSA-N 235.283 2.807 30 20 BFED C=CC[C@H]1CCCN(CCCCCCO)C1 852410898 PYJMFDVWQCYPMP-AWEZNQCLSA-N 225.376 2.827 30 20 BFED CSCCON=C[C@H]1CC1(Cl)Cl 853341331 LORQVWZLPVXRNO-ZCFIWIBFSA-N 228.144 2.546 30 20 BFED CC(C)C(Cn1cccn1)=NN1CCCC[C@H]1C 853382131 TZVXBCJNPHWFAV-CYBMUJFWSA-N 248.374 2.770 30 20 BFED C=C[C@@H](C)NC(=O)/C=C(\C)c1cccs1 857150342 QMINGKVQETZQCC-AAXQSMANSA-N 221.325 2.842 30 20 BFED C=CCCOC(=O)c1ccc(COC)c(F)c1 869863676 WNAZJLVUEGDZPS-UHFFFAOYSA-N 238.258 2.705 30 20 BFED CCC(CC1CCCCC1)=NN[C@@H](C)CO 872355808 PGSXKXKDGMCWSK-NSHDSACASA-N 226.364 2.693 30 20 BFED C=C1CCN(Cc2nc(Cl)cs2)CC1 876694445 IQOLLEGYYFBCTJ-UHFFFAOYSA-N 228.748 2.949 30 20 BFED C=CCSCCNC(=O)CC(C)(C)C=C 878496585 DEDRLMAHAFSRLD-UHFFFAOYSA-N 227.373 2.624 30 20 BFED C#CCCCNC(=O)Nc1cscc1Cl 880977136 LSBADJXSUBRZBC-UHFFFAOYSA-N 242.731 2.936 30 20 BFED CCC[C@H](C)N(C)C(=O)Nc1ccc(C#N)cn1 889220519 ASSQXBGKMVQFQM-JTQLQIEISA-N 246.314 2.606 30 20 BFED C#CCSCC(=O)NCC(C)(C)C(C)(C)C 891156217 OQVCKQKKQIQFAM-UHFFFAOYSA-N 241.400 2.541 30 20 BFED C=CC(C)(C)Cc1nc(-c2ccc(O)nc2)no1 896215565 XNJRICTUMZSHQT-UHFFFAOYSA-N 245.282 2.592 30 20 BFED CC1(C)CC[C@H](C(=O)Nc2ncc(C#N)s2)C1 896485423 QBLJTWMHNZZDJG-QMMMGPOBSA-N 249.339 2.780 30 20 BFED CCCCNN=C(C)CSCCC 901169813 ORSOLFRJDWPDOH-UHFFFAOYSA-N 202.367 2.895 30 20 BFED N#CC1(CN[C@H]2CCc3ccc(F)cc32)CC1 903102352 WUFWDZYANAMOGZ-ZDUSSCGKSA-N 230.286 2.706 30 20 BFED C=C[C@H](CC)CC(=O)O[C@H](C)c1noc(C)n1 904884889 HRJPLWQCKWMFCE-PSASIEDQSA-N 238.287 2.585 30 20 BFED CCO[C@H]1CCCC(=NNc2ccc(C)nn2)C1 905444661 OWYYSEBVJRLVFI-LBPRGKRZSA-N 248.330 2.532 30 20 BFED C=C(C)CNC(=S)N(CC(C)C)C1CC1 914560658 ZUQSPHCPYWMRDG-UHFFFAOYSA-N 226.389 2.557 30 20 BFED CCCCNN=C(C)c1ccc2c(c1)CCO2 915966484 ULLJWRLODUZRJE-UHFFFAOYSA-N 232.327 2.735 30 20 BFED C=C(Cl)COC(=O)/C=C/c1ccccc1 916609945 HSRZTPPKIQLSOR-BQYQJAHWSA-N 222.671 2.996 30 20 BFED C=CCC(C)(C)CN[C@H](C)c1ncco1 926483151 RBYMCYDEBOYFFR-SNVBAGLBSA-N 208.305 2.928 30 20 BFED C=CC(C)(C)CNC(=O)Nc1sccc1C#N 931835805 LGABUYBTXXSAKG-UHFFFAOYSA-N 249.339 2.953 30 20 BFED C=C(CC)CN[C@@H](CC(=O)OC)C(C)(C)C 934032785 CQHRPXLLYAPGJM-NSHDSACASA-N 227.348 2.520 30 20 BFED N#C[C@H]1CC[C@@H](OC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)C1 1122734729 DCEXFVUJTPOMFD-SIOXPIAOSA-N 245.322 2.514 30 20 BFED N#CCc1ccccc1C(=O)N[C@H]1C=CCCC1 1261852713 MBHQDSRSBCDZHG-ZDUSSCGKSA-N 240.306 2.591 30 20 BFED C=CCC[C@H](NCC[C@H](C)NC)c1ccco1 1331836541 XJNMNGHJQUTWQK-STQMWFEESA-N 236.359 2.875 30 20 BFED CC[C@@H](C#N)N(C)C(=O)C12CCC(CC1)CC2 1339073406 SUTFHYFPECERRV-LXVYMNJGSA-N 234.343 2.717 30 20 BFED N#CCc1cccc(NC[C@@H]2Cc3ccccc32)n1 1342844364 UYVPNIAPRIRSNJ-ZDUSSCGKSA-N 249.317 2.899 30 20 BFED C=C[C@H](CC)CC(=O)OCC(F)(F)F 1343429907 CXKYBGMEZWEIOL-SSDOTTSWSA-N 210.195 2.694 30 20 BFED C=C(CC)C(=O)N1CC(C)(C)[C@@H]1c1ccncc1 1349890593 IXYPIXCMNNRGTG-ZDUSSCGKSA-N 244.338 2.957 30 20 BFED CC[C@H](C#N)N(CC)C(=O)/C=C/c1cccs1 1355089062 QGSBECVXCMUFGK-WSKFYRRCSA-N 248.351 2.912 30 20 BFED C=CC[C@@H](C(=O)O)N1CCCc2c(C)cccc21 1573350136 CQRWFYZFIKGWTK-AWEZNQCLSA-N 245.322 2.777 30 20 BFED C=C1CCC(CNCc2ccc(C(=O)O)[nH]2)CC1 1588649779 CORUQRAUOLXROO-UHFFFAOYSA-N 248.326 2.549 30 20 BFED CCc1cc(C(=O)O)c(C=NOC(C)C)s1 1776077597 HTOSYOJAXDFNEU-UHFFFAOYSA-N 241.312 2.768 30 20 BFED CC(C)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C#N 7982933 GCCQXKZQCRPUDB-SECBINFHSA-N 233.271 2.923 30 20 BFED CC[C@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 35238865 CASRXSAEROLXNC-LBPRGKRZSA-N 242.322 2.820 30 20 BFED N#Cc1c(F)cccc1NCC(F)(F)F 36157869 GVYLRUQWEUWMKB-UHFFFAOYSA-N 218.153 2.672 30 20 BFED C=C(Cl)CN1CCC[C@@H]1c1cc(C)on1 44590938 UIKPXHSEUUWAJB-LLVKDONJSA-N 226.707 2.872 30 20 BFED C[C@@H](C#N)C(=O)N(C)Cc1ccc(Cl)s1 44824605 BMZILDAFYFWKPJ-ZETCQYMHSA-N 242.731 2.520 30 20 BFED C=C(Cl)CN[C@H]1CCc2ccccc2C1 49899729 UEKUJBOYHMADGQ-ZDUSSCGKSA-N 221.731 2.886 30 20 BFED C#CCN1CCC[C@@H]1c1ccc(F)cc1 55506124 JRCIOKRVALMERE-CYBMUJFWSA-N 203.260 2.596 30 20 BFED CCCCCCCC(=O)N[C@@H](CCC)C(=O)O 59389931 BMXVGICUZPTBAF-NSHDSACASA-N 243.347 2.716 30 20 BFED N#Cc1cc(N2CCc3ccccc3C2)ccn1 60537788 LUFWDQYVNYOMIK-UHFFFAOYSA-N 235.290 2.516 30 20 BFED CC(C)(C#N)C(=O)N[C@H]1CCCc2sccc21 61366836 AODVGRWZNRXRPT-JTQLQIEISA-N 248.351 2.791 30 20 BFED COCCCOc1ccc(C#N)c(Cl)c1 61855492 MGDFUYLSXAWKQW-UHFFFAOYSA-N 225.675 2.627 30 20 BFED CC(C)[C@@H](C)CC(=O)NCC#Cc1ccccc1 67903369 KIEVUABPWVYTDY-AWEZNQCLSA-N 243.350 2.837 30 20 BFED Cc1ccc(C)c(CC(=O)N[C@@H](C#N)C(C)C)c1 70981101 UMIUGHMRJXKRQD-AWEZNQCLSA-N 244.338 2.510 30 20 BFED Cc1cccc(NC(=O)N2CCC[C@@H](C#N)C2)c1 79827045 LBBFJZMXANBJEH-LBPRGKRZSA-N 243.310 2.763 30 20 BFED C[C@@H](CCO)SCc1cc(F)ccc1C#N 85146083 RFAIZGHFMYOESN-VIFPVBQESA-N 239.315 2.701 30 20 BFED C[C@H]1C[C@@H](NCc2ccc(C#N)cc2)CS1 86935291 ONPFMGXVNXQYPE-GXFFZTMASA-N 232.352 2.542 30 20 BFED C[C@H]1CC[C@@H](C)CN1C(=O)C1(C#N)CCCC1 88706421 DCGGTNGWKHZAAU-NEPJUHHUSA-N 234.343 2.717 30 20 BFED N#Cc1c(Cl)nsc1Oc1cccnc1 92583463 LLJHRCOFHXNFNL-UHFFFAOYSA-N 237.671 2.855 30 20 BFED N#CC1(C(=O)NCCCC(F)(F)F)CCCC1 97989191 CWQKOGZXLHAAEA-UHFFFAOYSA-N 248.248 2.529 30 20 BFED C=CCCCOC(=O)c1ccc(OC)cc1 117992915 GQSSPGIJVLGRPO-UHFFFAOYSA-N 220.268 2.818 30 20 BFED C[C@@H](CCc1ccco1)Nc1cccnc1C#N 124154949 XUSLVQVGMXEAHV-NSHDSACASA-N 241.294 2.979 30 20 BFED CCN(Cc1cc(C#N)cs1)C(C)C 126387576 AGENCFHNMDBWDF-UHFFFAOYSA-N 208.330 2.850 30 20 BFED CC1(C)CC[C@@H](Nc2ccnc(C#N)c2)C1 129211799 ONYAJXIBBXBDMD-LLVKDONJSA-N 215.300 2.944 30 20 BFED C[C@H](CCC(=O)N(C)CCC#N)c1ccccc1 129366070 CLMXSQRNSKYLSX-CYBMUJFWSA-N 244.338 2.942 30 20 BFED CC[C@@H](CC#N)NCc1csc(C2CC2)n1 135040977 LZNRJEAHGPPHTJ-JTQLQIEISA-N 235.356 2.802 30 20 BFED CC1(C)CCCN(c2cnccc2C#N)C1 135609394 QBJZFAWSQNXPDX-UHFFFAOYSA-N 215.300 2.580 30 20 BFED CC[C@@](C)(C#N)C(=O)Nc1cc(F)ccc1F 136167634 HLSISBMDYYESRG-LBPRGKRZSA-N 238.237 2.843 30 20 BFED C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)C1CC1 153823799 ULAOPJZWLIVYED-MRVPVSSYSA-N 248.713 2.740 30 20 BFED N#CCC[C@@H](C#N)COc1ccc(C#N)c(F)c1 154051311 YNBGKWMHOVZJPH-JTQLQIEISA-N 243.241 2.520 30 20 BFED CN(C(=O)CC1CC1)c1cc(Cl)ccc1C#N 156926944 HJLZPYSZXLBHLB-UHFFFAOYSA-N 248.713 2.975 30 20 BFED CN(Cc1ccc(C#N)o1)C1CCCCC1 157499384 WXNNZXZIEOMOBG-UHFFFAOYSA-N 218.300 2.916 30 20 BFED CC(C)(C)[C@@H]1CCN(c2cc(C#N)ccn2)C1 159720947 PHPNVQCPNFTJSR-GFCCVEGCSA-N 229.327 2.826 30 20 BFED Cc1cc(C)c(O)c(CN2CCC(C#N)CC2)c1 164227916 IAESTIVKWMRYBK-UHFFFAOYSA-N 244.338 2.745 30 20 BFED CC#CCOc1ccc(N2CCCC2)cc1 166008520 SFUYYGHPHDRMCB-UHFFFAOYSA-N 215.296 2.689 30 20 BFED C#CCCCNC(=O)Nc1ccccc1CC 174535942 AZNQCMMKVAZNPJ-UHFFFAOYSA-N 230.311 2.784 30 20 BFED C=CCCOc1ccccc1NC(=O)OC 175906777 GKWDOAOVDUNOGZ-UHFFFAOYSA-N 221.256 2.820 30 20 BFED C=CCCCC(=O)Nc1nc(C)ccc1OC 176342272 XPBZRJKIIIKIKN-UHFFFAOYSA-N 234.299 2.693 30 20 BFED Cc1ccc(NC(=O)c2c[nH]c(C#N)c2)c(C)c1 179850484 NYBQYCIBFAAIRW-UHFFFAOYSA-N 239.278 2.756 30 20 BFED C#CCN[C@H](CC)C(C)(C)c1ccccc1 180007357 VAYKXOPGKGZOLX-CQSZACIVSA-N 215.340 2.966 30 20 BFED C=CCN[C@@H](C)c1cccc(-n2cccn2)c1 183580188 LKMSCCMBCFTXPS-LBPRGKRZSA-N 227.311 2.709 30 20 BFED CC#CCCCC(=O)NCCc1ccccc1C 184916763 WEMKPUPOEXFHGE-UHFFFAOYSA-N 243.350 2.847 30 20 BFED C=C[C@@](C)(CC)C(=O)Nc1cccnc1OC 187828328 SCTLAGKWXIIWHT-ZDUSSCGKSA-N 234.299 2.631 30 20 BFED CC(C)(CCC#N)CNCc1ccc(CO)cc1 227462710 FUUAWGCVYNWACD-UHFFFAOYSA-N 246.354 2.598 30 20 BFED C#CCCCCN[C@H]1CCCc2cccnc21 229642881 DKMMQFMRRDWMKN-AWEZNQCLSA-N 228.339 2.852 30 20 BFED Cc1ccc(C#N)cc1OCC1CCOCC1 229947393 VMHBZMZNMNKXSY-UHFFFAOYSA-N 231.295 2.672 30 20 BFED CCC(C#N)(CC)C(=O)NC[C@H]1CC[C@@H](C)C1 230425211 MNCVUNHRUBPMFC-NEPJUHHUSA-N 236.359 2.869 30 20 BFED C#C[C@](C)(CC)NC(=O)Nc1ccccc1 238286677 POMZKJPNIVUKEW-CYBMUJFWSA-N 216.284 2.610 30 20 BFED CCCCC(=O)OCc1ccc(C#N)cc1 248212429 DUQYGWFRRJACRO-UHFFFAOYSA-N 217.268 2.792 30 20 BFED Cc1nc(C#N)cc(Oc2ccc(F)cc2)n1 259970385 DWKKQNHJJNQODN-UHFFFAOYSA-N 229.214 2.588 30 20 BFED C=C[C@@H]1CCCCN1Cc1ccc(C(=O)O)cc1 263389757 DWWSPLNSIQMWRI-CQSZACIVSA-N 245.322 2.925 30 20 BFED C=CCCC(=O)NCc1cccc(C)c1 263716439 XGODUAAVAYETCO-UHFFFAOYSA-N 203.285 2.577 30 20 BFED CC(C)[C@@H](C#N)NC(=O)C=C1CCCCC1 264780680 PSWBMWWTBLDJHT-GFCCVEGCSA-N 220.316 2.541 30 20 BFED CC1CC(/N=C/c2cc([N+](=O)[O-])ccc2O)C1 267658399 MXOTWDJMCXTSAZ-NTUHNPAUSA-N 234.255 2.518 30 20 BFED C=CCCCCNC(=O)c1ccc(N(C)C)cc1 274476692 NRPXWUQAYGXRET-UHFFFAOYSA-N 246.354 2.839 30 20 BFED C=CCCCCNC(=O)C1=C(C)OCCC1 274703025 OEQXBMNWWTZGIB-UHFFFAOYSA-N 223.316 2.543 30 20 BFED C=C(C)CCN[C@@H](COC)c1ccco1 274874490 YAEKIELGPIGRMY-NSHDSACASA-N 209.289 2.523 30 20 BFED C=CCN(C)C(=O)N[C@@H](C)c1cccc(OC)c1 275090628 LKTIJEBVEHEBNJ-NSHDSACASA-N 248.326 2.584 30 20 BFED CC[C@H](C)CC(=O)N1CCc2ccc(C#N)cc21 276660221 DXAOZCZNHVEPBU-NSHDSACASA-N 242.322 2.884 30 20 BFED CC#CC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 277513314 SPXDAMOEJMIERL-LBPRGKRZSA-N 245.322 2.741 30 20 BFED CC[C@H](NC[C@@H](O)C(C)C)c1ccc(C#N)cc1 278658259 IOMIWRMVKSGSHK-LSDHHAIUSA-N 246.354 2.616 30 20 BFED C=CCN(Cc1ccc(F)cc1)C1CCOCC1 279229520 IZKODNLISXOHOF-UHFFFAOYSA-N 249.329 2.993 30 20 BFED C=CC[C@H](CC)NC(=O)NCCCSCC 283335904 AQZURDHSQSQGDZ-NSHDSACASA-N 244.404 2.784 30 20 BFED CC#CC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 283790623 OZXKGJAUOLOSLQ-JSGCOSHPSA-N 245.297 2.601 30 20 BFED C=CCCCCCN(C)[C@@H](C)c1nncn1C 287958699 YNRZBFROJWDCPE-LBPRGKRZSA-N 236.363 2.554 30 20 BFED CC#CCCCC(=O)N1Cc2ccccc2CO1 288250764 LAQKPTXHJOPLSK-UHFFFAOYSA-N 243.306 2.654 30 20 BFED C=CCN(CCC#N)C(=O)c1sccc1C 292443882 MXJVIXKXYBUTPZ-UHFFFAOYSA-N 234.324 2.598 30 20 BFED C=C(C)Cn1c(C2CC2)nnc1N(CC)CCC 293092254 UACJPSQGIKPLOE-UHFFFAOYSA-N 248.374 2.968 30 20 BFED C=CCC(C)(C)C(=O)Nc1ccc(F)cn1 293098773 SOISACXBSQCCBM-UHFFFAOYSA-N 222.263 2.762 30 20 BFED C=CCC(C)(C)CNC(=O)c1ncoc1C1CC1 293858689 VSABUCVWTDFFGF-UHFFFAOYSA-N 248.326 2.884 30 20 BFED C=CCC(C)(C)CNC(=O)[C@H]1CCCS1 294299430 QSVSWZJORKLAPW-SNVBAGLBSA-N 227.373 2.601 30 20 BFED C=CCC(CC=C)C(=O)NC[C@H](CCC)OC 295411849 LTXIFXIMLOMORE-ZDUSSCGKSA-N 239.359 2.686 30 20 BFED CC(=O)c1cccc(CN(C)[C@@H](C)CC#N)c1 296901563 ZCNXJRBWLMOKTA-NSHDSACASA-N 230.311 2.623 30 20 BFED C[C@@H](CCC#N)N1CCCc2occc2C1 298661959 YAKGUISSBLTIET-NSHDSACASA-N 218.300 2.720 30 20 BFED COc1ccc(C#N)cc1NC(=O)CC(C)C 299448606 POBLIOIJEALHOT-UHFFFAOYSA-N 232.283 2.551 30 20 BFED CC[C@@](C)(C#N)C(=O)Nc1ccc2c(c1)COC2 302475655 YRVXBWHWSIJMSR-AWEZNQCLSA-N 244.294 2.595 30 20 BFED CCCC[C@@H](CCC)C/N=C(\N)NC(C)C 304839744 PKXYYHQIJRPYNP-GFCCVEGCSA-N 227.396 2.906 30 20 BFED C=CCOc1cc(F)c([N+](=O)[O-])cc1Cl 308795519 GTATWPPWDGXEQK-UHFFFAOYSA-N 231.610 2.952 30 20 BFED N#Cc1cc(F)ccc1NCCC(F)F 308868294 XVGSTVHWJROVNE-UHFFFAOYSA-N 214.190 2.764 30 20 BFED N#Cc1ccnc(N[C@H]2CC[C@@H](F)C2)c1Cl 309607957 YNDAWKGJYOPCJN-BDAKNGLRSA-N 239.681 2.909 30 20 BFED C=C[C@@H](COC)NCc1csc(C(C)C)n1 309669949 VQSOWQZMJVHJTM-JTQLQIEISA-N 240.372 2.557 30 20 BFED Cc1ccc(CNc2ccc(C#N)c(C)n2)o1 310167637 KGWCUIVHPUMOBI-UHFFFAOYSA-N 227.267 2.775 30 20 BFED CC(C)(CC#N)CNC(=O)[C@@H]1CC2CCC1CC2 316326913 YTSLLMYWIQMKFR-WXRRBKDZSA-N 248.370 2.869 30 20 BFED CC1CC(/N=C(/O)c2c[nH]c3ncccc23)C1 329948376 YZJMNGYCHPEFTA-UHFFFAOYSA-N 229.283 2.666 30 20 BFED CCCCn1ncc(/C(O)=N/[C@H](C#N)CC)c1C 330535631 PEKATJIDZGZFQT-NSHDSACASA-N 248.330 2.598 30 20 BFED CC(C)[C@@H]1C[C@H]1C(=O)NCC1CCC(C#N)CC1 332208128 VDCUMQQQYYAKKO-CLRIEMFWSA-N 248.370 2.725 30 20 BFED Cc1cccc(CN2CCCC(C)(C)[C@@H]2C#N)n1 335401693 QNQGIWYMOKQBIB-AWEZNQCLSA-N 243.354 2.904 30 20 BFED C=CC(C)(C)C(=O)N(C)[C@H]1CC[C@H](C)C1 335579841 LFNUQPMRXBZSRY-QWRGUYRKSA-N 209.333 2.846 30 20 BFED Cc1nn([C@@H](C)c2cccc(C#N)c2)cc1C#N 335804585 JGTWVLUTZSHXPU-NSHDSACASA-N 236.278 2.544 30 20 BFED C=CCCN1Cc2ccc(O)cc2C2(CC2)C1 336028785 MWQAHHNJFMIIKP-UHFFFAOYSA-N 229.323 2.816 30 20 BFED N#Cc1ccc(CN2CCC23CCC3)cc1F 336085983 RAUVCZYNZGUHQR-UHFFFAOYSA-N 230.286 2.826 30 20 BFED N#CC1(NC(=O)c2sccc2C2CC2)CCC1 336138398 PMEGOIRFDZFHTK-UHFFFAOYSA-N 246.335 2.802 30 20 BFED N#C[C@@H]1CC[C@H](Nc2cccc3c2CCO3)C1 336171601 LIVOQSZIPOIEGA-MNOVXSKESA-N 228.295 2.726 30 20 BFED CO[C@@H]1CCN(c2ccc(F)cc2C#N)C[C@H]1C 336270756 DBNDYODASXRVBY-QMTHXVAHSA-N 248.301 2.559 30 20 BFED C=C[C@@H](C)NC(=O)c1c(Cl)cncc1Cl 336477042 FQTBKYYODGNSFP-ZCFIWIBFSA-N 245.109 2.693 30 20 BFED C=CCC(C)(C)CN[C@@H](C)CCCOC 340430534 XYMDPNCVARGFNL-LBPRGKRZSA-N 213.365 2.993 30 20 BFED C=C(C)CN1CCC(N[C@@H]2CCC2(C)C)CC1 342705055 ZTYSOYCXZQTCJA-CQSZACIVSA-N 236.403 2.805 30 20 BFED C=CCC(C)(C)C(=O)NCC(C)(C)CCOC 346659709 QZFPGNUZTZXKAX-UHFFFAOYSA-N 241.375 2.768 30 20 BFED N#CC1(CN(Cc2ccccc2)C2CC2)CC1 347454091 CWLMPZQJHAGTCO-UHFFFAOYSA-N 226.323 2.955 30 20 BFED C=CCCC1(c2nc(CCCF)no2)CC1 351136215 GNPBJIDGSORFHR-UHFFFAOYSA-N 224.279 2.970 30 20 BFED C=C(CNCc1n[nH]cc1C)c1ccccc1 352836909 XYOPVLNNKGEXHW-UHFFFAOYSA-N 227.311 2.521 30 20 BFED C=CCOCCCSCc1ccon1 357389368 KHGIIJMAJPEWMS-UHFFFAOYSA-N 213.302 2.501 30 20 BFED C=CCOCC(=O)NC1CCC(C(C)C)CC1 358163384 FQNNBPOVMHSLQC-UHFFFAOYSA-N 239.359 2.520 30 20 BFED Cc1ccc(F)c(NC(=O)CCCC#N)c1 359880653 PYBJDMHEWSCBOH-UHFFFAOYSA-N 220.247 2.767 30 20 BFED N#CCCCC(=O)Nc1cnc2ccccc2c1 359908663 HAGWAOHYSBDVJW-UHFFFAOYSA-N 239.278 2.867 30 20 BFED CC[C@@H]1CCC[C@@H](NC(=O)CCCC#N)C1 360278263 RUTGXBILTHHRDV-VXGBXAGGSA-N 222.332 2.765 30 20 BFED C=CCCCSCc1ncnn1CC(F)F 362459745 YPGFIYRFLHDOGB-UHFFFAOYSA-N 247.314 2.743 30 20 BFED C=CCCCN1CC[C@H](N2CCCC2)[C@H]1C 367861747 CQWOGKLMGBGQJY-KGLIPLIRSA-N 222.376 2.511 30 20 BFED C=CCCCOC(=O)c1c(C)cccc1N 381657549 UCIMLWRALHLTFP-UHFFFAOYSA-N 219.284 2.700 30 20 BFED C=C(C)CCN[C@H]1CCc2cccnc21 386931032 TXAUMEFTMMLMLA-LBPRGKRZSA-N 202.301 2.625 30 20 BFED CC[C@@H]1C[C@H]1CNc1nc(C)ccc1C#N 387725719 QPQIFWMTPGNUKY-PWSUYJOCSA-N 215.300 2.720 30 20 BFED C#CCCNc1cccc(C(=O)CC)c1 389671001 VIIKJDJHVTZZMF-UHFFFAOYSA-N 201.269 2.715 30 20 BFED C=C[C@@H](C)N[C@H](C)c1ccc(C)nc1C 389978089 GWBOUXQGPOBJRV-MWLCHTKSSA-N 204.317 2.924 30 20 BFED N#CCn1cc(CN=[N+]=[N-])c(-c2ccsc2)n1 409437849 JIJCFGGIZWGXME-UHFFFAOYSA-N 244.283 2.945 30 20 BFED C[C@H](CC1CCCCC1)C(=O)N(C)[C@H](C)C#N 410881939 FTERICVTQDHORQ-VXGBXAGGSA-N 236.359 2.963 30 20 BFED C[C@@H](CC(=O)NCC1(C#N)CCC1)C(C)(C)C 416348704 VGAMFMYWDVQGKJ-NSHDSACASA-N 236.359 2.869 30 20 BFED C=CCn1cc(CNC(CCC)CCC)nn1 424294048 JSYBVFIGWGPZAX-UHFFFAOYSA-N 236.363 2.523 30 20 BFED C=C(C)C(C)(C)C(=O)N(C)CC[C@@H]1CCCO1 424795176 OYZHMEKMHOGDJY-LBPRGKRZSA-N 239.359 2.616 30 20 BFED C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 424974081 CHFAMFGSSQEDPX-MROQNXINSA-N 234.343 2.621 30 20 BFED CCN(CCC#N)Cc1ccc(C)c(OC)c1 436484300 HKESGTPCLJUQAU-UHFFFAOYSA-N 232.327 2.739 30 20 BFED N#CCCCCN[C@@H]1CCCC12CCC2 449133826 ZUKDQYLKNFPKEF-GFCCVEGCSA-N 206.333 2.993 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@@H](CC)C(F)F 452268067 XBCXXXNNMFTABM-GZMMTYOYSA-N 219.275 2.749 30 20 BFED C=C(CC)CNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 453009169 FPNMAPVLRDIBLV-AVGNSLFASA-N 221.344 2.895 30 20 BFED C=C(CC)CNC(=O)c1ccc(COC)cc1 453014027 KOFALFCRIKQSCL-UHFFFAOYSA-N 233.311 2.529 30 20 BFED C=C(C)CCN[C@H](c1nc[nH]n1)c1cccs1 453305932 AMTLMRSOUXXBIS-NSHDSACASA-N 248.355 2.511 30 20 BFED C=CCCO[C@@H](C)C(=O)N[C@H](C)CC(C)(C)C 457222474 KHHSNUIABITTJI-NEPJUHHUSA-N 241.375 2.909 30 20 BFED CCC[C@@H](C(=O)N[C@H](C#N)C(C)C)C(C)C 470157909 UOWJBRLNXOUTDI-VXGBXAGGSA-N 224.348 2.723 30 20 BFED C#CCN(CC)C(=O)N[C@H]1CCCC[C@H]1CC 490556514 TVQZJSJEBUWIJM-OLZOCXBDSA-N 236.359 2.620 30 20 BFED C#C[C@@H](C)N(C)Cc1c[nH]nc1-c1cccs1 491631706 YUYIPEZEYAHYQZ-SNVBAGLBSA-N 245.351 2.592 30 20 BFED C#C[C@H](C)N(C)C(=O)Cc1ccc(C)cc1Cl 491780966 FOKNYHZGTMUAML-NSHDSACASA-N 249.741 2.671 30 20 BFED C[C@H](CC(=O)N1CCC(C#N)CC1)c1ccco1 528313423 DJUHSSKAVHIWHU-LLVKDONJSA-N 246.310 2.535 30 20 BFED C=CCCCCNC(=O)CC1CCSCC1 546017540 PCPNATABRZCMDB-UHFFFAOYSA-N 241.400 2.992 30 20 BFED C[C@H](C#N)CNC(=O)CCCCC(C)(C)C 552952747 RJKSIFGQTQIJFD-LLVKDONJSA-N 224.348 2.869 30 20 BFED N#CC1(CN[C@H]2CCCC23CCC3)CC1 556168898 NQNRALKVTHWFAD-NSHDSACASA-N 204.317 2.603 30 20 BFED C=CCCCCN(CC)C[C@@H]1CCCO1 562689040 IKQGDAXWYMOKCH-ZDUSSCGKSA-N 211.349 2.844 30 20 BFED CC[C@H](C)C[S@@](=O)c1cccc(F)c1C#N 566488847 OSHHCGTWMXPKNS-XXFAHNHDSA-N 239.315 2.851 30 20 BFED N#CCCCCCC(=O)N1CCC2(CC1)CC2 588359583 PDCUGZPJVMGFKU-UHFFFAOYSA-N 234.343 2.863 30 20 BFED C[C@H]1CC[C@H](C(=O)NCCCCC#N)CC1 593051981 SLBUSOCZBMZCHZ-HAQNSBGRSA-N 222.332 2.623 30 20 BFED CC[C@@H](C#N)C(=O)N1CCC[C@@H]1c1ccsc1 593406167 CLBGBBFWTFMFSE-CMPLNLGQSA-N 248.351 2.961 30 20 BFED CC(C)[C@@H](C)NCCc1ccc(C#N)cc1 595058946 CTCWGYQHLZUDKY-GFCCVEGCSA-N 216.328 2.735 30 20 BFED CC[C@H](CC(F)F)CN(C)[C@@H](C)CC#N 595343139 DJMHASZKKQLIQI-VHSXEESVSA-N 218.291 2.902 30 20 BFED CC[C@@H]1CC[C@@H](C)N(C(=O)NCCCC#N)C1 595579009 FGUOKJWYRFMNDP-VXGBXAGGSA-N 237.347 2.510 30 20 BFED C[C@@H](C#N)N(Cc1cnn(C(C)(C)C)c1)C1CC1 595711332 YRFSHVJCPHJYJC-NSHDSACASA-N 246.358 2.515 30 20 BFED N#CCCCCNc1nccnc1OC1CCC1 596108351 UNIAGQONVBZKSW-UHFFFAOYSA-N 246.314 2.514 30 20 BFED C=CCSCc1csc(C(=O)OC)c1 596338408 PJEFTJTVWHOOLL-UHFFFAOYSA-N 228.338 2.954 30 20 BFED CC1(C)CN(CCCC#N)[C@H]1c1ccncc1 596591142 GXLDTMQNVYEPPK-ZDUSSCGKSA-N 229.327 2.768 30 20 BFED Cc1ccccc1C[C@@H](C)C(=O)N(C)CCC#N 599150661 CGVIRHGEJCWZRX-CYBMUJFWSA-N 244.338 2.546 30 20 BFED Cc1ccc([C@H](C)CNC[C@H](C)C#N)cc1 600144872 PJMRBXVYIFPKMB-CHWSQXEVSA-N 216.328 2.848 30 20 BFED CC[C@@](C)(CN(CC#N)C1CCCC1)OC 602475413 AGKRJMJTJGFECB-ZDUSSCGKSA-N 224.348 2.570 30 20 BFED CC[C@H]1CN(C[C@H](C)CCC#N)C[C@@H](CC)O1 602697124 HXAQOONNSWRJMO-MCIONIFRSA-N 238.375 2.816 30 20 BFED C[C@H](CC(=O)NC1(C#N)CC1)CC(C)(C)C 609989818 NHJDQZXHXMSHDB-SNVBAGLBSA-N 222.332 2.621 30 20 BFED Cc1cc(C)c(C#N)c(NCC(C)(C)C#N)n1 611617851 HMJVYEHYMLUEBV-UHFFFAOYSA-N 228.299 2.532 30 20 BFED CCN(Cc1ccc(F)c(F)c1)[C@H](C)C#N 612061024 XIAKQJHNRUDEAK-SECBINFHSA-N 224.254 2.699 30 20 BFED CC(C)(C)OCCCCN1CC[C@](F)(C#N)C1 616116356 KATZBYZWKZLQIY-ZDUSSCGKSA-N 242.338 2.519 30 20 BFED C=CC[C@H](C)NC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 625698616 SFUJOVLZQMFCAN-CJYSPXJISA-N 241.334 2.653 30 20 BFED CC#CCN(C)C(=O)C/C=C/Cc1ccccc1 635969171 ANUIUIDHJZLDQW-CMDGGOBGSA-N 241.334 2.657 30 20 BFED C=CC1CCN(C(=O)c2cnc(C3CC3)o2)CC1 639720002 RRFLTCFEMGEUOL-UHFFFAOYSA-N 246.310 2.590 30 20 BFED C=CCCNC(=O)NCCC1=CCCCC1 656542320 KIRXDHSFVXENJQ-UHFFFAOYSA-N 222.332 2.752 30 20 BFED C=C(CC)CNCc1cc(COC)cs1 657483875 FFJASLGEHXPBBM-UHFFFAOYSA-N 225.357 2.950 30 20 BFED C=CCCNC(=O)NCc1ccccc1CC 660729915 XUTVCGHGERFBLD-UHFFFAOYSA-N 232.327 2.624 30 20 BFED C=CC[C@@H]1CCCN(Cc2cnc(C)nc2)C1 661382114 SHQCQOCIGYHGQR-CYBMUJFWSA-N 231.343 2.573 30 20 BFED C=CCCNC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 661564613 CCQGKKSGDBDALZ-QWHCGFSZSA-N 236.359 2.831 30 20 BFED COCC#CCn1cc(-c2ccc(C)cc2)cn1 677806049 NIPXQOAIZDUEEZ-UHFFFAOYSA-N 240.306 2.508 30 20 BFED N#Cc1c(F)cccc1N[C@H]1C=CCC1 698204348 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30 20 BFED CSCCON=Cc1ccnc2ccccc12 794573104 QRQWPPCGGVTSFJ-UHFFFAOYSA-N 246.335 2.948 30 20 BFED CCOCCON=C1CCC(C(F)F)CC1 799484555 FVJZNILVZVNLAQ-UHFFFAOYSA-N 235.274 2.851 30 20 BFED CCCCCCCC(=O)NCC1=CCCOC1 807849950 GTZLUVQRIBQVRJ-UHFFFAOYSA-N 239.359 2.810 30 20 BFED CC(=NN[C@@H]1CCSC1)c1ccccc1F 808000561 QBBMCSWREOJHJS-SNVBAGLBSA-N 238.331 2.645 30 20 BFED Cc1cccc(C(=O)/C=C/c2cnccn2)c1C 809154048 LXMFETOROYNHMD-VOTSOKGWSA-N 238.290 2.990 30 20 BFED C#CCCOc1cc(C=O)cc(C(F)(F)F)c1 810030039 QURVASXDEOGKAH-UHFFFAOYSA-N 242.196 2.920 30 20 BFED C1CC2(C1)CC(=NNC[C@H]1CCSC1)C2 811657641 CMQOOUOGJKPJIQ-SNVBAGLBSA-N 224.373 2.649 30 20 BFED C#CCON=C1CCCC[C@@H]1N1CCCCCC1 812234262 VORZWOQHNDGREL-HNNXBMFYSA-N 248.370 2.811 30 20 BFED C#CCON=C1CC[C@H]2CCCC[C@@H]2C1 812236785 YKLRYAPIYAZJES-VXGBXAGGSA-N 205.301 2.983 30 20 BFED CN(C)[C@H]1CCCC(=NOCCC2CC2)C1 814246137 UFBLYCAPICMXIW-ZDUSSCGKSA-N 224.348 2.663 30 20 BFED CON=C1CC[C@@H](c2ccccc2)C[C@H]1OC 814797805 VCBSYUHLHULWEL-TZMCWYRMSA-N 233.311 2.972 30 20 BFED CCC(CC)[C@H](C)C(=O)OCCOCCC#N 815224085 ZERQQRMALIUSSV-NSHDSACASA-N 241.331 2.532 30 20 BFED C=C(C)C(C)(C)C(=O)OC[C@](C)(CC)OC 821337590 ABMFTEZXKNKQRW-ZDUSSCGKSA-N 228.332 2.947 30 20 BFED C#Cc1cnc(N[C@H]2C[C@@H]2Cc2ccccc2)nc1 827679449 KOIXYCBWLZMTOH-GJZGRUSLSA-N 249.317 2.501 30 20 BFED CC(C)C#CC(=O)N[C@H]1CSc2ccccc21 828109912 ZXWXJPMPLWHYDK-LBPRGKRZSA-N 245.347 2.609 30 20 BFED C=C[C@H](CC)OC(=O)c1cccc(NC(=O)O)c1 833370896 IRZAJZHFSYUHSM-LLVKDONJSA-N 249.266 2.898 30 20 BFED Cc1ccc(F)c(CN(C)C(=O)C#CC(C)C)c1 834533752 QBLKGIBPTFQCAE-UHFFFAOYSA-N 247.313 2.752 30 20 BFED CC(=NN1CCOCC1)[C@H]1CCCC[C@@H]1C 834918040 RGZBOFQBWQGIPR-AAEUAGOBSA-N 224.348 2.521 30 20 BFED C(CCc1cnoc1)=NOC1CCCCC1 834972062 KJBQQLUURQLAPF-UHFFFAOYSA-N 222.288 2.942 30 20 BFED C=CCON=C1CCCc2ccc(OC)cc21 835014866 BGASKHUKWWVEAT-UHFFFAOYSA-N 231.295 2.938 30 20 BFED C=C(C)[C@@H](C)OC(=O)c1cc(C)n(C(C)C)n1 835298311 MSKBEARNNPWUDM-LLVKDONJSA-N 236.315 2.894 30 20 BFED 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30 20 BFED C=CCC[C@@H]1CCCN1C(=O)c1ccn(C)c1 1339281024 XGFGJSVLSCBKJB-CYBMUJFWSA-N 232.327 2.596 30 20 BFED C=C(CC(C)C)C(=O)N1CCC[C@@H]1CSC 1348127685 KRTHAXVXUKSNJS-GFCCVEGCSA-N 241.400 2.943 30 20 BFED C=C(C)CCC(=O)N[C@H](C)CN(CC)CCC 1353691342 WXNWBOXXFNJXSG-CYBMUJFWSA-N 240.391 2.579 30 20 BFED C=CCCC(=O)O[C@H](C)CC#Cc1cccnc1 1519046724 IMPWKGXYYMPMPX-CYBMUJFWSA-N 243.306 2.721 30 20 BFED C=C(C)C(C)(C)C(=O)OCc1cncn1CC 1527012652 WFNCMNUYSLYKJB-UHFFFAOYSA-N 236.315 2.549 30 20 BFED C=C(C)CN1CCC[C@H](c2ccnc(C)n2)C1 1559491268 CDDRVRUXGCBPMN-ZDUSSCGKSA-N 231.343 2.541 30 20 BFED C=C(C)CCOc1ccc(-c2nn[nH]n2)cc1C 1588425228 YHDCSTRIKYSJHA-UHFFFAOYSA-N 244.298 2.520 30 20 BFED N#C[C@H](SCC(=O)O)c1ccc(Cl)cc1 1594602797 ZVTCKZPVEUGPIQ-VIFPVBQESA-N 241.699 2.722 30 20 BFED C=C1C[C@@H](C(=O)O)N(Cc2ccc(C)cc2C)C1 1776146471 XEJSOLAFHFSIHP-AWEZNQCLSA-N 245.322 2.519 30 20 BFED COc1ccc2nc(S[C@H](C)C#N)[nH]c2c1 4252470 KXDNZRBBZCYQJA-SSDOTTSWSA-N 233.296 2.576 30 20 BFED 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C=CC[C@H](N[C@H](CC)C[C@@H](C)CC)C(=O)O 1334017162 RQLCOQLFCATLEH-TUAOUCFPSA-N 227.348 2.820 30 20 BFED C#CC[C@@H](NC(=O)[C@@H](F)CC)c1ccccc1 1336964736 STUBZMVEONHDBQ-QWHCGFSZSA-N 233.286 2.615 30 20 BFED C=C(C)CCC(=O)N1CCOc2cccc(F)c21 1337296919 JSXSCWRMOIJNQL-UHFFFAOYSA-N 249.285 2.907 30 20 BFED C=CCC[C@H]1CCCN1c1nc(C)cc(C#N)n1 1338153765 AYOLOYWTVWWCID-ZDUSSCGKSA-N 242.326 2.592 30 20 BFED C=C[C@H](CC)CC(=O)NC/C=C/C1CC1 1342457749 FDQMXXUOUKUYPE-MVIFTORASA-N 207.317 2.671 30 20 BFED C=C(C)Cn1c(C)nnc1N1CCC[C@@H]1CCC 1346671711 YZFXVZBJRLUWIP-ZDUSSCGKSA-N 248.374 2.932 30 20 BFED Cc1coc(C(=O)N[C@](C)(C#N)C(C)C)c1C 1346837538 GWLQHVUVYIPXAD-CYBMUJFWSA-N 234.299 2.565 30 20 BFED C=C(CC)C(=O)Nc1ccccc1OCCF 1347135711 OFMWZQCJESRASL-UHFFFAOYSA-N 237.274 2.940 30 20 BFED C=C(CC)C(=O)N[C@H]1C[C@]1(F)c1ccccc1 1348746797 MFDLMFKGVZJJJH-JSGCOSHPSA-N 233.286 2.706 30 20 BFED C=C(CC(C)C)C(=O)Nc1cnn(C)c1Cl 1350092034 XFASTMPUCFEOQX-UHFFFAOYSA-N 241.722 2.614 30 20 BFED C#CC(=O)N1CCC(c2cc(C)ccc2C)CC1 1355430689 SXJDMPURQADNTL-UHFFFAOYSA-N 241.334 2.643 30 20 BFED C=CCCCCSc1ncc(C(=O)O)[nH]1 1588802140 DBZJUGIWSBUSJK-UHFFFAOYSA-N 226.301 2.556 30 20 BFED Cc1cc(N[C@@H]2CC[C@H](C#N)C2)cc(C(=O)O)c1 1600280167 YCCPIWJMTOKEFR-CMPLNLGQSA-N 244.294 2.797 30 20 BFED C=C1CCC(CNCc2c[nH]c(C(=O)O)c2)CC1 1602791904 FACBGQAJBXOQOT-UHFFFAOYSA-N 248.326 2.549 30 20 BFED C#CCNc1nc(C)nc2sc3c(c12)CCC3 8120370 SNZFHDVAPRDZSM-UHFFFAOYSA-N 243.335 2.534 30 20 BFED N#CCCCN[C@H]1CCc2ccccc21 35221915 KDJAUFFPZONRHV-ZDUSSCGKSA-N 200.285 2.567 30 20 BFED N#Cc1ccc(N2CCc3ccc(F)cc32)nc1 58553949 ZDLBDOGOIKXRBT-UHFFFAOYSA-N 239.253 2.787 30 20 BFED CC[C@H](C#N)NC(=O)c1ccc(C)c(Cl)c1 63021660 ZYBBKHRQBVAHMR-SNVBAGLBSA-N 236.702 2.680 30 20 BFED N#CCCCN1CCO[C@H](c2cccc(F)c2)C1 66848618 NOLDIFCKRXADMB-AWEZNQCLSA-N 248.301 2.503 30 20 BFED N#Cc1ccc(Nc2ccc3[nH]ncc3c2)nc1 73803003 AZCIPJBYUWJWDT-UHFFFAOYSA-N 235.250 2.573 30 20 BFED C=C(C)CN(CC)C(=O)c1cc2ccccn2c1 74043639 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30 20 BFED C#CCSCCN[C@H](C)CCc1ccco1 119098951 HAQGWNANKUBBNV-GFCCVEGCSA-N 237.368 2.557 30 20 BFED C=CCC[C@H](NCc1cccnc1)C1CC1 119800423 VXKMAMXGWRBYIC-AWEZNQCLSA-N 216.328 2.916 30 20 BFED C#CCCCCC(=O)N[C@@H](C)CCSCC 120228561 RDWYWWGHGUHNLG-LBPRGKRZSA-N 241.400 2.828 30 20 BFED CCN(Cc1ccc(C#N)s1)C[C@H](C)C#N 120517140 WELJYAFOKNINQZ-SNVBAGLBSA-N 233.340 2.601 30 20 BFED C=CCC[C@H](N[C@@H]1C[C@@H](C)N(C2CC2)C1)C1CC1 121605446 UYPWFPJPQLVBHE-XPKDYRNWSA-N 248.414 2.946 30 20 BFED CC1(C)C[C@H]1C(=O)Nc1ccc(F)c(C#N)c1 124012425 SJXMSEFRAZMFFH-JTQLQIEISA-N 232.258 2.682 30 20 BFED C=CCCC(=O)N(C)Cc1cccc(N(C)C)c1 125940225 ZOCMKXJAHSNMOL-UHFFFAOYSA-N 246.354 2.677 30 20 BFED C=CCCN[C@@H]1CCCC[C@@H]1n1cccn1 128668997 ZFRIVVBXQRJWHN-OLZOCXBDSA-N 219.332 2.533 30 20 BFED N#CCCCOc1c(Cl)cccc1[N+](=O)[O-] 129060818 VBRQGHBTIMBMPJ-UHFFFAOYSA-N 240.646 2.931 30 20 BFED N#Cc1ccc(NC[C@@H]2Cc3ccccc32)cn1 129253256 ZEKXRAPXVCXBKW-LBPRGKRZSA-N 235.290 2.705 30 20 BFED CO[C@H]1CCCC[C@@H]1/N=C/c1ccccc1O 132367226 GUFCTVKLSUKBRU-GVQJTDQKSA-N 233.311 2.769 30 20 BFED C=C(C)COc1cc(F)cc([N+](=O)[O-])c1 135350507 RRCOYXKHSGOEBB-UHFFFAOYSA-N 211.192 2.689 30 20 BFED C[C@@H](CC#N)Nc1nc(C(F)(F)F)cs1 153402778 VOKAAQIRNFZRDP-YFKPBYRVSA-N 235.234 2.876 30 20 BFED C#CCOc1cc(F)ccc1NC(=O)C1CCC1 155214412 GRWLUVYJOPKOLA-UHFFFAOYSA-N 247.269 2.576 30 20 BFED C=CCN(CC=C)Cc1cccc2cn[nH]c12 158127286 CLTLAYHVMQVQHN-UHFFFAOYSA-N 227.311 2.737 30 20 BFED Cc1cc(C)c(C#N)c(N[C@H]2CCCSC2)n1 158680464 GDCZSYASFPQIFD-NSHDSACASA-N 247.367 2.878 30 20 BFED C=CCN(C)C(=O)c1ccc(N(C)CCC)cc1 161612386 DYERCUUHZRMKDF-UHFFFAOYSA-N 246.354 2.791 30 20 BFED CC(C)[C@](C)(C#N)NC(=O)[C@H]1CCC[C@H](C)C1 162662615 ORIXVBBMUJTRBY-OBJOEFQTSA-N 236.359 2.867 30 20 BFED C=CCCCN1CC[C@@H](CN(CC)CC)C1 174226411 VDUHDARYVVEJEM-AWEZNQCLSA-N 224.392 2.616 30 20 BFED CC(C(=O)OCCCC#N)=C1CCCC1 175758358 ZYZUPTUOBPZAIG-UHFFFAOYSA-N 207.273 2.724 30 20 BFED CCC1(C(=O)[C@@H](C#N)c2ccccn2)CCC1 176088433 ZXYFPEWOGVOTQG-NSHDSACASA-N 228.295 2.838 30 20 BFED C=CCCSCC(=O)N1CCCC[C@H]1C 177855746 IUHXFQIEGONKKZ-LLVKDONJSA-N 227.373 2.697 30 20 BFED C#CCNc1cc(C)n(-c2ccc(C)cc2)n1 182331762 KJFNGARFDSOCBN-UHFFFAOYSA-N 225.295 2.534 30 20 BFED C=CCOc1cccc(CNC[C@H](C)C#N)c1 183813535 VPCKAMCYSTYMBN-GFCCVEGCSA-N 230.311 2.501 30 20 BFED C[C@H](NCC#N)c1ncc(-c2ccccc2)o1 184869679 AHHJDXRPTNPRIY-JTQLQIEISA-N 227.267 2.516 30 20 BFED COCCOc1ccc(S[C@@H](C)C#N)cc1 185033538 BMCYPQGHCIAJLU-JTQLQIEISA-N 237.324 2.716 30 20 BFED C#CCCCC(=O)OC[C@@H]1CC1(Cl)Cl 190706535 XCBNLBNLCSLOFZ-QMMMGPOBSA-N 235.110 2.527 30 20 BFED CC1(C)C[C@H](N[C@@H]2CCC[C@H](C#N)C2)CCO1 193049272 RHAHAHOFPIHGDG-YNEHKIRRSA-N 236.359 2.616 30 20 BFED CCc1ccc(CCC(=O)N[C@@H](C#N)CC)cc1 195526066 AAXPJMGTQALGTF-CQSZACIVSA-N 244.338 2.600 30 20 BFED N#Cc1cccc(N2CCC[C@@H]3CCC[C@H]32)n1 228015699 ZFMPCNJSKQPIOO-WCQYABFASA-N 227.311 2.722 30 20 BFED Cc1cc(COc2cc(C#N)ccc2C)on1 229948051 PJPOLZLQUGDCRC-UHFFFAOYSA-N 228.251 2.742 30 20 BFED CS[C@@H]1CC[C@H](Nc2cccc(C#N)n2)C1 230917566 WTVRBGUWOPSWQA-GXSJLCMTSA-N 233.340 2.649 30 20 BFED Cc1cccc([C@H](N)CC#N)c1Br 238546176 DVJONMPCJZXSKF-SECBINFHSA-N 239.116 2.671 30 20 BFED N#Cc1ccncc1NC[C@@H]1C[C@H]2CC[C@H]1C2 252502321 HFXNOSVSUHPOBG-GVXVVHGQSA-N 227.311 2.801 30 20 BFED CC(C)(CNCCC#N)c1ccc(F)cc1 258837457 CACBHYKDICASJS-UHFFFAOYSA-N 220.291 2.607 30 20 BFED C#CCN(CC)C(=O)Nc1ccccc1OCC 267282119 IFNBOOFXNXXPCY-UHFFFAOYSA-N 246.310 2.572 30 20 BFED C=C1CCN(C(=O)/C=C2\CC[C@H](C)C2)CC1 267890185 WSQBUQVBCDXNKO-CVCOIXHCSA-N 219.328 2.911 30 20 BFED C[C@H](Sc1ccc(C#N)cn1)C(F)(F)F 269161353 OMPUMTVLXCJCDG-LURJTMIESA-N 232.230 2.996 30 20 BFED C=CCCCC(=O)N(C)[C@@H](CC)CSC 271512476 NSHRKUABWTYKDL-NSHDSACASA-N 229.389 2.943 30 20 BFED C=CCCCCNC(=O)[C@@H]1CC=CCC1 274494244 SAKWCZMAKSQVIO-GFCCVEGCSA-N 207.317 2.815 30 20 BFED C=CC[C@@H]1N(Cc2nccn2C)CCCC1(C)C 277939775 ZGMAXUMGFABAHK-ZDUSSCGKSA-N 247.386 2.987 30 20 BFED Cc1cc(OC(=O)CC2CC2)ccc1C#N 278078664 XQKCARSDMFSGLL-UHFFFAOYSA-N 215.252 2.572 30 20 BFED CC(C)(C#N)CC(=O)N1CCc2ccc(F)cc21 278235628 KGGSBAGUSBYRMZ-UHFFFAOYSA-N 246.285 2.655 30 20 BFED C=C(CN[C@H](C)c1ccnn1C)c1ccccc1 278854599 VXNOQJVNRIKZGN-CYBMUJFWSA-N 241.338 2.784 30 20 BFED CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc(C#N)oc1C 281431074 YVUXMABAGUMMBO-TVQRCGJNSA-N 246.310 2.720 30 20 BFED CC#CC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 283178299 LCKYPFWCDUOBRQ-RISCZKNCSA-N 245.297 2.759 30 20 BFED C#CCNC(=O)N(C1CC1)[C@@H](C)c1ccccc1 285197333 VSWHCIKTSBCFSD-LBPRGKRZSA-N 242.322 2.555 30 20 BFED C=C(C)CCN1CC[C@](CO)(c2ccccc2)C1 291842096 OPYMXTFKSYENAG-INIZCTEOSA-N 245.366 2.589 30 20 BFED C=CCOCCSc1ccc(OC)cc1 292631928 KSJSFBPRJIACDS-UHFFFAOYSA-N 224.325 2.990 30 20 BFED C=CCOCCN(C)C[C@H](C)c1ccccc1 292709048 AZLVORFFRGHXSP-AWEZNQCLSA-N 233.355 2.925 30 20 BFED C=CC(C)(C)C(=O)N[C@H](C)CC(=O)c1ccco1 294980636 OMABFBFTGRCHAN-SNVBAGLBSA-N 249.310 2.569 30 20 BFED C=CC(C)(C)C(=O)Nc1cc(F)ccc1O 295467000 YXXOAUFJLQFESN-UHFFFAOYSA-N 223.247 2.682 30 20 BFED 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CC(Cc1cccc(C)c1)=NOC[C@@H]1CCOC1 872368506 WDEJRAKATXGOHX-OAHLLOKOSA-N 247.338 2.967 30 20 BFED C/C(C=NN1CCC1)=C/c1ccccc1 872394998 SFDBMTQCBXNRHO-XOBFNKJCSA-N 200.285 2.781 30 20 BFED C=CC(C)(C)CC(=O)NC[C@@H](C)C1CC1 878411559 KVRAWKAHNSBYBB-SNVBAGLBSA-N 209.333 2.751 30 20 BFED C=CC(C)(C)CC(=O)NC1(COC)CCCC1 880660369 JOONIZPGEMGYEH-UHFFFAOYSA-N 239.359 2.664 30 20 BFED C=CCCCCNC(=O)c1ccn(CC(C)C)n1 890002806 YEFDVCVEWHUOJS-UHFFFAOYSA-N 249.358 2.625 30 20 BFED O=C(C#Cc1cccs1)N1C[C@H]2CCC[C@H]1C2 890311098 KOESTWQYXLTLLN-RYUDHWBXSA-N 245.347 2.501 30 20 BFED C[C@H]1CCC[C@@H](C)[C@@H]1OC(=O)CSCC#N 893313651 YKPVAYABFQFERA-IAZYJMLFSA-N 241.356 2.611 30 20 BFED C#Cc1ccc(N[C@H](C)COC(C)C)cc1 898497700 BHBNKQQFUOSWGL-GFCCVEGCSA-N 217.312 2.893 30 20 BFED C[C@@H]1CC(=NN[C@@H]2CCCC[C@H]2O)C[C@@H](C)C1 901339814 ZIDZUXDUKGIESW-CDGCEXEKSA-N 238.375 2.692 30 20 BFED CC(=O)C(C)=NOCC[C@@H]1CC1(Cl)Cl 902757951 DHSMTEOFWSUWTE-MRVPVSSYSA-N 238.114 2.552 30 20 BFED C=CCS(=O)(=O)[C@@H]1CCCc2ccccc21 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246.310 2.706 30 20 BFED C#Cc1ccc(NC(=O)N(C)C2CCC2)cc1 934935452 FXEIBPLYCKEDKG-UHFFFAOYSA-N 228.295 2.684 30 20 BFED C#CCN(CC1CC1)C(=O)[C@H](C)c1ccc(C)o1 1116366294 LAWZRMFTIZEDKH-GFCCVEGCSA-N 245.322 2.563 30 20 BFED CC[C@H](C#N)C(=O)Nc1ccc2ccccc2n1 1141704448 LJNULHYNZRWXRO-SNVBAGLBSA-N 239.278 2.723 30 20 BFED C=C(CC)C(=O)N1CCc2ccccc2CC1 1263732806 RIEACQYLXWUKMF-UHFFFAOYSA-N 229.323 2.580 30 20 BFED O=C(CC#Cc1ccccc1)N[C@H]1CC=CCC1 1319126818 FZSDWYDPECZOSW-HNNXBMFYSA-N 239.318 2.653 30 20 BFED C=CCCCc1nnc(-c2ccccn2)o1 1326929875 DGFVPALOFVDPRX-UHFFFAOYSA-N 215.256 2.640 30 20 BFED C=CCOCCN1CC[C@H]2CCCC[C@@H]2C1 1327799852 ASUIXGUIQIVBMF-ZIAGYGMSSA-N 223.360 2.701 30 20 BFED C=CC[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)C(=O)O 1334016591 PBMQGGUHTODSCZ-DLOVCJGASA-N 249.310 2.522 30 20 BFED C=C(C)CCC(=O)NCc1ccccc1N(C)C 1336316036 JLJBHJAGXFYQRB-UHFFFAOYSA-N 246.354 2.725 30 20 BFED CC[C@H](F)C(=O)Nc1ccc(Cl)c(C#N)c1 1337687747 FJAJRGNCTKFRSQ-JTQLQIEISA-N 240.665 2.898 30 20 BFED C=CC(C)(C)CC(=O)O[C@@H]1CC[C@@H](C#N)C1 1343401707 CLXJARUNTJLLRO-GHMZBOCLSA-N 221.300 2.824 30 20 BFED C#CCN(CC1CC1)C(=O)C1=CC[C@@H](C)CC1 1344494091 XGUIJTYEABPLDA-GFCCVEGCSA-N 231.339 2.605 30 20 BFED C=C[C@H](CC)OC(=O)c1ccc(C#N)cc1OC 1345340904 PASFNCSGBGOVFH-LLVKDONJSA-N 245.278 2.688 30 20 BFED C=C(CC)C(=O)N1CCC[C@H](C2CC2)C1 1347597201 RVYDYJPGTKQOGI-LBPRGKRZSA-N 207.317 2.601 30 20 BFED CC[C@H](C#N)N(CC)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 1349907226 PYVSDDVCPSIYLW-YVECIDJPSA-N 234.343 2.573 30 20 BFED C#C[C@H](C)N(C)c1nnc([C@H](C)C(C)C)n1CC 1352262002 HSKYMFJSUGKUKT-NWDGAFQWSA-N 248.374 2.515 30 20 BFED C=C[C@H](C(=O)N(C)C(C)C)c1ccccc1 1520773844 YXUZUUJWDLRCLS-ZDUSSCGKSA-N 217.312 2.823 30 20 BFED C=CCCN[C@@H]1CCCc2ccc(C(=O)O)cc21 1588807456 KVRBSQIBZORNIO-CQSZACIVSA-N 245.322 2.928 30 20 BFED C=C(C)CNC[C@H](C)N(C)C(=O)CCCCC 1753678951 GASTVBZGFJGGJN-ZDUSSCGKSA-N 240.391 2.579 30 20 BFED C=C1C[C@@H](C(=O)O)N(CCC(C)(C)CC)C1 1776145815 OAYYIJBHIQUDKD-NSHDSACASA-N 225.332 2.528 30 20 BFED CCc1c(C)nc(-c2ccsc2)nc1C#N 1898208420 WWDYBBYLJBXIEV-UHFFFAOYSA-N 229.308 2.948 30 20 BFED CC(C)OCCCC(=O)Nc1ccc(C#N)cc1 19847420 VONUVPRVPQWQRB-UHFFFAOYSA-N 246.310 2.702 30 20 BFED COc1ccccc1N(C)CCCCC#N 49966628 DIMVNSDRKHXGKT-UHFFFAOYSA-N 218.300 2.825 30 20 BFED N#Cc1cccc(NC[C@H]2CCC=CO2)c1 50267357 ZGKOXPWAMMBLCH-CYBMUJFWSA-N 214.268 2.663 30 20 BFED C#CCN1CCC[C@@H]1c1cccc(F)c1 52455512 GBCCWEJDNCUJCV-CYBMUJFWSA-N 203.260 2.596 30 20 BFED C=C(C)CN(C)Cc1ccc(OC)c(F)c1 53096884 KEOUARBTXVESGC-UHFFFAOYSA-N 223.291 2.842 30 20 BFED Cc1ccc(Nc2nccnc2C#N)cc1F 54379109 UJYUMPORNHQZQW-UHFFFAOYSA-N 228.230 2.539 30 20 BFED CN(CCCCC#N)Cc1cccc(C#N)c1 61559615 WKSGSYGKOAENAE-UHFFFAOYSA-N 227.311 2.684 30 20 BFED C[C@@H](CNc1ccc(C#N)cc1Cl)N(C)C 62791004 OMNJMZARLSARJH-VIFPVBQESA-N 237.734 2.574 30 20 BFED CN(CCC(F)(F)F)Cc1cccc(C#N)c1 64635096 IHSGLBYEQHOGFW-UHFFFAOYSA-N 242.244 2.942 30 20 BFED C=C(C)CN(CC)c1cc(C)c([N+](=O)[O-])cn1 74739639 NTBKFOHGRCYLFE-UHFFFAOYSA-N 235.287 2.701 30 20 BFED CC#CCSc1ncnc2ccsc12 78954691 FROIIRVBRNPSQP-UHFFFAOYSA-N 220.322 2.807 30 20 BFED C=C(C)CN(CC)C(=O)c1cc(C(C)C)n(C)n1 81828155 KFSOCBGFLJTESP-UHFFFAOYSA-N 249.358 2.582 30 20 BFED C#CCNC(=O)[C@H](C)c1ccc2ccccc2c1 84578556 MKOZJOOHRPUJIJ-GFCCVEGCSA-N 237.302 2.693 30 20 BFED CC[C@@H]1CCC[C@@H](Nc2nccnc2C#N)C1 85066453 AWVFVGGHGABJMJ-GHMZBOCLSA-N 230.315 2.729 30 20 BFED CCCCS(=O)(=O)CCCC(C)(C)C#N 87611092 PFDYRIYCAFVVML-UHFFFAOYSA-N 231.361 2.531 30 20 BFED C=C(C)COCCN[C@H](C)Cc1ccsc1 90451171 RSNIUEBRWAJHRX-GFCCVEGCSA-N 239.384 2.861 30 20 BFED C[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 106420653 LQJYLGJYLJAJPE-FXAINCCUSA-N 248.713 2.677 30 20 BFED N#CCOc1ccc(NCc2nccs2)cc1 110922267 BREZGSDIASIXOL-UHFFFAOYSA-N 245.307 2.658 30 20 BFED N#Cc1ccc(N2CC[C@@H]3CCCC[C@@H]32)nc1 111249432 KVAXWZFQEYPKDP-STQMWFEESA-N 227.311 2.722 30 20 BFED C=CCNC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 115641891 UVJJNILQGWBPQU-OCCSQVGLSA-N 244.338 2.760 30 20 BFED C=CC[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1C 116934480 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C=CCCCCCN[C@](C)(CCC)C(=O)O 233316746 BRXHMCDSJSMMKW-CYBMUJFWSA-N 227.348 2.966 30 20 BFED N#Cc1ccc(F)c(CSc2ncco2)c1 236156521 ILELEYFKHWHDNU-UHFFFAOYSA-N 234.255 2.978 30 20 BFED N#Cc1ccnc(N2CC[C@H]3CCCC[C@H]3C2)c1 252371680 CKVRLJBGLSXYAG-KGLIPLIRSA-N 241.338 2.970 30 20 BFED C[C@H]1CCN(CCC(C)(C)C#N)C[C@H]1C 252744705 STZJBGKBYBBTIG-NWDGAFQWSA-N 208.349 2.904 30 20 BFED N#CC1(NC(=O)/C=C\c2ccc(Cl)cc2)CC1 255325240 HJFPUAREUDTZKR-UTCJRWHESA-N 246.697 2.526 30 20 BFED N#CCC1CCN(C(=O)c2cccs2)CC1 260045615 PCIMWQPSCQMLKV-UHFFFAOYSA-N 234.324 2.514 30 20 BFED N/C(=N/C1CCC1)Nc1cccc2c1CCCC2 262502030 AANLMOXSTNZUCD-UHFFFAOYSA-N 243.354 2.845 30 20 BFED C[C@@H]1CCCN(/C(N)=N/CC2=CCCCC2)C1 263034117 BQGMJGYGYVEIMX-GFCCVEGCSA-N 235.375 2.533 30 20 BFED C=CCCCCCN(C)C(=O)c1cncs1 265729210 QYKQOANXTUUZFV-UHFFFAOYSA-N 238.356 2.962 30 20 BFED CC(C)(C)[C@H](C#N)NC(=O)CCc1ccccc1 267204537 GJXAAFRDCKCFPR-ZDUSSCGKSA-N 244.338 2.674 30 20 BFED C=C1CCN(Cc2ccc(OC)c(C#N)c2)CC1 269713456 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N#CC1(C(=O)Nc2cncc(F)c2)CCCCC1 281412779 PPYHUXJMFMEYEV-UHFFFAOYSA-N 247.273 2.633 30 20 BFED C=CC[C@H](CC)NCc1ncc(C)s1 296685522 HDRGXJAXJOQDBW-JTQLQIEISA-N 210.346 2.896 30 20 BFED Cc1cc([C@@H](C)Nc2ncncc2C#N)c(C)o1 302550791 VJFHGDQHYCCUNA-SECBINFHSA-N 242.282 2.731 30 20 BFED CC(C)[C@](C)(O)CN[C@H](C)c1cccc(C#N)c1 305774429 JCKUOAVVUUWABE-IUODEOHRSA-N 246.354 2.616 30 20 BFED C#Cc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 309591089 ZHXXEGQBZKYZDX-GXTWGEPZSA-N 210.280 2.772 30 20 BFED C[C@H](CN[C@@H]1CCC[C@H](C#N)C1)C(F)(F)F 309775271 PMRQSROMHJZYAN-KXUCPTDWSA-N 234.265 2.857 30 20 BFED C=CC[C@@H](C)NCc1cc(F)cc(OC)c1 312279543 UOAPUEASXOPRTA-SNVBAGLBSA-N 223.291 2.889 30 20 BFED CC[C@](C)(C#N)C(=O)NCCCC(C)(C)C 313465159 CAMDBJGMDWWLPF-CYBMUJFWSA-N 224.348 2.869 30 20 BFED C=CCC[C@H](CO)NC(CCC)CCC 320519306 OCYONADLBLNJMI-CYBMUJFWSA-N 213.365 2.872 30 20 BFED CC[C@H]1CC[C@@H](C)N1C(O)=Nc1ccnnc1C 330121024 JIJYQZWJWKSPNI-KOLCDFICSA-N 248.330 2.593 30 20 BFED CC(C)(C)c1ncsc1/C(O)=N/CCC#N 331156348 BTLJQXFKCSOJCK-UHFFFAOYSA-N 237.328 2.659 30 20 BFED C[C@H](C1CC1)n1cc(N[C@H]2CC[C@@H](C#N)C2)cn1 333097031 PHEVXPMVJYVCCB-WZRBSPASSA-N 244.342 2.958 30 20 BFED C[C@@H]1CCN(CC2(C#N)CC2)CC12CCC2 334261077 SOWYEPKMDCZIOB-GFCCVEGCSA-N 218.344 2.802 30 20 BFED C=CCC1(C(=O)N2CCSC[C@H]2C)CCC1 334540133 CCKUDBJWUSCYNF-LLVKDONJSA-N 239.384 2.697 30 20 BFED C[C@@H]1CC(C)(C)CN1c1cc(C#N)ccn1 334715477 LWORMPNYDKCMAV-SNVBAGLBSA-N 215.300 2.578 30 20 BFED COc1ccc(F)cc1N[C@@H]1CC[C@H](C#N)C1 335230491 WPFXCTBKGQUODJ-GXSJLCMTSA-N 234.274 2.938 30 20 BFED CC(C)[C@H](C)C(=O)N1CCc2c(C#N)cccc21 335478709 FHHWEDLXJWYOJY-NSHDSACASA-N 242.322 2.739 30 20 BFED Cc1cc(CN[C@H]2CCO[C@@H](C)C2)ccc1C#N 335876598 LUSQUGCKWZUBNT-WFASDCNBSA-N 244.338 2.524 30 20 BFED COc1cc(C)ccc1CN1CCC(C#N)CC1 336225740 CNTBRRKPZLDMAG-UHFFFAOYSA-N 244.338 2.739 30 20 BFED C=C[C@H](C)N[C@H](C)c1cnn(C(C)C)c1C 336731896 FLWBZXDQFZDCLV-WDEREUQCSA-N 221.348 2.998 30 20 BFED CC1(CC(=O)N(CC#N)C2CC2)CCCCC1 337915588 PCYWPQLRJHPABB-UHFFFAOYSA-N 234.343 2.861 30 20 BFED C=CCOCCN[C@@H](CC)c1c(C)noc1C 339086130 XUCYRJCWRVFIGE-LBPRGKRZSA-N 238.331 2.535 30 20 BFED CC#CCN(C)CCCCC1CCOCC1 339755447 HPVUSAIUGCWEHB-UHFFFAOYSA-N 223.360 2.538 30 20 BFED C=CC[C@@H](CC)NC(=O)C1(CCOC)CCC1 341644125 FEIDIWBENLSQCG-GFCCVEGCSA-N 239.359 2.664 30 20 BFED C=CCCOCCCCC(=O)Nc1cccnc1 342616769 IGFDIBBWTLLTCY-UHFFFAOYSA-N 248.326 2.783 30 20 BFED C=CCOCc1nc([C@H]2CCC(F)(F)C2)no1 343235178 VCUQVRCKGJEBDI-QMMMGPOBSA-N 244.241 2.675 30 20 BFED C=CCN(C(=O)[C@@H](C)C(C)(C)C)C1CC1 347929039 RXGNHCLOLBTMAZ-SNVBAGLBSA-N 209.333 2.846 30 20 BFED CCN(CC#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 350079525 MUHITSFOSUZQRK-BFHYXJOUSA-N 248.370 2.965 30 20 BFED C=CCN(C(=O)CC[C@@H](C)CC)C1CC1 354458918 QMDRFYUUZAEKSU-NSHDSACASA-N 209.333 2.990 30 20 BFED C[C@H](C#N)C(=O)N[C@H](C)C(C)(C)c1ccccc1 357791162 KYISBSGBCZCZPA-VXGBXAGGSA-N 244.338 2.629 30 20 BFED C=C(CC)Cn1ccnc1[C@@H](C)OCC 358656776 QVWWGKGQLMDWAT-LLVKDONJSA-N 208.305 2.947 30 20 BFED C=CCOCCCSCc1nccs1 359110889 APEFOZVQZYQBTB-UHFFFAOYSA-N 229.370 2.969 30 20 BFED CC#CCCNC(=O)NC[C@@H]1CCC[C@H](C)C1 361340506 FISIBRNWGADDJH-QWHCGFSZSA-N 236.359 2.525 30 20 BFED N#C[C@@H]1CC[C@H](N[C@H]2CCC23CCC3)C1 379998132 KUWCNGVITVISQT-WOPDTQHZSA-N 204.317 2.601 30 20 BFED N#Cc1cncnc1Oc1ccc(F)c(Cl)c1 383746935 DFCITJGOYMWOMS-UHFFFAOYSA-N 249.632 2.933 30 20 BFED C#C[C@@](C)(CC)NC(=O)[C@H]1CCCC(F)(F)C1 384195986 JHYPIOKJRQYJBL-JQWIXIFHSA-N 243.297 2.730 30 20 BFED Cc1ccsc1CN(C)c1ccncc1C#N 399366142 BNHRTXSBBJTDQD-UHFFFAOYSA-N 243.335 2.960 30 20 BFED C[C@H](C1CCC1)N(C)C(=O)c1cscc1C#N 410662751 SDBVPQUTUDIQND-SECBINFHSA-N 248.351 2.880 30 20 BFED CC#CCCCC(=O)N1[C@@H](C)CCC1(C)C 411083372 HEEHGRBAGMGQLZ-LBPRGKRZSA-N 221.344 2.970 30 20 BFED C[C@H](CCC#N)N1CCOc2cccc(F)c2C1 411686452 DCSFMVJVPVKGFX-LLVKDONJSA-N 248.301 2.712 30 20 BFED CCOCCOc1c(C)cc(Cl)cc1C#N 421188934 LNVNCACKFQEUQN-UHFFFAOYSA-N 239.702 2.935 30 20 BFED C=CCC[C@@H](NC[C@H](N)CC)c1ccco1 423476966 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C=CC[C@@H](CC)NC(=O)N(CC)CC1CC1 466367078 PEEIUDPWGVYDQW-GFCCVEGCSA-N 224.348 2.783 30 20 BFED C=CCn1cccc1C(=O)N(C)CCCC 488560877 KSWIGFSRBICXOJ-UHFFFAOYSA-N 220.316 2.546 30 20 BFED CN(Cc1ccc(C#N)cc1)[C@@H]1CC1(C)C 489437487 MXSCXTJLMQYYKY-CYBMUJFWSA-N 214.312 2.789 30 20 BFED C#C[C@H](N[C@@H]1CCCC12CCOCC2)C(C)(C)C 491294352 BDEHPKGRKXJIJO-UONOGXRCSA-N 249.398 2.973 30 20 BFED C#C[C@@H](C)N(C)C(=O)CC1(C)CCCCC1 491452817 NNGPJTYUMMUZGJ-GFCCVEGCSA-N 221.344 2.827 30 20 BFED C#C[C@@H](CCC)NC(=O)N(C)Cc1occc1C 491453938 UQBWZZZXLLJJFV-LBPRGKRZSA-N 248.326 2.531 30 20 BFED C#C[C@@H](NC(=O)C[C@@H](C)CC)C(C)(C)C 491543564 HHHARWULLRFZDD-WDEREUQCSA-N 209.333 2.587 30 20 BFED CC#CCNC(=O)CC12CC3CC(CC(C3)C1)C2 534999617 ULTQZDMEXDMKRT-UHFFFAOYSA-N 245.366 2.732 30 20 BFED N#Cc1cc(CNC2(C3CC3)CC2)ccc1F 542522138 PWIAIBGKVVITLC-UHFFFAOYSA-N 230.286 2.730 30 20 BFED C=C(C)CN(CC)C(=O)Nc1ncccc1OC 548118761 PJLBXSQLZAGLOZ-UHFFFAOYSA-N 249.314 2.520 30 20 BFED CC#CCNc1cccc2c1OCC[C@@H]2OC 562619871 MSDHSDSCWIYHDY-ZDUSSCGKSA-N 231.295 2.592 30 20 BFED C=CCNc1cc(OC)c(Cl)c(OC)c1 580053170 DNTDWHAAUVRYDL-UHFFFAOYSA-N 227.691 2.955 30 20 BFED C=CCC(C)(C)CNC(=O)C(CC)(CC)CO 580843147 APGZJQPVZXCDFJ-UHFFFAOYSA-N 241.375 2.504 30 20 BFED CC[C@@H]1C[C@H]1NC(=O)N1CCC(CCC#N)CC1 582059641 VQLMBYTUBLJSJF-CHWSQXEVSA-N 249.358 2.510 30 20 BFED N#CCC(=O)Cc1ccc(C(F)(F)F)cc1 585163973 VZOYWZUBYNXJOH-UHFFFAOYSA-N 227.185 2.731 30 20 BFED CC(C)(CCC#N)CNC(=O)CCCCCC#N 588177960 DQFGBLSMAGRFAX-UHFFFAOYSA-N 249.358 2.907 30 20 BFED C=C[C@@H](Nc1cccc(OC(C)C)c1)C(=O)OC 591375006 OGIVUOHRTJTKQL-CYBMUJFWSA-N 249.310 2.613 30 20 BFED N#C[C@@H]1CCC[C@H](NCCCc2ccco2)C1 595093878 PCOUEXGDKHDGGT-OLZOCXBDSA-N 232.327 2.884 30 20 BFED CN(CCc1ccc(C#N)cc1)C1CCC1 595326876 MFOLCKRMIIHNMC-UHFFFAOYSA-N 214.312 2.585 30 20 BFED C[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](CC#N)C1 595497618 ONMGFAZJWCBYNG-JHJVBQTASA-N 249.358 2.510 30 20 BFED N#Cc1ccc(C(=O)NCCCC2CCC2)s1 598219497 RFDAETKGGWLFJT-UHFFFAOYSA-N 248.351 2.930 30 20 BFED CCN(CC#N)C(=O)[C@H](C)Cc1ccccc1C 599154513 AQDWNLGKURDRER-CYBMUJFWSA-N 244.338 2.546 30 20 BFED C=CCCC[C@H](C)NC(=O)c1ccc(CO)cc1 613275414 QPFAEBBHBYSMPR-LBPRGKRZSA-N 247.338 2.654 30 20 BFED C=CCCNC(=O)C[C@@H]1CCc2ccccc2C1 617615211 CJFFZSKGZXMXDJ-CYBMUJFWSA-N 243.350 2.874 30 20 BFED C=CCC1(NC(=O)[C@@H]2CC2(F)F)CCCC1 619110863 QHJXCRYYFNCIRQ-VIFPVBQESA-N 229.270 2.647 30 20 BFED C=CCC1(NCCc2cncn2C)CCCCC1 625934411 MRQLGAOVZSSLHT-UHFFFAOYSA-N 247.386 2.831 30 20 BFED C=CC(C)(C)C(=O)N1CCCC(F)(F)CC1 628630588 YLELYGPVFXOEQS-UHFFFAOYSA-N 231.286 2.846 30 20 BFED C=C(C)CN(CC)C(=O)NCc1ccc(C)o1 637691697 ILKRQYZMRKDZKD-UHFFFAOYSA-N 236.315 2.696 30 20 BFED C=CCN(C(=O)N1CCCC[C@@H]1C)C1CC1 655549584 SQNZTGGBGBRBSK-NSHDSACASA-N 222.332 2.631 30 20 BFED C=CCCNC(=O)N1C[C@H](C)CCC[C@@H]1C 661570149 BPAPYWHOZXHENQ-NEPJUHHUSA-N 224.348 2.783 30 20 BFED C=CCCOCC(=O)N1CCC[C@H](CCC)C1 675110782 VYNKGLLMCNHPTC-ZDUSSCGKSA-N 239.359 2.618 30 20 BFED CCC#C[C@H](C)N1CCCC[C@@H](COC)C1 681038472 LXWAOWNDOJELHW-UONOGXRCSA-N 223.360 2.537 30 20 BFED C=C(C)COC(=O)CSc1ccc(C#N)cc1 728677044 JJKAHERFLLRURH-UHFFFAOYSA-N 247.319 2.770 30 20 BFED C=C(Cl)COC(=O)c1ncoc1C(C)C 732386008 ADIYGUMMMAJNCY-UHFFFAOYSA-N 229.663 2.707 30 20 BFED C=CCNC(=S)N1CCC[C@H](C)[C@@H]1CCC 743012674 CCGFVJOFQXTPBN-RYUDHWBXSA-N 240.416 2.948 30 20 BFED CC(=NNC(=S)N(C)C)[C@@H](C)c1ccccc1 746371854 HNXUGXKDWHEPBH-SNVBAGLBSA-N 249.383 2.602 30 20 BFED C=CCCCC(=O)OCc1ccccc1C#N 748226544 ODGYMIMMOZFVAN-UHFFFAOYSA-N 229.279 2.958 30 20 BFED CCc1ccc(C=NO[C@@H]2CCCCO2)o1 755818178 AQPRXDGOTRBWCZ-GFCCVEGCSA-N 223.272 2.719 30 20 BFED CC(=NOCC(F)F)c1ccc(F)c(F)c1 758904865 ZZVSLZYJSNYKJM-UHFFFAOYSA-N 235.180 2.971 30 20 BFED CCCC(=O)OCc1ccc(F)c(C#N)c1 758911848 RAYDMLFFZDZTGI-UHFFFAOYSA-N 221.231 2.541 30 20 BFED C=C[C@H](CC(=O)O[C@H](C)C(C)=O)c1ccccc1 758912769 NSTXSRWRHSRRMK-CHWSQXEVSA-N 246.306 2.867 30 20 BFED CC#CCCOC(=O)C1(c2ccccc2F)CC1 760294119 DZUFLMLEUSONNW-UHFFFAOYSA-N 246.281 2.814 30 20 BFED C[C@@H](C#N)OC(=O)c1ccc2sccc2c1 761309240 YBYZPPAGSZOGTQ-QMMMGPOBSA-N 231.276 2.970 30 20 BFED C#CCCc1noc([C@H]2CCC(C)(C)C2)n1 762007383 PUPJBUMQSNRNHH-JTQLQIEISA-N 218.300 2.929 30 20 BFED C=CCCC(=O)OCc1ccc2c(c1)COC2 762160806 RVGIIEWXLHXKLL-UHFFFAOYSA-N 232.279 2.726 30 20 BFED CCCCCCC=NNc1nccnc1OC 763409249 VEEIECOXXFRAHH-UHFFFAOYSA-N 236.319 2.853 30 20 BFED C#CCCCN(Cc1ccccc1)[C@@H](CC)CO 767822934 KQGGLPMXIVFWNO-INIZCTEOSA-N 245.366 2.673 30 20 BFED C#CCN(CC)C[C@H]1C[C@@H]1c1ccccc1 769111307 MBHGGVYKMAISNX-HUUCEWRRSA-N 213.324 2.745 30 20 BFED C#C[C@H](C)N(C)Cc1ccc(Cl)cc1F 769962217 UKOFUACVFIYDQO-VIFPVBQESA-N 225.694 2.933 30 20 BFED N#Cc1c(Cl)nsc1Sc1ncco1 770169384 YKPZNJHGMSXFSH-UHFFFAOYSA-N 243.700 2.807 30 20 BFED Cc1[nH]c2ccccc2c1C(=O)OC[C@H](C)C#N 770945399 VIXDQTBDVOHLQT-SECBINFHSA-N 242.278 2.793 30 20 BFED C=C(Cl)CSCc1nnc(C)n1CCC 773289392 AUUNLEKSABPSKX-UHFFFAOYSA-N 245.779 2.982 30 20 BFED CC(C)Oc1ccc(C(=O)O[C@@H](C)C#N)cc1 773476215 HHKBWPQPKYLHPR-JTQLQIEISA-N 233.267 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207.342 2.633 30 20 BFED CC#CCCSCC1CC(OCC)C1 507118735 USSVAGODPUCZLG-UHFFFAOYSA-N 212.358 2.948 30 20 BFED CCC(C#N)(CC)c1nc(-c2ccco2)no1 528168972 QKLZPNDCWPRSRK-UHFFFAOYSA-N 231.255 2.911 30 20 BFED CC#CCN1C[C@@H](C)CN(C)c2ccccc21 533533408 UKGBGKSIAITMEP-ZDUSSCGKSA-N 228.339 2.602 30 20 BFED C=CCN(C)C(=O)Nc1cnn([C@H](C)C2CC2)c1 548655977 IXIICSQPLZMPHG-SNVBAGLBSA-N 248.330 2.504 30 20 BFED CC[C@@H](CC#N)NCCCC(C)(C)C#N 570291660 MCWFUSXCPNTPFV-NSHDSACASA-N 207.321 2.598 30 20 BFED CC1(C)CC[C@@H](Sc2cccnc2C#N)C1=O 571939862 RHGDIZNMFNPDIV-LLVKDONJSA-N 246.335 2.803 30 20 BFED COCCS[C@H](C#N)Cc1ccc(C)cc1 577491964 XQIGMZBGYZXWPU-ZDUSSCGKSA-N 235.352 2.809 30 20 BFED N#Cc1cccc(NC(=O)N2CCC[C@@H]3C[C@H]32)c1 586785957 VWSKZIZZUUJSAB-DGCLKSJQSA-N 241.294 2.574 30 20 BFED CC[C@H](C#N)C(=O)N[C@H](c1cccs1)C1CC1 593397783 ZEMZNCKLPGFWOB-SKDRFNHKSA-N 248.351 2.865 30 20 BFED CCCc1cnc(NC(=O)[C@H](C#N)CC)s1 593583810 VWMUDQJYQAACON-QMMMGPOBSA-N 237.328 2.584 30 20 BFED CC(C)[C@H]1CCC[C@H](Nc2c(C#N)cnn2C)C1 596106731 GYFJLNUMEPLRRV-AAEUAGOBSA-N 246.358 2.918 30 20 BFED CC(C)CC(C)(C)CNc1c(C#N)cnn1C 596159118 LIQBKWOMXQFIQW-UHFFFAOYSA-N 234.347 2.776 30 20 BFED CC(C)CCCSc1cc(C#N)cnn1 596183115 IQYAMJUPTZLHGN-UHFFFAOYSA-N 221.329 2.877 30 20 BFED C[C@H](CC#N)NC(=O)C1[C@@H]2CCCCCC[C@@H]12 596996938 YSWBFBGNIHVEQO-IJLUTSLNSA-N 234.343 2.621 30 20 BFED Cc1cnc(NC(=O)CC2(C#N)CCCCC2)[nH]1 597382885 IBSRUIIGQSUZIT-UHFFFAOYSA-N 246.314 2.521 30 20 BFED N#Cc1cccc(CN(C2CC2)C2CC2)c1F 599600331 QLHSZMZXUNZISE-UHFFFAOYSA-N 230.286 2.824 30 20 BFED Cc1ccc(CN(C)[C@@H](C)CC#N)c(F)c1 602460786 CHGIAIURRRILBS-NSHDSACASA-N 220.291 2.868 30 20 BFED N#CCCN(CC1CCSCC1)CC1CC1 602465241 LZAAMBMENIJENT-UHFFFAOYSA-N 238.400 2.755 30 20 BFED CC(C)(C#N)CNC/C=C\c1ccc(F)cc1 612585347 YDSVREBIDQCWFC-ARJAWSKDSA-N 232.302 2.978 30 20 BFED C=CCCOCc1nc([C@H](C)c2ccco2)no1 621798307 MXNOFKQTLKBZIP-SNVBAGLBSA-N 248.282 2.907 30 20 BFED C=CCN(C(=O)Cc1ccc(C)nc1)C(C)(C)C 622943894 VWOOJEFYDCLYRY-UHFFFAOYSA-N 246.354 2.746 30 20 BFED C=CCCn1cc(CN[C@@H]2CCC[C@@H]2CC)nn1 653640680 ZFJPUVZEIZIOCK-GXTWGEPZSA-N 248.374 2.523 30 20 BFED C=CCCCCN1[C@H]2CC[C@@H]1CN(C)CC2 653681993 NGWOBQDKKVXSQJ-UONOGXRCSA-N 222.376 2.511 30 20 BFED C=CCCNC(=O)N[C@@H]1CCc2ccccc21 661565105 JDKJZFIIUKOXIS-CYBMUJFWSA-N 230.311 2.549 30 20 BFED C=CCCNC(=O)N[C@@H]1CCC[C@H](C)CC1 661569406 OCVSPHLQWQKHLV-NWDGAFQWSA-N 224.348 2.831 30 20 BFED C=CCN(C)C(=O)N[C@H](C)c1ccsc1 669887601 RTSUACMVIJVPJL-SECBINFHSA-N 224.329 2.637 30 20 BFED C=C[C@H](C)NC(=O)N[C@H](CCC)c1ccccn1 674933844 JWYMHRSYESKHPJ-WCQYABFASA-N 247.342 2.797 30 20 BFED C=CCCCCNC(=O)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 681188264 BMNFVUZSRDVIRU-CYDGBPFRSA-N 248.370 2.686 30 20 BFED C=CCCCCCN1CCN(CC)[C@H](C)C1 683784455 YNNRFLAQBQWDSD-CQSZACIVSA-N 224.392 2.759 30 20 BFED N#Cc1cc(Cl)nc(N[C@H]2C=CCC2)c1 700544574 ULDZGRVNTVHVDA-VIFPVBQESA-N 219.675 2.737 30 20 BFED C=CCCC(=O)OCC(=O)c1ccccc1C 726650381 NXQZFBCFUKDXOC-UHFFFAOYSA-N 232.279 2.687 30 20 BFED CC(C)CC[C@@H]1CCCC1=NN1CCOCC1 727250838 XWZFSNGBNPVSDX-ZDUSSCGKSA-N 238.375 2.911 30 20 BFED CCC/C=C\C(=O)Nc1cc(C#N)ccc1OC 729352428 PXPUIKZRIZOKHT-WAYWQWQTSA-N 244.294 2.862 30 20 BFED C=C(C)COC(=O)c1ccc2[nH]ccc2c1 730855375 JCVRTOVGBAHNDA-UHFFFAOYSA-N 215.252 2.901 30 20 BFED C=CCCC(=O)OCc1ncc(C(C)C)o1 733479658 WJKCQHUBPHTTPT-UHFFFAOYSA-N 223.272 2.807 30 20 BFED CC[C@@H](Nc1ccccc1)C(=O)OCCCC#N 733502975 CROYLQKDWXHYEB-CYBMUJFWSA-N 246.310 2.724 30 20 BFED CCC(CC)NN=Cc1cccc(OC)c1O 734365216 UONLSHLXCLMVEE-UHFFFAOYSA-N 236.315 2.513 30 20 BFED O=[N+]([O-])c1cccc(F)c1CON=C1CCC1 735490425 XDAOASICXHHQGW-UHFFFAOYSA-N 238.218 2.790 30 20 BFED C#CCN1CCC[C@@H](Cc2ccc(OC)cc2)C1 741798210 CTPXJDFLZMGFLU-HNNXBMFYSA-N 243.350 2.583 30 20 BFED C=C(Cl)CNC(=O)N[C@H](C)C[C@@H](C)CC 743621043 WFLFOMIUXHMNQP-WCBMZHEXSA-N 232.755 2.863 30 20 BFED CC[C@](C)(C#N)NC(=O)/C=C(\C)c1ccccc1 749612153 JPFDXUSWRIPSRZ-HBIYDYFMSA-N 242.322 2.898 30 20 BFED Cc1ccc(C)c(NN=Cc2[nH]cnc2C)c1 755563474 DJJHKUHFJHVPPI-UHFFFAOYSA-N 228.299 2.781 30 20 BFED Clc1ccc(C=NNC2CCOCC2)s1 757592351 XHOVSCXAAJQJSB-UHFFFAOYSA-N 244.747 2.504 30 20 BFED C[C@@H]1C[C@@H]1C=NN=c1cc[nH]c2ccccc12 758370573 OPBLUAGEEIWINS-GHMZBOCLSA-N 225.295 2.710 30 20 BFED COc1cccc(/C=N\C2CC=CC2)c1O 759645373 ZZORRJZZGSLIKC-ZROIWOOFSA-N 217.268 2.538 30 20 BFED C=C(Cl)COC(=O)C1(CCOC)CCCC1 761444828 YUNLOKMORYIXBH-UHFFFAOYSA-N 246.734 2.879 30 20 BFED C#CCN(Cc1cccc(OCC=C)c1)C1CC1 764680894 CMJQTTKMJBXNTF-UHFFFAOYSA-N 241.334 2.849 30 20 BFED CC[C@@H]1CC(=NOCC(F)(F)F)CCO1 764836177 QWQRWTTZIMXMJU-MRVPVSSYSA-N 225.210 2.510 30 20 BFED CCON=C(C)Cc1ccc(OC)c(OC)c1 767462808 QLVMQHWYXHXDOE-UHFFFAOYSA-N 237.299 2.659 30 20 BFED CCOCCON=C1c2ccccc2C[C@H]1C 774432060 IVFGAJBFCDGYKM-LLVKDONJSA-N 233.311 2.636 30 20 BFED C=CCN(C[C@H]1CCC(C)(C)O1)C(C)C 775572458 RXDGSTDJLIXZHB-GFCCVEGCSA-N 211.349 2.840 30 20 BFED C=CCCC[C@H](C)NC(=O)COC1(C)CCC1 775922500 AFDZSRJMVSULGD-LBPRGKRZSA-N 239.359 2.807 30 20 BFED C#Cc1cccc(N(CC)CC2(C#N)CC2)c1 775981536 FGKZRMODQOCQIW-UHFFFAOYSA-N 224.307 2.798 30 20 BFED C=CCN(C)c1nc2ccc([N+](=O)[O-])cc2s1 777788397 YMABWVJAVHONOO-UHFFFAOYSA-N 249.295 2.827 30 20 BFED COC[C@H](C)NN=C1CCC[C@H](C2CC2)C1 777903277 RCVPBFABLRCWEH-JQWIXIFHSA-N 224.348 2.567 30 20 BFED C=C(C)CNC(=S)N1CCC[C@@H](C(C)C)C1 780229662 KJLRIIWCPZOUPK-GFCCVEGCSA-N 240.416 2.805 30 20 BFED C#CCCCCCC(=O)NCc1cccc(O)c1 780393309 XPTNGAQRTFADOQ-UHFFFAOYSA-N 245.322 2.592 30 20 BFED Cc1cc(C(=O)OCCC(C)(C)C#N)co1 781379899 JSUQWNMHKNDQJF-UHFFFAOYSA-N 221.256 2.685 30 20 BFED C=C[C@](C)(CCOC)C(=O)OCCC(=C)C 783097326 HCWMYOJCPDRESR-CYBMUJFWSA-N 226.316 2.725 30 20 BFED C=CCCC(=O)OC[C@@H]1CCC2(CCCC2)O1 783375268 PZKZRPMDBYSSFE-LBPRGKRZSA-N 238.327 2.988 30 20 BFED C#C[C@@H](C)NC(=O)NCC[C@@H](C)CC(C)(C)C 785585808 RBSARMIZVSGDOL-VXGBXAGGSA-N 238.375 2.770 30 20 BFED CC(C)C(=NNCCc1ccncc1)C1CC1 789092983 APOSDPTZUSJQJB-UHFFFAOYSA-N 231.343 2.636 30 20 BFED C#C[C@H](CCC)NC(=O)Nc1cc(C)cc(C)n1 794747385 AFQUGBKJYLGYGR-GFCCVEGCSA-N 245.326 2.622 30 20 BFED COCCCON=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 795049154 YOGPMFAMXXKHOJ-NDBYEHHHSA-N 237.343 2.852 30 20 BFED C#C[C@@H](NC(=O)N[C@@H](C)CCC(C)C)C(C)C 798509888 DMQIUJZWAXXNLY-QWHCGFSZSA-N 238.375 2.768 30 20 BFED COc1ccccc1CON=C[C@H]1C[C@H]1C 799117137 FRMAQXXBWUSQBG-ZYHUDNBSSA-N 219.284 2.854 30 20 BFED C=C(C)COC(=O)[C@H]1CCCC(F)(F)C1 800283915 XNTUBZSFESPELW-VIFPVBQESA-N 218.243 2.931 30 20 BFED C=CCCCCCCNC(=O)[C@@H]1CCCCO1 805219365 HTKLVVMLEGBUHD-ZDUSSCGKSA-N 239.359 2.808 30 20 BFED Cc1cc(C)cc(C(=O)/C=C/c2cnccn2)c1 809153661 BARQSVQZTURKML-ONEGZZNKSA-N 238.290 2.990 30 20 BFED C=CCCCCOC(=O)c1cccc(OC)n1 811008996 ONDYTKQEPDFCBM-UHFFFAOYSA-N 235.283 2.603 30 20 BFED C=CCCCCOC(=O)[C@H]1CC[C@@H](CC)O1 811011514 ZZSSJSIXWFZIQM-VXGBXAGGSA-N 226.316 2.844 30 20 BFED FC(F)CNN=C1CCCc2sccc21 814854303 IIUCEUFHQQQDQM-UHFFFAOYSA-N 230.283 2.643 30 20 BFED CCCCCC[C@@H]1CCCC1=NNCC(=O)O 814959268 XRINDTDSYDXZSX-LLVKDONJSA-N 240.347 2.787 30 20 BFED C=CCCCOC(=O)c1ncoc1C1CC1 815324479 SZABYWRFXOZENT-UHFFFAOYSA-N 221.256 2.675 30 20 BFED C#Cc1cnc(N2CCc3ccccc3[C@@H]2C)nc1 819918935 DBSWXJSJWSEBFH-LBPRGKRZSA-N 249.317 2.582 30 20 BFED CC[C@@H](C)CONc1c(C#N)cccc1[N+](=O)[O-] 819930075 GWPBHVBOBSKBPZ-SECBINFHSA-N 249.270 2.856 30 20 BFED C[C@H]1CCCC[C@@H]1C(=O)OCCCC#N 820475287 MQROJRQGTUPGPQ-QWRGUYRKSA-N 209.289 2.660 30 20 BFED CCCCCCCCNC(=O)c1[nH]cnc1C 821306409 IUSBLDWNOSREFD-UHFFFAOYSA-N 237.347 2.808 30 20 BFED C=C(C)C(C)(C)C(=O)OCC[C@@H]1CCCC1=O 821448680 XZBUFYBIKOGKJT-NSHDSACASA-N 238.327 2.891 30 20 BFED C#CC1CCN(c2ccsc2[N+](=O)[O-])CC1 826720870 PWOQGLILHCPBLI-UHFFFAOYSA-N 236.296 2.506 30 20 BFED C=C(C)CCNc1nc2ccccn2c1[N+](=O)[O-] 828779049 NEGGQXREDCMSOK-UHFFFAOYSA-N 246.270 2.621 30 20 BFED c1ccc2c(c1)CCC(=NNC1CC1)CC2 834968030 ABYUKZAKYBVCPW-UHFFFAOYSA-N 214.312 2.673 30 20 BFED CC[C@@H](C#N)OC(=O)[C@H]1CCCCC1(F)F 835211687 MFQRWARXIGEYFG-DTWKUNHWSA-N 231.242 2.657 30 20 BFED C#C[C@@H](C)NC(=O)N[C@H](CCC)C(C)(C)C 836406134 HTAQWGAEIQIXKW-GHMZBOCLSA-N 224.348 2.522 30 20 BFED C[C@@H]1C[C@@H](C)CN(C(=O)C#CC(C)(C)C)C1 837307235 HFWIBOTYKQTHMR-VXGBXAGGSA-N 221.344 2.540 30 20 BFED C=CCC1(C(=O)OCc2cc[nH]n2)CCCC1 838277534 AJUIVTHIMZNNNU-UHFFFAOYSA-N 234.299 2.589 30 20 BFED CC(C)(C)C#CC(=O)OCc1ccccc1 838377489 OTCYTNYZJQYVBA-UHFFFAOYSA-N 216.280 2.779 30 20 BFED C#CCC[C@@H](C)OC(=O)c1ccc(F)cc1 839031536 GOMFYPNVIVHUDG-SNVBAGLBSA-N 220.243 2.784 30 20 BFED C=CCCC(=O)Oc1ccccc1COC 839121533 VSNXAHCBRYCGLU-UHFFFAOYSA-N 220.268 2.705 30 20 BFED C=C(Cl)CN1CCSC[C@H]1C1CC1 839615510 VMHGCWGACFHSRO-JTQLQIEISA-N 217.765 2.566 30 20 BFED C#CCCCCNC(=O)N1CC[C@H](C2CCC2)C1 840324061 LYABNAPWCPIHHJ-AWEZNQCLSA-N 248.370 2.622 30 20 BFED C[C@@H](NN=C1COC(C)(C)C1)c1ccccc1 841621117 SHFMIXWYPUFBKG-LLVKDONJSA-N 232.327 2.892 30 20 BFED CCn1cncc1C=NN[C@@H]1CCCCC1(C)C 841635164 GJPTXJRHTYBVLE-CYBMUJFWSA-N 248.374 2.795 30 20 BFED C[C@@H](NN=Cc1cnc(C2CC2)nc1)C(C)(C)C 841642122 HAZPYVHPGCKKTG-SNVBAGLBSA-N 246.358 2.712 30 20 BFED CCCCCCCCCNC(=O)[C@H]1C[C@@H](N)C1 843370264 KULWEPWMISXFPT-BETUJISGSA-N 240.391 2.591 30 20 BFED COc1cc(OC)c(C=NOC(C)C)cc1F 844601626 SYEHNJYJDDXQPO-UHFFFAOYSA-N 241.262 2.602 30 20 BFED C=C[C@H](C)ON=C(C)c1scnc1C 844624841 NXLANYFURJALPO-ZETCQYMHSA-N 210.302 2.767 30 20 BFED C=C[C@H](C)ONC(=O)[C@@H](CC)Cc1ccccc1 846544154 DXYGPOLPQKMWHN-JSGCOSHPSA-N 247.338 2.878 30 20 BFED C#Cc1ccc(C=NN2CCCC[C@@H]2C)cc1 853379894 NAPQMCZIEGJAJK-ZDUSSCGKSA-N 226.323 2.876 30 20 BFED C(=NOCC1CCC1)[C@H]1CCCSC1 853440925 KTBROVVFGZTSTE-LLVKDONJSA-N 213.346 2.932 30 20 BFED CCCCCCCNC(=O)NCCCF 858110383 AXDBDVRUWIWINF-UHFFFAOYSA-N 218.316 2.616 30 20 BFED C[C@@H](CC#N)OC(=O)C[C@@H](C)c1ccco1 860545066 MAPCZIYDHXFSMO-ZJUUUORDSA-N 221.256 2.619 30 20 BFED CCCCCCCNC(=O)[C@](C)(O)C1CCC1 862355702 NNBYTAYYDBRREC-CQSZACIVSA-N 241.375 2.624 30 20 BFED CCc1nc(C)cn1Cc1ccc(F)cc1C#N 865392335 BGDJXZLZSMWEHB-UHFFFAOYSA-N 243.285 2.813 30 20 BFED C=CCC[C@H](C)NCC[C@@H](O)C1CCCC1 866636730 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20 BFED C=C1CCN(C(=O)N[C@H]2CCCC2(C)C)CC1 893477824 AUALXFJIJJAOTK-LBPRGKRZSA-N 236.359 2.927 30 20 BFED C=C1CC(c2noc(-c3cncs3)n2)C1 896873963 HKUFTMOOJMNALP-UHFFFAOYSA-N 219.269 2.627 30 20 BFED C=C1CN(C(=O)[C@@H](C)c2cccc(Cl)c2)C1 898696857 KSYYBSUGVRCWSX-JTQLQIEISA-N 235.714 2.842 30 20 BFED CCC(=CC(=O)Nc1ncc(C#N)s1)CC 903938952 JAEHNEUUSWAYPV-UHFFFAOYSA-N 235.312 2.700 30 20 BFED C=CCCc1noc([C@H]2CNc3ccccc32)n1 904735534 VKJKKQCVIRHFOD-NSHDSACASA-N 241.294 2.746 30 20 BFED C=CCCC[C@H](N)C(=O)Nc1ccc(CC)cc1 911939442 WXGKRHFVJGXSQX-AWEZNQCLSA-N 246.354 2.871 30 20 BFED C[C@@H](C#N)OC(=O)c1[nH]c2ccccc2c1Cl 915431765 DRULLEKDSYXXPE-ZETCQYMHSA-N 248.669 2.890 30 20 BFED C=CCCOC(=O)/C=C/c1ccsc1 919667966 MUXHSSUCMJJMPQ-SNAWJCMRSA-N 208.282 2.881 30 20 BFED C=CCCOCCNC1[C@H](C)CC[C@H]1C 925631802 KSXQJNNBBUZILM-VXGBXAGGSA-N 211.349 2.603 30 20 BFED C=CCN(C(=O)c1cnn(C2CCC2)c1)C(C)C 931924913 JOBGHSRPUZNWNL-UHFFFAOYSA-N 247.342 2.645 30 20 BFED C=C[C@H](CC)CC(=O)N[C@@H](CCCC)COC 933173219 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2.559 30 20 BFED C=C(C)CN=[S@](=O)(c1ccccc1)N(C)C 853722589 DQEIOHURCIMQJO-MRXNPFEDSA-N 238.356 2.566 30 20 BFED CC(C)C#CC(=O)NC[C@@H]1CCCC1(C)C 854670117 YNBFVNCLXGKASK-LBPRGKRZSA-N 221.344 2.588 30 20 BFED C=CCC(F)(F)C(=O)N1C[C@@H]2CCCC[C@@H]21 855061438 KCUCJCAXXGZCDR-UWVGGRQHSA-N 229.270 2.599 30 20 BFED C[C@@H](C#N)N(C(=O)/C=C\c1ccsc1)C1CC1 855584156 OYIVPPKFJUSWFL-ODTOEKCJSA-N 246.335 2.664 30 20 BFED C#CCCOC(=O)NCc1ccccc1Cl 858876084 PYFDRXUHZLJITR-UHFFFAOYSA-N 237.686 2.590 30 20 BFED C#Cc1ccc(CN(C)CC(O)(CC)CC)cc1 862539490 NLFZEQAMBCAPKB-UHFFFAOYSA-N 245.366 2.651 30 20 BFED CC(C)(C)CCNN=Cc1cccc2[nH]ncc12 863106689 LRVKVAANUISMQR-UHFFFAOYSA-N 244.342 2.923 30 20 BFED Cc1ccc([C@H](C)C=NN2CCOC2=O)cc1 863161488 OCQBRKWPVYFDBS-LLVKDONJSA-N 232.283 2.537 30 20 BFED C=C(C)C[C@H](NCc1ccc(C)cc1C)C(=O)O 864530773 MMIRRNQJSPXXLW-AWEZNQCLSA-N 247.338 2.812 30 20 BFED C#CCNC(=O)[C@@H](C)SC[C@H](C)C(C)(C)C 865288512 ZZHOBJUZSUIFMR-WDEREUQCSA-N 241.400 2.540 30 20 BFED 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C=C[C@H](C(=O)N(C)[C@H](C)CC#N)c1ccccc1 1346410129 IZMMPAHIAKVMIN-OCCSQVGLSA-N 242.322 2.717 30 20 BFED C#CC[C@H](CCOC)NC[C@@H]1CCCC[C@H]1C 1348110782 NTDQQNBELZQWGT-QLFBSQMISA-N 237.387 2.831 30 20 BFED C=C[C@](C)(CCOC)COC(=O)[C@@H](F)CC 1348139521 MSEWALIGABKRKW-CMPLNLGQSA-N 232.295 2.507 30 20 BFED C#Cc1ccc(N[C@@H](C)CN(C)CCCC)nc1 1348184834 YRBRHSAEVYLSJR-ZDUSSCGKSA-N 245.370 2.595 30 20 BFED C=C(CC)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 1518762774 XJGJDSNWMRWTAD-GRYCIOLGSA-N 209.333 2.894 30 20 BFED C=C[C@H](CC)OC(=O)c1ccnn1[C@H](C)CC 1525129444 WRYMOBFMLQDNSN-GHMZBOCLSA-N 236.315 2.976 30 20 BFED C=CC[C@@H]1CC[C@H](N[C@H]2CC[C@@H](C(=O)O)C2)C1 1588457499 CLRSXAYDBCHCQH-NDBYEHHHSA-N 237.343 2.574 30 20 BFED C=CCN(CCCC1(C)CC1)CCC(=O)O 1776178909 RWLAVSPBVRNSMF-UHFFFAOYSA-N 225.332 2.529 30 20 BFED C[C@@H]1CCCCN1CCOc1ccccc1C#N 34673870 OLQFGJKPFAFLIZ-CYBMUJFWSA-N 244.338 2.811 30 20 BFED CC1CCN([C@@H](C#N)c2ccccc2)CC1 39859812 RPKDYXBIQIDRTA-AWEZNQCLSA-N 214.312 2.983 30 20 BFED CCN(CCC#N)c1ccc(C(F)(F)F)cn1 42454638 PLKPJRVMAOGMJB-UHFFFAOYSA-N 243.232 2.840 30 20 BFED CC(C)N(CCC#N)Cc1cccs1 42518278 QOPMICWNTDYYRR-UHFFFAOYSA-N 208.330 2.872 30 20 BFED CC[C@H](CC#N)NC(=O)CC1CCCCC1 54177255 OHPMVVYLAHPVPG-GFCCVEGCSA-N 222.332 2.765 30 20 BFED C=C(Cl)COc1ccccc1[N+](=O)[O-] 58857691 HHNLGWZCDBFESD-UHFFFAOYSA-N 213.620 2.726 30 20 BFED C=C(C)COC(=O)c1cccc(CC)c1O 61723435 UUTXNHXSMNGOOP-UHFFFAOYSA-N 220.268 2.688 30 20 BFED C=CCCOc1cc(/C=C/C(=O)O)ccc1OC 71275875 AYVFPACKSVZDDU-SOFGYWHQSA-N 248.278 2.748 30 20 BFED Cc1ccc(CN(C)c2ccc(C#N)cn2)s1 76290774 RLGPAPNBGXSFJP-UHFFFAOYSA-N 243.335 2.960 30 20 BFED Cc1cc(F)ccc1NC(=O)C1(C#N)CCC1 83794961 JTXAHOZXPUEIOV-UHFFFAOYSA-N 232.258 2.767 30 20 BFED C=CCN(CC=C)c1ccc([N+](=O)[O-])cc1C#N 95081763 KCPSDQQLUDRORA-UHFFFAOYSA-N 243.266 2.645 30 20 BFED CN(CC#N)C(=O)c1occc1-c1ccccc1 101515432 MMILPEUTKNAYSI-UHFFFAOYSA-N 240.262 2.542 30 20 BFED C[C@@H]1C[C@H]1NCc1cccc(OCCCC#N)c1 105437172 KQPLKZVIMZHDKO-IUODEOHRSA-N 244.338 2.867 30 20 BFED C=CCNC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 115641897 UVJJNILQGWBPQU-GXTWGEPZSA-N 244.338 2.760 30 20 BFED C=CC[C@@H](C)NCc1ccccc1[N+](=O)[O-] 116927508 VCYAFQKGXBDNTQ-SNVBAGLBSA-N 220.272 2.649 30 20 BFED C[C@@H](CC#N)NC(=O)c1cc2cc(F)ccc2o1 117773083 CYUOFTAMQPSDTE-QMMMGPOBSA-N 246.241 2.604 30 20 BFED C=CC1CCN(C(=O)C[C@@H](C)SC)CC1 120278989 BUECENJWUXBWMF-SNVBAGLBSA-N 227.373 2.553 30 20 BFED CC[C@H]1CCCCN1c1ccc(C#N)nc1 123998694 WLGPQIHZKFCCSY-LBPRGKRZSA-N 215.300 2.722 30 20 BFED C=C(C)CN(C)[C@@H](C(=O)OC)c1ccccc1C 125579168 USBLDWHNKLDOFN-CQSZACIVSA-N 247.338 2.717 30 20 BFED N#Cc1cccc(C(=O)OCC2CCCC2)c1 126809957 CWKQCIJQMPOSPR-UHFFFAOYSA-N 229.279 2.905 30 20 BFED CC(C)CN(C(=O)c1sccc1C#N)C1CC1 128054198 XCPFSNAVKLJMMD-UHFFFAOYSA-N 248.351 2.880 30 20 BFED CCc1ccc(/C=C/C(=O)N[C@H](CC)CC#N)o1 129760533 WPWNLCWHGGETRA-WSKFYRRCSA-N 246.310 2.664 30 20 BFED CSCC[C@H](C)Nc1cc(C#N)ccn1 130725074 ILAFVXWRPRPODN-VIFPVBQESA-N 221.329 2.507 30 20 BFED Cc1ccc(C#N)cc1OCCOC(C)C 131461976 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30 20 BFED C=CCC[C@@H](O)CN1C[C@H](C)[C@H]2CCCC[C@@H]21 182482018 QBZAHUSXNDBGRM-YJNKXOJESA-N 237.387 2.824 30 20 BFED C=C(C)CN[C@H](C)[C@H]1COc2ccccc21 185578271 DXTFPEKSDLAPOT-DGCLKSJQSA-N 217.312 2.717 30 20 BFED CC#CCCCC(=O)N[C@H](C)CC(C)C 185924795 RRKCJFWUYVRPLS-GFCCVEGCSA-N 209.333 2.731 30 20 BFED C=CCOc1ccc(COC(=O)C(F)F)cc1 193707553 JVLVVALXWYWSGV-UHFFFAOYSA-N 242.221 2.560 30 20 BFED CC(C)(C#N)OC(=O)Cc1c[nH]c2ccccc12 194450556 FIOMUPHCUAGHPX-UHFFFAOYSA-N 242.278 2.556 30 20 BFED C#CCCCNC(=O)Nc1c(C)cccc1OC 194984991 HBQPKCDTPWFMIQ-UHFFFAOYSA-N 246.310 2.539 30 20 BFED C#CCCCCNC[C@@H]1CCOc2ccccc21 228692348 YMORNXJKLJPTOX-AWEZNQCLSA-N 243.350 2.946 30 20 BFED CO[C@H](C)[C@H](C)Nc1ccc(CC#N)cc1 229376927 GJCNTHUCZZMXFM-WDEREUQCSA-N 218.300 2.588 30 20 BFED CC(C)(C#N)CN[C@H]1CCCc2ccc(O)cc21 232515120 CMOXJAHOWHRICR-AWEZNQCLSA-N 244.338 2.909 30 20 BFED C=CC[C@H](C)[C@@H](C)NC[C@H]1CCCOC1 246873300 DNUWVIVRWAXKAC-YNEHKIRRSA-N 211.349 2.603 30 20 BFED 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OYVFZRIYKKBUOV-ZDUSSCGKSA-N 249.745 2.861 30 20 BFED COc1cccc(NN=C(C)c2coc(C)n2)c1 788981142 QCKQAWGSGMZFFP-UHFFFAOYSA-N 245.282 2.828 30 20 BFED CC[C@H](NN=C/C(C)=C\c1ccccc1)C(=O)O 793071876 JAJRQQFUXFTJOJ-DOVHSWJESA-N 246.310 2.529 30 20 BFED COC(=O)c1cc(NN=C[C@@H]2C[C@H]2C)ccc1C 793096934 GBWCCMJALNNGCQ-MNOVXSKESA-N 246.310 2.835 30 20 BFED CSC1(C=NNc2ncccc2F)CC1 794980195 GWSOSYPRYSENAJ-UHFFFAOYSA-N 225.292 2.514 30 20 BFED C[C@@H](C#N)OC(=O)c1cccc(C(F)(F)F)c1 798119953 SFBLSMUODWNOQO-ZETCQYMHSA-N 243.184 2.774 30 20 BFED C#Cc1cc(F)c(NCc2cc(C)on2)c(F)c1 802745933 VMQUUOQNZAQOGO-UHFFFAOYSA-N 248.232 2.855 30 20 BFED CC(C)(O)c1ccc(C=NOCC(F)F)cc1 807985354 FWSHPBKRBIKIPO-UHFFFAOYSA-N 243.253 2.530 30 20 BFED C#CCOc1ccc(CN[C@H]2CCC2(C)C)cc1 808421644 OXDZVPCWTVSHST-HNNXBMFYSA-N 243.350 2.977 30 20 BFED C=CCCCCOC(=O)c1cccc(C)n1 811011029 LJGFATLTKSRNIS-UHFFFAOYSA-N 219.284 2.903 30 20 BFED CC[C@H](O)CNN=C1C[C@H](C)CC[C@H]1CC 811656439 MKGOJLSITNFTCB-UTUOFQBUSA-N 226.364 2.549 30 20 BFED CC(=NOC/C=C/Cl)c1ccc(O)cc1O 811670644 XTJGCXDFWTXEDW-VHDODGMTSA-N 241.674 2.591 30 20 BFED COc1ccc(C=NOCC2CC2)cc1C 814243938 VAMYMAZBWDYKEL-UHFFFAOYSA-N 219.284 2.764 30 20 BFED CCCNN=C(COC)c1cccc(Cl)c1 814804543 UIVMHVXXRZREAO-UHFFFAOYSA-N 240.734 2.690 30 20 BFED C[C@@H]1SCCC1=NNc1ccc2[nH]ncc2c1 814900564 YSVITKYBJMOLJW-QMMMGPOBSA-N 246.339 2.856 30 20 BFED C1COC[C@H](NN=C2CCCC23CCCC3)C1 814908331 NQYRFUGIDQAZHL-GFCCVEGCSA-N 236.359 2.855 30 20 BFED C=CCC(F)(F)C(=O)N[C@](C)(C#N)CC(C)C 815174636 JPFWUPMCUSNJOO-NSHDSACASA-N 244.285 2.642 30 20 BFED C#C[C@H](C)NCc1cc2c(C)cccc2[nH]1 825878913 WSTMBZBXDNWUJD-NSHDSACASA-N 212.296 2.588 30 20 BFED C#CCCCc1nc([C@H](CCC)OC)no1 834778523 CEOYIETZQMFHLP-JTQLQIEISA-N 222.288 2.513 30 20 BFED C#CCCCc1nc([C@@H]2CCOC(C)(C)C2)no1 834886953 GGNCWPBCCNZWRU-LLVKDONJSA-N 248.326 2.698 30 20 BFED CCn1ccnc1C(C)=NOC1CCCCC1 834971879 IJYKSZWVCZLHJE-UHFFFAOYSA-N 235.331 2.976 30 20 BFED CC(C)C(=NN[C@@H](C)C(F)(F)F)C1CC1 835002565 TWLJKXPVRIILFG-ZETCQYMHSA-N 222.254 2.949 30 20 BFED C[C@@H]1CCC[C@@H](OC(=O)c2ccc(C#N)n2C)C1 835097447 CNXJCNQGIURNGZ-ZYHUDNBSSA-N 246.310 2.632 30 20 BFED Cc1[nH]c(C#N)cc1C(=O)O[C@@H]1C[C@H]2CC[C@H]1C2 835100419 RLJRFCCLUYPUGQ-OUJBWJOFSA-N 244.294 2.540 30 20 BFED C[C@@H](CC#N)OC(=O)[C@]1(C)CC=CCC1 835158698 JPMMKGCQTSTCQV-CMPLNLGQSA-N 207.273 2.578 30 20 BFED C[C@@H]1CC[C@H](C(=O)O[C@H](C#N)C2CC2)C[C@H]1C 835195386 RAHMKFTVJRXCCO-VCDKRKBESA-N 235.327 2.904 30 20 BFED Cn1c(C#N)ccc1C(=O)O[C@H]1CCCC1(C)C 835392205 MRZWNXPTADHWOR-LBPRGKRZSA-N 246.310 2.632 30 20 BFED C=CC(C)(C)C(=O)OC[C@H](OC)[C@H](C)CC 835624431 UPFODPLZNNTHBP-MNOVXSKESA-N 228.332 2.803 30 20 BFED C#CCCCCCC(=O)O[C@@H]1CCOC[C@H]1C 835776786 VXQLZUQOFIPNPV-CHWSQXEVSA-N 238.327 2.538 30 20 BFED C#Cc1cncc(C(=O)N[C@H](C)CC(C)(C)C)c1 837229532 BLGZLGUIOMROGI-LLVKDONJSA-N 244.338 2.617 30 20 BFED CC[C@@H](C)[C@@H](C)N(C(=O)C#CC1CC1)C1CC1 837397665 KBYAPYBMYVBXJM-VXGBXAGGSA-N 233.355 2.825 30 20 BFED C#CCC[C@H](C)OC(=O)/C=C/c1ccco1 839032957 WGQSKADWALHGOJ-FBOQAHMBSA-N 218.252 2.638 30 20 BFED C#CCC[C@H](C)OC(=O)CCc1cncc(C)c1 839042603 XURGPZYLPPWAMC-ZDUSSCGKSA-N 245.322 2.668 30 20 BFED C=CC(C)(C)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839062144 LAZSANRQMYWPOH-WDEREUQCSA-N 221.300 2.824 30 20 BFED C#CCOc1cccc(OC[C@@H](CC)OC)c1 842027678 GMJVGJMDWNYCFZ-GFCCVEGCSA-N 234.295 2.502 30 20 BFED C=C[C@@](C)(CC)C(=O)OCCOCC1CCC1 842093596 PZAILVGXCBVLQJ-AWEZNQCLSA-N 240.343 2.949 30 20 BFED C#C[C@@H](C)OC(=O)c1ccc2c(c1)CC(C)(C)O2 842726568 JNWBVAJZAICPSZ-SNVBAGLBSA-N 244.290 2.579 30 20 BFED C=C(C)CON=Cc1cc(C(=O)O)c(C)cc1C 844619449 FAGGLFPBIUZLLG-UHFFFAOYSA-N 247.294 2.928 30 20 BFED CC#CCCOC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 845223861 HRPZNYAEPJXUOA-FRRDWIJNSA-N 218.296 2.545 30 20 BFED C=C[C@@H](C)ONC(=O)C(C1CCC1)C1CCC1 846553062 WNXHLFAZTOHTBP-SNVBAGLBSA-N 237.343 2.825 30 20 BFED CC#CCOC(=O)c1cc(Cl)nc(C2CC2)c1 847674918 ZWDZINAXFYLQAI-UHFFFAOYSA-N 249.697 2.793 30 20 BFED C#CCOCCOc1ccc(Cl)c(F)c1F 853022048 YBYLSLQFHOQADG-UHFFFAOYSA-N 246.640 2.647 30 20 BFED CC(CC(C)(C)C#N)=NN=C(C)c1cnccn1 853315268 QJOVZSTZEVZMJV-UHFFFAOYSA-N 243.314 2.601 30 20 BFED CC(CC(C)(C)C#N)=NNCCc1ccncc1 853343141 XPCPYOYDHVJOPK-UHFFFAOYSA-N 244.342 2.529 30 20 BFED C#CCCCOc1cccnc1N1CCC[C@@H]1C 853394351 MRTZFBYHJQZZMF-ZDUSSCGKSA-N 244.338 2.863 30 20 BFED C=CCOCCSCc1cc(C)nc(C)n1 853773909 FLKFKSWWACMHRQ-UHFFFAOYSA-N 238.356 2.529 30 20 BFED C=C(Cl)CSCC(=O)N[C@H](C)C(C)C 853782735 LHAVAIMJHXZICV-SECBINFHSA-N 235.780 2.633 30 20 BFED C=CCCONC(=O)C[C@H]1CCC[C@@H](C)C1 856031219 IFXQTARIVTWTCW-NEPJUHHUSA-N 225.332 2.827 30 20 BFED C=C(Cl)CN1CCOc2cc(F)ccc2C1 860170343 SBOJESXBGUNVDI-UHFFFAOYSA-N 241.693 2.773 30 20 BFED C=C[C@@](C)(CC)COC(=O)[C@@H](OCC)C1CC1 860692095 YDHCJRDEPLVAMW-JSGCOSHPSA-N 240.343 2.947 30 20 BFED C#CC[C@@H](CCOC)NC[C@@H](C)CC(C)C 862548302 CBWWPUQAAXDPRT-KBPBESRZSA-N 225.376 2.687 30 20 BFED Fc1cc(Cl)cc(C=NN2CCC2)c1 872397737 RKUBIVDLHBGLEA-UHFFFAOYSA-N 212.655 2.519 30 20 BFED C=CC(C)(C)CC(=O)NC[C@@H]1CCCCS1 879447770 SIGUOCDVVQXHQL-NSHDSACASA-N 241.400 2.991 30 20 BFED N#CC1(CCN2C[C@@H]3C[C@H]3C2)CCCCC1 886347909 BTOIFNLSXZNZCF-STQMWFEESA-N 218.344 2.802 30 20 BFED C=C[C@@](C)(O)Cc1nc(C2CCCCC2)no1 895972561 ZFSABKOEPFWLEN-CYBMUJFWSA-N 236.315 2.597 30 20 BFED C#Cc1ccc(NCC[C@@H]2CCOC2)cc1 898498469 JTLXYYCIGMXPNO-CYBMUJFWSA-N 215.296 2.506 30 20 BFED C=C1CN(C(=O)Cc2ccc3c(c2)CCCC3)C1 898691354 SDCPBXNZTICWMP-UHFFFAOYSA-N 241.334 2.506 30 20 BFED C/C(=C(\F)C(=O)N[C@@H](C#N)CC(C)C)C1CC1 900508818 HJBORGIMJPMDFV-LWMMSDEHSA-N 238.306 2.694 30 20 BFED CC(C)c1ncc(/C=C/C(=O)c2cnc[nH]2)s1 901540992 QPATWPBOGSCKKJ-ONEGZZNKSA-N 247.323 2.886 30 20 BFED Cc1ccc(C(=O)OCCCCC#N)s1 914618250 ZRBOTEGBWVRQES-UHFFFAOYSA-N 223.297 2.907 30 20 BFED CC#CCOC(=O)[C@@H](C)c1ccccc1C 923915108 YXXHSBICNQOVQV-LBPRGKRZSA-N 216.280 2.665 30 20 BFED C[C@H](CC(C)(C)C#N)NCc1nccs1 924731789 ZWRKQIOXINVZIZ-SECBINFHSA-N 223.345 2.561 30 20 BFED Cc1noc(C)c1CCN[C@@H](C)CC(C)(C)C#N 925004319 RPLSIDXCYXXGIY-JTQLQIEISA-N 249.358 2.752 30 20 BFED C=CC[C@@H](C)N[C@@H](C)c1cc(OC)ccn1 925432217 QRJATKBGOHWGNN-MNOVXSKESA-N 220.316 2.705 30 20 BFED C=C[C@H](CC)CC(=O)NCC1(C2CC2)CC1 935048614 PMDHRATVENQRNF-LLVKDONJSA-N 221.344 2.895 30 20 BFED CC[C@H](C)C=NNc1cc(O)nc2ncccc12 1119357684 JQYMWZZAHGMARW-VIFPVBQESA-N 244.298 2.779 30 20 BFED C=C(C)CCC(=O)Nc1ccc2c(c1)N(C)CC2 1121037150 DCIBHIULRIUSDP-UHFFFAOYSA-N 244.338 2.974 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)NCCC(F)F 1122470519 ZFJRHLFTOCFBIH-SNVBAGLBSA-N 246.301 2.782 30 20 BFED C=C(CC)C(=O)N1CCCC(C)(C)CC1 1123609281 KMKZMZYSWNDWGN-UHFFFAOYSA-N 209.333 2.991 30 20 BFED N#Cc1ccc(SCCc2ccncc2)nc1 1188611939 NKNLIBTWYZBREW-UHFFFAOYSA-N 241.319 2.683 30 20 BFED C=CCCOCC(=O)N1CCC[C@@H]1CCC=C 1262810005 VFFIVGALVGCDTR-ZDUSSCGKSA-N 237.343 2.536 30 20 BFED CC(=NNCC(C)C)c1ccc(F)c(O)c1 1336038932 CQRMJLJBBIUCCE-UHFFFAOYSA-N 224.279 2.501 30 20 BFED C=C(C)CCC(=O)N1CCC[C@@H](CC)C1 1338866083 AJZSKIKOYUIPSM-GFCCVEGCSA-N 209.333 2.991 30 20 BFED CC[C@H](C#N)N(CC)C(=O)CCCCSC 1339199024 ZINGLTLFCATPMJ-LLVKDONJSA-N 242.388 2.670 30 20 BFED C=C[C@@](C)(CC)COC(=O)COC(F)(F)F 1344788015 QKUXUAJRKYVMKY-VIFPVBQESA-N 240.221 2.668 30 20 BFED C=C[C@@H](COC)NCc1cccc(Cl)c1C 1351782358 PERYCRQLFIKULH-LBPRGKRZSA-N 239.746 2.939 30 20 BFED C=CC[C@H](SCCC[C@@H](O)CCC)C(=O)O 1588758766 JSXGDGTUJKDHFZ-QWRGUYRKSA-N 246.372 2.690 30 20 BFED C=CCOc1cccc(N[C@H](CC=C)C(=O)O)c1 1602921978 YIJUIESSAUUNOD-CYBMUJFWSA-N 247.294 2.693 30 20 BFED Cc1ccc(C(=O)/C=C\c2ccoc2C(=O)O)o1 1607724994 JGFOSPYHUSKALC-ARJAWSKDSA-N 246.218 2.775 30 20 BFED C=CCCCCN1CC2(CC2)C[C@H]1CC(=O)O 1776207838 SGOBIPCFVVQCLK-GFCCVEGCSA-N 237.343 2.672 30 20 BFED CCN(CC)CCCOc1ccc(C#N)cc1 2009062 VYKPSPFZDJGTOE-UHFFFAOYSA-N 232.327 2.669 30 20 BFED N#CCCCN1CC[C@@H]2CCCC[C@@H]2C1 35174414 XJYLEPYDFDSIAM-QWHCGFSZSA-N 206.333 2.802 30 20 BFED CCCCN(C(=O)[C@H](C#N)CC)[C@@H](C)CC 44826735 JGOKBEBYHSRGQR-RYUDHWBXSA-N 224.348 2.963 30 20 BFED C#CCNc1ccc(Br)c(C)c1 49136554 KUHZONSWDFJTGD-UHFFFAOYSA-N 224.101 2.803 30 20 BFED CCC[C@H](CC)NC[C@@H](O)c1ccc(C#N)cc1 50403301 SLFQKHPACLUCNX-LSDHHAIUSA-N 246.354 2.760 30 20 BFED COCCCNc1ccc(Cl)cc1C#N 52856950 WXSJRSMXQRPKNL-UHFFFAOYSA-N 224.691 2.660 30 20 BFED C=CCNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 53161041 GQRVMHSFBRVNLE-PWSUYJOCSA-N 233.311 2.638 30 20 BFED CC[C@H](CC#N)NC(=O)CCc1ccccc1C 54177766 AABKORVXPKATFD-CQSZACIVSA-N 244.338 2.736 30 20 BFED CSc1ccc(Nc2nccnc2C#N)cc1 54379036 SHBVBOQNKXLFHO-UHFFFAOYSA-N 242.307 2.814 30 20 BFED C[C@H]1CCC[C@H](NC(=O)N2CCC(C#N)CC2)C1 57994388 LBOHRSDCXBVPIM-AAEUAGOBSA-N 249.358 2.510 30 20 BFED C=CCN(CC=C)C(=O)NC[C@H]1CC=CCC1 69240841 CITQEVQIRQPUAL-ZDUSSCGKSA-N 234.343 2.726 30 20 BFED COc1cccc(COc2ccccc2C#N)n1 70093688 OKZAKSCEVXSLPW-UHFFFAOYSA-N 240.262 2.541 30 20 BFED C=CCN(C)Cc1csc([C@@H](C)OCC)n1 75887956 MSMZHRVXKNWWDL-SNVBAGLBSA-N 240.372 2.858 30 20 BFED C#CCOC(=O)[C@@H](C)CCc1ccccc1F 76845120 MCAOPXDVZUEVKC-NSHDSACASA-N 234.270 2.571 30 20 BFED C[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 77012514 HUJVGAHCCADPJA-CYBMUJFWSA-N 244.338 2.821 30 20 BFED CC#CCOc1ccc(CC)cc1[N+](=O)[O-] 78983291 YTIWKJOPHQUPHY-UHFFFAOYSA-N 219.240 2.559 30 20 BFED CC(C)CC[C@H](C)NC(=O)C1(C#N)CCC1 83794907 UURFIRAXICRPAP-NSHDSACASA-N 222.332 2.621 30 20 BFED C#CCCCCN[C@@H](C)c1nccs1 90398354 FTWNTSNPMRHCTK-JTQLQIEISA-N 208.330 2.597 30 20 BFED CCCC(O)(CCC)CNc1cnccc1C#N 94163443 YBSSMSGUNQFVDX-UHFFFAOYSA-N 247.342 2.696 30 20 BFED C[C@@H](NC[C@@]1(C)CCCO1)c1ccc(C#N)cc1 94797124 ZRLFHLCLDVRBLS-IUODEOHRSA-N 244.338 2.778 30 20 BFED C=C(C)COC(=O)COc1ccccc1CC 98069896 IDUCOYJPRPDYTE-UHFFFAOYSA-N 234.295 2.747 30 20 BFED C=CCCc1nc(COc2ccccc2)no1 109480802 HMJXZEIXYBIUGX-UHFFFAOYSA-N 230.267 2.767 30 20 BFED C#CCCCCC(=O)N1[C@@H](C)CCC[C@@H]1C 120102449 GLQGVEPPCOPUAZ-STQMWFEESA-N 221.344 2.970 30 20 BFED C=CCC[C@H](NC[C@H](C)C[C@@H](C)O)C1CC1 121306789 YQAXQNFSXMKCKF-BZPMIXESSA-N 225.376 2.728 30 20 BFED N#Cc1cccc(NC(=O)C2[C@@H]3CCC[C@@H]23)c1 123339694 IBMDJUSFKPBCGX-VXGBXAGGSA-N 226.279 2.543 30 20 BFED C=CCNC(=O)N(C)[C@H](C)c1cccs1 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236.233 2.922 30 20 BFED CC[C@H]1CC[C@@H](C)N1C(=O)C#CC(C)(C)C 837511657 CZWHKJGOQQXPPO-NEPJUHHUSA-N 221.344 2.825 30 20 BFED C=C(Cl)CNC(C)(C)c1c(C)noc1C 839601588 DIOCUCPYJSCUEE-UHFFFAOYSA-N 228.723 2.869 30 20 BFED Oc1cccc(/C=N/[C@@H]2CCC[C@@H]3C[C@@H]32)c1O 840709400 CQXBIEHLHGZVRV-QKNXHLJISA-N 231.295 2.705 30 20 BFED C=CCCCC(=O)OCc1nc(C)oc1C 841341966 YDHPCYLYFCIOHV-UHFFFAOYSA-N 223.272 2.691 30 20 BFED FC(F)(F)CNN=C1CCC(F)(F)CC1 842529745 IWOMZYDZNCIQTC-UHFFFAOYSA-N 230.180 2.704 30 20 BFED CCCON=C(C)c1ccc(F)cc1[N+](=O)[O-] 842553827 LHVCQJKTCADIAV-UHFFFAOYSA-N 240.234 2.885 30 20 BFED CCCCCCCC(=O)N[C@@H]1CO[C@@H](C)C1 843731706 NNCXVFTWLBGMJC-RYUDHWBXSA-N 227.348 2.641 30 20 BFED C=C(C)CON=C1CCc2cccc(O)c21 844619692 JMWQNSXEPBDIKG-UHFFFAOYSA-N 217.268 2.635 30 20 BFED COC[C@@H](C)NN=Cc1ccccc1C(C)C 848408122 FSQLPUCJSONQKP-GFCCVEGCSA-N 234.343 2.768 30 20 BFED C[C@H](CNc1ccc(C#N)c(N)n1)C(C)(C)C 848665336 UMPMWYSMDIZFSZ-SECBINFHSA-N 232.331 2.630 30 20 BFED 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2.670 30 20 BFED C[C@H]1CN(Cc2ccc(F)cc2C#N)C[C@@H]1C 76110399 XUFWJHRQMGZCMR-QWRGUYRKSA-N 232.302 2.785 30 20 BFED C=CCCN1CCOC[C@H]1c1ccccc1 76118889 KXDJKQSSHVCCLK-AWEZNQCLSA-N 217.312 2.636 30 20 BFED N#Cc1nccnc1N[C@@H]1CCC[C@H](C2CC2)C1 78378928 MCHMLZUDAQIILS-NWDGAFQWSA-N 242.326 2.729 30 20 BFED C=C(C)CN(CCC#N)Cc1ccco1 78666426 AXNCGXTUWQCTMJ-UHFFFAOYSA-N 204.273 2.571 30 20 BFED CC1CCC(CNC(=O)C2(C#N)CCC2)CC1 83795275 SCXSNYXIJYWXHU-UHFFFAOYSA-N 234.343 2.623 30 20 BFED N#Cc1cccnc1N1CCC[C@@H]2CCC[C@@H]21 87771390 CHIMIJRXUGHMAW-AAEUAGOBSA-N 227.311 2.722 30 20 BFED C=CCNC(=O)CSC[C@@H]1CCC[C@@H](C)C1 92338535 CIMLYJDBHQHRMU-VXGBXAGGSA-N 241.400 2.848 30 20 BFED Cc1ocnc1CNc1c(F)cc(C#N)cc1F 92689657 OUEKWWHCZMXZTD-UHFFFAOYSA-N 249.220 2.745 30 20 BFED Cc1ncccc1CN(CCC#N)CC1CC1 93091556 MHEJKEYAIQTZAA-UHFFFAOYSA-N 229.327 2.516 30 20 BFED C=CCCOC(=O)c1ccc(COC)cc1 103650795 KQKQNOMBDNXCQW-UHFFFAOYSA-N 220.268 2.566 30 20 BFED C=CCCc1nc(-c2ccc(OC)cc2)no1 109531024 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BFED C=CC[C@H](C)NCc1cc(C#N)cs1 135492967 DXBCONLLNLBADJ-VIFPVBQESA-N 206.314 2.674 30 20 BFED CS[C@H]1CCCCN(c2ncccc2C#N)C1 154666014 HIBTVBOAQJQVSS-LBPRGKRZSA-N 247.367 2.675 30 20 BFED CS[C@@H](C)CC(=O)Nc1cccc(C#N)c1 155150277 FZUBULZOTLRQJF-VIFPVBQESA-N 234.324 2.638 30 20 BFED C[C@H](CC#N)N(C)CCCCC(F)(F)F 155552009 VWMQKKZJWLCHDC-SECBINFHSA-N 222.254 2.953 30 20 BFED CCCCCCCCC(=O)N(C)[C@@H](C)CN 158419641 NAERCFBPVWLBQV-LBPRGKRZSA-N 228.380 2.543 30 20 BFED C=CCN(C)C(=O)C[C@@H](C)c1cccc(OC)c1 161478120 OKJBNANJRMGNDW-GFCCVEGCSA-N 247.338 2.833 30 20 BFED C=CCN(C)C(=O)CCCc1cccs1 161500151 JZGOBXTXZATFPX-UHFFFAOYSA-N 223.341 2.715 30 20 BFED CCc1cccc(OCCN(C)[C@H](C)CC#N)c1 161946472 XJLQMXDNUZWTGJ-CYBMUJFWSA-N 246.354 2.862 30 20 BFED CC[C@](C)(C#N)C(=O)NC[C@@H](C)C(C)(C)C 162818279 NCEXBYJQCCVGOL-ZWNOBZJWSA-N 224.348 2.725 30 20 BFED C[C@H](CC#N)N(C)C(=O)c1sccc1Cl 162966706 WUXFSLDRQFKBOW-SSDOTTSWSA-N 242.731 2.776 30 20 BFED CC#CCCN[C@H]1CCC[C@H](C2CC2)C1 163424656 USCLBQMREJLIRS-KBPBESRZSA-N 205.345 2.958 30 20 BFED CCC1(CNCc2ccc(C#N)cc2)CC1 165460256 UEAXXQBSQMGXBH-UHFFFAOYSA-N 214.312 2.838 30 20 BFED CC(C)(C#N)CNC(=O)CC1CCCCC1 167184898 CADTVRGMIYCHAC-UHFFFAOYSA-N 222.332 2.623 30 20 BFED CCc1sc(C(=O)N[C@H](C#N)CC)cc1C 171004433 FFYZPNRSCIPPLE-VIFPVBQESA-N 236.340 2.651 30 20 BFED CC[C@H](CC(=O)N[C@H](C)CC#N)c1ccccc1 171535585 JHBLEVGLVUEZKR-CHWSQXEVSA-N 244.338 2.989 30 20 BFED C#CCCCNC(=O)N(C)Cc1ccc(C)cc1 174078574 DUNIEWJHZVXALK-UHFFFAOYSA-N 244.338 2.550 30 20 BFED C#CCSCCN[C@H](C)c1cccc(OC)c1 177361215 IIKQOABNVZMKPE-GFCCVEGCSA-N 249.379 2.712 30 20 BFED C#CCCOC(=O)CCc1cc(C)cc(C)c1 179933581 ZCABPEBNIKQCJY-UHFFFAOYSA-N 230.307 2.803 30 20 BFED N#Cc1ccc(/C=C/c2cc(O)cc(F)c2)nc1 184756772 IWJJISHLAQRYTR-HNQUOIGGSA-N 240.237 2.968 30 20 BFED N#C[C@H]1CCC[C@H](NCc2ccc(Cl)nc2)C1 185787053 ZCMFBBQYVLCJGK-JQWIXIFHSA-N 249.745 2.907 30 20 BFED CN1CC[C@H](CSc2cccc(C#N)c2)C1 187692406 GUMDREARYZFYHN-LBPRGKRZSA-N 232.352 2.602 30 20 BFED C=CCC[C@@H](C)N[C@@H](C)C(=O)OCC(C)C 187917671 MSPRPVHTDNIJKX-NEPJUHHUSA-N 227.348 2.518 30 20 BFED CC(C)CN(C)c1cc(C#N)cc(Cl)n1 215398350 YQNRLBIGAGXLLI-UHFFFAOYSA-N 223.707 2.699 30 20 BFED Cc1ccc(C#N)c(S[C@H]2CCO[C@H]2C)n1 235357220 YIIKDEUPUJDVEQ-ONGXEEELSA-N 234.324 2.531 30 20 BFED C[C@H]1C[C@H](C)CC[C@H]1OC(=O)C(C)(C)C#N 246137295 JUMXHFJTWISJHM-OUAUKWLOSA-N 223.316 2.904 30 20 BFED C#CCCOc1ccc(CNC2CCC2)cc1 264978994 TUKLXRDWHJSVKV-UHFFFAOYSA-N 229.323 2.731 30 20 BFED C=CCN(CCCC(=O)OC)Cc1ccccc1 265210246 DECQGKTZSQQYCH-UHFFFAOYSA-N 247.338 2.628 30 20 BFED C=CC[C@H](C)NC(=O)CCOc1cccc(C)c1 265368037 ZTLWNNFFFMAURL-ZDUSSCGKSA-N 247.338 2.845 30 20 BFED C=CCN(CC=C)c1ccc(C(F)(F)F)nn1 270926234 JYSYDUNLMBNOLX-UHFFFAOYSA-N 243.232 2.674 30 20 BFED CC(C)OCCNC1(c2cccc(C#N)c2)CC1 271823471 SJOYZVPXLFBSNX-UHFFFAOYSA-N 244.338 2.562 30 20 BFED C[C@H](O)C[C@H](C)CN[C@H](C)c1cccc(C#N)c1 271882262 PTTKMXBRTZKAQW-RWMBFGLXSA-N 246.354 2.616 30 20 BFED C=C(C)CN(CC)C(=O)[C@H]1CCCCS1 272923017 FSGLYBGIEADVSX-LLVKDONJSA-N 227.373 2.697 30 20 BFED Cc1ccc(F)cc1NC(=O)NCCCC#N 273104452 BMDHQZQBRAPCBL-UHFFFAOYSA-N 235.262 2.559 30 20 BFED COC[C@@H](C#N)Nc1cc(SC)ccc1C 273351773 QIAMXBIMTMJTDQ-SNVBAGLBSA-N 236.340 2.667 30 20 BFED C[C@H]1CCN(c2ccc(C#N)nc2)CC1(C)C 273466492 HNSDYEIJTPKRII-NSHDSACASA-N 229.327 2.826 30 20 BFED CC(C)(CCC#N)CN1CCC=C(F)C1 274520467 YFSXROKQKKJAGN-UHFFFAOYSA-N 210.296 2.875 30 20 BFED CC1(C)CCCN(Cc2ccco2)[C@@H]1C#N 278129671 BYSCLJJZXRGAOU-GFCCVEGCSA-N 218.300 2.794 30 20 BFED C=CC[C@H](CC)NCc1cccc2c1OCO2 281303387 JJCXTCCPPORDQW-LBPRGKRZSA-N 233.311 2.860 30 20 BFED C=CCn1c(C2CC2)nnc1N1CCC[C@H](C)C1 282280035 MVIAGZFHNXJXHW-NSHDSACASA-N 246.358 2.578 30 20 BFED Cc1ccc(C#N)cc1OC[C@@H](O)C(C)(C)C 290239093 WPBIIFAERYYGEK-CYBMUJFWSA-N 233.311 2.653 30 20 BFED C=CCC(C)(C)CNC(=O)Cc1ccc(C)nc1 293801536 POFSYZPTHFWHEP-UHFFFAOYSA-N 246.354 2.651 30 20 BFED C=CCC(C)(C)CNC(=O)c1scnc1C 293917835 AVNXMYGIIFXLSX-UHFFFAOYSA-N 238.356 2.784 30 20 BFED C=CC(C)(C)C(=O)Nc1nnc(C(C)C)s1 294560613 OLHWGYSYOKQLCH-UHFFFAOYSA-N 239.344 2.812 30 20 BFED CCCN(CC#N)Cc1ccccc1OC1CC1 297405658 GDILYFHLNVYXEP-UHFFFAOYSA-N 244.338 2.963 30 20 BFED CCc1ccc(CN2CC(C)(C#N)C2)cc1 297431914 NIMOOMIZQMKDHT-UHFFFAOYSA-N 214.312 2.594 30 20 BFED CCN(CC#N)CCSc1ccccc1F 299524663 JAAGRESWOLXUBJ-UHFFFAOYSA-N 238.331 2.763 30 20 BFED N#Cc1ccc(CN[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)s1 300570044 DUNRGBRQGHEMGU-XXINRUCKSA-N 244.363 2.754 30 20 BFED CC(C)(C)CCCCNc1nccnc1C#N 301212750 VZWGKRKGWQFGRR-UHFFFAOYSA-N 232.331 2.977 30 20 BFED N#Cc1cccnc1N1CCC2(CCCC2)C1 301469583 NXNYIOUCGXQUQH-UHFFFAOYSA-N 227.311 2.724 30 20 BFED N#Cc1cccc(Oc2ccc(Cl)nc2)n1 301866386 VLGXWGHJGKOFDI-UHFFFAOYSA-N 231.642 2.794 30 20 BFED Cc1cncc(N[C@@H](C)c2ccc(C#N)cc2)n1 302239108 WZZHJDGTBPHHDL-NSHDSACASA-N 238.294 2.830 30 20 BFED C=CCCCN(C)c1c(C#N)cccc1C#N 302907265 XPRZWYCEQXKCFJ-UHFFFAOYSA-N 225.295 2.832 30 20 BFED CCC(CC)C/N=C(/N)Nc1cccc(OC)c1 304755842 NDHWLFMTNRVYHL-UHFFFAOYSA-N 249.358 2.858 30 20 BFED C=CCC[C@H](CO)NCc1coc2ccccc12 320811079 XEKHXKGNEJTUTC-CYBMUJFWSA-N 245.322 2.850 30 20 BFED C=CCC[C@@H](CO)N[C@H](C)c1ccc(OC)cc1 321088914 DBEDJGCJYMZPIZ-OCCSQVGLSA-N 249.354 2.673 30 20 BFED CC[C@H]1OCCC[C@H]1C(O)=Nc1ncc(C)o1 330302189 JKDWJCXTGXDAOI-NXEZZACHSA-N 238.287 2.776 30 20 BFED Cc1noc(C)c1/C(O)=N/[C@@](C)(C#N)CC(C)C 330477891 XALXFOBMHUCOAN-CYBMUJFWSA-N 249.314 2.924 30 20 BFED CCCc1cc(O)nc(SCC2(C#N)CC2)n1 331993535 QNMANOOUKPGMJD-UHFFFAOYSA-N 249.339 2.531 30 20 BFED CC1(C)CC[C@H](C(=O)NC2(C#N)CCCC2)C1 334265775 YOQACCQAPNTGNM-NSHDSACASA-N 234.343 2.765 30 20 BFED C[C@@H]1CC[C@H](NC(=O)c2ccc(F)c(C#N)c2)C1 334334116 WNLFSKWSQAIEOP-SKDRFNHKSA-N 246.285 2.616 30 20 BFED C[C@H]1C[C@H](C)CN(c2ncc(C#N)cc2F)C1 334810512 GECVOPLSFFDTEZ-UWVGGRQHSA-N 233.290 2.575 30 20 BFED C[C@H](CC#N)N(C)C(=O)C1=CCC(C)(C)CC1 335220542 FNMNAEBMKMXYSP-LLVKDONJSA-N 234.343 2.883 30 20 BFED C=C[C@@H]1CCCCN1C(=O)Nc1cccnc1 335291378 GZISEWFAMBFQMK-GFCCVEGCSA-N 231.299 2.654 30 20 BFED C=CCC(C)(C)C(=O)N1CCOC(C)(C)[C@@H]1C 335393738 SRPHUWODKQUDJB-NSHDSACASA-N 239.359 2.615 30 20 BFED C[C@@H](C(=O)Nc1ccccc1C#N)C1CCC1 335586258 DWVUTYSFUIENFN-SNVBAGLBSA-N 228.295 2.933 30 20 BFED Cc1nc(C(C)C)oc1CN1CCC(C#N)CC1 335684854 DWKABRNKMJHZTC-UHFFFAOYSA-N 247.342 2.842 30 20 BFED CC1(C#N)CCN(C[C@H]2CC=CCC2)CC1 335974458 XNCURWQAVUWCRN-ZDUSSCGKSA-N 218.344 2.968 30 20 BFED N#CCCCN1CCCc2ccccc2CC1 336291826 VRBUFFNKNKBSFU-UHFFFAOYSA-N 228.339 2.781 30 20 BFED C=C1CCN(C(=O)[C@@H](C)CCCC)CC1 337484387 GPZIFGYGNCWNSD-LBPRGKRZSA-N 209.333 2.991 30 20 BFED C=CCCOCCNC(=O)C1(CCC)CCC1 339881564 XOWUWFCZJNGTRO-UHFFFAOYSA-N 239.359 2.666 30 20 BFED CC#CCCCC(=O)N1C[C@@H](C)CC1(C)C 342050777 RQTHYECZFMQHSR-LBPRGKRZSA-N 221.344 2.827 30 20 BFED C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCSC1 343015375 ZOHMLOGUMSFJSR-GHMZBOCLSA-N 242.388 2.536 30 20 BFED CC(C)[C@H](C#N)NC(=O)[C@H](C)CC1CCCC1 347283855 ZFWNWLJDRRRKGW-YPMHNXCESA-N 236.359 2.867 30 20 BFED N#Cc1cccc(SCCc2cn[nH]c2)c1 352160961 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Cn1ncc2c1CCCC2=NOC1CCCCC1 777459515 RCMVSUMXOJZUBP-UHFFFAOYSA-N 247.342 2.810 30 20 BFED C#CCCCCCC(=O)NC(C1CC1)C1CC1 779772113 FXOXFEGZFFHSFR-UHFFFAOYSA-N 233.355 2.875 30 20 BFED Cc1ccc(C=NN[C@H]2CCOC(C)(C)C2)cc1 780253707 YSCJKYSUZDHKMS-AWEZNQCLSA-N 246.354 2.876 30 20 BFED C=CCN(C(=O)[C@@H](OC)c1ccccc1)C(C)C 780931013 ULMPPUULZKADQC-AWEZNQCLSA-N 247.338 2.797 30 20 BFED CC[C@H](C#N)OC(=O)c1cccc2cnccc12 781181117 AQKZQCORLIVOFD-LLVKDONJSA-N 240.262 2.694 30 20 BFED CC#CCCOC(=O)c1ccc(OCC)cc1 782147119 NPZHFZUMTNORAV-UHFFFAOYSA-N 232.279 2.656 30 20 BFED C=C[C@](C)(CCOC)C(=O)OCCCCC 782450523 WMHXCSVJXQIKDA-CYBMUJFWSA-N 228.332 2.949 30 20 BFED C[C@H]1CC(=NNCCC(C)(C)C)CN1C1CC1 782908254 SXYPEILBOGDKKH-NSHDSACASA-N 237.391 2.625 30 20 BFED C#C[C@H](NC[C@@H]1C(C)=CCC[C@@H]1C)[C@H]1CCCO1 785979572 QBRHZGDKKYHFQL-XUWVNRHRSA-N 247.382 2.749 30 20 BFED Cc1cnc(Cl)c(NC(=O)C(C)(C)C#N)c1 787974238 PXAGMYAPMRSDRI-UHFFFAOYSA-N 237.690 2.532 30 20 BFED C#CCSCCNCc1cc2ccccc2[nH]1 788519288 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CCCCC[C@H](C)NC(=O)CCCC#N 812458215 ZYWZNPQYPLYDQZ-NSHDSACASA-N 210.321 2.765 30 20 BFED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C=C 816513324 NIWBRGFSEQWXHO-JTQLQIEISA-N 229.270 2.765 30 20 BFED C=C(C)CN(C)Cc1ccnc(Cl)c1F 824113880 NCTMYJVLLLFGBW-UHFFFAOYSA-N 228.698 2.882 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1cccc(OC)n1 824636017 ZQMCMOKUUBHOCD-JTQLQIEISA-N 234.299 2.631 30 20 BFED N#Cc1ccc(F)c(C(=O)NCCC2CCC2)c1 829929892 VYGILOZRKJQFJA-UHFFFAOYSA-N 246.285 2.617 30 20 BFED CC(C)C#CC(=O)N1CCC(C)(C(C)C)CC1 832517356 IYYXEHFUUZMUGR-UHFFFAOYSA-N 235.371 2.931 30 20 BFED C[C@H](NN=C1C[C@@H](C)O[C@@H]1C)c1ccccc1 834943448 ANLDZBRFBPVJSA-GRYCIOLGSA-N 232.327 2.891 30 20 BFED COc1cc(CC(C)=NNC2CCCC2)ccn1 834953264 DFYGBLYDVZQPOR-UHFFFAOYSA-N 247.342 2.541 30 20 BFED C=CCCCCC(C)=NN(C)CCOC 834976753 AIQVWAPICXCBBT-UHFFFAOYSA-N 212.337 2.687 30 20 BFED C[C@@H]1CCCC(=NN[C@@H]2CCOC2(C)C)C1 835014263 DIYIIKNSCYTDQH-ZYHUDNBSSA-N 224.348 2.710 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)Oc1cc(C)ccc1C 835044919 CGSQTKRGWCUQKJ-OLZOCXBDSA-N 246.306 2.800 30 20 BFED C[C@H](OC(=O)C#CC1CC1)c1ccccc1 838366856 SILYWXRPLKFBNO-NSHDSACASA-N 214.264 2.704 30 20 BFED C=CCCCC(=O)O[C@H]1CCC[C@@H](C#N)C1 839056707 UZESXEWXVDCUAQ-NEPJUHHUSA-N 221.300 2.968 30 20 BFED CCC(=NN[C@H]1CCSC1)[C@H]1CC1(C)C 841637942 MHGBIFLJWVUMHD-VHSXEESVSA-N 226.389 2.894 30 20 BFED Cc1ccc(C(=O)OC2(CC#N)CCC2)nc1C 842354248 WKXKJOKSKYKNGO-UHFFFAOYSA-N 244.294 2.692 30 20 BFED C#CC1CCN(Cc2c(O)cccc2Cl)CC1 843427203 VHQIKYSTNWXSIM-UHFFFAOYSA-N 249.741 2.891 30 20 BFED C#C[C@@H](NC(=O)C(C)(C)C1CC1)c1ccccc1 843638724 DQERETISJCJGOB-CQSZACIVSA-N 241.334 2.913 30 20 BFED C#C[C@H](NC(=O)CCCC=C)c1ccccc1 843638843 DVSHZRRLGKLJAX-AWEZNQCLSA-N 227.307 2.833 30 20 BFED CCCCCCCCNC(=O)[C@@H]1CCC(=O)C1 843838371 CDZIOQFOKWCSDQ-GFCCVEGCSA-N 239.359 2.832 30 20 BFED Cc1c(NN=C2CC(C)C2)cccc1C(=O)O 844623346 MIYRUUICSHZHMT-UHFFFAOYSA-N 232.283 2.891 30 20 BFED C=C(C)CONC(=O)NC(CC)(CC)CC 845599000 YONXIXZYMGRMGH-UHFFFAOYSA-N 228.336 2.762 30 20 BFED CC[C@H](C)C(=O)O[C@H](C)CC(C)(C)C#N 851212526 SSAWMODZRFEQMR-VHSXEESVSA-N 211.305 2.904 30 20 BFED C=C(Cl)CN1CCOC(C2CC2)(C2CC2)C1 852648862 FWFMNTIHVPSPQZ-UHFFFAOYSA-N 241.762 2.630 30 20 BFED COCc1csc(C=NNC2CCCC2)c1 853302064 WCLKIOZXNVZTIO-UHFFFAOYSA-N 238.356 2.761 30 20 BFED Fc1cccc(NN=C[C@@H]2CC2(Cl)Cl)n1 853344674 QSHMJESNJRCMRU-LURJTMIESA-N 248.088 2.812 30 20 BFED CN(C[C@H]1CC1(C)C)C(=O)C#Cc1cccs1 856457814 DBHXIFAISQSRLA-LLVKDONJSA-N 247.363 2.604 30 20 BFED C#C[C@@H](C)N(C)C(=O)/C=C(/C)c1cccs1 857192811 HOIRFJAKWBLDRE-DWOQACPDSA-N 233.336 2.632 30 20 BFED C=CCCC[C@H](C)Nc1cc(Cl)nc(O)n1 858468680 KZHXKDSGYTXVAW-QMMMGPOBSA-N 241.722 2.992 30 20 BFED CCC(C#N)(CC)C(=O)OCCOCC(C)C 860200315 SIWDXVVVHCMKDE-UHFFFAOYSA-N 241.331 2.532 30 20 BFED C#CCCCCCCNCCOc1cccnc1 877038619 UKWUCISTIXJSAQ-UHFFFAOYSA-N 246.354 2.634 30 20 BFED C=CC(C)(C)CC(=O)Nc1nc(C)cs1 878022987 PDYPLDLKBOFOII-UHFFFAOYSA-N 224.329 2.992 30 20 BFED Cc1ccc(N2C[C@H]3CCCC[C@H]3C2)c(C#N)n1 882420521 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249.354 2.559 30 20 BFED C=C(C)CCOC(=O)c1cc(Cl)ncc1F 909849263 BOCJIYUKRKHPAM-UHFFFAOYSA-N 243.665 2.997 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)NCC1CC1 911867674 NGNRIZLSMDNHCG-GFCCVEGCSA-N 222.332 2.537 30 20 BFED CCCNN=Cc1cc([N+](=O)[O-])ccc1Cl 915965272 DAVXWXZKDYKZPU-UHFFFAOYSA-N 241.678 2.582 30 20 BFED CN(C)c1ccc(C=NNc2ccccn2)s1 916273929 WIGLBIOHHVYRNW-UHFFFAOYSA-N 246.339 2.655 30 20 BFED CCc1ncc(COc2cc(C#N)ccc2C)o1 917209793 MREWPVMECJTZES-UHFFFAOYSA-N 242.278 2.996 30 20 BFED C=C(Cl)COC(=O)c1cc(F)ccc1OC 928980700 GQCJXAFLLVJVEY-UHFFFAOYSA-N 244.649 2.744 30 20 BFED C=CCN(C[C@@H]1C[C@H]1CC)[C@@H](C)COC 930931553 YOSPHGBFMWKQCD-XQQFMLRXSA-N 211.349 2.555 30 20 BFED C=CC[C@H](C)NC(=O)c1cc(Cl)ncc1F 933039735 BXPHHQXCMCAKOI-ZETCQYMHSA-N 242.681 2.569 30 20 BFED C=CCC[C@@H](C)N[C@@H](C)Cc1cccnc1 934233901 LSUFCNRKERDXPI-OLZOCXBDSA-N 218.344 2.957 30 20 BFED N#CCC1(CN[C@H](c2ccncc2)C2CC2)CC1 934701204 MLEITALCFOAUME-AWEZNQCLSA-N 241.338 2.816 30 20 BFED 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223.360 2.844 30 20 BFED C=CCN(CC=C)c1nnc(C2CC2)n1C1CC1 565118918 MWRVGWQRYAOHKC-UHFFFAOYSA-N 244.342 2.669 30 20 BFED C=CCN(CC=C)C(=O)N[C@H]1CCC[C@H](F)C1 566911816 NRIPAMPVEKENHX-RYUDHWBXSA-N 240.322 2.651 30 20 BFED CCc1ccc(CN(CCC#N)C(C)C)cn1 568933381 RUOALHUOHSRUAN-UHFFFAOYSA-N 231.343 2.768 30 20 BFED N#Cc1cncc(N2CCCC3(CCCC3)C2)n1 569800227 CBVJKNWVTXYACY-UHFFFAOYSA-N 242.326 2.509 30 20 BFED C=C(C)CCNCc1cccc(-n2cccn2)c1 571612249 YGXWLMLUVIYQPZ-UHFFFAOYSA-N 241.338 2.928 30 20 BFED N#Cc1ccc(N2CC[C@H](C3CCC3)C2)nc1 591204507 XRYBFXKPINKWCA-ZDUSSCGKSA-N 227.311 2.580 30 20 BFED CC[C@H](C#N)N(C)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 594093272 NMYSBDUVMWHVQQ-UPJWGTAASA-N 248.370 2.985 30 20 BFED N#Cc1ccc(CCN2C3CCC2CC3)cc1 595288884 AAPFAWDEQQLKEZ-UHFFFAOYSA-N 226.323 2.728 30 20 BFED CC(C)C[C@@]1(C)CCCN1c1cc(C#N)cnn1 596252414 KTOGGWHFYLLMCH-CQSZACIVSA-N 244.342 2.753 30 20 BFED CC(C)(C#N)NC(=O)C1[C@H]2CCCCCC[C@H]12 597181816 GBPZOMHJSMCCQR-QWRGUYRKSA-N 234.343 2.621 30 20 BFED 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CC#CCOC(=O)C[C@@H](C)c1ccc(F)cc1 745023204 YYANGUMACNOMKJ-LLVKDONJSA-N 234.270 2.886 30 20 BFED CC(=NOCc1cccnc1)C1CCC1 746575765 CIGLAMNWOVFIIJ-UHFFFAOYSA-N 204.273 2.774 30 20 BFED Cc1cc(NN=C[C@@H]2C[C@H]3C=C[C@H]2C3)nc(C)n1 755648184 JUSGJIVIXZANNX-AVGNSLFASA-N 242.326 2.703 30 20 BFED C#CC[C@@H](NC(=O)C1=CCCC1)c1ccccc1 757620306 BPCZXKRCFPGPNA-OAHLLOKOSA-N 239.318 2.978 30 20 BFED CC[C@H](C)C(C)=NNc1ncccc1[N+](=O)[O-] 759203136 KHLXTBCZRZKHOH-QMMMGPOBSA-N 236.275 2.824 30 20 BFED C=C(C)CNc1ccccc1O[C@H]1CCOC1 759786811 KKADXBSXDKWTEI-LBPRGKRZSA-N 233.311 2.842 30 20 BFED Cn1cc(NN=C2CCC[C@@H](C3CC3)C2)cn1 761859922 CUJYJAYGBFQIEZ-LLVKDONJSA-N 232.331 2.788 30 20 BFED CC(Cc1cccs1)=NNc1cnn(C)c1 761868621 IGDMZFDZGMQVJX-UHFFFAOYSA-N 234.328 2.512 30 20 BFED CON=C1CCSc2c(F)cccc21 767488826 ATFODDJREMTKIK-UHFFFAOYSA-N 211.261 2.672 30 20 BFED CC1(C)CCCC(=NNC(=S)NC2CC2)C1 767759983 CAWRSHSASWWZGR-UHFFFAOYSA-N 239.388 2.569 30 20 BFED C=CCN(Cc1c(C)nn(CC)c1C)C(C)C 768546682 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BFED C=CCCCC(=O)N(C)[C@H](C)c1cccnc1 175356286 YLXPZXVSNSLNKI-GFCCVEGCSA-N 232.327 2.957 30 20 BFED C#CCCCCNC(=O)c1ccccc1SC 177344984 BIYQCSPDHVPQTQ-UHFFFAOYSA-N 247.363 2.942 30 20 BFED CCCCCCO/N=C(\C)c1cnn(C)c1 187131334 OSSUGYQJWZNGPF-SDNWHVSQSA-N 223.320 2.741 30 20 BFED C#CCNC(=O)[C@@H](C)SCCCCCC=C 192548923 IYHSYCVEIRQHJY-GFCCVEGCSA-N 239.384 2.604 30 20 BFED C=CCOC(=O)c1cccc2c1CCC2 194865490 OCOBKPOLULTCCL-UHFFFAOYSA-N 202.253 2.518 30 20 BFED Cc1cc(Cl)ccc1CNCCC#N 226403619 GYIHSVSYWPLINP-UHFFFAOYSA-N 208.692 2.652 30 20 BFED C#C[C@@H](CC)NC(=O)c1ccc(Cl)cc1F 233900371 SYSZBGHMPFJHFI-VIFPVBQESA-N 239.677 2.621 30 20 BFED CC(=NNc1nc2ccccc2[nH]1)c1ccc[nH]1 254486510 DZHQSEYRLKRUAD-UHFFFAOYSA-N 239.282 2.727 30 20 BFED C/C(=C/c1ccccc1Cl)C(=O)N[C@@H](C)C#N 254990070 VQJUWDUTJSGJIZ-RNKPRXRFSA-N 248.713 2.772 30 20 BFED C=C1CCN(C(=O)c2ccc(OCC)cc2)CC1 264108593 CRRXZHHHPKIAIB-UHFFFAOYSA-N 245.322 2.878 30 20 BFED CCCC(=CC(=O)N[C@@H](C)CC#N)CCC 271295453 USCJBTGKLULGCP-NSHDSACASA-N 222.332 2.931 30 20 BFED C#CCCN[C@H](C)c1cccc(-n2cccn2)c1 271833057 UTMCMTGLFVFHKD-CYBMUJFWSA-N 239.322 2.546 30 20 BFED CO[C@@H](C)CN(C)[C@@H](C)c1ccc(C#N)cc1 272804593 LYGKSDBCTBWSQH-RYUDHWBXSA-N 232.327 2.586 30 20 BFED CC#CCCCc1nc(CC(C)C)no1 274339961 OMBDIIXVOCZLJT-UHFFFAOYSA-N 206.289 2.614 30 20 BFED C=CCCCCNC(=O)NCC(C)(C)SC 274526157 CJLBGZYRICYDEZ-UHFFFAOYSA-N 244.404 2.784 30 20 BFED C=CCOc1cc(CCC(C)=O)ccc1OC 276987936 ZOOFFHHUZBOHNP-UHFFFAOYSA-N 234.295 2.782 30 20 BFED C=Cc1ccc(C(=O)N[C@H](C#N)C(C)C)cc1 277429401 CHUILQDNHHZYLS-CYBMUJFWSA-N 228.295 2.608 30 20 BFED C=CCCCN[C@H](C)c1c(F)cncc1F 285894708 ZLIMGNCHVURKQK-SECBINFHSA-N 226.270 2.977 30 20 BFED CO[C@@H](C)CN(C)c1ccc(Cl)cc1C#N 286633545 VGZFJEKWGQKSSM-VIFPVBQESA-N 238.718 2.683 30 20 BFED C=CCC(C)(C)C(=O)N(C)Cc1ccco1 292231621 NIWAIPIMIGJOSR-UHFFFAOYSA-N 221.300 2.840 30 20 BFED C=CCC(C)(C)C(=O)Nc1cc2n(n1)CCCC2 292588311 ZCLDJQAJWXEHLM-UHFFFAOYSA-N 247.342 2.760 30 20 BFED C[C@@H](CC(C)(C)O)N[C@@H](C)c1ccc(C#N)cc1 296308843 GFQFFHJLEFNBCO-RYUDHWBXSA-N 246.354 2.758 30 20 BFED C#C[C@H](NC(=O)[C@@H](C)CCCC)C(C)C 300985844 VAFOLWKOMRVONF-RYUDHWBXSA-N 209.333 2.587 30 20 BFED COc1ccccc1Sc1ccc(C#N)nn1 301996876 OWPLDYGWAZPHGF-UHFFFAOYSA-N 243.291 2.508 30 20 BFED C[C@H]1CC[C@H](Nc2nc3ccccn3c2C#N)C1 302539062 NHHICGOZTIEGOR-QWRGUYRKSA-N 240.310 2.806 30 20 BFED C#CCN1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 303133428 IWEXFOINALKWEW-ZQDZILKHSA-N 217.356 2.910 30 20 BFED CC(C)[C@H](O)COc1ccc(C#N)c(Cl)c1 304223955 XNDOBSVMXKLQRE-GFCCVEGCSA-N 239.702 2.607 30 20 BFED CCn1cncc1CNc1cc(C)cc(C#N)c1 308104005 CDORJEHASCWVQO-UHFFFAOYSA-N 240.310 2.695 30 20 BFED CCc1nc(C#N)cc(N(CC)C[C@@H](C)CC)n1 308183912 YCGQWCHNWHSYQI-NSHDSACASA-N 246.358 2.783 30 20 BFED Cc1cc(C#N)cc(NC(=O)c2ccoc2)c1 308209433 KGXDEYUWSOWTRE-UHFFFAOYSA-N 226.235 2.712 30 20 BFED Brc1cccc(C=NNC2CC2)c1 308278220 WPQVJYBFAJYVDS-UHFFFAOYSA-N 239.116 2.535 30 20 BFED C#CCCCN[C@H](C)c1ccc(C)nc1C 309515140 YLXCUGFZIOBBQF-GFCCVEGCSA-N 216.328 2.762 30 20 BFED C=CCC[C@H](CO)N[C@H](CCC)C1CCC1 321006995 LPFARJOHRXQCRZ-ZIAGYGMSSA-N 225.376 2.872 30 20 BFED CC1(C)C[C@H]1/N=C(/O)c1c[nH]c2ncccc12 329089379 WCWKDDLDHQAWHY-SNVBAGLBSA-N 229.283 2.666 30 20 BFED CCc1nnc(C)cc1/C(O)=N/C(CC)CC 330827779 SOTADEDTBTVQGK-UHFFFAOYSA-N 235.331 2.841 30 20 BFED CC[C@H]1CC[C@H](C)N1c1ncc(C#N)cc1F 334585943 FTQSOQTXBYJWHC-ONGXEEELSA-N 233.290 2.860 30 20 BFED CCC[C@@H](C)C(=O)N1CCCC(C)(C)[C@@H]1C#N 334618594 HLWLFYXJQIWXQC-NEPJUHHUSA-N 236.359 2.963 30 20 BFED C=C(C)C(C)(C)C(=O)NC1C[C@@H](C)O[C@H](C)C1 335100691 SURXWEWDHFYYPS-GHMZBOCLSA-N 239.359 2.661 30 20 BFED C[C@@H]1CCCC[C@H]1C(=O)N1CCC(C)(C#N)CC1 335115732 OZHPYQJNBZMVGP-CHWSQXEVSA-N 248.370 2.965 30 20 BFED CC1(Cc2noc(C(C)(C)C#N)n2)CCCC1 335143579 OGYYVHQAMDWPCC-UHFFFAOYSA-N 233.315 2.994 30 20 BFED CCC[C@@H](Cc1ccccc1)NCCC#N 336734274 KTUGHCMMRRVFQS-AWEZNQCLSA-N 216.328 2.901 30 20 BFED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1c1ccccc12 338741666 OAOTXIBPOYQJNE-GYSYKLTISA-N 240.306 2.607 30 20 BFED C=CCOCCN[C@@H](CC)c1nc(C)cs1 339082695 BXAYUKOHJPKMNG-NSHDSACASA-N 240.372 2.695 30 20 BFED C=C(C)[C@@H](CC(=O)Nc1ccc(O)cc1)OCC 339448599 OSIRXTYMBBWXBT-CYBMUJFWSA-N 249.310 2.702 30 20 BFED C=CCCC[C@H](C)NC(=O)c1ccncc1F 343253720 UKKBFIALYQFGSR-JTQLQIEISA-N 236.290 2.695 30 20 BFED C=C(C)CN(C)C(=O)[C@@H]1CC2CCC1CC2 345715126 LTEZTWNSTYIRDK-WXRRBKDZSA-N 221.344 2.847 30 20 BFED C=CC[C@@H](C)NC(=O)c1c(F)ccc(C)c1F 347167734 LSSPIMCQCLNWIL-SECBINFHSA-N 239.265 2.968 30 20 BFED C=CC[C@@H](CC)NC(=O)NC[C@H]1CC=CCC1 347836931 LFEIYWYUPMHIFF-QWHCGFSZSA-N 236.359 2.997 30 20 BFED C=CCC[C@H](O)CNC(C)(C)c1ccc(C)nc1 353582259 PZFFEEICVAOYSQ-AWEZNQCLSA-N 248.370 2.542 30 20 BFED C=CCCC1(C(=O)NC[C@@H]2C[C@H]2C)CC1 354610701 ZNGFAJHRNGNIPZ-MNOVXSKESA-N 207.317 2.505 30 20 BFED CCCC(O)(CCC)CNc1cccnc1C#N 357543565 XCHHXIHPUUKIHE-UHFFFAOYSA-N 247.342 2.696 30 20 BFED C=CCn1cccc1C(=O)NC[C@@H]1CC[C@H](C)C1 358049760 PTIJDJITKLFWDS-QWHCGFSZSA-N 246.354 2.840 30 20 BFED C=C(CC)CN1CCC[C@@H](N2CCCC2)CC1 358502019 UPCLJMYYQDQNHT-OAHLLOKOSA-N 236.403 2.903 30 20 BFED CCN(CC#N)C(=O)CCCC1CCCC1 361349333 UIKSTMNONOGQCC-UHFFFAOYSA-N 222.332 2.719 30 20 BFED C#CCCN1Cc2ccccc2C2(CCC2)C1 375689720 NUMULXCDRWQWFA-UHFFFAOYSA-N 225.335 2.947 30 20 BFED C=CCCOC(=O)CNc1ccccc1Cl 381498331 BUXHKKROIMHZPW-UHFFFAOYSA-N 239.702 2.871 30 20 BFED C#CCN(C)CCCN[C@@H](C)c1cccc(C)c1 385543667 VCUIGWXBUHRMGG-HNNXBMFYSA-N 244.382 2.601 30 20 BFED CC[C@@H](NN=C(C)CCCC(C)C)C(=O)O 390277167 UCQMZKJZAVCAIX-LLVKDONJSA-N 228.336 2.641 30 20 BFED CCCCCCCN[C@@](C)(CN)C1CC1 393759933 VMTKIAIAFNNXFR-ZDUSSCGKSA-N 212.381 2.674 30 20 BFED Cc1cc(C)c(C#N)c(NC[C@H]2CC[C@@H](C)O2)n1 397909962 YXLYFOKZGBURMD-VXGBXAGGSA-N 245.326 2.550 30 20 BFED C=CCCC[C@H](C)NCc1cncn1CC 398072957 NFFNAMMDJJVVTC-LBPRGKRZSA-N 221.348 2.737 30 20 BFED C[C@H]1C[C@H](Nc2cncc(C#N)n2)CC[C@H]1C 401272955 WJJOVGMDARSEQO-OUAUKWLOSA-N 230.315 2.585 30 20 BFED C[C@@H]1C[C@@H]1CNc1cc(C#N)sc1[N+](=O)[O-] 407125563 MBOAORZFBWGBIF-RNFRBKRXSA-N 237.284 2.596 30 20 BFED C[C@@H]1C[C@@H](C)N(c2ccc(C#N)cc2[N+](=O)[O-])C1 408220368 VQXRPVLZBNFNGQ-NXEZZACHSA-N 245.282 2.701 30 20 BFED CCCCCCCN=c1ccc(Cl)n[nH]1 409433268 ZRSSRRNXRLMCHG-UHFFFAOYSA-N 227.739 2.934 30 20 BFED Cc1occc1CN(CCC#N)CC1CC1 414377594 BLJWDQIAOAJEMI-UHFFFAOYSA-N 218.300 2.714 30 20 BFED N#CCCCSCc1nc(C(F)F)no1 424147695 CZSRWUQLUPMRCG-UHFFFAOYSA-N 233.243 2.544 30 20 BFED C=C(C)C(C)(C)C(=O)NCC#Cc1ccccc1 424577595 ZZUVXGYWLVWHGZ-UHFFFAOYSA-N 241.334 2.757 30 20 BFED C=C[C@H]1CCCCN1C[C@@H](O)Cc1ccccc1 425487650 VZFNGDBQNCLWHN-HOTGVXAUSA-N 245.366 2.631 30 20 BFED C[C@H](N[C@H](C)CCC#N)[C@H]1COc2ccccc21 428276428 LIZKKJAQXXZDHF-MBNYWOFBSA-N 244.338 2.833 30 20 BFED C=C(C)CCNCc1c(C)nn(CCC)c1C 449474771 KBROZTIBSHLPCL-UHFFFAOYSA-N 235.375 2.966 30 20 BFED CCC1(CNC(=O)[C@]2(C#N)C[C@@H]2C)CCCC1 450122917 SRRGHIDQLXVGKD-FZMZJTMJSA-N 234.343 2.623 30 20 BFED C=CCCN(C)C[C@H]1CCCCN1C(C)C 450823125 URQJAEWRZPKJJL-CQSZACIVSA-N 224.392 2.757 30 20 BFED C=C(CC)CNc1cc(N2CCCCC2)ncn1 450912759 NACJHQPHFVXXMA-UHFFFAOYSA-N 246.358 2.845 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@H](CC)C(F)F 452268070 XBCXXXNNMFTABM-LDYMZIIASA-N 219.275 2.749 30 20 BFED C=CCCC(=O)N1C[C@@H](C2CC2)[C@H]1C1CC1 456283086 KJZTWOUZZUVUCX-GXTWGEPZSA-N 219.328 2.600 30 20 BFED C=C(CC)CNC(=O)C[C@@H]1CC[C@H](C)C1 456809936 DAPZDOGAOJZMEG-NWDGAFQWSA-N 209.333 2.895 30 20 BFED C=CCCN[C@H](C)c1nc2c(s1)CCC2 459635260 SUTQXNABALYFBJ-SECBINFHSA-N 222.357 2.859 30 20 BFED CC#CCCN1C[C@@H](C)Oc2cc(F)ccc21 462311810 GPYZHVZLNWXQBC-LLVKDONJSA-N 233.286 2.826 30 20 BFED C#C[C@H](NC(=O)[C@@H]1C[C@H]1CCC)C(C)(C)C 491276858 LEGNPIDAACEBLG-UTUOFQBUSA-N 221.344 2.587 30 20 BFED C#C[C@@H](C)N(C)Cc1ccc(C#N)cc1Cl 491473806 HTIVXAPENJWAKW-SNVBAGLBSA-N 232.714 2.665 30 20 BFED C/C=C(/C=C/C(=O)N(C)C1(C#N)CCC1)CC 492141540 VCLQKFBFBZBPBU-DVKGPQSVSA-N 232.327 2.804 30 20 BFED C=C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 518281986 AMAFRANSVVQUHE-XDQVBPFNSA-N 233.355 2.990 30 20 BFED C=C(CC)CN1CCC[C@@H]1[C@H]1CCCOC1 519603587 WZYPKPPULAFJOO-UONOGXRCSA-N 223.360 2.844 30 20 BFED N#CCN(Cc1cnc(C2CC2)s1)C1CC1 534349013 NLJWFLGSKWDGIF-UHFFFAOYSA-N 233.340 2.508 30 20 BFED C[C@@H](Cc1ccsc1)N(C)[C@H](C)CC#N 543084562 LHOAZWLCCHDJSC-MNOVXSKESA-N 222.357 2.913 30 20 BFED N#Cc1ccccc1OC[C@H]1CC[C@H](CN)CC1 562980486 AASWKXBPQMWFOC-JOCQHMNTSA-N 244.338 2.702 30 20 BFED C=CCCCCN1CCC(CCCO)CC1 566955371 YTUDGUBFQIKMIY-UHFFFAOYSA-N 225.376 2.827 30 20 BFED Cc1oc(C(C)C)cc1C(=O)NC(C)(C)C#N 586776594 XKPQZHUVWPRRAB-UHFFFAOYSA-N 234.299 2.743 30 20 BFED C=CCCC(=O)N(CCC)CC(F)(F)F 588026750 XNSZUNAVCKOVKZ-UHFFFAOYSA-N 223.238 2.754 30 20 BFED CC[C@@H](C#N)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 593665677 FBLJTVFGPIOUCF-WCFLWFBJSA-N 234.343 2.621 30 20 BFED C=CCCCN[C@@H](CC(=O)OC(C)C)C(C)C 594039743 IEUNQKNVBBCODZ-ZDUSSCGKSA-N 241.375 2.909 30 20 BFED CC1(C)CCN(CCc2ccc(C#N)cc2)C1 595330525 KRBCYPCOJQMGPG-UHFFFAOYSA-N 228.339 2.833 30 20 BFED CCc1nc(C#N)cc(N2CCCC[C@H](C)C2)n1 596195761 HELISZUABFYORO-NSHDSACASA-N 244.342 2.537 30 20 BFED CC[C@@H](C)N(CC)C(=O)NCC1(CC#N)CC1 596588162 VGRWDWDQISFERW-LLVKDONJSA-N 237.347 2.510 30 20 BFED CC[C@@H](C(=O)N(CC)[C@@H](C)C#N)c1ccccc1 598349301 FQZNQWKQWUZIBV-GXTWGEPZSA-N 244.338 2.941 30 20 BFED CCCC[C@@H](C(=O)NC(C)(C)C#N)C(C)C 598669086 GGZOVHJWGDLPIG-LLVKDONJSA-N 224.348 2.867 30 20 BFED N#CCN(Cc1cc(O)ccc1Cl)C1CC1 599282209 PEAUXEBXMJFFFZ-UHFFFAOYSA-N 236.702 2.534 30 20 BFED Cc1occc1CNC[C@@H](C)CCC#N 602518194 LUBINDOFQPFJQK-JTQLQIEISA-N 206.289 2.618 30 20 BFED COC[C@H](NCc1ccc(C#N)c(C)c1)C(C)C 618194461 PCUILLGXYGJWTE-HNNXBMFYSA-N 246.354 2.627 30 20 BFED CCN(Cc1ccccn1)C[C@@H](C)CCC#N 619568740 ZOGVYLGKGZNYNZ-ZDUSSCGKSA-N 231.343 2.843 30 20 BFED C=C(C)CN(C)C(=O)C[C@@H](C)c1ccco1 626383109 DITZPFGBJBFGBY-LLVKDONJSA-N 221.300 2.808 30 20 BFED C=C(C)CCc1noc(-c2ccc(OC)o2)n1 656018313 TXQJRHOSVYZIBQ-UHFFFAOYSA-N 234.255 2.847 30 20 BFED C=CCN(CC(=O)Nc1ccccc1)C(C)(C)C 661755324 OKTDIYLYZMLDEI-UHFFFAOYSA-N 246.354 2.912 30 20 BFED C=CCCOCC(=O)N1CCCC[C@@H]1CCC 680410737 QYXCECUVOFWTAR-ZDUSSCGKSA-N 239.359 2.760 30 20 BFED C=C(C)CCN1C[C@@H](C(F)(F)F)O[C@H](C)C1 681404830 JLNSUTAAKVHNJB-ZJUUUORDSA-N 237.265 2.604 30 20 BFED CSC[C@H](C)N[C@@H](C)CC(C)(C)C#N 695775969 BPERAYMJJWCYFZ-UWVGGRQHSA-N 214.378 2.656 30 20 BFED CCCCCCCNc1nccn2cnnc12 703744065 MNACNAIXFNRLAW-UHFFFAOYSA-N 233.319 2.507 30 20 BFED C#C[C@](C)(CC)NCc1ncccc1Cl 707376117 UPOPKKJILHRMTN-GFCCVEGCSA-N 222.719 2.627 30 20 BFED CCCCCCC[C@H](C)NC/C=C/CO 717535215 VGNJGEPHXZGHCX-XEHSLEBBSA-N 213.365 2.874 30 20 BFED CC#CC[C@@H](CO)NCC(CC)(CC)CC 717709588 IJWKPWDSTXAOTK-ZDUSSCGKSA-N 225.376 2.567 30 20 BFED C#CCCOC(=O)C1(c2ccc(F)cc2)CCC1 727042680 PBLBZFGCMBXBJU-UHFFFAOYSA-N 246.281 2.814 30 20 BFED CC(=NNc1ccc(F)cc1F)[C@H]1CCOC1 741759192 HDJOGGKOBJUWKK-VIFPVBQESA-N 240.253 2.789 30 20 BFED CC1(C)CCCCC1=NNc1ncccn1 757585944 JITHIHZWYUIJCK-UHFFFAOYSA-N 218.304 2.845 30 20 BFED CCCCO[C@H]1CC(=NNC2CC2)C1(C)C 758127788 RXTPRNHEZYVXJA-LBPRGKRZSA-N 224.348 2.710 30 20 BFED COc1cccc2c1CCC2=NNC1CCCC1 759654250 YGNDQSKZCZBMEI-UHFFFAOYSA-N 244.338 2.878 30 20 BFED CCCCCCCN(C)CCN1CCCC1 760834112 SRNXVQNUQAUOFR-UHFFFAOYSA-N 226.408 2.984 30 20 BFED C=CCCC(=O)COC(=O)C(CC)CC 761385883 ULTYDKMFJPTPMM-UHFFFAOYSA-N 212.289 2.501 30 20 BFED C#CCCCCCc1nc([C@H]2C[C@H]2C)no1 762250568 DURHGOGSQMNDHV-MNOVXSKESA-N 218.300 2.929 30 20 BFED OCCCCCCON=Cc1cccc(F)c1 762459185 RWLWIJNWDZEIBP-UHFFFAOYSA-N 239.290 2.729 30 20 BFED C#CCN(C(=O)NC[C@@H]1CCCC[C@@H]1C)C1CC1 764692348 MMGGTWCABVKXQC-STQMWFEESA-N 248.370 2.620 30 20 BFED C#CCN1CCc2c(Cl)cc(Cl)cc2C1 766228547 YCIUDUPDYYOYMB-UHFFFAOYSA-N 240.133 2.985 30 20 BFED CC[C@@H](C)C(=O)OCc1ccc(C#N)cc1OC 766867106 AAXMTNINMWFWMX-SNVBAGLBSA-N 247.294 2.656 30 20 BFED CC#CCCOC(=O)C[C@@H]1CCC[C@H]1C 769178548 SICPXPGALQVMMH-NEPJUHHUSA-N 208.301 2.769 30 20 BFED C#C[C@@H](C)N(C)C[C@@H]1CCc2ccccc21 769976235 XUSVUIQLDAPYQO-OCCSQVGLSA-N 213.324 2.670 30 20 BFED C=C(CC)COC(=O)c1scnc1Cl 773497346 OAQXPLXOCZBMJL-UHFFFAOYSA-N 231.704 2.920 30 20 BFED CCOCCON=C1CCc2cc(C)ccc21 774430291 CSKGLNUGNMSUPV-UHFFFAOYSA-N 233.311 2.698 30 20 BFED C#C[C@H](N[C@H](CC)C[C@H](C)CC)[C@H]1CCCO1 775574855 SRIXFZYFUDPHHQ-APIJFGDWSA-N 237.387 2.972 30 20 BFED CCC[C@@H](C)C(=O)OCCC(C)(C)C#N 776375193 ALYSKGXIJVDDGA-SNVBAGLBSA-N 211.305 2.906 30 20 BFED C=C(Cl)COC(=O)/C=C/c1scnc1C 777088611 DXIODFZWOZBUJC-ONEGZZNKSA-N 243.715 2.760 30 20 BFED C=C(CC)COC(=O)Cc1c(C)noc1Cl 777121859 XWWIDFWTSRPFQM-UHFFFAOYSA-N 243.690 2.688 30 20 BFED C#CCCCCCC(=O)N1CCSC[C@H]1C 779958163 JOFNMPOLTFSILE-GFCCVEGCSA-N 239.384 2.534 30 20 BFED C#CCCCCCC(=O)OCCCCC#N 780259325 XBKXPCQDKCPPMM-UHFFFAOYSA-N 221.300 2.807 30 20 BFED CCC1(C=NO[C@@H]2CCCCO2)CCOCC1 781128293 QANAXEGHVQSKML-GFCCVEGCSA-N 241.331 2.722 30 20 BFED C=C[C@@](C)(CC)C(=O)OCCCCCCO 785752664 DYWWMCJBIGWXKD-ZDUSSCGKSA-N 228.332 2.685 30 20 BFED C=CCCOC(=O)[C@H]1CCCN1C1CCCC1 786884940 YQYWVWDCRFKKHN-CYBMUJFWSA-N 237.343 2.513 30 20 BFED CCOCCON=C1CCC2(CCCO2)CC1 788025621 WVEWHFUXEYKPRE-UHFFFAOYSA-N 241.331 2.519 30 20 BFED CC[C@@H](C)NN=Cc1ncccc1C(F)(F)F 790188934 IZMFPKVBSPISAE-MRVPVSSYSA-N 245.248 2.822 30 20 BFED C#CCN(C)CCSc1ccc(Cl)cc1 792298082 GTZFWBQTPJVTFA-UHFFFAOYSA-N 239.771 2.997 30 20 BFED C=C(C)CN(C)C(=O)C[C@H](O)CC[C@H](C)CC 793779887 JYVZGRXVTADVBI-CHWSQXEVSA-N 241.375 2.598 30 20 BFED CC(C)n1nccc1C=NOC1CCCC1 794526057 GAHYWBIRRFHKAP-UHFFFAOYSA-N 221.304 2.757 30 20 BFED C[C@@H]1CSCC1=NNc1cccc(F)c1 794901743 ODCRVRVDADXGTP-MRVPVSSYSA-N 224.304 2.977 30 20 BFED C=CCNN=C1C[C@H](OCCCC)C1(C)C 794994767 YDHYGSIRDRZYJI-LBPRGKRZSA-N 224.348 2.733 30 20 BFED C#CCCCCC(=O)N[C@H](C)c1ncccc1F 798251326 KCXWXBXITGFDFL-LLVKDONJSA-N 248.301 2.592 30 20 BFED COc1ccccc1CON=CC1(C)CC1 799117913 ROJHIOLHYXZNIJ-UHFFFAOYSA-N 219.284 2.998 30 20 BFED N#CCCCCN1CC[C@H](c2ccccn2)C1 799189850 HRNOBCLNJKFGCY-ZDUSSCGKSA-N 229.327 2.565 30 20 BFED Cc1cc(Cl)nc(CN[C@H]2CC[C@H](C#N)C2)c1 800494122 DJLUDLXPVKJZPE-QWRGUYRKSA-N 249.745 2.825 30 20 BFED Cc1cccc(C(=O)/C=C\c2cn(C)cn2)c1C 800792904 DPEJQOCFMREDHI-FPLPWBNLSA-N 240.306 2.933 30 20 BFED CC#CC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F 801161899 IDUFTERWCKNMQE-SMDDNHRTSA-N 245.297 2.759 30 20 BFED CC(C)C(Cn1cccn1)=NOC1CCCC1 802712105 FVNOEOMRKLFPCF-UHFFFAOYSA-N 235.331 2.854 30 20 BFED Clc1cncc(NN=C2CC[C@H]2C2CC2)n1 814797893 RWZPBWILASLDHM-QMMMGPOBSA-N 236.706 2.718 30 20 BFED Cc1cc(Cl)cc(C=NNCC(F)F)c1 814853315 JSNOXQAOQVGQPQ-UHFFFAOYSA-N 232.661 2.837 30 20 BFED C=C[C@@H](CC)CC(=O)NCCC1(OC)CCC1 820583095 DUAIMVJJTRYVEF-LBPRGKRZSA-N 239.359 2.664 30 20 BFED C=C[C@H](CC)CC(=O)N1CCC(SC)CC1 827814139 XCGALQLGZOZMTK-LLVKDONJSA-N 241.400 2.943 30 20 BFED C[C@@H](S[C@H](C#N)C1CCCCC1)C(=O)O 827902889 WVNNYYSFHXGPSX-PSASIEDQSA-N 227.329 2.665 30 20 BFED Cc1ccc(C#N)cc1C(=O)NC[C@H]1C=CCC1 829149566 GXMVUHBKKQPWIK-LBPRGKRZSA-N 240.306 2.563 30 20 BFED C=CCCCC(=O)Nc1ccc(OC)c(C#N)c1 830417144 RFQRDRJNHOJKQK-UHFFFAOYSA-N 244.294 2.862 30 20 BFED C=CCONC(=O)NC[C@@H](CC)CCCC 834914672 AZCDHLVHVYTMFC-NSHDSACASA-N 228.336 2.620 30 20 BFED CC[C@@H](C)CC=NNc1cccc(OC)n1 834973279 JXRIBEJOIZSXQN-SNVBAGLBSA-N 221.304 2.924 30 20 BFED C=CC(C)(C)CNC(=O)NOCc1ccccc1 836201496 NJYBNCWOKVQIDN-UHFFFAOYSA-N 248.326 2.630 30 20 BFED CC(C)(C)C#CC(=O)NC1CCC(F)(F)CC1 837502648 NRKQYHIYEKESLY-UHFFFAOYSA-N 243.297 2.730 30 20 BFED C=CCCCCOC(=O)C1[C@@H]2CCC[C@@H]12 837618230 TXLYCQVFOCKJAQ-GHMZBOCLSA-N 208.301 2.932 30 20 BFED C=CCCC(=O)COC(=O)c1cc(C)cs1 837761562 OOGBTQVEROPWJE-UHFFFAOYSA-N 238.308 2.749 30 20 BFED Cc1ccc(F)cc1COC(=O)C#CC1CC1 838366670 JWRUXTOTYLORFE-UHFFFAOYSA-N 232.254 2.591 30 20 BFED C#CCC[C@@H](C)OC(=O)CCc1c(C)noc1C 839035102 VYMSGKIVCNXBCM-SNVBAGLBSA-N 249.310 2.569 30 20 BFED C1CC(=NOCCOCC2CCCC2)C1 842031559 WYQAZGQJIWGDLX-UHFFFAOYSA-N 211.305 2.750 30 20 BFED CO[C@H](CON=C1CCCOCC1)CC(C)C 842039807 RLBXIKNZPDGTSV-ZDUSSCGKSA-N 243.347 2.621 30 20 BFED CO[C@@H](CC(C)C)C(=O)O[C@H](C)C(C)(C)C#N 842324861 HYDAWXYOWLXCAG-MNOVXSKESA-N 241.331 2.529 30 20 BFED CCC(C[C@@H](C)CC)=NN(CC)CCO 842534766 XUHGHSMBVDYDRB-NSHDSACASA-N 214.353 2.503 30 20 BFED C#CCNC(=O)CCCc1ccc(CCC)cc1 843757242 ZTVZEKBGIBPXEY-UHFFFAOYSA-N 243.350 2.711 30 20 BFED C=CC[C@H](C(=O)NOCCC)c1ccccc1 844087714 FHNVRSKBIZSPGE-ZDUSSCGKSA-N 233.311 2.804 30 20 BFED C[C@H]1CCCCCC1=NNC(=S)NC1CC1 844565328 FKWIZIDYYYAWAO-VIFPVBQESA-N 239.388 2.569 30 20 BFED COCCCNN=C1CCCCC[C@@H]1C 844592242 CWQZFQBYCOVHPJ-NSHDSACASA-N 212.337 2.569 30 20 BFED C=C[C@@H](C)ON=Cc1ccc(OCCOC)cc1 844622824 BSHLTLDNBMQTOU-GFCCVEGCSA-N 249.310 2.637 30 20 BFED C=C(C)CONC(=O)CCCCC(C)C 846534087 KOVXMSATZURWLN-UHFFFAOYSA-N 213.321 2.827 30 20 BFED C=C[C@@H](C)ONC(=O)c1sccc1C1CC1 846548173 DHFCUQSNEFYWAZ-MRVPVSSYSA-N 237.324 2.861 30 20 BFED C=CCOCCSCc1ccc(C)nc1 848670225 KELZOFXRWRNCKH-UHFFFAOYSA-N 223.341 2.826 30 20 BFED CCOc1cccc(/C=N\[C@H]2C=CCC2)c1O 849170127 LKWLNUCKYHZRRE-GQVHDAKQSA-N 231.295 2.928 30 20 BFED Cc1cc(COC(=O)CCCF)ccc1C#N 850194371 HPOYDITVGHPJOO-UHFFFAOYSA-N 235.258 2.660 30 20 BFED COC1(C(C)=NNc2ccc(F)cn2)CCC1 853305034 LRSDQRKEIZFLJL-UHFFFAOYSA-N 237.278 2.578 30 20 BFED C#CCCCCNc1cc(OCC)ncc1F 853443887 DJOFDLQFLYGUAL-UHFFFAOYSA-N 236.290 2.835 30 20 BFED C#Cc1cccnc1N[C@H]1CCOC2(CCC2)C1 853450400 XENJQMOHGBRLCJ-ZDUSSCGKSA-N 242.322 2.577 30 20 BFED C=CCN(CC=C)C(=O)CSCC(=C)Cl 853782512 DLXJNNOYMCFCLU-UHFFFAOYSA-N 245.775 2.673 30 20 BFED C#C[C@](C)(CC)NC(=O)C[C@H]1C=CCCC1 854702387 OOWZRMKMSBMFFB-GXTWGEPZSA-N 219.328 2.651 30 20 BFED CCC(C#N)(CC)C(=O)OCCCCC(C)=O 860194890 KMGIPUGFGVWSGB-UHFFFAOYSA-N 239.315 2.619 30 20 BFED N#Cc1ccc(NC(=O)N[C@H]2CC23CCC3)cc1 871762216 KOCIZMAOLLURAO-LBPRGKRZSA-N 241.294 2.622 30 20 BFED C=CCCNC(=O)N1Cc2ccccc2[C@H](C)C1 873063349 QRUYQVVDZDCNAZ-GFCCVEGCSA-N 244.338 2.891 30 20 BFED C#CCCCCCCNC[C@@H](O)c1ccc(C)o1 877058558 CBWABZDMSZXSIJ-CQSZACIVSA-N 249.354 2.795 30 20 BFED C=CCCC[C@H](C)NCc1ccc(Cl)nn1 877137524 WXVITKCIZXBFPR-JTQLQIEISA-N 239.750 2.964 30 20 BFED C=CC(C)(C)CC(=O)N[C@H]1CCS[C@@H]1C 880439882 MLKUEFQIWHQQBH-ZJUUUORDSA-N 227.373 2.599 30 20 BFED C#CCCCCNC(=O)Nc1csc(C)c1 880639474 JAERQPUERFKCOO-UHFFFAOYSA-N 236.340 2.982 30 20 BFED Cc1cc(C#N)nc(N2C[C@H](C)[C@H](C)[C@H]2C)c1 894236179 UYJOVKFOWJRDNA-SDDRHHMPSA-N 229.327 2.742 30 20 BFED C#C[C@H](NCc1cnc(F)cc1C)C(C)(C)C 894517141 FSRIAIIEQKGRNO-LBPRGKRZSA-N 234.318 2.667 30 20 BFED C=C1CC(c2noc(CC[C@H]3CCCO3)n2)C1 896883674 GXRJVZRLYQPGFC-LLVKDONJSA-N 234.299 2.615 30 20 BFED C=C1CC(c2noc(-c3ccc(OC)nc3)n2)C1 896890809 XFMUKCGVVRVHRS-UHFFFAOYSA-N 243.266 2.574 30 20 BFED C=CCC[C@H](NCCC(C)(C)SC)C(=O)O 901689675 HGPGQNWPLWTTOD-JTQLQIEISA-N 245.388 2.527 30 20 BFED C=CCC[C@H](NC[C@H](C)c1ccccc1)C(=O)O 901691659 BAMKOZUBHPLLNF-JSGCOSHPSA-N 247.338 2.799 30 20 BFED CCn1nccc1-c1csc(CC#N)c1 904753112 PAFVUJVDKTZAAI-UHFFFAOYSA-N 217.297 2.698 30 20 BFED C=CCOc1cccc(C=NNCC(C)C)c1 916366347 UFJIYRWVFLWLGX-UHFFFAOYSA-N 232.327 2.831 30 20 BFED CNC(=S)NN=C(CC(C)C)c1ccccc1 916581153 NQSFFBOQEWJPSB-UHFFFAOYSA-N 249.383 2.531 30 20 BFED Cc1nnc(NCC(C)(C)CCC#N)n1C1CC1 922662211 GXDSTFOPKBEVSO-UHFFFAOYSA-N 247.346 2.663 30 20 BFED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)C1(Cl)CC1 926343638 QRXKJQWFZMWHNZ-WOPDTQHZSA-N 243.778 2.717 30 20 BFED C=C(CC)CN1CCC(Cc2noc(C)n2)CC1 932243847 YODSMYBAQCHSAG-UHFFFAOYSA-N 249.358 2.599 30 20 BFED C#CCCCN[C@H](c1ccccn1)C1CC1 932381903 FWRATGAHRKXODC-AWEZNQCLSA-N 214.312 2.536 30 20 BFED CCC1(CNC(=O)c2cc(C#N)ccc2C)CC1 934245645 DJIYPRWBZRTNLK-UHFFFAOYSA-N 242.322 2.787 30 20 BFED C=CCCCNC(=O)Nc1noc2c1CCCC2 934357728 YBCOWKDXRZQJBT-UHFFFAOYSA-N 249.314 2.641 30 20 BFED C#CCCCC(=O)N1CC[C@H]2CCCC[C@H]2C1 1116779319 JXOHSFYTHOJXBV-KGLIPLIRSA-N 233.355 2.829 30 20 BFED C#CCN(Cc1ncoc1C(C)C)C(C)C 1119920945 MZOSRFVZRFKELW-UHFFFAOYSA-N 220.316 2.642 30 20 BFED C=C(C)CCC(=O)N1C[C@@H](CC)O[C@H](CC)C1 1120665312 XPKCGWFRCQBBJI-CHWSQXEVSA-N 239.359 2.759 30 20 BFED C=C(CC)C(=O)Nc1cccnc1OC(C)C 1123503096 JPEBSVFHMFDTLJ-UHFFFAOYSA-N 234.299 2.774 30 20 BFED N#Cc1cccc(N2CC(c3ccccc3)C2)n1 1149986893 RSTVXYCCLCZLDD-UHFFFAOYSA-N 235.290 2.557 30 20 BFED C=CC[C@@H](CC)NC(=O)c1ccc(Cl)[nH]1 1263817796 CXVJEOHOAKWSHT-MRVPVSSYSA-N 226.707 2.753 30 20 BFED C=C(Cl)CNC(=O)[C@H](CC#N)c1ccccc1 1293720019 ILVDOJNXVACCFL-GFCCVEGCSA-N 248.713 2.553 30 20 BFED C#CCCCCCC(=O)N[C@@H]1C=CCCC1 1319931479 MLCIBWKPVZHFHK-CYBMUJFWSA-N 219.328 2.795 30 20 BFED C#CCN(Cc1ccc(F)cc1C)CC1CC1 1320534333 WXDBPIJTOAIWCO-UHFFFAOYSA-N 231.314 2.979 30 20 BFED C=CCC[C@H](NCc1ccc(C)cc1C)C(=O)O 1320748859 MJBIFCVMFZMHSU-AWEZNQCLSA-N 247.338 2.812 30 20 BFED C#CCN(CC1CC1)C(=O)[C@@H]1CCC[C@H]1CC 1327981683 DNQOOXVEVLHHKR-ZIAGYGMSSA-N 233.355 2.685 30 20 BFED CO[C@H](C=NOC(C)(C)C)C1CCCC1 1328539752 WJAICLQQHBLRSV-LLVKDONJSA-N 213.321 2.993 30 20 BFED C=C[C@@H](COC)NCc1cccc2ncccc12 1330589886 WEWABUGYXAELQM-ZDUSSCGKSA-N 242.322 2.525 30 20 BFED C=CC[C@H](N[C@H](C)CCC=C(C)C)C(=O)O 1331931535 GSLMOKZNUINZBK-NEPJUHHUSA-N 225.332 2.740 30 20 BFED C#Cc1ccc(NC(=O)N[C@@H]2C=CCCC2)cc1 1334698212 AXKOTHFNRZPGQK-CYBMUJFWSA-N 240.306 2.898 30 20 BFED Cc1cccc2nc(N3CCC[C@@H](C#N)C3)oc12 1336837367 SUZXTGYMGRIQCV-NSHDSACASA-N 241.294 2.876 30 20 BFED C=C(C)CCC(=O)N1CCS[C@@H](C)[C@H]1C 1338853356 WFROECPTUCHUPN-MNOVXSKESA-N 227.373 2.695 30 20 BFED CC#CCCCC(=O)N1CC(C)(C)C1(C)C 1342691146 JKBYJFATOPRQJS-UHFFFAOYSA-N 221.344 2.827 30 20 BFED C=C[C@@H](COC)NC(=O)[C@@H](CC)CCCCC 1342745476 VGBVNCGMDRJNEJ-STQMWFEESA-N 241.375 2.910 30 20 BFED Cc1ccccc1-c1nnc(C2(C#N)CCC2)o1 1345514232 RTZUACCFYAIETF-UHFFFAOYSA-N 239.278 2.990 30 20 BFED C#CCN(CC1CC1)C(=O)c1ccc(CF)cc1 1347739809 BDTBNWYIQRRESY-UHFFFAOYSA-N 245.297 2.642 30 20 BFED C=C(C)CCC(=O)O[C@H](C)CCN1CCCC1 1350300514 JZBIBYNQZQULRV-CYBMUJFWSA-N 239.359 2.760 30 20 BFED C=CC[C@H]1CCCN(C(=O)C(=C)CC)C1 1352433025 CNCQQDINMTVRDF-LBPRGKRZSA-N 207.317 2.767 30 20 BFED C=C(CC)C(=O)N[C@H](C)c1ccccc1O 1352586770 UYXFXAPWMJHBJD-SNVBAGLBSA-N 219.284 2.536 30 20 BFED CCc1ccc(N2CCC[C@](C)(C#N)C2)nc1 1354157268 PXFSUISLJRLAKJ-CQSZACIVSA-N 229.327 2.774 30 20 BFED C#CC[C@@H](C)OC(=O)c1nc(Cl)sc1C 1524781217 WGUNYPLAHHVYPS-ZCFIWIBFSA-N 243.715 2.674 30 20 BFED Cc1occc1CN(C)c1ncc(C#N)cc1F 1559087540 QLKFAJIDBYUMNP-UHFFFAOYSA-N 245.257 2.630 30 20 BFED CCN(Cc1ccccc1)C[C@H](C)C#N 31945878 YSSOSSFVDDNUIZ-GFCCVEGCSA-N 202.301 2.668 30 20 BFED CN(Cc1cccc(C#N)c1)Cc1ccccn1 35237067 OLUCTQJQZDNLEM-UHFFFAOYSA-N 237.306 2.585 30 20 BFED C=C(Cl)COc1ccc([C@H](C)O)cc1 35626419 GFMRGFIFILCFCP-VIFPVBQESA-N 212.676 2.871 30 20 BFED CCC(CC)C(=O)N[C@H](C#N)c1ccccc1F 49836218 DPATVMQMRQOHJJ-CYBMUJFWSA-N 248.301 2.943 30 20 BFED C[C@@H](c1cc(F)ccc1F)N(C)CCC#N 51407574 QAIDMLYZSIIDGW-VIFPVBQESA-N 224.254 2.871 30 20 BFED C[C@H](C#N)CNC(=O)c1cc2ccccc2s1 54157502 DGDLSZQRYKZDTM-SECBINFHSA-N 244.319 2.791 30 20 BFED N#CCCCOC(=O)CCCOc1ccccc1 58817623 JXCJXULJWIRCNW-UHFFFAOYSA-N 247.294 2.693 30 20 BFED C=CCOC(=O)c1ccc(Cl)cc1OC 64148087 QDANZTVSYVICPT-UHFFFAOYSA-N 226.659 2.691 30 20 BFED Cc1nnc(NCC2(C)CCCC2)c(C#N)c1C 66468040 PAVKAOUSEKPGTR-UHFFFAOYSA-N 244.342 2.957 30 20 BFED C[C@@H](CC1CC1)NC(=O)C1(C#N)CCCCC1 70104302 YPQYDLBHSVUFEE-NSHDSACASA-N 234.343 2.765 30 20 BFED C=CCCCN(CC(=O)O)c1ccccc1 70593046 STECPXOJPLXNHL-UHFFFAOYSA-N 219.284 2.544 30 20 BFED C=CCCCO/N=C(/N)c1ccc(F)c(F)c1 77239208 OPVXVFZRGAAKJJ-UHFFFAOYSA-N 240.253 2.568 30 20 BFED C[C@H](Sc1cccc(F)c1C#N)[C@@H](C)O 78583023 JGVIRGFIMDUVES-SFYZADRCSA-N 225.288 2.559 30 20 BFED CC[C@H](C(=O)N[C@H](C#N)C(C)C)c1ccccc1 79843800 KLIJLLUKFSZKOZ-UONOGXRCSA-N 244.338 2.845 30 20 BFED N#Cc1cc(C(=O)N2CCCCCC2)ccc1F 82271765 OSANFHOXDWEIIS-UHFFFAOYSA-N 246.285 2.714 30 20 BFED CCC1(C)CCN(C(=O)C2(C#N)CCC2)CC1 83798148 GCVJBQCBWPQBPW-UHFFFAOYSA-N 234.343 2.719 30 20 BFED CC[C@H](C#N)OC(=O)[C@H](C)c1cccc(F)c1 84708959 VCPFTABOLNRFIB-BXKDBHETSA-N 235.258 2.775 30 20 BFED C[C@H](CCc1ccco1)NCC1(CC#N)CC1 88249800 SAVNHTCJQKGYHO-GFCCVEGCSA-N 232.327 2.884 30 20 BFED N#Cc1ccc(CN[C@@H]2CC=CCC2)c(F)c1 88748513 JUYGFPDPWKRZSX-CYBMUJFWSA-N 230.286 2.896 30 20 BFED C=CCN(C)C[C@H](C)Cc1ccc(OC)cc1 90617285 QQIBXAADESVVFD-CYBMUJFWSA-N 233.355 2.992 30 20 BFED C#Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H]2C)c1 104989208 DTMCDNGKMOLGBE-SMDDNHRTSA-N 242.322 2.978 30 20 BFED CC[C@H](CC#N)NC(=O)c1ccc2cc[nH]c2c1 107928767 IDNSZAVBICYTME-GFCCVEGCSA-N 241.294 2.590 30 20 BFED CCCCCCCC(=O)NC[C@@H](CC)C(=O)O 114923016 FSNSPSKOGGBFMA-LLVKDONJSA-N 243.347 2.574 30 20 BFED CC(C)[C@@H](CCO)N[C@@H](C)c1ccc(C#N)cc1 125658972 PGRGWJTYDKASCY-SWLSCSKDSA-N 246.354 2.616 30 20 BFED C=C[C@@H](C)NC(=O)N[C@@H](C)CCc1ccccc1 128313974 XGHZZAVBYILQGW-OLZOCXBDSA-N 246.354 2.881 30 20 BFED CC#CCOC(=O)[C@@H](CC)OC1CCCCC1 131005365 WZRBOLCCEOMQHX-CYBMUJFWSA-N 238.327 2.681 30 20 BFED CSCC[C@](C#N)(C(C)=O)c1ccccc1 131678946 BXWLHEXLUAKEPL-ZDUSSCGKSA-N 233.336 2.790 30 20 BFED C=CCCC(=O)Nc1cccc(-c2ncc[nH]2)c1 134820717 XKKVGXYRUYDHAS-UHFFFAOYSA-N 241.294 2.981 30 20 BFED C[C@H](CCc1ccco1)NCc1ccc(C#N)o1 135130547 WZONSNVZKHSPMX-LLVKDONJSA-N 244.294 2.855 30 20 BFED C=C[C@](C)(CC)C(=O)NCc1cncc(C)c1 135153171 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C#C[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccc(F)cc1 186048044 DZCNZSDVCHLUTP-MNOVXSKESA-N 248.301 2.550 30 20 BFED CCCCC[C@H](C)NCc1cc(C#N)n(C)c1 189581228 TWPVELFBNOXPHF-LBPRGKRZSA-N 233.359 2.955 30 20 BFED CCC(C)(C)NC(=O)c1ccccc1OCC#N 194081143 DEIKFBLSLHIWGP-UHFFFAOYSA-N 246.310 2.507 30 20 BFED CC[C@@H]1CCC[C@@H](Nc2nccc(C#N)n2)C1 231902656 VAPANFVVQGMMEK-GHMZBOCLSA-N 230.315 2.729 30 20 BFED C[C@H]1[C@H](C)CCN1Cc1ccc(C#N)cc1F 248345425 MTSXVUXNWXKTKP-MNOVXSKESA-N 232.302 2.928 30 20 BFED CC[C@](C)(C#N)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 252502354 HLIRXHNBEJXWPJ-FMCLSXCISA-N 236.359 2.867 30 20 BFED CC[C@@H](C#N)C(=O)N(C)Cc1ccc(C)c(C)c1 258820737 QXJFPQFNCMYARR-AWEZNQCLSA-N 244.338 2.812 30 20 BFED CC[C@@]1(C)CCCN(c2ccc(C#N)cn2)C1 266219296 PYPSQQVATYKJAE-AWEZNQCLSA-N 229.327 2.970 30 20 BFED CC(C)Cc1noc(C2(C#N)CCCC2)n1 267029707 AUROJOHLMQUTRB-UHFFFAOYSA-N 219.288 2.603 30 20 BFED C#CCCCSc1nnc(OC(C)C)s1 270877044 NRVVCULVYMHLSF-UHFFFAOYSA-N 242.369 2.831 30 20 BFED C[C@@H](NCCCC#N)c1ccc(Cl)nc1 273290146 RZZMCKGMLWYACB-SECBINFHSA-N 223.707 2.689 30 20 BFED C=CCCCCNC(=O)C[C@@H](C)SC 274485782 PSSBAHGKKQVHIW-SNVBAGLBSA-N 215.362 2.601 30 20 BFED C=C(C)CCSc1nnc(C2CC2)[nH]1 274770910 UTXMHFDQYYOSGL-UHFFFAOYSA-N 209.318 2.740 30 20 BFED C=CCC[C@H](NC1CCN(C)CC1)c1ccco1 276426478 ICVGTGODBSYWOF-AWEZNQCLSA-N 248.370 2.971 30 20 BFED C#Cc1cccc(N(C)C(=O)CC(C)(F)F)c1 276992320 IQEJGTWUVVYGCE-UHFFFAOYSA-N 237.249 2.676 30 20 BFED CC#CC(=O)N(CC)Cc1ccccc1Cl 277429203 MVCQQQZQMTZWOW-UHFFFAOYSA-N 235.714 2.712 30 20 BFED C=CC[C@H](C)NC(=O)N(C)C1CCCC1 282929786 HXWLCJRPLDNRNT-JTQLQIEISA-N 210.321 2.535 30 20 BFED C=C(C)CN1CCCC[C@@H]1c1cc[nH]n1 285415715 PUFASTAEICEFNW-GFCCVEGCSA-N 205.305 2.513 30 20 BFED N#Cc1cc(NC[C@H]2CCC(F)(F)C2)ccn1 287628263 HBGSKQWLBFUFFS-VIFPVBQESA-N 237.253 2.801 30 20 BFED C#Cc1ccc(CNCCCSC)cc1 290487754 VSFUQUJUFJCGBS-UHFFFAOYSA-N 219.353 2.511 30 20 BFED C=CCCC(=O)N1CC(C)(C)[C@@H]1c1ccncc1 293740500 BCNSUXLWHJBNMX-AWEZNQCLSA-N 244.338 2.957 30 20 BFED C=CC[C@H](C)NC(=O)c1ccc(C2CC2)nc1C 295335131 UJEZTJOWSZESPV-JTQLQIEISA-N 244.338 2.962 30 20 BFED C=CCCc1noc(C[C@@H](OCC)C(=C)C)n1 297222727 HITHTMPLMGVRMP-LLVKDONJSA-N 236.315 2.712 30 20 BFED Cc1ccc(N(C)C(=O)CSCC#N)cc1C 298871305 QXFNUYVDHJSHES-UHFFFAOYSA-N 248.351 2.523 30 20 BFED CCC[C@H]1[C@H](C)CCCN1c1ccc(C#N)nn1 301981866 YAVVVOCMNHZFFI-YPMHNXCESA-N 244.342 2.753 30 20 BFED Cc1ccc(N2CCS[C@@H](C)CC2)nc1C#N 302704496 BZBUKLAGESPLOP-NSHDSACASA-N 247.367 2.594 30 20 BFED C=C(C)CN(C)C[C@H](O)c1ccc(F)cc1F 305838255 XWHRTMNNSPRMIC-ZDUSSCGKSA-N 241.281 2.506 30 20 BFED C=CCC[C@H](O)CN[C@@H](CC)C(C)(C)C 309218410 UTWBXJZCVJJGGY-RYUDHWBXSA-N 213.365 2.728 30 20 BFED Cc1ccc(C(=O)NCC(C)(C)CC#N)cc1F 316008767 RQNMGVYAFCMQHB-UHFFFAOYSA-N 248.301 2.804 30 20 BFED N#CCC1(C/N=C(/O)c2conc2C2CC2)CC1 329738821 UOEGKVBEBDTLOM-UHFFFAOYSA-N 245.282 2.550 30 20 BFED C=C[C@@H](C)NC(=O)c1cc(F)c(F)cc1Cl 334377455 GFUREUMTPMIKTA-ZCFIWIBFSA-N 245.656 2.923 30 20 BFED CC(C)[C@H]1CCN1c1ccc(Cl)c(C#N)n1 334667123 MNEIMRIQPCFPBN-LLVKDONJSA-N 235.718 2.841 30 20 BFED Cc1c(Cl)cncc1NC(=O)[C@@]1(C#N)C[C@@H]1C 334690641 UVWYNUFCKBWUIZ-JVXZTZIISA-N 249.701 2.532 30 20 BFED N#CCC1CCN(C[C@H]2CC=CCC2)CC1 334831897 JQWUIORXYLPAKL-AWEZNQCLSA-N 218.344 2.968 30 20 BFED C[C@@H]1CCC[C@]1(C)C(=O)Nc1cccc(C#N)n1 335374629 FIBADKOSTJIOFY-YGRLFVJLSA-N 243.310 2.718 30 20 BFED Cc1oc(C#N)cc1C(=O)N1CCCC12CCC2 335411502 IGAFJHRQNIZKNA-UHFFFAOYSA-N 244.294 2.618 30 20 BFED CN(C(=O)N[C@@H]1CC[C@H](C#N)C1)C1CCCCC1 335505588 VDGFJOKCORPTBI-NWDGAFQWSA-N 249.358 2.653 30 20 BFED CC1(C#N)CCN(CC2(C)CCC2)CC1 335570802 JJYOZIANIIKKNC-UHFFFAOYSA-N 206.333 2.802 30 20 BFED C=CC(C)(C)C(=O)N[C@@H]1COCc2ccccc21 335653400 BIJXKAMSMNAANA-CYBMUJFWSA-N 245.322 2.586 30 20 BFED CC[C@H]1CCCN1c1ncc(C#N)cc1Cl 335897940 GLGXBOKCWBUTFN-JTQLQIEISA-N 235.718 2.985 30 20 BFED C[C@H]1CC=C(C(=O)N(C)C2(C#N)CCC2)CC1 336090782 RGNDNCXXZJZDBN-NSHDSACASA-N 232.327 2.637 30 20 BFED N#Cc1c(F)cccc1CN1CCC12CCC2 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2.551 30 20 BFED CC(=O)c1ccc(OCC2(C#N)CC2)c(C)c1 349143673 NBIQCBMSCBXRAS-UHFFFAOYSA-N 229.279 2.880 30 20 BFED CC1(C)C[C@H]1CNC(=O)c1cccc(CC#N)c1 352291022 VYGLVFMJEKXDPL-ZDUSSCGKSA-N 242.322 2.529 30 20 BFED C=CCC(C)(C)CNC(=O)COC1CCCC1 352503473 GUZSLGCLYMJPGO-UHFFFAOYSA-N 239.359 2.664 30 20 BFED C=C1CCN(Cc2ccccc2C(=O)OC)CC1 353319039 AXVDORQSRORHMK-UHFFFAOYSA-N 245.322 2.625 30 20 BFED C=CCOCCCC(=O)N(CC)CC1CCC1 358176735 ZDSKRKCYSIKBRB-UHFFFAOYSA-N 239.359 2.618 30 20 BFED CC[C@H](C)N(C)C(=O)NCC(C)(C)CCC#N 358706267 JJWSALBATICAKU-NSHDSACASA-N 239.363 2.756 30 20 BFED C#Cc1cc(F)c(NCCC=C)c(F)c1 380160702 BECDYSHCHPZMDA-UHFFFAOYSA-N 207.223 2.934 30 20 BFED C=C[C@@H](Oc1ccc(Cl)cc1F)C(=O)OC 380797226 IUAIOLZDNGLVCM-SECBINFHSA-N 244.649 2.586 30 20 BFED C=CC(C)(C)CNCc1cccc2c1OCCO2 384938785 ACWORFWZRQJMDN-UHFFFAOYSA-N 247.338 2.760 30 20 BFED N#C[C@H]1CC[C@@H](Nc2cccc(Cl)n2)C1 389995353 QGDGTBFXKWFVIZ-DTWKUNHWSA-N 221.691 2.839 30 20 BFED C[C@@H](CC#N)NCCCCc1ccccc1 390194533 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221.300 2.541 30 20 BFED C=CC(C)(C)CNC(=O)N[C@@H]1CCC[C@H]1C 454472736 WNACQSYMNHUSTH-GHMZBOCLSA-N 224.348 2.686 30 20 BFED C=CCCCCNC(=O)N[C@@H]1CCC[C@@H]1F 454819647 UJIDOUGGHIKLPY-WDEREUQCSA-N 228.311 2.533 30 20 BFED C=CC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1cccnc1 456127697 YJPXNIVEYHIANP-QWHCGFSZSA-N 244.338 2.514 30 20 BFED C=CC(C)(C)C(=O)Nc1cccc(CC#N)c1 456751821 NYISWRGYFFSGOK-UHFFFAOYSA-N 228.295 2.903 30 20 BFED C=C(CC)CNC(=O)c1cc(O)nc(C(C)C)c1 456810690 GICNFAFKLVRRRD-UHFFFAOYSA-N 248.326 2.607 30 20 BFED CC(C)(C#N)CCN[C@H]1CCC[C@@H]2C[C@H]12 459789711 RTJVBNNZTWLCQA-WOPDTQHZSA-N 206.333 2.704 30 20 BFED C=CCCCCNC(=O)c1ccc(C#N)s1 471708899 ISUNIGYWWNFBKK-UHFFFAOYSA-N 234.324 2.706 30 20 BFED C=C[C@@H]1CCCCN1Cc1nc(C(C)C)no1 489438675 PHUCQCQZGIITLG-LLVKDONJSA-N 235.331 2.734 30 20 BFED C#C[C@H](NC(=O)[C@H](SCC)C(C)C)C(C)C 490627645 DLTQBTCPVAYQBW-NWDGAFQWSA-N 241.400 2.538 30 20 BFED C#C[C@@H](NC(=O)N1CCC(C=C)CC1)C(C)(C)C 491700988 UERXUKHEBRCCET-CYBMUJFWSA-N 248.370 2.642 30 20 BFED 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MICVNRKQHRBICT-UHFFFAOYSA-N 242.344 2.617 30 20 BFED C=CCC[C@H](C)NCC[C@H](O)C1CCCC1 866636731 BFDQOUWSARZANA-JSGCOSHPSA-N 225.376 2.872 30 20 BFED CC[C@H](C)NN=C1CCCc2ncccc21 872368814 QLWXVDMXWQIHOY-JTQLQIEISA-N 217.316 2.510 30 20 BFED CC(=NN1CCC1)c1cnc2ccsc2c1 872396789 NIKHJJXBKUULOU-UHFFFAOYSA-N 231.324 2.726 30 20 BFED C=CC(C)(C)CC(=O)N(C)c1ccc(N)cc1 884441804 PZZZFIXOSFCXDM-UHFFFAOYSA-N 232.327 2.834 30 20 BFED N#Cc1ccc2nc(N3C[C@@H]4C[C@H]4C3)ccc2c1 884588201 AWAFTIXCHZUHTD-STQMWFEESA-N 235.290 2.563 30 20 BFED C=CC(C)(C)CC(=O)Nc1cccnc1 887877043 ZJQNLOCOOCUXMW-UHFFFAOYSA-N 204.273 2.622 30 20 BFED CC[C@H](C#N)C(=O)N(C)Cc1c(C)cccc1C 887957456 ASKKDOHZCPPLLX-CYBMUJFWSA-N 244.338 2.812 30 20 BFED C=CC1(OC(=O)c2ccc(N(C)C)cc2F)CC1 893362940 PSAORAYTAKQDSV-UHFFFAOYSA-N 249.285 2.767 30 20 BFED N#C[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCC1 893704530 GICRBVOMRNBRAX-SCUASFONSA-N 246.354 2.621 30 20 BFED CSc1ccc(CN(C)C[C@@H](C)C#N)o1 893961043 CASIICXHQRKIQG-VIFPVBQESA-N 224.329 2.593 30 20 BFED C(=NNC1CCCC1)c1cnn(CC2CCC2)c1 901183381 PACAJNZQBAFPMP-UHFFFAOYSA-N 246.358 2.549 30 20 BFED O[C@@H]1CCCC[C@H]1NN=C1CCCC12CCC2 901334310 JVWRYUJPQFJWKV-VXGBXAGGSA-N 236.359 2.590 30 20 BFED CCCCN(O)C(=O)[C@@]1(C)CC=CCC1 904214534 CCTOCOIRQMKELU-LBPRGKRZSA-N 211.305 2.751 30 20 BFED Cc1ccccc1OCC(=O)OCCCCC#N 912956712 SWEVCCOLZAYCAK-UHFFFAOYSA-N 247.294 2.611 30 20 BFED CC(CCc1ccccc1)=NNc1ncccn1 912973253 OCXQTMCRLGWYCZ-UHFFFAOYSA-N 240.310 2.897 30 20 BFED C(=NNc1nccc2sccc12)[C@H]1CCOC1 915979907 LAUDLKPDZRGEFX-SECBINFHSA-N 247.323 2.731 30 20 BFED Cc1ccnc(S[C@H](C#N)C2CC2)c1 918813967 ASIHCDXTQPNHNP-SNVBAGLBSA-N 204.298 2.784 30 20 BFED Cc1nc(Cl)n(CCCCC(C)(C)C#N)n1 919741040 UIBRCEAPQMWFEH-UHFFFAOYSA-N 240.738 2.960 30 20 BFED C=C(C)CN(CC)C(=O)c1scnc1Cl 920080105 AEVVRQKRBHYOFQ-UHFFFAOYSA-N 244.747 2.835 30 20 BFED C=CCCCOC(=O)[C@@H]1CCO[C@H](C(C)C)C1 924305487 GBFKIBMFMWKZHE-OLZOCXBDSA-N 240.343 2.947 30 20 BFED C=CC[C@H](C)[C@H](C)NCC[C@@H](O)CCC 927027343 MOZLYMRBXNWYJM-AVGNSLFASA-N 213.365 2.728 30 20 BFED C[C@@H](C(=O)N1CCC[C@@H](C#N)C1)c1ccsc1 928219639 AEQBLOZWALBESV-MNOVXSKESA-N 248.351 2.614 30 20 BFED C#CCN(Cc1cc(C)cc(C)n1)C(C)C 932386100 NQNPKFQEBWYGJA-UHFFFAOYSA-N 216.328 2.542 30 20 BFED C=C[C@@H](CC)CC(=O)NCC(C)(C)C[C@@H](C)O 933845413 DIDHPHYNVYUTMG-NEPJUHHUSA-N 241.375 2.502 30 20 BFED C=CCC1(c2nnc(-c3cnccn3)o2)CCC1 1118138689 YJHGKZOVUGAQNO-UHFFFAOYSA-N 242.282 2.524 30 20 BFED C=CCCCc1nnc(-c2cccn2C)o1 1118355537 MORTXTYWXWWOKF-UHFFFAOYSA-N 217.272 2.584 30 20 BFED CC[C@@](C)(C#N)C(=O)OCc1ccc(C#N)s1 1118397709 GRMIXPXUAMJKKV-LBPRGKRZSA-N 248.307 2.603 30 20 BFED C/C=C(/C)C(=O)NCCNCCCCCCC 1125448898 BQCIJROTHYRYNU-ACAGNQJTSA-N 240.391 2.629 30 20 BFED C=CCC1(c2nnc([C@@H]3CCO[C@@H]3C)o2)CCC1 1261491448 VUMCCZAGFSNBTC-GHMZBOCLSA-N 248.326 2.960 30 20 BFED C[C@H]1C[C@H](C)N(C(=O)c2ccc(C#N)cc2F)C1 1262611401 YQNPYHRLMDQAPV-UWVGGRQHSA-N 246.285 2.568 30 20 BFED C#CCN(CC1CC1)C(=O)[C@H]1CCC(C)(C)C1 1319988225 WRXBNZHFMKNSPO-ZDUSSCGKSA-N 233.355 2.685 30 20 BFED C=CCCCOC(=O)c1ccc2c(c1)CCOC2 1328007906 DWCISTHNBJIMNC-UHFFFAOYSA-N 246.306 2.882 30 20 BFED C#Cc1ccc(N2CCC(F)(F)[C@@H](C)C2)nc1 1337179198 MXNKUXXSGJCKIV-JTQLQIEISA-N 236.265 2.544 30 20 BFED C=CCn1c(C(F)F)nnc1N(CC)CCC 1339829592 LRHTXYSDHICPFJ-UHFFFAOYSA-N 244.289 2.638 30 20 BFED C=C(C)CCC(=O)O[C@@H]1CCN2CCC[C@@H]2C1 1343533832 QQFAKHWODRWNGZ-CHWSQXEVSA-N 237.343 2.513 30 20 BFED CC(C)CC(=O)O[C@@H](C)CC#Cc1cccnc1 1345045998 SAPPEMLWZBNKDE-ZDUSSCGKSA-N 245.322 2.801 30 20 BFED CC(C)(O)CCSc1c(C#N)cccc1C#N 1346540490 MKSRRFYADLHVBI-UHFFFAOYSA-N 246.335 2.683 30 20 BFED C=C(C)CCNC(=O)C(F)(F)c1ccccc1 1348008759 CZZJAPYNRGJKFW-UHFFFAOYSA-N 239.265 2.861 30 20 BFED CCC(CC)[C@@H](C)C(=O)[C@@H](C#N)c1nccn1C 1356567164 KYYWOPKFXPMKLV-ZYHUDNBSSA-N 247.342 2.669 30 20 BFED C=CCC(C)(C)COC(=O)/C=C\c1cn(C)cn1 1518960466 IOVPZSVZTPGKRC-SREVYHEPSA-N 248.326 2.579 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)[C@@H]1[C@@H](C)C1(F)F 1529194978 IMMNGUAHCRXYRI-MXWKQRLJSA-N 243.297 2.845 30 20 BFED C=C[C@@H](Sc1ncc(Cl)s1)C(=O)O 1588715310 VCIVFQZMZQABIM-SCSAIBSYSA-N 235.717 2.528 30 20 BFED C=C[C@H](C)N[C@H](C)c1cc(C(=O)O)cs1 1602812089 ADRNKUBIKXJHHF-JGVFFNPUSA-N 225.313 2.671 30 20 BFED N#Cc1ncccc1SCCc1cccnc1 1656553609 RZVLPMUNVURMSY-UHFFFAOYSA-N 241.319 2.683 30 20 BFED Cc1cccnc1[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 1660606777 FEKPIHBVAHDICQ-YNEHKIRRSA-N 229.327 2.733 30 20 BFED C=CC[C@@]1(C(=O)O)CCCN(CC2CCC2)C1 1776153429 KDDUGSURJKSCPR-CQSZACIVSA-N 237.343 2.529 30 20 BFED C=CCN(CCC(=O)O)Cc1ccccc1CC 1776178283 RIWOCBYKVDFWGT-UHFFFAOYSA-N 247.338 2.712 30 20 BFED Cc1cc(C#N)nc([C@H](C)c2ccccc2)n1 1898208081 JIEACBNOMABCPG-LLVKDONJSA-N 223.279 2.809 30 20 BFED Cc1ccc(-c2ncnc(C#N)c2F)cc1C 1898217208 MZSAXHUWRTUIHP-UHFFFAOYSA-N 227.242 2.771 30 20 BFED CN(CCC#N)Cc1cc2ccccc2o1 3162936 IDOKWVBLWGXNMO-UHFFFAOYSA-N 214.268 2.778 30 20 BFED O=C(O)c1cccc(NN=C2CCCC2)c1 6673774 DPSRBSCYVFAFRG-UHFFFAOYSA-N 218.256 2.727 30 20 BFED C[C@H](NC1CCC(O)CC1)c1ccc(C#N)cc1 19918651 BFTWGPLGPBYBQB-QGLTVNCISA-N 244.338 2.512 30 20 BFED CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)CC#N 20466501 YQXLFXGCCUNCPI-MNOVXSKESA-N 222.332 2.621 30 20 BFED CC[C@H](C)CNCc1cccc(C#N)c1 37748773 DEQGPXBHMOGKSA-NSHDSACASA-N 202.301 2.694 30 20 BFED N#Cc1cccc(CNC2Cc3ccccc3C2)c1 37748840 RFUCDNUKVHOZHW-UHFFFAOYSA-N 248.329 2.815 30 20 BFED CCc1ccc(C(=O)N(CC)C[C@@H](C)C#N)cc1 42296260 ZHZFAOAZYLBKIV-LBPRGKRZSA-N 244.338 2.871 30 20 BFED CCc1nc(NC(=O)[C@H](C#N)CC)sc1C 44825190 QVNHKJAZTSVJEQ-QMMMGPOBSA-N 237.328 2.502 30 20 BFED CN(C(=O)C[C@H]1C=CCC1)c1cccc(C#N)c1 63325789 UPEAHPHRQGGTKM-LBPRGKRZSA-N 240.306 2.877 30 20 BFED CN(CCC(F)(F)F)c1ccc(C#N)cc1 70987918 JINRWVJFFMOPSQ-UHFFFAOYSA-N 228.217 2.947 30 20 BFED CC1(C)CCC[C@@H]1NC(=O)c1cc(C#N)cs1 84190609 NZZYKINQELVYPP-NSHDSACASA-N 248.351 2.928 30 20 BFED N#CC1(C(=O)N2CCC[C@@H]3CCC[C@H]32)CCCC1 87771191 ULQVIAUONHCEJS-QWHCGFSZSA-N 246.354 2.861 30 20 BFED Cc1cscc1C(=O)Nc1ccc(C#N)cn1 94247599 RYFFNKOIUQSRDK-UHFFFAOYSA-N 243.291 2.576 30 20 BFED Cc1ccc(C(=O)NC2CCCCC2)cc1C#N 96617991 RAWCRBHMPBUGJR-UHFFFAOYSA-N 242.322 2.929 30 20 BFED Cc1cccc(C(=O)/C=C\c2cnn(C)c2)c1 98054281 SWZUKGSWXZIAQZ-SREVYHEPSA-N 226.279 2.625 30 20 BFED C=CCCC(=O)NCCC1=CCCCC1 102214831 YVWSHTCTTQKGLT-UHFFFAOYSA-N 207.317 2.959 30 20 BFED C#CCNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 105672295 ZJIGPXBMVKNIPV-PYCGDYPRSA-N 245.366 2.732 30 20 BFED C[C@@H](CC#N)NC(=O)C[C@@H]1CCc2ccccc21 115350614 SNQVYACFLWWQFU-AAEUAGOBSA-N 242.322 2.525 30 20 BFED C=CC[C@H](C)NC(=O)C1(c2ccccc2)CC1 116860509 OPWRUNWBPYIJAU-LBPRGKRZSA-N 229.323 2.799 30 20 BFED CCCN(CC#N)CCOc1c(C)cccc1C 118004518 QZLNWKOJJYSHBN-UHFFFAOYSA-N 246.354 2.918 30 20 BFED CC#CCNC(=O)CCCC1CCCCC1 121000392 ACDDBSKTYXRUAJ-UHFFFAOYSA-N 221.344 2.877 30 20 BFED Cc1nn(-c2cc(C#N)cc(Cl)n2)c(C)c1C 122890554 ZYNVSKWYGXSRNW-UHFFFAOYSA-N 246.701 2.718 30 20 BFED C=C(Cl)CN1CCc2sccc2C1 123477068 IOPNTTFJMHFTFH-UHFFFAOYSA-N 213.733 2.859 30 20 BFED C=CCCOC(=O)c1ccc(OCC)cc1 126618456 PXTVDAYUBAXDNB-UHFFFAOYSA-N 220.268 2.818 30 20 BFED C=CCN(CC(=O)OC)[C@@H](CC)c1ccccc1 136112867 AKDJXMMLEZSXAR-AWEZNQCLSA-N 247.338 2.799 30 20 BFED C#CCN(C)C(=O)c1cc2cc(Cl)ccc2[nH]1 140056152 KFYRKFFNECVMOA-UHFFFAOYSA-N 246.697 2.527 30 20 BFED C=CCN(CC=C)C(=O)NCCC1CCC1 152036069 BPKBEGDMMWXQJC-UHFFFAOYSA-N 222.332 2.560 30 20 BFED C[C@H](c1cc2ccccc2o1)N(C)C(=O)CC#N 153537523 OWPXBJYRYVECEQ-SNVBAGLBSA-N 242.278 2.866 30 20 BFED C=CCN(C)C(=O)N[C@H]1C[C@H]1C1CCCCC1 155104921 VOCTZLSYXRWQIF-STQMWFEESA-N 236.359 2.783 30 20 BFED C=CCCOCCNC(=O)C[C@H]1CC[C@H](C)C1 155519713 AUVOIVUAIWUAEX-STQMWFEESA-N 239.359 2.522 30 20 BFED C=C(C)CNC(=O)N[C@H](C)C[C@@H](C)CC 156358341 WBHMZWAMQMBLJW-WDEREUQCSA-N 212.337 2.686 30 20 BFED C=CCCCON=C1CCC2(CC1)OCCO2 156945918 SVHBPPGDNLDLAY-UHFFFAOYSA-N 239.315 2.642 30 20 BFED C=CCN(C)C(=O)C[C@@H]1CCC[C@@H](C)C1 161614440 VIZTXZIIEMYVHY-VXGBXAGGSA-N 209.333 2.847 30 20 BFED Cc1cccc(C(=O)NCCCC#N)c1Cl 162884254 GLHUSECEXZSELW-UHFFFAOYSA-N 236.702 2.682 30 20 BFED CCCCCCC(=O)N[C@H](C#N)C(C)C 169266305 GYDVLFWEMBSFMH-LLVKDONJSA-N 210.321 2.621 30 20 BFED CC/C=C(\C)C(=O)Nc1ccc(F)c(C#N)c1 170845179 GQXNQUOEAUFDCL-RUDMXATFSA-N 232.258 2.992 30 20 BFED Cc1ccc(F)c(C(=O)N[C@](C)(C#N)C(C)C)c1 171406183 HQAZFSQESVCDDK-CQSZACIVSA-N 248.301 2.802 30 20 BFED C#Cc1cccc(N(C)C(=O)CC2CCC2)c1 173055357 KJLRKTDQHBMWRH-UHFFFAOYSA-N 227.307 2.821 30 20 BFED CCC(CC)CN(CCC#N)C[C@@H]1CCCO1 173551259 IAIZGIJUFKZCRL-AWEZNQCLSA-N 238.375 2.817 30 20 BFED C=CCCCC(=O)NCC(O)(CCC)CCC 175962576 SIZLZQFGIDBCRE-UHFFFAOYSA-N 241.375 2.790 30 20 BFED C=CCCOc1cccc(NC(=O)OC)c1 177067542 JQMYWXAPPFGRSK-UHFFFAOYSA-N 221.256 2.820 30 20 BFED C[C@H]1C[C@H]1C(=O)OCC#Cc1ccc(Cl)cc1 177891754 WEXOQYOAZXKQJH-GXFFZTMASA-N 248.709 2.891 30 20 BFED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)CC#N 178650129 CRUKKPHCXYNWJC-AXFHLTTASA-N 248.351 2.578 30 20 BFED C#C[C@H](C)OC(=O)c1cnc2ccc(F)cc2c1 179128216 IYDYPPVJJHEWOB-VIFPVBQESA-N 243.237 2.552 30 20 BFED C#CCCCCC(=O)N(C)Cc1ccccc1 179607556 LYNGUBPXQFKCPO-UHFFFAOYSA-N 229.323 2.839 30 20 BFED C[C@@H](C#N)NC(=O)[C@@H](C)CCCc1ccccc1 180035219 DOUSNMMPDHKBKS-STQMWFEESA-N 244.338 2.674 30 20 BFED C=CCc1ccccc1OC[C@@H](C)OC 181541472 QBQVNIPAENATGM-LLVKDONJSA-N 206.285 2.829 30 20 BFED CC#CCCCC(=O)N1[C@H](C)CC[C@H]1C 185840348 UVJOKKYEMWQCJL-VXGBXAGGSA-N 207.317 2.579 30 20 BFED CCCc1cccc(CNC[C@H](C)C#N)c1 187377813 LFNYNLFJYOCRFL-GFCCVEGCSA-N 216.328 2.888 30 20 BFED Fc1ccc(/C=N/OCC[C@H]2CCCO2)cc1 189189970 PIQINFMSGVXJDS-QQFZQELXSA-N 237.274 2.745 30 20 BFED C=CCN(C)C(=O)NCC(C(C)C)C(C)C 194920843 UCJQBSZBQAHRPR-UHFFFAOYSA-N 226.364 2.742 30 20 BFED Cc1ccoc1C(=O)/C=C\c1cncs1 255501119 ADWFVEGVLJOWIV-IHWYPQMZSA-N 219.265 2.941 30 20 BFED CC(C)(C)C(C)(C)CNC(=O)C1(C#N)CCC1 258726123 ILTMPZLDDIZVSU-UHFFFAOYSA-N 236.359 2.869 30 20 BFED N#Cc1ccccc1CS[C@@H]1CCCOC1 272395225 DIZSUTDFYVVNHY-CYBMUJFWSA-N 233.336 2.970 30 20 BFED C=CCN(CCc1ccco1)C(=O)[C@@H](C)CC 272550716 SPNWYVOEQVXWEV-LBPRGKRZSA-N 235.327 2.883 30 20 BFED C=CCCCCNC(=O)c1noc2c1CCCC2 274673953 YMKXPYYNEQIYPD-UHFFFAOYSA-N 248.326 2.640 30 20 BFED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccccn1 280956929 YIRACGQTAXNQLE-YDHLFZDLSA-N 246.354 2.713 30 20 BFED CCC(C)(C)CNC(=O)c1cc(C#N)oc1C 281037249 NNFRIIBTLFCJSL-UHFFFAOYSA-N 234.299 2.626 30 20 BFED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1C 281381273 OJBKINLNUKUHPP-WDEREUQCSA-N 210.321 2.535 30 20 BFED C=C(C)CN1CCOc2ccc(C)cc2C1 285417877 DOHBHSOALYUJOQ-UHFFFAOYSA-N 217.312 2.766 30 20 BFED CC[C@@H](NCCCC#N)c1ccc(F)cc1O 285494335 AMQSQFQLHLZFQC-GFCCVEGCSA-N 236.290 2.876 30 20 BFED C=C(CNC(=O)[C@H]1CC1(C)C)c1ccccc1 286781414 QZVUJCUDMIZBLR-CYBMUJFWSA-N 229.323 2.862 30 20 BFED C=C(Cl)CNC(=O)c1ncsc1C(C)C 290647153 ZWGVIUDUSFXPEU-UHFFFAOYSA-N 244.747 2.749 30 20 BFED C[C@@H]1CC/C(=C\C(=O)N[C@]2(C#N)CC2(C)C)C1 291709075 OUWGQZBVZHEEBY-NCFHPSMTSA-N 232.327 2.541 30 20 BFED C=CCN(CCC#N)Cc1ccc(N(C)C)cc1 292058884 BWFORXNNSLSZDG-UHFFFAOYSA-N 243.354 2.654 30 20 BFED CC#CCN(C)C(=O)c1ccc(F)cc1Cl 294658478 UQRMMXMLFXIPQY-UHFFFAOYSA-N 239.677 2.574 30 20 BFED C#CCO[C@@H](C)c1nc(C(CC)CC)no1 297719329 NDQSBZLXASUUOE-VIFPVBQESA-N 222.288 2.684 30 20 BFED Cc1cc([C@H](C)Nc2ccc(C#N)nn2)c(C)o1 301836278 LUJOBMPOHDJBDZ-VIFPVBQESA-N 242.282 2.731 30 20 BFED C[C@H](C#N)OCCNc1ccc(C#N)cc1Cl 302306106 CBCILNRMHKHTPL-SECBINFHSA-N 249.701 2.552 30 20 BFED CCc1ccc(CNc2ncncc2C#N)s1 302540790 KWYYOXVARJFWHA-UHFFFAOYSA-N 244.323 2.584 30 20 BFED C=C[C@H](C)N[C@@H]1CCc2nc(Cl)ccc21 309007221 QHGPJZMKVPXQNB-WCBMZHEXSA-N 222.719 2.886 30 20 BFED C#Cc1ccc(CN[C@@H](C)C(C)C)cc1 309069519 CANGIKZXNFHIRM-LBPRGKRZSA-N 201.313 2.802 30 20 BFED C#Cc1ccc(CNC2(C3CC3)CC2)cc1 309561460 OXIAQSHUHJWAKO-UHFFFAOYSA-N 211.308 2.700 30 20 BFED C=CCC[C@H](C)N[C@@H](C)Cc1ccncc1 309574054 OKMHWYGNSKRUKA-STQMWFEESA-N 218.344 2.957 30 20 BFED Cc1cc(C#N)ccc1CN1CCC(F)(F)C1 313288141 GJEKDKUNRBNHGX-UHFFFAOYSA-N 236.265 2.708 30 20 BFED CC(C)(C(=O)N1CCC(C#N)CC1)C1CCC1 322464566 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30 20 BFED Cc1c(C#N)cccc1C(=O)N[C@H](C)CC1CC1 337813985 NRTWISJWFGDHGM-SNVBAGLBSA-N 242.322 2.785 30 20 BFED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1c1ccccc12 338741671 OAOTXIBPOYQJNE-WDMOLILDSA-N 240.306 2.607 30 20 BFED CC(C)[C@H](C(=O)N[C@H](C)C#N)c1ccc(F)cc1 339377598 BYAFIUPUPYBYFH-MFKMUULPSA-N 248.301 2.594 30 20 BFED CC#CCN(C)C(=O)C/C=C\c1ccccc1F 341036813 FWCWMMFASLKFKX-CLFYSBASSA-N 245.297 2.711 30 20 BFED C=CC[C@H](C)NC(=O)N[C@H](C)CCC1CC1 346106062 ZCXHDNDTMACDPU-WDEREUQCSA-N 224.348 2.829 30 20 BFED C=CCC(C)(C)c1noc(-c2cc(C)ncn2)n1 349723655 LCHBVWMRYYZXOC-UHFFFAOYSA-N 244.298 2.689 30 20 BFED CC1(C)CCCN(C(=O)[C@@H]2C[C@H]2C2CC2)[C@@H]1C#N 350684635 ZAJXKNGCGBHKFD-YNEHKIRRSA-N 246.354 2.573 30 20 BFED C[C@H]1C[C@@H]1CC(=O)N(C)Cc1ccc(C#N)cc1 352616369 QOHFSBKWWNNAPN-SMDDNHRTSA-N 242.322 2.563 30 20 BFED C=CC[C@@H](C)NC(=O)[C@@H]1CCCC1(C)C 355540465 YWKWJAFVACHDBT-MNOVXSKESA-N 209.333 2.894 30 20 BFED C=CCCC[C@H](C)NC(=O)[C@@H]1CCCSC1 355653895 ABCAKVORDBMNSA-NWDGAFQWSA-N 241.400 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215.300 2.642 30 20 BFED CCc1ccc(NC(=O)CC(C)(C)C#N)nc1 882721269 CBERYTLHYRFILT-UHFFFAOYSA-N 231.299 2.522 30 20 BFED C=CCN(CC=C)c1cc(C(F)F)ncn1 891407658 DELZXHLDDDZOQU-UHFFFAOYSA-N 225.242 2.593 30 20 BFED C=C1CCN(C(=O)N[C@H]2CCC[C@H](C)C2)CC1 892033144 YUMOFGWQMZTTHP-STQMWFEESA-N 236.359 2.927 30 20 BFED Cc1ncccc1CCNCC(C)(C)CCC#N 898257255 QLRRCZAMELUCSH-UHFFFAOYSA-N 245.370 2.852 30 20 BFED CC(=O)c1ccn(CCCCC2(C#N)CCC2)n1 902722327 VYJHVVFEBLPMOT-UHFFFAOYSA-N 245.326 2.950 30 20 BFED C[C@@H](N)[C@H]1CCN(CCCCC2(C#N)CCC2)C1 903744281 QTYRMZZSZIZMCF-KGLIPLIRSA-N 249.402 2.520 30 20 BFED C=CCOCc1nc([C@@H](OCC)C(C)C)no1 904117520 RPROWGZMGIATLA-NSHDSACASA-N 240.303 2.506 30 20 BFED C=CCCOC(=O)/C=C\c1ccccc1C#N 919667994 SLMAWTPNSVDJCI-HJWRWDBZSA-N 227.263 2.691 30 20 BFED C#CCCN(C)CCOc1ccc(Cl)cc1 920417899 OJHBNYDQERZOGV-UHFFFAOYSA-N 237.730 2.674 30 20 BFED C=C(Cl)CN[C@@H](C)C1(Br)CC1 925436973 JDPVKMVWCVFEEF-ZETCQYMHSA-N 238.556 2.645 30 20 BFED C=C[C@H](COC)NC(=O)C[C@@H](CC)CCCC 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2.515 30 20 BFED CCCON=Cc1ccc2oc(C(=O)O)cc2c1 1776082753 OXJLYGUNRDETHS-UHFFFAOYSA-N 247.250 2.892 30 20 BFED C=C1CC(CN2CC3(CCC3)C[C@H]2CC(=O)O)C1 1776144818 XXMMLPFIIPWWJI-CYBMUJFWSA-N 249.354 2.672 30 20 BFED C=CC[C@@]1(C(=O)O)CCCN(C/C(C)=C/C)C1 1776154516 GGNUMMRSSAZLBL-IMBBRHANSA-N 237.343 2.696 30 20 BFED C[C@H](C#N)N(C)C(=O)c1cc2c(s1)CCCC2 45142479 MPPGDLYZBBHBES-SECBINFHSA-N 248.351 2.611 30 20 BFED C=CCN(Cc1ccccc1)C[C@@H]1CCCO1 45796862 HCTKYVODDIPNMM-HNNXBMFYSA-N 231.339 2.854 30 20 BFED Cc1ccnc(NCc2cccc(C#N)c2)c1 49942917 QQGHIHIMKBABMC-UHFFFAOYSA-N 223.279 2.874 30 20 BFED CC[C@H](C)[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C#N 50442427 YFXUVFITZWOSJW-DTWKUNHWSA-N 248.286 2.708 30 20 BFED COCC/N=C/c1c(O)ccc2ccccc12 60802305 QTHCCSQQNXXHDD-XNTDXEJSSA-N 229.279 2.611 30 20 BFED N#Cc1ccc(CN[C@H]2CCCSC2)cc1 61588320 UJOKGENYXWXSIJ-ZDUSSCGKSA-N 232.352 2.543 30 20 BFED N#Cc1ccc(OC(=O)C[C@@H]2C=CCC2)cc1 78395805 UOANJNZFNLKZPU-LLVKDONJSA-N 227.263 2.820 30 20 BFED 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239.315 2.808 30 20 BFED C#CCCCCCC(=O)N=[S@](C)(=O)C(C)C 926055556 VJKAQHSOFVHETF-MRXNPFEDSA-N 243.372 2.603 30 20 BFED Cc1ccc(C#N)cc1C(=O)N[C@@H](C)C1CCC1 935087781 YDUCSOFPTPDMGB-NSHDSACASA-N 242.322 2.785 30 20 BFED C=C[C@H](CC)CC(=O)NC[C@@H]1CCO[C@@H](C)C1 935208511 GSSIATZFYXCKNS-YNEHKIRRSA-N 239.359 2.520 30 20 BFED CC(CCC(C)C)=NNC(=S)NC(C)C 1115814395 SXXKJVNLXWMMIY-UHFFFAOYSA-N 229.393 2.671 30 20 BFED C=C(C)CCC(=O)N(C)C[C@H]1CC1(C)C 1120670010 KYOJBQPICSVKKJ-LLVKDONJSA-N 209.333 2.847 30 20 BFED Cc1ccc(N(CCC#N)C(=O)[C@H]2C[C@@H]2F)cc1 1123534063 ICINRZSBDIOOPN-STQMWFEESA-N 246.285 2.600 30 20 BFED C=C(CC(C)C)C(=O)N1CC[C@H](C)[C@H]1C 1123732596 YETIVRPHQGNPOB-CMPLNLGQSA-N 209.333 2.846 30 20 BFED CCC(=NOC(C)(C)C)C1CCOCC1 1319582268 DFVOFUURPOKRAE-UHFFFAOYSA-N 213.321 2.994 30 20 BFED CC(C)NC(=S)NN=C1CCC[C@H](C)[C@H]1C 1320210120 MHOXSQKXEXOQFU-VHSXEESVSA-N 241.404 2.671 30 20 BFED COc1cccc(C=NOC(C)(C)C)c1F 1325172926 ICQZHJMEHPBYDH-UHFFFAOYSA-N 225.263 2.983 30 20 BFED C#CCN(CC1CC1)C(=O)/C=C(\C)c1ccco1 1334639759 DMWPVVOOIATNHO-ZRDIBKRKSA-N 243.306 2.555 30 20 BFED Cc1ccc(C=NOC(C)(C)C)cc1C(=O)O 1336039665 RNXBBEJYOHRXFC-UHFFFAOYSA-N 235.283 2.842 30 20 BFED C=C(C)CCC(=O)NCCc1ccc(C)o1 1336946131 OBMCFSGYSAIIIK-UHFFFAOYSA-N 221.300 2.603 30 20 BFED N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2F)c(Cl)c1 1337448528 ROLJZFAHZNCSPC-VXNVDRBHSA-N 238.649 2.508 30 20 BFED C#Cc1ccc(N2CCCC(F)(F)CC2)nc1 1348268833 AUPMSEWVCSJKFV-UHFFFAOYSA-N 236.265 2.689 30 20 BFED CCCCCCCOC(=O)c1ccc(C)nn1 1357128378 YPVXNVMKEPJEMM-UHFFFAOYSA-N 236.315 2.912 30 20 BFED C=C(C)CCC(=O)Nc1ccc(C)cc1C(=O)O 1588559797 SWIJISJFGCLBGT-UHFFFAOYSA-N 247.294 2.988 30 20 BFED C[C@@H](CC(=O)O)SCc1ccc(C#N)s1 1592422749 XYARWAGXKCITMT-ZETCQYMHSA-N 241.337 2.716 30 20 BFED C=C[C@@H](Nc1ccc(O[C@H](C)CC)cc1)C(=O)O 1602821321 ZNMRDEBDGXQXKJ-ZWNOBZJWSA-N 249.310 2.915 30 20 BFED Cc1coc(C=NNc2cccc(C(=O)O)c2)c1 1776037938 KMADXMOAMABFJY-UHFFFAOYSA-N 244.250 2.732 30 20 BFED CC[C@H](C)N(CC)C[C@H](O)c1ccc(C#N)cc1 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CC[C@@H](C)[C@@H](O)CNc1ccc(F)cc1C#N 78253440 FMSGAYWDVGPYKC-RNCFNFMXSA-N 236.290 2.516 30 20 BFED COc1ccc(C)cc1CN1CCC[C@@H](C#N)C1 79831292 IXIFVOCLRCFHMW-ZDUSSCGKSA-N 244.338 2.739 30 20 BFED Cc1cc(C)c(C(=O)N[C@@H](C#N)C(C)C)c(C)c1 79843649 IVKQVKBGEFHWSS-ZDUSSCGKSA-N 244.338 2.890 30 20 BFED Cc1ncn(CCCC(C)(C)C#N)c1C 87608865 SFNKWJMVJWXNTA-UHFFFAOYSA-N 205.305 2.830 30 20 BFED Cc1cc(F)ccc1CN(C)[C@H](C)CC#N 93090829 WIYFTNPXRLABFO-LLVKDONJSA-N 220.291 2.868 30 20 BFED CC#CCSc1nnc(-c2ccoc2C)o1 97599344 NWZMNRLTGUGSQS-UHFFFAOYSA-N 234.280 2.753 30 20 BFED C=CCS[C@@H](C)C(=O)N1CCc2ccccc21 114756870 AOZMABKUWDNYCW-NSHDSACASA-N 247.363 2.883 30 20 BFED Cc1ccsc1/C=C/C(=O)c1cnccn1 115962888 USESJTHDHJOFDV-NSCUHMNNSA-N 230.292 2.743 30 20 BFED C=CC[C@H](C)NCc1c[nH]nc1-c1cccnc1 116926719 ZZNFXGOWIPSHJW-NSHDSACASA-N 242.326 2.526 30 20 BFED C[C@@H](c1ccncc1)N(C)CCCSCC#N 119788037 JFIUOSAIYXYNGB-LBPRGKRZSA-N 249.383 2.721 30 20 BFED C=CCN1CCCN(C)c2ccc(F)cc21 119875897 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Cc1nc(C#N)c(C#N)n1CC1CCCCC1 135487788 LBKZLLHVLLVRLD-UHFFFAOYSA-N 228.299 2.515 30 20 BFED c1ccc(CN2[C@H]3CC[C@H]2CC2(CO2)C3)cc1 140695451 UJSZSEFKCSCUNR-KBPBESRZSA-N 229.323 2.582 30 20 BFED C#CCCCCNCC(C)(C)CCC#N 150738131 MRKSQMAFIVVMHW-UHFFFAOYSA-N 206.333 2.709 30 20 BFED CC#CCCN1CCO[C@@H](c2ccccc2C)C1 155784173 RCWGBGXIIYVJAO-MRXNPFEDSA-N 243.350 2.782 30 20 BFED CC[C@]1(C)C[C@@H]1C(=O)Nc1ccccc1C#N 158841808 DQTRDUIRDBKUAL-BXUZGUMPSA-N 228.295 2.933 30 20 BFED C=CCN(C)C(=O)C1(c2ccccc2C)CC1 161381352 MTODIHLISBDBLG-UHFFFAOYSA-N 229.323 2.671 30 20 BFED N#CCCCCSCc1noc(C2CC2)n1 161906063 GAXQXZVDOIFKSZ-UHFFFAOYSA-N 237.328 2.874 30 20 BFED Cc1ccc(CNCC(C)(C)C#N)s1 164668035 MFEMBLPEBHNMSK-UHFFFAOYSA-N 208.330 2.696 30 20 BFED C#CCN(CC)C(=O)c1cc(Cl)ccc1C 168998834 CSHQXDKVGNOUMW-UHFFFAOYSA-N 235.714 2.744 30 20 BFED C[C@H](CO)SCc1ccc(C#N)cc1Cl 169035768 BGUZTBWVZIZPQD-MRVPVSSYSA-N 241.743 2.826 30 20 BFED CC[C@@H]1CCCN(C(=O)NCCCCC#N)C1 170886187 DXXBYTDCEBJYLR-GFCCVEGCSA-N 237.347 2.512 30 20 BFED C=CCOC(=O)Cc1ccc(CC)cc1 175479729 MVACYIWCKDYAOL-UHFFFAOYSA-N 204.269 2.521 30 20 BFED CC[C@@H](C#N)OC(=O)c1nccc2ccccc12 175992486 CCKDRKXJBCGFQH-NSHDSACASA-N 240.262 2.694 30 20 BFED N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC2)cc1 176427770 YAOBJVBLEJMQDH-QWHCGFSZSA-N 226.279 2.543 30 20 BFED C=C(C)CSCC(=O)N(C)c1ccccc1 177866511 YGTZXKMHAFZKGT-UHFFFAOYSA-N 235.352 2.959 30 20 BFED C=CCCN[C@H](c1nc(C2CC2)no1)C(C)C 179817208 VZWDCFQXWZBMGA-NSHDSACASA-N 235.331 2.810 30 20 BFED CC(C)COc1ccc(CNC[C@H](C)C#N)cc1 183839252 IPKVTDLVXWAYJB-CYBMUJFWSA-N 246.354 2.971 30 20 BFED CC#CCSCc1ccn(C(C)C)n1 184048381 YVZKBTINLZHXNQ-UHFFFAOYSA-N 208.330 2.721 30 20 BFED C=C(C)C[C@H](C)C(=O)N[C@H](C)c1cnn(C)c1C 185055282 APRPVSKYEXVKCA-WDEREUQCSA-N 249.358 2.508 30 20 BFED CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@@]1(C)C(C)C 185917670 CYBDWXPHHKEKRI-DYEKYZERSA-N 236.359 2.677 30 20 BFED C=CC[C@H](C)NC(=O)C[C@H]1CCC[C@@H]1C 186638881 JZKSJVKBKYTJBG-SDDRHHMPSA-N 209.333 2.894 30 20 BFED N#CCCCOC(=O)C[C@@H]1C=CCCC1 187833867 KQKFAJCAUVJXOQ-LLVKDONJSA-N 207.273 2.580 30 20 BFED N#CCCC[S@](=O)Cc1ccccc1Cl 188277423 FFFSABLHUBSECP-HNNXBMFYSA-N 241.743 2.892 30 20 BFED Cc1ccc(N(C)Cc2cc(C#N)n(C)c2)cc1 191467757 RNCLPSVOMFNHDW-UHFFFAOYSA-N 239.322 2.842 30 20 BFED CC[C@@H](CC#N)NCc1cccc(OC)c1F 192974357 CKWFLZXSAUFANB-NSHDSACASA-N 236.290 2.616 30 20 BFED C[C@@H](c1cccc(F)c1)N(C)CCC#N 194987441 HQQYDUBLZDOJEO-JTQLQIEISA-N 206.264 2.732 30 20 BFED CC(C)C[C@H](O)CN[C@@H](C)c1cccc(C#N)c1 223730937 CQHQUTOSOYHRGE-WFASDCNBSA-N 246.354 2.616 30 20 BFED CCC(O)(CC)COc1cc(C#N)ccc1C 225799079 HMZBEBBLFJYPOF-UHFFFAOYSA-N 233.311 2.797 30 20 BFED C#C[C@@H](CC)NCCc1ccc(Cl)cc1 229517841 LCODJVOFXADQSC-ZDUSSCGKSA-N 221.731 2.884 30 20 BFED C#C[C@@H](CC)N[C@H](C)Cc1cccs1 229530723 XLEWBCIZKVOJFP-MNOVXSKESA-N 207.342 2.681 30 20 BFED C[C@@H]1CN(CCCC#N)[C@@H]2CCCC[C@H]12 248404893 AJMVKSGPVZSJCP-JHJVBQTASA-N 206.333 2.801 30 20 BFED C=CCCN[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 252956615 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BFED Cc1ccnc(N(C)CCCOC(C)C)c1C#N 273390103 URXKZFIXDLFTJU-UHFFFAOYSA-N 247.342 2.513 30 20 BFED C=CCC[C@H](C)NC[C@@H](O)CCc1ccccc1 273421349 JJGYNDZTXLRWPE-HOCLYGCPSA-N 247.382 2.924 30 20 BFED C=C[C@@](C)(CCOC)C(=O)Nc1cccnc1C 275638669 RRAWUDMHWFFNDC-AWEZNQCLSA-N 248.326 2.557 30 20 BFED N#Cc1cc(N2CCC=C(F)C2)ccc1[N+](=O)[O-] 278670004 FXFRLCQNYFUEEG-UHFFFAOYSA-N 247.229 2.530 30 20 BFED CC#CCCCC(=O)N1CCC(C)=C(C)C1 280282518 SPDXTBRMNWJELL-UHFFFAOYSA-N 219.328 2.749 30 20 BFED C#CCN(CC#N)CCCc1ccccc1Cl 281466400 UIKWGJABTWQQLU-UHFFFAOYSA-N 246.741 2.731 30 20 BFED CC[C@H]1CN(c2cccc(F)c2C#N)CCCO1 281880253 OCLUUVBAQOAYOJ-NSHDSACASA-N 248.301 2.703 30 20 BFED CC(C)n1cc(/C=C/C(=O)c2cccs2)nn1 287257646 PXOWERCSFQFSQX-AATRIKPKSA-N 247.323 2.817 30 20 BFED C=CCC[C@H](CC)NCCc1nnc(C)s1 289558528 AGJVZFPDQORWDP-NSHDSACASA-N 239.388 2.723 30 20 BFED C=CCCCCCN1CC[C@@H](n2cccn2)C1 291662587 FWNDYPICGIWLMA-CQSZACIVSA-N 233.359 2.876 30 20 BFED N#CCCCC(=O)Nc1ccc2ncsc2c1 292651789 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2.738 30 20 BFED CC[C@@H](C#N)S[C@@H](C)C(=O)OC(C)(C)C 332516735 PMJVZLJJSFQHGV-IUCAKERBSA-N 229.345 2.752 30 20 BFED C[C@@]1(CNc2cccc(F)c2C#N)CCOC1 334890060 MVCLLDOGGYDZFP-ZDUSSCGKSA-N 234.274 2.536 30 20 BFED N#CCCCC(=O)N1CCC2(CCCC2)CC1 335164451 GPMZJNWKHJTZTB-UHFFFAOYSA-N 234.343 2.863 30 20 BFED N#Cc1ccc(/C=C/c2cncc(F)c2)nc1 335439321 GTKLUVAIWLCKDH-HNQUOIGGSA-N 225.226 2.658 30 20 BFED Cc1cc(S[C@H]2CCO[C@H]2C)c(C#N)cn1 335509953 ISWBFYGFBFIXIV-ONGXEEELSA-N 234.324 2.531 30 20 BFED COc1cc(F)ccc1N[C@@H]1CC[C@@H](C#N)C1 335763800 AOEVZACQJRMVEC-MWLCHTKSSA-N 234.274 2.938 30 20 BFED CC[C@]1(C)CCN(C(=O)c2cccc(C#N)c2)C1 336049305 UKJYWFOMHSWARF-OAHLLOKOSA-N 242.322 2.820 30 20 BFED CC[C@@]1(C)C[C@H]1C(=O)N(C)c1ccc(C#N)cc1 336166388 BUIZNGROHNGAES-ZFWWWQNUSA-N 242.322 2.957 30 20 BFED C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(Cl)cc1 336234152 DDMJLSKXXGYRMB-UFBFGSQYSA-N 234.686 2.828 30 20 BFED C=C[C@H]1CCCCN1C(=O)c1ccc(C#N)s1 336304447 OJARTQREIRWFHO-JTQLQIEISA-N 246.335 2.800 30 20 BFED C[C@@H]1C[C@H](c2cccnc2)N(CC2(C#N)CC2)C1 336365045 OEYCKDXDMQLJTD-TZMCWYRMSA-N 241.338 2.768 30 20 BFED N#Cc1nc(N2CC3(CCCC3)C2)ccc1Cl 336365549 UWAALLWCSHRREU-UHFFFAOYSA-N 247.729 2.987 30 20 BFED C=C(C)CN[C@@H](CO)c1cccc(Cl)c1F 336690204 WJVQURVTLKFJDO-NSHDSACASA-N 243.709 2.678 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@H](C)[C@@H]1CCCOC1 336733669 GORGLQJQRDQRIR-IGQOVBAYSA-N 225.376 2.992 30 20 BFED C=CCC[C@H](C)NC[C@@H]1CCO[C@H](C)C1 336760290 MDAXCJPIQLAYCF-YNEHKIRRSA-N 211.349 2.746 30 20 BFED N#Cc1ccn(CCOc2cccc(F)c2)c1 339198816 XSTXJGMQDIQUGR-UHFFFAOYSA-N 230.242 2.578 30 20 BFED CO[C@H]1CCC[C@@H]1CNCC(C)(C)CCC#N 341275480 DHOASXOYZXFCJJ-OLZOCXBDSA-N 238.375 2.721 30 20 BFED C=C[C@H](C)NC(=O)Cc1cccc(C(F)F)c1 344438264 UCUCVQOIRFDRFJ-VIFPVBQESA-N 239.265 2.857 30 20 BFED C=CCN(C(=O)NCCC1(C)CC1)C1CC1 350059823 MGEASNCWUWAGSS-UHFFFAOYSA-N 222.332 2.537 30 20 BFED C=CCCO[C@@H](C)C(=O)N1CC(CC)(CC)C1 355872701 KFXHAOGEDMTQEO-LBPRGKRZSA-N 239.359 2.616 30 20 BFED C=CCOCCCOc1c(F)cccc1F 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20 BFED COC1(COc2cccc(F)c2C#N)CCC1 418921735 JXAANCWVMORGBK-UHFFFAOYSA-N 235.258 2.645 30 20 BFED C=CC[C@@H](C)[C@H](C)NCc1ccc2c(c1)CNC2 423395149 RSXKUEYSUSCDSV-OLZOCXBDSA-N 244.382 2.980 30 20 BFED C=C(C)C(C)(C)C(=O)NCc1ccc(OC)cc1 424532841 XTHJYOLZYBLEND-UHFFFAOYSA-N 247.338 2.914 30 20 BFED CC[C@@H]1CN([C@H]2CC[C@H](C#N)C2)CCS1 429682558 YYJGFZCKMGPJRE-SDDRHHMPSA-N 224.373 2.506 30 20 BFED CC(C)(CN[C@@H]1CC[C@@H](C#N)C1)N1CCCCC1 442643592 GMFRSYUQNGXPDH-ZIAGYGMSSA-N 249.402 2.533 30 20 BFED C=CCC[C@H](CCC)NCc1ccnc(OC)n1 449372020 BHOUERKICHICGZ-LBPRGKRZSA-N 249.358 2.710 30 20 BFED C=C(C)CCN[C@H](C)Cc1cccc(OC)n1 449471665 DAYSOLFPOGAILP-GFCCVEGCSA-N 234.343 2.577 30 20 BFED CCC1(CNC(=O)[C@]2(C#N)C[C@H]2C)CCCC1 450122918 SRRGHIDQLXVGKD-RISCZKNCSA-N 234.343 2.623 30 20 BFED C=C[C@H](C)NC(=O)N1CC(C)(C)[C@H]2CCC[C@@H]21 454663933 IJTWXNBJNRXVBT-SRVKXCTJSA-N 236.359 2.781 30 20 BFED C=C[C@H](C)NC(=O)N[C@@H](C)CCC=C(C)C 454675394 OQIOSCLLYLZBKS-RYUDHWBXSA-N 224.348 2.995 30 20 BFED 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30 20 BFED Cc1ccc(C=NNc2ncccc2C)o1 790193804 NSNVNRBMZURDPC-UHFFFAOYSA-N 215.256 2.737 30 20 BFED CO[C@]1(C)CC(=NOCCSC)C1(C)C 794572259 NBMGPRINRLOENR-LLVKDONJSA-N 231.361 2.557 30 20 BFED N#Cc1ccc(C(=O)OCc2cccs2)o1 796154101 YNNTVNKTDGWJJE-UHFFFAOYSA-N 233.248 2.570 30 20 BFED Cn1cnc(/C=C/C(=O)c2ccc(Cl)cc2)c1 798232653 ZCYMTFWGDGYLJQ-VOTSOKGWSA-N 246.697 2.970 30 20 BFED COC[C@H](C)NN=C1CCC[C@@H]1CCCF 800815307 SRBFAWVMUBEZTC-WDEREUQCSA-N 230.327 2.517 30 20 BFED Fc1ccc2c(c1)C(=NOC/C=C\Cl)CO2 811671751 KIMIYGJYAQTXHI-SBTASTJTSA-N 241.649 2.691 30 20 BFED C(=NOC1CCC1)c1cccc2c1OCCCO2 812236947 BIKYFXMGDBRKLQ-UHFFFAOYSA-N 247.294 2.751 30 20 BFED N#CCc1ccc(NC(=S)NC2CCC2)cc1 814191795 MYEOHIXLCPHSIL-UHFFFAOYSA-N 245.351 2.592 30 20 BFED C[C@@H](C#N)OC(=O)/C(F)=C\C1CCCCC1 814543018 KTDUWBSWSAQVOR-FKVCUQLRSA-N 225.263 2.875 30 20 BFED C=C[C@@H](O)C(=O)O[C@H](C)c1c(C)cc(C)cc1C 814543428 ASOYFZIUODYWFW-CHWSQXEVSA-N 248.322 2.763 30 20 BFED c1ccc(C2CC(=NNC3CCOCC3)C2)cc1 814869019 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C=CCNC(=O)C[C@H](C)c1cccc(F)c1 116162289 KICVWQJISYOGIM-JTQLQIEISA-N 221.275 2.622 30 20 BFED C=CC[C@H](C)NC(=O)COc1ccc(C)c(C)c1 116861938 SHPOFANYRRDJMR-ZDUSSCGKSA-N 247.338 2.763 30 20 BFED C=CCC[C@@H](NCCCn1ccnc1)C1CC1 119800956 FEDKOAZMEHPEOS-CQSZACIVSA-N 233.359 2.608 30 20 BFED C=CCC[C@@H](N[C@@H](C)CC(N)=O)c1ccccc1 120528884 VMHSVRHILGBLEW-GXTWGEPZSA-N 246.354 2.547 30 20 BFED C[C@@H]1CCN(CCCSCC#N)C[C@@H]1C 122664767 UJUOSLLXALONPH-NEPJUHHUSA-N 226.389 2.611 30 20 BFED C=CCCC(=O)NCCC1Cc2ccccc2C1 122942628 SSMMSTIFJFVKFG-UHFFFAOYSA-N 243.350 2.874 30 20 BFED CCC(CC)(CC)CNC(=O)c1ccc(C#N)[nH]1 123097510 NZFQPGUIBSZEKX-UHFFFAOYSA-N 247.342 2.833 30 20 BFED C[C@@H]1C[C@H](Nc2ccc(F)cc2C#N)CCO1 126301393 HZVUDUHWGKQHRQ-BXKDBHETSA-N 234.274 2.677 30 20 BFED CN(Cc1ccc(C#N)cc1)Cc1cncs1 131165519 YYSRPXRKIJTBFD-UHFFFAOYSA-N 243.335 2.647 30 20 BFED CCC[C@H]1CN(Cc2ccccc2C#N)CCO1 131776746 BFEVQYHUEBKJCK-HNNXBMFYSA-N 244.338 2.559 30 20 BFED C=CCC[C@@H](C)N[C@@H](CO)c1ccccc1 134929738 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30 20 BFED N#Cc1ccc(COC(=O)C2=CCCC2)c(F)c1 761556733 QYHANDRLCOQQMV-UHFFFAOYSA-N 245.253 2.851 30 20 BFED C#CCCc1noc([C@@H](C)c2ccccc2F)n1 762007804 SYHZQSPNDCVLNM-JTQLQIEISA-N 244.269 2.926 30 20 BFED COc1nccnc1NN=C1CCC[C@H](C)[C@H]1C 763409500 ZNXOSDKMTWLYOC-VHSXEESVSA-N 248.330 2.709 30 20 BFED C#C[C@H](C)N(C)C(=O)c1ccc(C(F)F)cc1 767263710 YIQSXTBAUGAQSP-VIFPVBQESA-N 237.249 2.718 30 20 BFED C[C@H]1CC(=NNc2ncc(F)cn2)CC[C@H]1C 767386737 UFRUXXZMLUJGOO-BDAKNGLRSA-N 236.294 2.840 30 20 BFED C=CCN(Cc1ccc2c[nH]nc2c1)C(C)C 768547169 JXHPYYVNRWMPCW-UHFFFAOYSA-N 229.327 2.959 30 20 BFED CCCCCCCC(=O)N[C@@](C)(CO)C1CC1 768877742 XQKOIMCCKZLCHR-AWEZNQCLSA-N 241.375 2.624 30 20 BFED N#CC1(COC(=O)c2cc3ccccc3[nH]2)CC1 775827835 NNFSHKKCRHFDKT-UHFFFAOYSA-N 240.262 2.628 30 20 BFED N#CC1(COC(=O)/C=C\c2cccs2)CC1 775828554 PNYRLAVNYFXQED-ARJAWSKDSA-N 233.292 2.608 30 20 BFED CC(C)(C)c1ccc(C=NOCCCO)cc1 776297469 PFTHEJWICJISDN-UHFFFAOYSA-N 235.327 2.717 30 20 BFED CC(C)OCCNN=C1CCC[C@@H]1C(C)C 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2.510 30 20 BFED C=CCc1cc(OC)cc(CN2CCCC2)c1O 111682959 CHLPUDDBSYZTDB-UHFFFAOYSA-N 247.338 2.725 30 20 BFED C#CCNC(=O)N(Cc1ccccc1)[C@@H](C)CC 117021760 DMJSXDPZNRJKGF-ZDUSSCGKSA-N 244.338 2.630 30 20 BFED CCN(C[C@H](C)C#N)C(=O)c1cccn1C(C)C 118988838 JZTKTPYAAGYPFC-GFCCVEGCSA-N 247.342 2.691 30 20 BFED C=C[C@H](C)NC(=O)c1ccnn1C(CC)CC 124025314 UJPGRQFKIMWBTL-JTQLQIEISA-N 235.331 2.549 30 20 BFED C=CCN(C(=O)COCCC)c1ccccc1 124033654 XODVROGYSGHMEP-UHFFFAOYSA-N 233.311 2.632 30 20 BFED C=C[C@H](C)NC(=O)N1CCC[C@H]2CCC[C@@H]21 128202728 BWDJSIZTBOEMIW-TUAOUCFPSA-N 222.332 2.535 30 20 BFED Oc1ccccc1/C=N/C[C@@H]1CCCS1 129346647 VNYWLDUWWPHIAW-ZWSXMNCCSA-N 221.325 2.707 30 20 BFED CC#CCNC(=O)N[C@@H](c1ccccc1)C(C)C 134976592 OVSZPRKBFZISCF-CQSZACIVSA-N 244.338 2.706 30 20 BFED CC[C@@](C)(C#N)C(=O)NCC1(C)CCCC1 136253430 ZIWWHSXJJIEDBD-ZDUSSCGKSA-N 222.332 2.623 30 20 BFED C#CCCCCNCc1cc(C#N)cs1 150738261 LBUCJDAZCUQVAR-UHFFFAOYSA-N 218.325 2.513 30 20 BFED C[C@@H](CC(F)(F)F)NCc1cccc(C#N)c1 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O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2CC=CCC2)c1 172402000 SHMSWKPFNBZFGF-ZECSTPGPSA-N 246.266 2.828 30 20 BFED CC1(C)[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 172956665 AAEHZHVGEGYIHJ-OKILXGFUSA-N 226.323 2.646 30 20 BFED CCCN(CCCSCC#N)CC(F)F 173878358 DMQUGERTYCBGCR-UHFFFAOYSA-N 236.331 2.610 30 20 BFED Cc1cc(CN(C)CCC#N)c(C)s1 177180510 CHACLKTWUWGXFT-UHFFFAOYSA-N 208.330 2.710 30 20 BFED C=C(C)CSCC(=O)NCCCCCC 177864998 NVOYLPZHRAVMAM-UHFFFAOYSA-N 229.389 2.992 30 20 BFED C=CCCCC(=O)Nc1ccc(N)c(OC)c1 178382705 QCIRFOXBAWTBKB-UHFFFAOYSA-N 234.299 2.572 30 20 BFED Cc1nn(C)cc1CNc1cccc(C#N)c1C 181455404 QCDSSYBMGPQSDE-UHFFFAOYSA-N 240.310 2.521 30 20 BFED C=C(C)CN(C)C(=O)Nc1ncc(CC)s1 181763481 SWVBRJWOSONEMJ-UHFFFAOYSA-N 239.344 2.745 30 20 BFED C#C[C@H](C)NC(=O)N1CCC[C@@H]1C1CCCCC1 186012530 ZTDFXYBSIVIIHW-GXTWGEPZSA-N 248.370 2.762 30 20 BFED C=CCN(CC=C)Cc1cc(O)cc(F)c1 186155566 ZFENIMISCYVJLK-UHFFFAOYSA-N 221.275 2.705 30 20 BFED COc1cccc2c(NC[C@H](C)C#N)ccnc12 189445190 LVFGUAZJNVNZJK-SNVBAGLBSA-N 241.294 2.815 30 20 BFED C=C(C)CN(C)C(=O)NCC(C)(C)CC 190704222 RNSVQXSTBMNZBD-UHFFFAOYSA-N 212.337 2.640 30 20 BFED C[C@H](CC#N)Nc1ccc([N+](=O)[O-])cc1Cl 195153035 RWDZGWHIIFBVEQ-SSDOTTSWSA-N 239.662 2.962 30 20 BFED CO[C@@H](C)CNc1ccc(Cl)cc1C#N 224220056 MNIIHGZSKFJRFK-QMMMGPOBSA-N 224.691 2.658 30 20 BFED C#C[C@H](CC)N[C@@H](C)Cc1ccccc1OC 229894263 UUDNLZSIGXYZEQ-GXTWGEPZSA-N 231.339 2.628 30 20 BFED C#C[C@H](CCC)NC(=O)c1sccc1Cl 229946553 OWYRBABOQKEDPO-MRVPVSSYSA-N 241.743 2.933 30 20 BFED CCC1(CNC(=O)C(C#N)(CC)CC)CC1 232896237 WFLRJBKSHPNFCB-UHFFFAOYSA-N 222.332 2.623 30 20 BFED N#Cc1ccc(N2CC[C@H](F)C2)cc1Cl 238548714 WUEGTMFEKYKHSP-VIFPVBQESA-N 224.666 2.760 30 20 BFED C=CC1CCN(C(=O)c2cc(N)ccc2C)CC1 262356447 JNKLHOLMYNWCLZ-UHFFFAOYSA-N 244.338 2.615 30 20 BFED CC[C@H](C)C(=O)NC1(c2cccc(C#N)c2)CC1 269605667 JQYSVSJQFRYSGL-NSHDSACASA-N 242.322 2.710 30 20 BFED CC(C)[C@H](C)N(C)Cc1ccc(C#N)o1 271037330 GSSRENCEZRUJJF-JTQLQIEISA-N 206.289 2.628 30 20 BFED C#CCN(c1nc(C(F)(F)F)cs1)C1CC1 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BFED C=CCC(C)(C)CNC(=O)C=C1CCC1 293896508 ZFIMFXMJVHWXOQ-UHFFFAOYSA-N 207.317 2.815 30 20 BFED C=CCC(C)(C)CNC(=O)c1cnc(C)s1 293898413 ZNQXMCDFUPQCBH-UHFFFAOYSA-N 238.356 2.784 30 20 BFED C=CCC(C)(C)CNCc1c[nH]c2nccnc12 293903215 LFKRVFQJUGEOGS-UHFFFAOYSA-N 244.342 2.650 30 20 BFED C[C@@H](C#N)N(C)C(=O)C[C@@H](C)c1ccc(F)cc1 297915917 XIZWYCDARPRNPV-MNOVXSKESA-N 248.301 2.690 30 20 BFED CCC(CC)C(=O)N(C)Cc1ccc(C#N)cc1 298271078 DEDSEFWEVXYFAJ-UHFFFAOYSA-N 244.338 2.953 30 20 BFED CCOCCCCNc1c(C#N)cccc1C#N 302820396 CYXIPMZMJBBULF-UHFFFAOYSA-N 243.310 2.659 30 20 BFED Cc1cc(C#N)cc(NC(=O)CC2CCC2)c1 308242726 ZRFQHEARXQRAKY-UHFFFAOYSA-N 228.295 2.995 30 20 BFED CC(C)(C)SCCN1CCC[C@H](C#N)C1 308776718 APJSRPSXBXWNQW-LLVKDONJSA-N 226.389 2.754 30 20 BFED C=C(C)CNc1cc(F)c(OC)cc1F 309070153 CHPBKSJXQBRTHI-UHFFFAOYSA-N 213.227 2.961 30 20 BFED C=C[C@@H](C)Nc1nc2cccc(F)c2n1C 309770908 KLKIDJNWWMIWFY-MRVPVSSYSA-N 219.263 2.699 30 20 BFED CC[C@@H]1CCC[C@@H](Nc2ccnc(C#N)n2)C1 310182557 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222.332 2.575 30 20 BFED N#Cc1nc(N2CCC[C@H](F)C2)ccc1Cl 336571383 UMBHTRSFLHULRT-QMMMGPOBSA-N 239.681 2.545 30 20 BFED C=CCC(C)(C)CNc1ccc(C#N)nc1 336671780 IKOTWGXIBSLRQS-UHFFFAOYSA-N 215.300 2.967 30 20 BFED C=C[C@H](C)N[C@H](C)c1ccc2c(c1)COC2 336743386 OZBIQWJQVRKNNH-WDEREUQCSA-N 217.312 2.942 30 20 BFED C=CCCN[C@@H](C)[C@H]1CCCN(C2CCC2)C1 338568846 AEPYZDMXPGYUML-KBPBESRZSA-N 236.403 2.805 30 20 BFED C=CCOCCN1CC[C@H](C)C[C@@H](C)C1 339050355 CKQPMBXIWKBBPO-QWHCGFSZSA-N 211.349 2.557 30 20 BFED CCC[C@H](C)CC(=O)N[C@@](C)(C#N)CSC 345131489 RLDCDQGQZSAGAW-JQWIXIFHSA-N 242.388 2.574 30 20 BFED CC(C)(CCC#N)CNC(=O)C1=CCCCC1 345890687 RHFJJRXGZGMXTE-UHFFFAOYSA-N 234.343 2.933 30 20 BFED CC[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)C#N 346298589 HCFMDHTZSPMJJP-JSGCOSHPSA-N 244.338 2.626 30 20 BFED C=CCCC(=O)Nc1cnn(CC(C)C)c1C 346760212 LPDFYUBVMDKVIO-UHFFFAOYSA-N 235.331 2.752 30 20 BFED C=CCOCCCN[C@H](C)c1cccc(O)c1 348044683 BNFYGKHGKUZUPR-GFCCVEGCSA-N 235.327 2.636 30 20 BFED C=C(CC)CN1CCC[C@@H]1C1CCOCC1 348946778 HCKLGCKPTGNWMB-CQSZACIVSA-N 223.360 2.844 30 20 BFED CCc1ccccc1C(=O)N(C)CC(C)(C)C#N 353263874 NWUYTPCLHJROJW-UHFFFAOYSA-N 244.338 2.871 30 20 BFED C=CC[C@H](C)[C@H](C)NC[C@]1(O)CCC[C@@H]1C 354534318 BZUNCYXTROHGCW-XDQVBPFNSA-N 225.376 2.728 30 20 BFED C=C[C@@H](C)N[C@H](C)c1ccc(OCCOC)cc1 358310594 YFVVTNUGNGVMEE-CHWSQXEVSA-N 249.354 2.937 30 20 BFED Cc1ccsc1CCNc1ccc(C#N)nc1 358459969 YFAINIDMOHWCFT-UHFFFAOYSA-N 243.335 2.978 30 20 BFED C=C(CC)Cn1nccc1-c1cccnc1 358670331 WXVVDNYWBLIWDY-UHFFFAOYSA-N 213.284 2.911 30 20 BFED C#CCCN1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O 365795587 BSAMESFEYBYANA-QXSJWSMHSA-N 249.398 2.661 30 20 BFED C#CCCN1CCCN(CC2CCCCC2)CC1 366238908 QSGSJOOIURFSDZ-UHFFFAOYSA-N 248.414 2.598 30 20 BFED C#Cc1ccc(CN2CCC[C@@H](OC)CC2)cc1 368028544 DJLDFZANGJYWPW-MRXNPFEDSA-N 243.350 2.669 30 20 BFED C#CCCCCNC(=O)N1CC(C2CCCC2)C1 373389051 CAWJNFIRISFXIX-UHFFFAOYSA-N 248.370 2.622 30 20 BFED C#CCCCNCc1scnc1C1CC1 380079131 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2.762 30 20 BFED C=CC(C)(C)CNc1ccnc2c1cnn2C 450731502 YOTZVUSQNNBHQS-UHFFFAOYSA-N 230.315 2.592 30 20 BFED C=C(C)CCNC(=O)C[C@H]1CC[C@H](C)C1 452718237 OUPOBRSQAHNWHK-RYUDHWBXSA-N 209.333 2.895 30 20 BFED C=C(CC)CNC(=O)Nc1cccc(F)c1 454154418 QLNKAJUBWKWHDA-UHFFFAOYSA-N 222.263 2.913 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@H](C)[C@@H](OC)C1CC1 456582155 UIPXQVNZDFXBSN-MPKXVKKWSA-N 239.359 2.518 30 20 BFED C=CCN(CC=C)C(=O)[C@@H](C)C1CCC1 457362771 AJIIKCVOJONRQE-NSHDSACASA-N 207.317 2.623 30 20 BFED C[C@@H]1CCC[C@H](N(C)C(=O)[C@]2(C#N)C[C@H]2C)C1 459978602 WKANUDDZIZJRLA-NMKXLXIOSA-N 234.343 2.573 30 20 BFED C=C[C@@H](C)NC(=O)c1cccc2c1OCC2(C)C 468867412 GAUCFXAYBBRMLT-SNVBAGLBSA-N 245.322 2.661 30 20 BFED C[C@H](Nc1ccc(CC#N)cc1)[C@@H]1CCCOC1 474927302 PURPZZRBRYSYBM-GXTWGEPZSA-N 244.338 2.980 30 20 BFED C=CCOc1ccc(OCCC(C)(C)O)cc1 489232842 FQZLSPYZDCAHMH-UHFFFAOYSA-N 236.311 2.791 30 20 BFED C#C[C@H](C)N(C)C(=O)C[C@@H](C=C)c1ccccc1 491252200 GDCUBNOYZPGKLF-UONOGXRCSA-N 241.334 2.826 30 20 BFED 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2.509 30 20 BFED C=CC(C)(C)CNC(=O)c1nc[nH]c1C(C)(C)C 633307355 XQBOEBMTYIMUIC-UHFFFAOYSA-N 249.358 2.649 30 20 BFED C=CCCCNCc1nc2ccccc2o1 639120778 ZAMRRFVHSBSSJZ-UHFFFAOYSA-N 216.284 2.884 30 20 BFED CCC#C[C@H](C)N(C)Cc1ccc(C)cn1 649903253 TYCWDYRVGUHLDT-ZDUSSCGKSA-N 216.328 2.624 30 20 BFED C=CCN1CCC=C(c2cn(C(C)C)nn2)CC1 660717390 GBMDKEPPSKVNPG-UHFFFAOYSA-N 246.358 2.524 30 20 BFED C=CCN(CCCC(C)C)[C@H](C)COC 661241426 YALYMOJLKZQKRK-CYBMUJFWSA-N 213.365 2.946 30 20 BFED C=CCCC(C)(C)NCCNC(C)(C)C 663507286 NJRFQRCZJJRQHH-UHFFFAOYSA-N 212.381 2.709 30 20 BFED C=CCCCN(C)c1nccnc1CCC 663639059 UNZKCLQKCFRQAO-UHFFFAOYSA-N 219.332 2.832 30 20 BFED C=CCCNC(=O)NC1(C)CCCCC1 665946433 YPWASRVENIFDNX-UHFFFAOYSA-N 210.321 2.585 30 20 BFED C=CC[C@H](C)NC(=O)c1cccc(OC)c1C 668854929 QNZXNSHYYFJEBW-JTQLQIEISA-N 233.311 2.698 30 20 BFED C=CCOc1cccnc1C(=O)N[C@H](C)CCC 678748821 SCDGEMGJHCATQM-LLVKDONJSA-N 248.326 2.565 30 20 BFED C=C(Cl)CN1CCC[C@@H](C)[C@H]1CCCN 693424002 ZNQHFGBJHWSVMJ-ZYHUDNBSSA-N 230.783 2.578 30 20 BFED CCCCCCCC(=O)N[C@H](C)C1(CO)CC1 696118909 CIGIMWGAFVVUKI-GFCCVEGCSA-N 241.375 2.624 30 20 BFED C#CCN(CC1CC1)C(=O)[C@H]1CCCC[C@H]1C 714394918 USENAJYBYVANOG-OCCSQVGLSA-N 233.355 2.685 30 20 BFED CCCCCCCCN[C@@H](C)c1cn(C)nn1 715901445 JZFCNNQUOPDINI-LBPRGKRZSA-N 238.379 2.826 30 20 BFED C=CCCC(=O)OCCOc1ccccc1 726651857 WNVAYEKJGNIADP-UHFFFAOYSA-N 220.268 2.575 30 20 BFED C=CCOCC(=O)Oc1cc(Cl)ccc1F 735455591 OOEYBXPHOKNGGJ-UHFFFAOYSA-N 244.649 2.587 30 20 BFED CCC(=NNC(=S)Nc1cccnc1)C1CC1 741161117 ICHSCDUTTXQNPK-UHFFFAOYSA-N 248.355 2.544 30 20 BFED CCO[C@H]1CC(=NOC)C12CCCCC2 741457027 FMCFOUPMFKPWDP-NSHDSACASA-N 211.305 2.748 30 20 BFED C[C@H](C(=O)OCC#N)c1ccc(Cl)s1 750549774 WAIDMYCSFCMLME-LURJTMIESA-N 229.688 2.572 30 20 BFED Cc1cccc(C)c1NC(=S)NN=CC1CC1 755490853 RPEWSBBYQZRLAP-UHFFFAOYSA-N 247.367 2.986 30 20 BFED C=C(C)CNC(=S)Nc1ccc(C)nc1C 755730224 APVRHXPDTSPEBE-UHFFFAOYSA-N 235.356 2.561 30 20 BFED Clc1c[nH]ccc1=NN=C[C@H]1CC=CCC1 756841990 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BFED N#C[C@@H]1CC[C@H](N[C@@H]2CCCC23CCC3)C1 424318596 DAEHQDYBYSFGPZ-FRRDWIJNSA-N 218.344 2.991 30 20 BFED C=C[C@H](C)NC(=O)c1ccc(C(C)C)cc1O 436586736 UQBTZLIVYJOPEL-JTQLQIEISA-N 233.311 2.820 30 20 BFED CC[C@H](F)CN(CCC#N)CC(C)(C)C 440797073 MVJWHYFFYVTBEQ-NSHDSACASA-N 214.328 2.996 30 20 BFED Cc1ccc(OCCN[C@@H]2CC[C@H](C#N)C2)cc1 442636893 VGTRHTRTJAAINS-UONOGXRCSA-N 244.338 2.656 30 20 BFED C=C[C@H](C)NC(=O)N(C)CC1CCCCC1 464758936 UDDBFWGPJDUUSS-NSHDSACASA-N 224.348 2.783 30 20 BFED C=CCCN(C)Cc1ccc(C#N)c(C)c1 488996501 YPKOAGQLWZKCRL-UHFFFAOYSA-N 214.312 2.875 30 20 BFED C#C[C@H](CC)NC(=O)CCCc1ccc(C)s1 491708567 OUKMRZOZZGNCPD-GFCCVEGCSA-N 249.379 2.907 30 20 BFED C=CCn1nnnc1S[C@H]1CCC(C)(C)C1 519541605 KUAURXFPGKDSPD-VIFPVBQESA-N 238.360 2.530 30 20 BFED CCC(C#N)(CC)C(=O)N1CC(C2CCC2)C1 529361683 XSGIRPAJYRJIMX-UHFFFAOYSA-N 234.343 2.575 30 20 BFED CC[C@@](C)(C#N)C(=O)Nc1cc(O)ccc1C 529922890 ROXBZHOZWLOFLV-ZDUSSCGKSA-N 232.283 2.579 30 20 BFED CC#CCCNC(=O)C[C@H]1CCCC[C@@H]1C 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2.865 30 20 BFED CC(C)C[C@H](C#N)NC(=O)[C@H](C)C1CCCC1 610521123 FUOSWKRNARLYSD-DGCLKSJQSA-N 236.359 2.867 30 20 BFED CCc1nnc(COc2cccc(C#N)c2)s1 612011520 VEDGHRSARMIXBT-UHFFFAOYSA-N 245.307 2.551 30 20 BFED CC(C)C[C@H](C#N)NC(=O)[C@@H]1C[C@]1(C)C(C)C 614123977 WUBKVLJBUXNIAS-MBNYWOFBSA-N 236.359 2.723 30 20 BFED C=CCC[C@H](O)CN(C)c1ccccc1C 622765315 ZVHZTYWKWYSOII-ZDUSSCGKSA-N 219.328 2.758 30 20 BFED C=CCN(C(=O)c1ccnc(C)c1)C(C)(C)C 622945213 XFQHHWWXOQVGJS-UHFFFAOYSA-N 232.327 2.817 30 20 BFED CC#CCCNC(=O)N(C)[C@H]1CCCC[C@H]1C 681538388 NTIHTJHXWCVWFB-OLZOCXBDSA-N 236.359 2.620 30 20 BFED C#Cc1cccc(N(C)C(=S)NCCCC)c1 728448326 SGHOLBASXTTXHQ-UHFFFAOYSA-N 246.379 2.779 30 20 BFED CO[C@@H]1CCCCC1=NNc1ccc(F)cn1 731320411 ZROJWALFKGKVIS-LLVKDONJSA-N 237.278 2.578 30 20 BFED C#CCSCCNc1nc2cc(C)ccc2o1 739898961 VEDVEAWVWJNZLT-UHFFFAOYSA-N 246.335 2.915 30 20 BFED C=CCNC(=S)N[C@@H](C)C1CCCCC1 741487542 KHJSTLDCZGOLDJ-JTQLQIEISA-N 226.389 2.605 30 20 BFED C=CCNC(=S)N1C[C@H](C)[C@@H]1c1ccccc1 743024819 FAYUADHFBJTORG-WCQYABFASA-N 246.379 2.740 30 20 BFED C=CCC[C@H](NCCN1CCC[C@H]1C)C1CC1 747870323 RPRMCWLJZAZUJY-HIFRSBDPSA-N 236.403 2.805 30 20 BFED CC[C@@H](C#N)OC(=O)[C@H](C)C1CCCC1 753424024 RSUGXFDHKWLPRR-KOLCDFICSA-N 209.289 2.658 30 20 BFED C#CCOCCN[C@H](c1ccccc1C)C(C)C 753761340 MFKIPIWBONEUPL-INIZCTEOSA-N 245.366 2.932 30 20 BFED Cc1ccc(O)c(C=NOCc2cccnc2)c1 755800623 DCSDEUJLRVULOS-UHFFFAOYSA-N 242.278 2.646 30 20 BFED COc1ccc(C=NO[C@@H]2CCCCO2)s1 755821200 PTZWAZOGNANPNW-SNVBAGLBSA-N 241.312 2.634 30 20 BFED COCCC(=NNc1cc(C)ccn1)C(C)C 756828212 ZCLMOLUZPGPSBA-UHFFFAOYSA-N 235.331 2.850 30 20 BFED CC1(C)CC(=NOCC(F)F)C(C)(C)O1 758903670 NTQKRIHDVOJSCA-UHFFFAOYSA-N 221.247 2.602 30 20 BFED C[C@@H](C=NNc1ccc([N+](=O)[O-])cc1)CCC#N 765992032 FPOVLEKWZFLOQW-SNVBAGLBSA-N 246.270 2.932 30 20 BFED C[C@@H](C#N)CNN=C1CCCCC1(C)C 771101940 AYFPBKIIBBTGPS-JTQLQIEISA-N 207.321 2.692 30 20 BFED N#CCOC(=O)C1(Cc2ccc(Cl)cc2)CC1 771171135 MHZOECAJHVOYGD-UHFFFAOYSA-N 249.697 2.729 30 20 BFED C=CCCOC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C 772659811 HPUGPVICEAWNDZ-NEPJUHHUSA-N 238.327 2.747 30 20 BFED CC[C@@H]1CC(=NOC2CCCC2)CCO1 774603373 QEMCMSCRNHUZHV-LLVKDONJSA-N 211.305 2.891 30 20 BFED COc1ccc(C=NOCCC(F)(F)F)cc1 777459095 FYSSMGMVKVFLGB-UHFFFAOYSA-N 247.216 2.998 30 20 BFED COC[C@H](C)NN=Cc1ccccc1C1CC1 777892971 HRIXBKWNGSLABZ-NSHDSACASA-N 232.327 2.522 30 20 BFED CC(C)c1cnc(CN2CCC(CC#N)CC2)o1 782089168 QWCZTPMIWQPUMU-UHFFFAOYSA-N 247.342 2.924 30 20 BFED CC[C@@H](C)CON=C(C)c1cnoc1C 793145701 LYDZYFSMBNDGOO-MRVPVSSYSA-N 210.277 2.770 30 20 BFED C=CCNN=Cc1cccc(-c2cccnc2)c1 794992774 HWHWZFYHMKPPKT-UHFFFAOYSA-N 237.306 2.858 30 20 BFED COCCCON=C1CC[C@H](C)[C@H](C)C1 795047854 APJXPZRVILGRML-WDEREUQCSA-N 213.321 2.852 30 20 BFED CC#CCCOC(=O)C[C@H]1CCC[C@H](OC)C1 796048149 IEFWWFWFQYBAOX-STQMWFEESA-N 238.327 2.538 30 20 BFED C=C(C)CCOC(=O)[C@H](OC)[C@H](C)CC 796735783 KTVINJXJIYHLJC-GHMZBOCLSA-N 214.305 2.557 30 20 BFED C=CCOCCOC(=O)C[C@@H]1CCCC[C@@H]1C 797312473 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COc1cc(CN[C@@H](C)CC(C)(C)C#N)ccn1 829179792 PAZVADGBBFRTIA-NSHDSACASA-N 247.342 2.508 30 20 BFED O=C(O)c1ccc(/C=C\C(=O)C2CCCCC2)[nH]1 833312227 MQCMOQDKNNNPCS-CLFYSBASSA-N 247.294 2.876 30 20 BFED CCCCCCCN[C@@H](C)Cc1cnccn1 834702932 YRAINNRFYBRCCR-ZDUSSCGKSA-N 235.375 2.968 30 20 BFED C[C@@H]1CC(=NNc2cccc(F)c2)[C@@H](C)O1 834943502 CAVSBNQBDLFDEH-RKDXNWHRSA-N 222.263 2.791 30 20 BFED CC(C)CON=C1CCOC2(CCC2)C1 834966376 NPNYVEWIEBCOKL-UHFFFAOYSA-N 211.305 2.748 30 20 BFED CC(C)ON=Cc1cccc(Cl)c1O 834999744 DUKUTNZTDXAVKS-UHFFFAOYSA-N 213.664 2.805 30 20 BFED CC[C@H](CC(F)(F)F)C(=O)O[C@H](C)CC#N 835159794 UJLGCUCBGYNHIL-HTQZYQBOSA-N 237.221 2.810 30 20 BFED C=CC(C)(C)COC(=O)[C@@H]1O[C@H](C)C[C@H]1C 835720936 FDJUCTZKURRJNV-GMTAPVOTSA-N 226.316 2.555 30 20 BFED C=CCCOC(=O)c1cc(C)cc(C(=O)OC)c1 838466413 LYZONDHHASHXET-UHFFFAOYSA-N 248.278 2.515 30 20 BFED C#CCCCNC(=O)NC1(CC)CCCCC1 838499126 GXZFPUHSYSNGBC-UHFFFAOYSA-N 236.359 2.812 30 20 BFED COC1CCC(/N=C\c2ccccc2O)CC1 840712114 VXXUCGBIYHAFGB-GDNBJRDFSA-N 233.311 2.769 30 20 BFED CCC(=NNC(=S)NC(C)(C)C)[C@H]1C[C@@H]1C 841611417 RCBBLWSIWNQGDD-IUCAKERBSA-N 241.404 2.671 30 20 BFED C=C[C@H](CC)OC(=O)CCc1scnc1C 842328610 GSPDXESSJSZXKN-SNVBAGLBSA-N 239.340 2.892 30 20 BFED C#C[C@H](OC(=O)COC(C)(C)C)c1ccccc1 842363841 BRYYJQYPVIXBLX-ZDUSSCGKSA-N 246.306 2.719 30 20 BFED CCC(Cc1ccc(C)cc1)=NN(C)[C@H](C)CO 842541069 OPFDTBXZUPKTAV-CYBMUJFWSA-N 248.370 2.616 30 20 BFED C=C(CC)Cn1cc2c(c(C#N)c1=O)CCCC2 842572879 JAWUPMXWTXKNQY-UHFFFAOYSA-N 242.322 2.565 30 20 BFED C#CCCCC(=O)Oc1cccc2c1OCCC2 842947951 FVMBXBXCBMNDII-UHFFFAOYSA-N 244.290 2.721 30 20 BFED C#CC1CCN(C(=S)Nc2ccccc2)CC1 843283394 TUDWUZLSFPRSBK-UHFFFAOYSA-N 244.363 2.729 30 20 BFED CCCCCCC(=O)Nc1cccc(C#N)n1 843613107 YWHKYEXFJCBDQC-UHFFFAOYSA-N 231.299 2.862 30 20 BFED C=C(C)CONC(=O)N(C(CC)CC)C1CC1 845602245 IEKJMKJIAMRFLV-UHFFFAOYSA-N 240.347 2.857 30 20 BFED C#Cc1ccc(CN2CCC[C@H](F)C2)cc1 846119945 KYUZJAMWVVZXHC-AWEZNQCLSA-N 217.287 2.602 30 20 BFED C=C[C@@H](C)ONC(=O)C1CCCCCC1 846551993 YYUULNXLCIIMCD-SNVBAGLBSA-N 211.305 2.579 30 20 BFED C=C[C@@H](C)ONC(=O)Cc1cccc(C2CC2)c1 846555663 XNHKBUVYGSTQIV-LLVKDONJSA-N 245.322 2.729 30 20 BFED C=C(C)COC(=O)c1ccc(CF)cc1 849861903 RXMRXGKWGFNBPH-UHFFFAOYSA-N 208.232 2.889 30 20 BFED C=C(C)[C@H](C)OC(=O)c1ncnc2ccsc12 850945191 CLQDYRHGMWOIJE-QMMMGPOBSA-N 248.307 2.813 30 20 BFED C#C[C@@H](CC)OC(=O)CC1(C#N)CCCCC1 850954057 KIRLNZRKLRVADN-LBPRGKRZSA-N 233.311 2.806 30 20 BFED C#CCOCCN1CC[C@H](C)[C@@H]2CCCC[C@@H]21 851725532 FLTCKAQYGQPVQZ-KKUMJFAQSA-N 235.371 2.537 30 20 BFED C#C[C@](C)(CC)N[C@H](C)c1nc(CCCC)no1 852099292 JHJSLZAOFGFPNJ-BXUZGUMPSA-N 249.358 2.865 30 20 BFED CCCCCCCCN(C)Cc1cn(C)nn1 852552927 JGPHXTUWDGPSAB-UHFFFAOYSA-N 238.379 2.607 30 20 BFED CC[C@H]1COCC1=NNCCCc1ccccc1 853303091 NDEIACOLLIGNFI-AWEZNQCLSA-N 246.354 2.621 30 20 BFED COc1cc(C(C)=NN2CCCC[C@H]2C)ccn1 853379250 HHTVDAZUMVWLIK-LLVKDONJSA-N 247.342 2.689 30 20 BFED C#C[C@H](CC)NC(=O)N(CC(C)C)CC(C)C 854069974 FYKFSUGXFUSTRH-CYBMUJFWSA-N 238.375 2.722 30 20 BFED O=C(C#Cc1cccs1)N1C[C@@H]2CCCC[C@@H]21 855061722 OWYKFHBBCZQZOO-AAEUAGOBSA-N 245.347 2.501 30 20 BFED C#CCCOC(=O)N1CCC2(CCCC2)CC1 859002419 YOJXJYULEWUUFK-UHFFFAOYSA-N 235.327 2.803 30 20 BFED C=C(C)C[C@@H](NCC1CCC(C)CC1)C(=O)O 864529167 DWNLTNVNFZCMRX-WXRRBKDZSA-N 239.359 2.822 30 20 BFED Fc1cnc(NN=C2CCC[C@H]2F)c(F)c1 872381422 OUKOHXBGLFHWNL-SSDOTTSWSA-N 229.205 2.650 30 20 BFED CC(CCC(C)C)=NNc1cc(C)nc(N)n1 872419450 IUTAUEQYNZXIPD-UHFFFAOYSA-N 235.335 2.591 30 20 BFED C[C@@H](CCC#N)CN[C@H](C)c1ccc[nH]1 877125230 ZXQKQZTZVOVDRG-WDEREUQCSA-N 205.305 2.605 30 20 BFED C=CC(C)(C)CC(=O)N1[C@H](C)CC[C@H]1C 879145349 SZXZUGUVQWKVEM-GHMZBOCLSA-N 209.333 2.988 30 20 BFED C=CC[C@H]1CCCN(C(=O)NC[C@@H]2C=CCC2)C1 883784193 OKLUWBNVPDGFKE-KGLIPLIRSA-N 248.370 2.950 30 20 BFED C#Cc1ccc(NC(=O)[C@]2(C)CCCCO2)cc1 891313000 DUCQLQVZUPEMFL-HNNXBMFYSA-N 243.306 2.566 30 20 BFED CCC#CCOC(=O)Cc1ccc(C)c(OC)c1 893832514 ADZXRYRVINVPTC-UHFFFAOYSA-N 246.306 2.503 30 20 BFED CN(C[C@H]1CC1(C)C)c1ccc(C#N)cc1CO 894651774 VBTVMLKCQMHMEM-CYBMUJFWSA-N 244.338 2.533 30 20 BFED C=C1CC(c2noc(CN3[C@H](C)CC[C@H]3C)n2)C1 896884421 QOXFAVANLHHQQD-GHMZBOCLSA-N 247.342 2.876 30 20 BFED C=CCC[C@H](N[C@H](CC)CCCC)C(=O)O 901690531 PLTPUMNKGVHHGJ-NEPJUHHUSA-N 227.348 2.964 30 20 BFED C=CCC[C@H](N[C@@H]1CC[C@H](C)[C@H](C)C1)C(=O)O 901693944 XFCDNRDQUXXMKF-LOWDOPEQSA-N 239.359 2.820 30 20 BFED C=CCC[C@@H](CC)N[C@@H](CC1CC1)C(=O)O 901789485 JBLRZICNHJYABX-NEPJUHHUSA-N 225.332 2.574 30 20 BFED C=C[C@H](CC)CC(=O)OCc1cnc(C)nc1C 904364397 XALXFAIZVUDQIT-GFCCVEGCSA-N 248.326 2.739 30 20 BFED C=CC(C)(C)CNC(=O)c1c(C)cc(C)nc1C 908939185 HEDBKKZQZJLJMZ-UHFFFAOYSA-N 246.354 2.949 30 20 BFED C=CC[C@H](C(=O)N1CC=CC1)c1ccccc1 910011115 CPYLMIAOTOXCAB-AWEZNQCLSA-N 227.307 2.745 30 20 BFED CC#CCOC(=O)CCc1ccc(SC)cc1 910201561 WVPIPUNDYJQIBF-UHFFFAOYSA-N 248.347 2.908 30 20 BFED CC[C@@H](C)N(C)C(=O)/C=C\c1ccccc1C#N 914529455 JMUDIWOAPCZLTD-ZWLSGLHFSA-N 242.322 2.828 30 20 BFED C=CCN(C(=O)c1ccc2c(c1)CCO2)C(C)C 915155240 KGTKHKHDAFRWPW-UHFFFAOYSA-N 245.322 2.658 30 20 BFED Cc1n[nH]c(C)c1C=NOCc1ccccc1 915960043 OMOAJUBBCIZWMZ-UHFFFAOYSA-N 229.283 2.577 30 20 BFED CCCNN=C/C=C/c1ccccc1[N+](=O)[O-] 915965980 UDEMPGTXPWGRFG-VLOKCXANSA-N 233.271 2.593 30 20 BFED CC(C)(C)NC(=S)NN=C[C@@H]1CC=CCC1 916343300 AYPBUUDKQXZVKO-SNVBAGLBSA-N 239.388 2.591 30 20 BFED CCC/C(C)=C/C(=O)N(C)C1(C#N)CCC1 921165509 LMDRZNUSFXAITR-PKNBQFBNSA-N 220.316 2.637 30 20 BFED C[C@H](CC(C)(C)C#N)NCC1(CC#N)CC1 926344335 KMYXAWHJQZMBNA-LLVKDONJSA-N 219.332 2.598 30 20 BFED C[C@@H]1CN(CCCCC2(C#N)CCC2)CCO1 929108153 AHOYQONJPWPHIB-CYBMUJFWSA-N 236.359 2.571 30 20 BFED C#CC(C)(C)NC(=O)[C@@H](C)c1ccccc1C 932755598 ZKHWHSPHDFZNHZ-LBPRGKRZSA-N 229.323 2.627 30 20 BFED C=C[C@H](CC)CC(=O)NCCCC1CC1 933171965 CAXHTBPXFGAESV-LLVKDONJSA-N 209.333 2.895 30 20 BFED C=C[C@@H](CC)CC(=O)N(C)CCCOC(C)C 933365029 OEZXFXNONZIZTE-ZDUSSCGKSA-N 241.375 2.862 30 20 BFED C=C[C@H](CC)CC(=O)NC1(CC)CCOCC1 935139527 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30 20 BFED C=CC[C@@H](N[C@@H](C)C1CCCC1)C(=O)OCC 1256332713 URVDGHYFJDVOAN-WCQYABFASA-N 239.359 2.663 30 20 BFED COCCC(C)(C)CNc1cccc(CC#N)n1 1320359414 HMWINPREMGSFTR-UHFFFAOYSA-N 247.342 2.622 30 20 BFED CCCCCCCCNC(=O)[C@@]1(F)CCOC1 1324045237 GZRMSBHAAACHJS-CYBMUJFWSA-N 245.338 2.592 30 20 BFED C=CC[C@@H](NCc1ccc(C2CC2)cc1)C(=O)O 1333124450 ILNAHVRMNJVBDX-CQSZACIVSA-N 245.322 2.683 30 20 BFED C#CCN(CC1CC1)C(=O)c1sc(C)cc1C 1335528277 GHEHXVRXCFTEFD-UHFFFAOYSA-N 247.363 2.850 30 20 BFED CC1=CCC[C@H](C)[C@@H]1C=Nn1nnc(C)c1C 1336983484 XTRLRXQXEOVGGK-GXFFZTMASA-N 232.331 2.721 30 20 BFED CC1(CC(=O)Nc2cnc(Cl)cc2C#N)CC1 1337425519 ZMLLEVFAVLVWSY-UHFFFAOYSA-N 249.701 2.735 30 20 BFED CC[C@H](C)[C@H](C)NC(=O)CC#Cc1ccccc1 1340376856 QZNXBKSJMBUKAK-KBPBESRZSA-N 243.350 2.979 30 20 BFED N#C[C@H](C(=O)c1ccsc1)c1cccc(F)n1 1342637538 NZKMUEAIFIUGNG-VIFPVBQESA-N 246.266 2.772 30 20 BFED C=C(C)CCC(=O)N[C@H](C)CC(C)(C)OC 1358006822 QZDKBPMUMMBMSD-LLVKDONJSA-N 227.348 2.663 30 20 BFED 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248.374 2.968 30 20 BFED C=CC[C@H](C)NCc1ccc(C(C)(C)O)cc1 284853591 AGJHPIZKJPDGFD-LBPRGKRZSA-N 233.355 2.968 30 20 BFED CO[C@@H](C)CN(C)c1ccc(C#N)c(Cl)c1 286240240 CVGHMTUBPJMPOI-VIFPVBQESA-N 238.718 2.683 30 20 BFED C=CCCCCCN(C)C(=O)CCc1ncc[nH]1 287531447 IDJPWOLWTRHZON-UHFFFAOYSA-N 249.358 2.547 30 20 BFED C#CCN(C)Cc1ccc(C(C)C)nc1C 294514064 IVZBVKCMUCVUIC-UHFFFAOYSA-N 216.328 2.578 30 20 BFED C=CCC(C)(C)CNC(=O)Nc1ccncc1 296130870 CPRFBCUGQKLNFW-UHFFFAOYSA-N 233.315 2.805 30 20 BFED C#C[C@@H](C)NC[C@@H](C)c1cc(F)cc(F)c1 296674930 GLSUYTHIUAGCDS-NXEZZACHSA-N 223.266 2.680 30 20 BFED C=CCCc1noc(-c2ccn(C(C)C)n2)n1 297298261 MEPSLSWSJSKLKK-UHFFFAOYSA-N 232.287 2.633 30 20 BFED N#Cc1ccc([N+](=O)[O-])c(Oc2cccnc2)c1 302198964 GGMIOHLYAFJECW-UHFFFAOYSA-N 241.206 2.654 30 20 BFED C#CCCCN[C@@H](C)c1cccnc1Cl 309153110 WUGQUILGEVSASD-JTQLQIEISA-N 222.719 2.799 30 20 BFED CC1(C)CCC(Cn2cccc(C#N)c2=O)CC1 310758989 MBCSYPIWRPPTSI-UHFFFAOYSA-N 244.338 2.936 30 20 BFED C=C(CC)CNc1ncc(C(=O)OCC)s1 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BFED C=CCOCCN1Cc2ccccc2C[C@H]1C 339005629 TXPUYSQACOZQIO-CYBMUJFWSA-N 231.339 2.636 30 20 BFED CCC[C@H](C#N)N(C)C(=O)CCC(C)C 339172611 XKWHHDCLYOZDDH-LLVKDONJSA-N 210.321 2.573 30 20 BFED CC[C@@H](C)N(C)C(=O)c1ccc(CC#N)cc1 340121281 RXWJECHKMRJZDN-LLVKDONJSA-N 230.311 2.623 30 20 BFED C=CC[C@@H](CC)NC1CCC(C(=O)OC)CC1 343508165 QCXAVDKGDDJWMH-OTTFEQOBSA-N 239.359 2.663 30 20 BFED CC(C)(C#N)CCCN1CC[C@@](C)(F)C1 347395857 UJLLSQLPDZWPKI-GFCCVEGCSA-N 212.312 2.750 30 20 BFED C=CCCc1nc(-c2ncccc2SC)no1 350929413 VPEOSCAWMGEMAU-UHFFFAOYSA-N 247.323 2.972 30 20 BFED C=C(C)CCN1CCC(C)(COC)CC1 351751708 CZKMJQWIBUPLTL-UHFFFAOYSA-N 211.349 2.701 30 20 BFED C=CCCCC(=O)NCc1ccncc1CC 352572222 FJWHKXALDWOCRI-UHFFFAOYSA-N 232.327 2.617 30 20 BFED CO[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@@H](C#N)C1 361462360 GVUOPBRCZDCOCQ-ZOBORPQBSA-N 236.359 2.616 30 20 BFED C=CCCCN1C[C@H](N2CCCC2)C[C@H]1C 368511277 JFWVCCDGGFMBPD-ZIAGYGMSSA-N 222.376 2.511 30 20 BFED C=CCCCCNc1nccnc1Cl 379511992 ZCQUGNGYASFFOP-UHFFFAOYSA-N 211.696 2.898 30 20 BFED C=CC(C)(C)CNCc1ccc(C)cn1 385034240 LQTVMISWAZKEIT-UHFFFAOYSA-N 204.317 2.692 30 20 BFED C=CC(C)(C)CNCc1ccncc1C 385221396 RQPUAFLSVMDXGD-UHFFFAOYSA-N 204.317 2.692 30 20 BFED Cc1cc(=N[C@H]2C[C@@]2(C)C(C)C)c(C#N)c[nH]1 399463411 WDJYLKQXEYOGRV-KBPBESRZSA-N 229.327 2.530 30 20 BFED CCC[C@H](C#N)N(C)C(=O)C[C@@H]1CC[C@H]2C[C@@H]12 410833866 IJZALSCCMCCSDU-WUHRBBMRSA-N 234.343 2.573 30 20 BFED Cc1cccc(CN(C)[C@H](C)CCC#N)n1 411393378 SGUXCUXFYCYJKP-GFCCVEGCSA-N 217.316 2.514 30 20 BFED CCS[C@H]1CCCC[C@@H]1NCCC#N 411555571 HIXXTSREYXPXLD-QWRGUYRKSA-N 212.362 2.554 30 20 BFED CCN(CCC1(C#N)CCCCC1)C1COC1 411781224 FXJWBDAWQKIIQC-UHFFFAOYSA-N 236.359 2.571 30 20 BFED C=C(CC)CN1C[C@@H](O)C[C@@H]1c1ccccc1 411926437 PSNJNGFCZSGCQO-LSDHHAIUSA-N 231.339 2.761 30 20 BFED CO[C@H](CC(C)C)C(=O)Nc1ccc(C#N)cc1 414659399 MVRMBMVVOBFJFC-CYBMUJFWSA-N 246.310 2.558 30 20 BFED C=CCC[C@@H](N[C@@H]1C[C@H]1C1CCNCC1)C1CC1 423438198 MTJFPEJVXOOOIL-ARFHVFGLSA-N 248.414 2.709 30 20 BFED 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30 20 BFED C=C[C@@H](C)ON=Cc1ncc(CC)s1 844619842 DXTVEVXOTXJVGN-MRVPVSSYSA-N 210.302 2.631 30 20 BFED C=C(C)CONC(=O)c1ccc(Cl)cc1C 846536498 NZIJKANSWAJDBU-UHFFFAOYSA-N 239.702 2.886 30 20 BFED CC[C@H](CC#N)NCc1ccc(N(C)CC)cc1 846984113 WXNQIKZJOVNKHW-CQSZACIVSA-N 245.370 2.925 30 20 BFED C[C@@H](C#N)COC(=O)c1cccc(C2CC2)c1 847665981 XNWCHEZUUQOUCX-JTQLQIEISA-N 229.279 2.880 30 20 BFED C#CCCOc1ccc(CN[C@@H]2C=CCC2)cc1 850359146 XRPKIKMHQUMTCN-OAHLLOKOSA-N 241.334 2.897 30 20 BFED CC(=O)c1cc(NC(=O)C#CC(C)C)ccc1F 854419342 DIQLTSVVXHUYQJ-UHFFFAOYSA-N 247.269 2.626 30 20 BFED CC(C)C#CC(=O)Nc1scnc1C(C)C 854847460 CYAZOBRGXOPBHF-UHFFFAOYSA-N 236.340 2.864 30 20 BFED C=CCN(CCC#N)C(=O)OC1CCCCC1 867297015 ZLEGCDZJPYPKDD-UHFFFAOYSA-N 236.315 2.857 30 20 BFED C=CCC[C@@H](OC(=O)c1nocc1C)C1CC1 870251285 KLVODPMCMVLFDU-LLVKDONJSA-N 235.283 2.885 30 20 BFED CCN(Cc1ccc(C)cc1O)C[C@@H](C)C#N 876617130 GAPRQQYKLMORRN-LBPRGKRZSA-N 232.327 2.682 30 20 BFED C#CCCCCCCNCC(C)(C)C#N 877322311 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2.748 30 20 BFED CS[C@@H]1CCCC[C@H]1N[C@@H]1CC[C@@H](C#N)C1 593654988 ZNLXNFWZFWBOEW-FDYHWXHSSA-N 238.400 2.942 30 20 BFED CC[C@H](C#N)N(C)C(=O)[C@H]1CC[C@H](CC)CC1 594088514 QYBUOXNVMNZYCH-JHJVBQTASA-N 236.359 2.963 30 20 BFED CCCCS[C@H](C)C(=O)N(CC)[C@H](C)C#N 598356074 JZLBHLLIPHRIOD-GHMZBOCLSA-N 242.388 2.669 30 20 BFED CC(C)N(C[C@H](O)CC(C)(C)C#N)C1CCC1 598596720 UOSDQKCIUWPTOK-CYBMUJFWSA-N 238.375 2.550 30 20 BFED CCN(C(=O)c1cc(F)ccc1C)[C@@H](C)C#N 598882100 KSJPCXGCIDEKIY-JTQLQIEISA-N 234.274 2.508 30 20 BFED C[C@H](CCC#N)CN(C)CCC1CCOCC1 602470352 CGVSOVOBMWEURN-CYBMUJFWSA-N 238.375 2.675 30 20 BFED Cc1cc([C@@H]2CCCN2CC2(CC#N)CC2)on1 602765428 LHIRLXTZZVUFCZ-LBPRGKRZSA-N 245.326 2.814 30 20 BFED C=CCN(CCC#N)C(=O)Nc1ccsc1C 603083999 YLSKTJBZNUGHPK-UHFFFAOYSA-N 249.339 2.990 30 20 BFED CC[C@@H](CNc1ccc(C#N)cc1COC)OC 603380750 SJYZXQMEJLXPMT-ZDUSSCGKSA-N 248.326 2.542 30 20 BFED C[C@@H](C#N)CNC(=O)c1ccc(C(F)F)cc1 609523949 BOYWPAFCOSMEMU-QMMMGPOBSA-N 238.237 2.514 30 20 BFED 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C=CC[C@@H]1CCCN(c2ncccc2C(=O)O)C1 662883193 JUCWCSQCSOGSFI-LLVKDONJSA-N 246.310 2.572 30 20 BFED CCc1cnc(CN(CCC#N)CC(C)C)o1 686621508 VGPQEWIPLGZENX-UHFFFAOYSA-N 235.331 2.609 30 20 BFED C#CCCCCC(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C 692918962 SVTMYYPLHSNYLA-XQQFMLRXSA-N 221.344 2.683 30 20 BFED CS[C@H](C)CN[C@@H](C)CC(C)(C)C#N 695778612 MGWYLWANNNBMBI-VHSXEESVSA-N 214.378 2.656 30 20 BFED Cn1ccc2c(C(=O)OCCCC#N)cccc21 727025682 NDWCYDFMVJGLHL-UHFFFAOYSA-N 242.278 2.639 30 20 BFED C#CCCCOC(=O)CO[C@@H]1CCC[C@@H](C)C1 733052344 IMYDTQKTBSNTDW-CHWSQXEVSA-N 238.327 2.538 30 20 BFED CON=Cc1cc(C(F)(F)F)ccc1F 733203664 VCBTXGVEFHZKHN-UHFFFAOYSA-N 221.153 2.825 30 20 BFED C=CC[C@H](NC(=O)CC(C)C)c1ccncc1 734234165 IHDNCEMIJNJZLW-ZDUSSCGKSA-N 232.327 2.861 30 20 BFED CCc1ccc(/C=C\C(=O)c2cnccn2)s1 734753666 ZZEJYOPONLKOQS-WAYWQWQTSA-N 244.319 2.997 30 20 BFED CC(C)C[C@@](C)(C#N)NC(=O)C=C1CCCC1 749616615 YSMLBYNJSMVUIW-AWEZNQCLSA-N 234.343 2.931 30 20 BFED C#CC(=O)NCC1CCC(c2ccccc2)CC1 754021315 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232.327 2.700 30 20 BFED CC[C@@H](C#N)OC(=O)c1c[nH]c2ccc(C)cc12 781205549 FUXNVFWGAPRPEZ-JTQLQIEISA-N 242.278 2.935 30 20 BFED CCCNN=Cc1cnc(-c2ccco2)s1 782198278 BFHJIPOKABERDE-UHFFFAOYSA-N 235.312 2.737 30 20 BFED O=[N+]([O-])c1ccc(C=NOC2CCCC2)s1 782226967 CBPYRZSHSXZHGS-UHFFFAOYSA-N 240.284 2.949 30 20 BFED C=CCCCCCOC(=O)[C@@H](C)OCC 782883212 IVNCDBODXIPWMD-LLVKDONJSA-N 214.305 2.701 30 20 BFED COc1ccnc(NN=C[C@H]2CCCC[C@H]2C)n1 783824313 PYKPNEFLANUQSZ-GHMZBOCLSA-N 248.330 2.709 30 20 BFED CCC(=NNc1ccc(F)cc1)c1cn[nH]c1 788952387 XUPNVFKOZAEVPR-UHFFFAOYSA-N 232.262 2.775 30 20 BFED Cc1cc(C(=O)/C=C\c2cccc(C#N)c2)no1 791433790 STXQOBKTYSMKHU-WAYWQWQTSA-N 238.246 2.751 30 20 BFED C[C@H](NN=Cc1c[nH]c2ncccc12)C(C)(C)C 793112481 SUSJHAGOFHJYSL-JTQLQIEISA-N 244.342 2.921 30 20 BFED C#CCCCC(=O)N(CC)[C@H](C)C(F)(F)F 794210657 OCKKKINLDJUIJS-SECBINFHSA-N 235.249 2.589 30 20 BFED CC(C)[C@@H]1CCCC(=NN[C@@H]2CCOC2)C1 794538799 WUTRVSCIAVVVMJ-DGCLKSJQSA-N 224.348 2.567 30 20 BFED C#CCCCNC(=O)Nc1ccc(F)c(CC)c1 806556150 OIVFLHPDPBCRRF-UHFFFAOYSA-N 248.301 2.923 30 20 BFED C#Cc1ccc(CNCCOCC2CCC2)cc1 809641031 UPSNJIGFDZKDCP-UHFFFAOYSA-N 243.350 2.574 30 20 BFED C=CC[C@@H](NCc1n[nH]cc1C)c1ccncc1 810146537 SWEAPHPCZHFYDF-CYBMUJFWSA-N 242.326 2.520 30 20 BFED C(=NNc1ccccc1)[C@@H]1CCCOC1 814684073 CCWLSPRIRHKNKC-NSHDSACASA-N 204.273 2.511 30 20 BFED Cc1cccc(C=NO[C@H]2CCCCO2)c1O 814887642 QABQYDLAFCPVNY-LBPRGKRZSA-N 235.283 2.578 30 20 BFED CC(Cn1cccn1)=NOCc1ccc(F)cc1 814903522 NHEIQBZIOORPFB-UHFFFAOYSA-N 247.273 2.615 30 20 BFED CC(C)[C@@H]1CC(=NNCC(F)(F)F)CS1 814904728 WLRBSOOFRBHQIN-QMMMGPOBSA-N 240.294 2.656 30 20 BFED CC(=NN[C@@H]1CCC[C@H]1O)[C@@H]1CCCC[C@H]1C 817338178 CTAKBOLICUGCHX-FMKGYKFTSA-N 238.375 2.692 30 20 BFED C[C@@H]1SCCC1=NN[C@@H](C)c1ccncc1 819819340 XOZPGVOVZKTFDT-UWVGGRQHSA-N 235.356 2.614 30 20 BFED C[C@@H]1CCCC[C@H]1C(=O)OC1(C#N)CCC1 820226198 HOSIGQOFRIHWQU-GHMZBOCLSA-N 221.300 2.802 30 20 BFED CCN(CC#N)Cc1cc(Cl)c(C)cc1O 824605318 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C[C@H](C(=O)OCC(C)(C)CC#N)C1CCC1 838856511 CJDXSYXDZNYSJO-JTQLQIEISA-N 223.316 2.906 30 20 BFED C#CCCN(Cc1ccoc1C)CC(F)(F)F 840937038 DZNIKQXAKNWHHI-UHFFFAOYSA-N 245.244 2.976 30 20 BFED CC(C)CC(=NN(C)C[C@@H](C)O)c1ccccc1 841651879 JHAFNRHHOMBXLL-CYBMUJFWSA-N 248.370 2.749 30 20 BFED C#CCON=C(C)[C@@H]1C[C@H]2C=C[C@H]1CC2 842533178 MOPOTBKFAVFDCA-AVGNSLFASA-N 203.285 2.614 30 20 BFED CCCON=C(C)c1ccc2n[nH]cc2c1 842550250 BFIKFACDYYZDSF-UHFFFAOYSA-N 217.272 2.714 30 20 BFED C=CCONC(=O)C[C@H](C)CCC=C(C)C 843901783 OMXKKWOISZWTGZ-GFCCVEGCSA-N 225.332 2.993 30 20 BFED CC[C@H](C)CON=Cc1ccc(O)cc1F 844597451 IKTABPKBRUAAQZ-VIFPVBQESA-N 225.263 2.928 30 20 BFED C=C[C@@H](C)ONC(=O)c1ccc(C)c2c1CCC2 846553613 CTIZTTXHVJSOKL-LLVKDONJSA-N 245.322 2.720 30 20 BFED C/C(=C\c1ccco1)C(=O)OCC1(CC#N)CC1 847655026 YFCPGGXWEJVEQL-PKNBQFBNSA-N 245.278 2.920 30 20 BFED C=CCCCCNC(=N)N1CCCCCC1 849019820 QRKVDWXLYSSEBF-UHFFFAOYSA-N 223.364 2.743 30 20 BFED CC[C@H](C)C(=O)OCCc1ccc(C#N)cc1 849647037 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20 BFED CC(C)CCOC(=O)N1CCC[C@@H](CC#N)C1 859216866 HAARHOXEBYHYMP-LBPRGKRZSA-N 238.331 2.795 30 20 BFED CC[C@H](C)c1ccc(C(C)=NNCC(=O)O)cc1 863117400 RYWGDFJKMAEOGN-JTQLQIEISA-N 248.326 2.598 30 20 BFED CC(C)SCOc1ccc(F)nc1C#N 863335563 KQIZEGMJMFGOBX-UHFFFAOYSA-N 226.276 2.570 30 20 BFED C#CCCNC(=O)[C@H](C)CCc1ccc(F)cc1 865854182 MNTCONMWFWGTHG-GFCCVEGCSA-N 247.313 2.534 30 20 BFED C#CCCCCCCN[C@H]1CCSC1 877072468 MZZQVOAIQZZUPL-LBPRGKRZSA-N 211.374 2.665 30 20 BFED C=CCN(C(=O)Nc1cncc(OC)c1)C(C)C 880560911 AGBXCVHPNFJBPB-UHFFFAOYSA-N 249.314 2.519 30 20 BFED Cc1ccc(N2C[C@H](C)C[C@@H](C)C2)c(C#N)n1 881735409 JHSYVBXNBIOIHL-GHMZBOCLSA-N 229.327 2.744 30 20 BFED CC(=O)c1ccc(C#N)cc1N1C[C@H]2C=C[C@H]1C2 882948327 PFSLIYAXPMBNLG-STQMWFEESA-N 238.290 2.526 30 20 BFED Cc1cccc(F)c1NN=C1COC[C@@H]1C 884450811 UJQPTFMVVVXICD-VIFPVBQESA-N 222.263 2.568 30 20 BFED C=CC(C)(C)CC(=O)OCCc1cscn1 884648637 DHOXWZJUHKDICG-UHFFFAOYSA-N 239.340 2.831 30 20 BFED C=CC(C)(C)CC(=O)OC[C@@H]1CCO[C@@H]1C 884649264 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BFED CC[C@H](CC#N)NC(=O)/C=C/c1ccccc1F 701311596 ZIKSCLGDOFJKGE-ABZNLYFFSA-N 246.285 2.647 30 20 BFED C[C@H](CC(C)(C)C#N)N[C@@H]1CS[C@H](C)C1 709983733 WSZXUIQEVIKTJK-MXWKQRLJSA-N 226.389 2.798 30 20 BFED CC[C@]1(O)CCCN(c2ccc(C#N)cc2C)C1 710627766 SRJXQTJKYUXMDV-HNNXBMFYSA-N 244.338 2.608 30 20 BFED C=C(Cl)CNC(=O)C[C@H](CC)C(C)C 736238390 HYLXCEXPANPMNF-JTQLQIEISA-N 217.740 2.927 30 20 BFED Cc1cc(F)ccc1NN=Cc1ccn(C)c1 750938144 CIDDBKGPMOQCKA-UHFFFAOYSA-N 231.274 2.919 30 20 BFED C=CC[C@H](NC(=O)/C=C/SC)c1ccncc1 751581837 ANAFXFRPRNMHOM-PMDBQALLSA-N 248.351 2.692 30 20 BFED C#C[C@H](CC)NC(=O)NC[C@@H](CC)CCCC 753059711 HWAMPDJBWXKDLI-QWHCGFSZSA-N 238.375 2.914 30 20 BFED C=CCN(C(=O)CCc1ccoc1)C(C)C 753195947 RJUSGTCFGFZVLV-UHFFFAOYSA-N 221.300 2.635 30 20 BFED CCON=C1CCc2c(cccc2OC)C1 754922687 HHZSFJPZNBUKOO-UHFFFAOYSA-N 219.284 2.576 30 20 BFED CCCCCCCCNC(=O)C1(O)CCCC1 755215846 KUSKJQGIDYALAP-UHFFFAOYSA-N 241.375 2.768 30 20 BFED C#CCCCC(=O)NCc1c(C)cccc1C 757979816 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C=CCCCCCC(C)=NN1CCN(C)CC1 788928270 CZMTXUUYDOZWMV-UHFFFAOYSA-N 237.391 2.746 30 20 BFED CC(=NNc1ccccc1)c1cc(C)nn1C 788929340 SMZXDTQOSMZGDN-UHFFFAOYSA-N 228.299 2.565 30 20 BFED CCCCCCCC[S@](=O)CCOC 790211938 QDJLOPBSQORBGY-AWEZNQCLSA-N 220.378 2.742 30 20 BFED COCCN(C)N=C(Cc1ccccc1)C1CC1 794967030 ZPEXJFHQYGFWHM-UHFFFAOYSA-N 246.354 2.573 30 20 BFED C=C(Cl)CN1CC[C@H](c2ccccn2)C1 799197097 RNRUFWMXGPSDRO-NSHDSACASA-N 222.719 2.623 30 20 BFED Cc1ccc(C(=O)N2CC[C@@H]2C(C)C)cc1C#N 799717964 OSCOWFIPYDXKHS-CQSZACIVSA-N 242.322 2.737 30 20 BFED Cc1cc(C(=O)/C=C/c2cn(C)cn2)c(C)s1 800792772 XVDLRXXXMMHCFB-SNAWJCMRSA-N 246.335 2.995 30 20 BFED C=C(CC)CN[C@H]1CCc2ccccc2OC1 801570853 QJYJOMFPFNLANF-AWEZNQCLSA-N 231.339 2.936 30 20 BFED CC(C)C(COC(=O)c1ccc(C#N)[nH]1)C(C)C 802937025 LLVHMFCZMBISQB-UHFFFAOYSA-N 248.326 2.971 30 20 BFED C#Cc1ccc(CN2C3CCC2CC3)cc1 809542996 NLTBSVSQPXVCJJ-UHFFFAOYSA-N 211.308 2.795 30 20 BFED C#Cc1ccc(CN[C@@H](C)[C@@H]2CCCOC2)cc1 809637492 VZIGHMSCPXQIHF-XJKSGUPXSA-N 243.350 2.573 30 20 BFED C#CC[C@@H](NCc1n[nH]cc1C)c1ccccc1 810150817 MDPIWVJCFFSHBF-CQSZACIVSA-N 239.322 2.572 30 20 BFED CO[C@](C)(C=NNc1cccc(C#N)c1)C1CC1 814786345 FPZBDTFZNCJMMB-CQSZACIVSA-N 243.310 2.771 30 20 BFED C[C@H](C#N)CNN=C1CS[C@H](C(C)(C)C)C1 814880557 AJOTXNWTRAUTBW-KOLCDFICSA-N 239.388 2.643 30 20 BFED c1cc2c(o1)CCCC2=NO[C@@H]1CCCCO1 814887920 SWUWOGOUTSKIFX-CYBMUJFWSA-N 235.283 2.863 30 20 BFED C=CCCCCC[C@@H](C)N[C@H](CN)C1CC1 817960251 LATMVWDTBKJFNW-TZMCWYRMSA-N 224.392 2.838 30 20 BFED C#CCC(C)(C)C(=O)N1CC[C@@H](C)C[C@H]1C 819683326 WFKOEBHSYSXWBF-VXGBXAGGSA-N 221.344 2.683 30 20 BFED C#C[C@H](NC(=O)NC1CCCC1)c1ccccc1 825518637 PXSDZNFGPFKXHN-AWEZNQCLSA-N 242.322 2.603 30 20 BFED C#C[C@H](C)NC(=O)[C@H]1CCC[C@@H]1c1ccccc1 828860856 ITVCEPDJLSSQRQ-CFVMTHIKSA-N 241.334 2.708 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@H]1CC12CCC2 828944470 JYRKISUYUQEOEB-QWRGUYRKSA-N 207.317 2.648 30 20 BFED Cc1csc([C@H](C)N[C@@H](C)CCC#N)n1 829172187 KFIGTWMSUPWEKU-WPRPVWTQSA-N 223.345 2.794 30 20 BFED C=C(CC)CNc1cc(C(=O)O)ccc1F 833370683 QATWOUIEIMSOKK-UHFFFAOYSA-N 223.247 2.902 30 20 BFED CC(=NN[C@H]1CCCCC1(C)C)c1ccncn1 834975931 BLBDOHIYBPFPJP-ZDUSSCGKSA-N 246.358 2.759 30 20 BFED C=CCON=C1CCC[C@@H]1C(C)(C)C#N 835014265 DLWSHNIBQAOHOP-JTQLQIEISA-N 206.289 2.895 30 20 BFED C=CCC1(C(=O)OCCn2ccnc2)CCCC1 835349704 JNEQAUHLLWBXKD-UHFFFAOYSA-N 248.326 2.563 30 20 BFED C#CCC(C)(C)C(=O)OC[C@H](C)CSC 835676533 LGFOQLGHNZYODT-JTQLQIEISA-N 228.357 2.578 30 20 BFED C=C(CC)CNC(=O)NC[C@H](C)C(C)(C)C 836307245 PQBCPRWGFKUPCQ-NSHDSACASA-N 226.364 2.934 30 20 BFED C=CCONC(=O)[C@H](F)CC1CCCCC1 837050240 XOAKQDCGRIJZDC-LLVKDONJSA-N 229.295 2.529 30 20 BFED C[C@@H]1CC(=NN[C@H]2CCc3c(F)cccc32)CO1 842536038 MIKJOLYTBCWNLX-OTYXRUKQSA-N 248.301 2.567 30 20 BFED CC(CCC1CCCC1)=NN(C)[C@H](C)CO 842540538 LRAPODFRVYVUII-GFCCVEGCSA-N 226.364 2.645 30 20 BFED C=CC(C)(C)C(=O)OCCc1ncc(C)cc1C 842892452 DMCGRXZESCWHNT-UHFFFAOYSA-N 247.338 2.996 30 20 BFED C=C[C@H](C)ONC(=O)Nc1ccc(CC)cc1 844483893 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Cc1ccc(C=NN2CCCC[C@H]2C)c(O)c1 872388083 BDTFCCGHOJRKKT-GFCCVEGCSA-N 232.327 2.909 30 20 BFED Fc1ccc(Cl)cc1NN=C1CCOC1 872418361 MHKBPWHIUKRBOL-UHFFFAOYSA-N 228.654 2.667 30 20 BFED C=CCCC(=O)Nc1cc(F)ccc1N(C)C 874577821 AMNLAOQDRBCHQM-UHFFFAOYSA-N 236.290 2.796 30 20 BFED C=CC(C)(C)CC(=O)N1CC[C@@H](C)[C@@H]1C 879082073 WIKJWJTVLPDLIC-MNOVXSKESA-N 209.333 2.846 30 20 BFED C=CC1(OC(=O)c2oc(C(C)C)nc2C)CC1 893358501 IQWVHNLMJIVOFP-UHFFFAOYSA-N 235.283 2.982 30 20 BFED C#C[C@H](C)N(C)c1ccc(C(F)(F)F)nc1 893526828 LUHDZGFKIWVUBP-QMMMGPOBSA-N 228.217 2.558 30 20 BFED CC#CCCCC(=O)N(CC(F)F)C1CCC1 895143505 OWLXDKFTDPTBRX-UHFFFAOYSA-N 243.297 2.826 30 20 BFED C=C1CC(c2noc(Cc3ccc(F)cn3)n2)C1 896876307 YPCOBDIALQBASX-UHFFFAOYSA-N 245.257 2.628 30 20 BFED C=C1CN(C(=O)C2=CCC(C)(C)CC2)C1 898703144 KGDVLGHWCJAFLV-UHFFFAOYSA-N 205.301 2.521 30 20 BFED CCn1cc(/C=C\C(=O)c2cscn2)c(C)n1 899365895 FHFLFGFWYDLBRF-PLNGDYQASA-N 247.323 2.564 30 20 BFED CCc1onc(C)c1C=NNc1ccc(C)cn1 901183147 GDGWHIKFQXSBTG-UHFFFAOYSA-N 244.298 2.695 30 20 BFED C=C[C@H](CC)Cc1nc(C(C)(C)COC)no1 904090818 AQMOIGLPXSBDEY-SNVBAGLBSA-N 238.331 2.748 30 20 BFED CCCCN(O)C(=O)c1csc(C2CC2)n1 904210688 XQBSLIYWOHCYCB-UHFFFAOYSA-N 240.328 2.652 30 20 BFED C=C(C)CN(C)C(=O)c1cc(Cl)cn1CC 907243263 NPUMJMYEPCEMMM-UHFFFAOYSA-N 240.734 2.810 30 20 BFED C=CCCC[C@H](N)C(=O)N(C)c1ccc(C)cc1 912243881 KHMIIEDJXXHGEZ-AWEZNQCLSA-N 246.354 2.641 30 20 BFED CC(C)=CCC/C(C)=C\C=NN1CCOCC1 916289671 MFIGZTIEDRWQDU-VXZARNCSSA-N 236.359 2.997 30 20 BFED Cc1nc(C#N)c(NN=C/C=C/c2ccco2)o1 920373449 HAUGISUZZRNYEX-IMPYLRRLSA-N 242.238 2.559 30 20 BFED Cc1nn(C)c(C)c1C=NNc1cccc(F)c1 920384038 NGIOHAUQFNBYBP-UHFFFAOYSA-N 246.289 2.622 30 20 BFED C=CC[C@@H](CC)N[C@H](C)c1cn(C(C)C)nn1 926350016 FYYZJOSBOHRTRY-VXGBXAGGSA-N 236.363 2.864 30 20 BFED C#CCN(C(=O)c1cc(F)ccc1CC)C(C)C 928624567 SSIFRYMYXUBOFF-UHFFFAOYSA-N 247.313 2.872 30 20 BFED N#C[C@]1(F)CCN([C@@H]2CCc3c(F)cccc32)C1 1116738720 BVEYVOAGTWDUKU-ZIAGYGMSSA-N 248.276 2.751 30 20 BFED C/C(=C/C(=O)O[C@H](C)CC#N)c1cccs1 1122425203 PCBVKOJVDDOGMW-HSTULFTRSA-N 235.308 2.997 30 20 BFED C=C[C@H](C(=O)N1CC[C@H]2C[C@H]2C1)c1ccccc1 1123834111 XOQAGFBYUAFHAS-KKUMJFAQSA-N 241.334 2.825 30 20 BFED C=C(CC(C)C)C(=O)NC[C@@H]1CCCSC1 1123879735 HCONNDAFJWMXPQ-LBPRGKRZSA-N 241.400 2.848 30 20 BFED C=CCOC(=O)c1ccc(Cn2cccc2)cc1 1318533573 GLURJJBREUWFFZ-UHFFFAOYSA-N 241.290 2.879 30 20 BFED C[C@@H]1CCCC[C@H]1COC(=O)c1ccc(C#N)[nH]1 1327978097 LTCHAXFPMORMJK-MNOVXSKESA-N 246.310 2.869 30 20 BFED N#CCC1(CSC(=S)N2CCCC2)CC1 1329493381 ULVXCMLZDBRZHZ-UHFFFAOYSA-N 240.397 2.794 30 20 BFED C=CCCC[C@H](C)NCc1ocnc1C 1335109146 GPXSWQBSLSRYPV-JTQLQIEISA-N 208.305 2.817 30 20 BFED C=C(C)CCC(=O)NCc1ccc(C#N)cc1F 1335788327 FGMNLHLZHIKVEO-UHFFFAOYSA-N 246.285 2.670 30 20 BFED C=C1CCN(Cc2ccc(F)c(OC)c2)CC1 1337032482 BFXDYDVDXCJKMD-UHFFFAOYSA-N 235.302 2.986 30 20 BFED C#Cc1ccc(NC[C@@H](CC(C)C)OC)nc1 1337192547 OMGQRDDVPVKHRJ-CYBMUJFWSA-N 232.327 2.536 30 20 BFED CC(C)[C@H]1CC(=NOC(C)(C)C)CCO1 1337309361 HUVNGYBQMYQGBI-LLVKDONJSA-N 213.321 2.993 30 20 BFED N#C[C@H](NC(=O)[C@H]1CC12CCCC2)C1CCCC1 1338216488 PLVOFBCIGOYCHR-OLZOCXBDSA-N 246.354 2.765 30 20 BFED CC#CCNC(=O)N1Cc2ccccc2[C@H]1CC 1341418269 QOZFMVWCDZABCJ-CQSZACIVSA-N 242.322 2.686 30 20 BFED N#CC[C@H](OC(=O)CCC1CC1)c1ccco1 1345548030 QBVSOGVZHAWRRR-LBPRGKRZSA-N 233.267 2.968 30 20 BFED C#CCCCCCCN[C@H](CC(C)C)C(=O)O 1602675569 AMOSAIRGJSUNIB-CYBMUJFWSA-N 239.359 2.659 30 20 BFED Cc1cc(CSC[C@H](C)C(=O)O)ccc1C#N 1607653667 RIWMLQVBHDHLGO-JTQLQIEISA-N 249.335 2.821 30 20 BFED C=CCCCCCN1CCC(F)(F)[C@H]1C(=O)O 1776173429 XIKGMAXAYWPGNN-SNVBAGLBSA-N 247.285 2.527 30 20 BFED CCc1c(C)nc(CC(C)(C)C)nc1C#N 1898208014 HDHWOWSRLYKPLJ-UHFFFAOYSA-N 217.316 2.808 30 20 BFED Fc1cccc(C#C[C@@H]2CC23CCNCC3)c1 1898243722 MOUIPLPXICITEF-CYBMUJFWSA-N 229.298 2.567 30 20 BFED C=CCNC(=S)N(CCCC)CCCC 13824338 FTRCGDPAHSBDHJ-UHFFFAOYSA-N 228.405 2.949 30 20 BFED C=CCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]1C 45935015 AFVPIVXPIQUKGA-OCCSQVGLSA-N 229.323 2.857 30 20 BFED C[C@H]1CN(c2cccc(F)c2C#N)CC(C)(C)O1 49177197 XDAUOHKHAGVUHM-JTQLQIEISA-N 248.301 2.701 30 20 BFED CN(CCOc1cccc(C#N)c1)CC1CCC1 61457838 ZZICXWKZEGKFMA-UHFFFAOYSA-N 244.338 2.669 30 20 BFED N#Cc1c(F)cccc1NC[C@H]1CCC[C@H](O)C1 78305057 BOGDTTMEQKVFAR-QWRGUYRKSA-N 248.301 2.660 30 20 BFED C#CCN[C@H](c1ccccc1C)C(C)C 91264550 FPNIEPLESGJQMR-AWEZNQCLSA-N 201.313 2.915 30 20 BFED N#CCCN(CC1CC1)C[C@@H]1CC=CCC1 93091277 XAQFHFKQTUMPOX-CYBMUJFWSA-N 218.344 2.968 30 20 BFED N#Cc1ccnc(NCc2cc(F)ccc2F)c1 111615968 ZKIVFLHPPANGNX-UHFFFAOYSA-N 245.232 2.844 30 20 BFED C=CC[C@@H](C)NC(=O)c1cc([C@H](C)CC)no1 121352389 CVODWAASHKCRBX-NXEZZACHSA-N 236.315 2.883 30 20 BFED CCCCCCC(=O)N[C@](C)(C#N)CC 127276804 LBCZVAATBWIDLT-LBPRGKRZSA-N 210.321 2.765 30 20 BFED C=CCC[C@@H](CC)N1CCC[C@@H]1C(=O)OCC 132943860 MMOXZCDXZIQWID-CHWSQXEVSA-N 239.359 2.759 30 20 BFED C=C[C@](C)(CC)C(=O)NC[C@@](C)(O)[C@@H](C)CC 135063716 XDAWNQXKUMQPMW-IACUBPJLSA-N 241.375 2.502 30 20 BFED CC[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC)C1 136194607 DDOOLKVRORRJBW-DGCLKSJQSA-N 222.332 2.575 30 20 BFED CC#CCCOc1cccc(C(C)=O)c1 154837850 YNAUCPKHQIFJKP-UHFFFAOYSA-N 202.253 2.681 30 20 BFED CC[C@H](CC#N)NC(=O)Nc1ccc(C)cc1F 155509625 QDNLXUHPBJDOAQ-SNVBAGLBSA-N 249.289 2.948 30 20 BFED C#CCCCCNC(=O)/C=C/c1cccs1 155936432 AVYDFFFICFBFEJ-CMDGGOBGSA-N 233.336 2.681 30 20 BFED C=CCCCN1C(=O)C[C@@](C)(CC(C)C)C1=O 157113022 ISXDNWQRKCRCOB-CQSZACIVSA-N 237.343 2.764 30 20 BFED CCCCCCCC(=O)N[C@@H]1CCC[C@@H](N)C1 162250549 FXRVTVFYFYDPHN-CHWSQXEVSA-N 240.391 2.733 30 20 BFED C#CCOCCC(=O)Nc1ccccc1C(C)C 162451395 GLLUXVPKSYSCRF-UHFFFAOYSA-N 245.322 2.788 30 20 BFED C=CC[C@H](C)N[C@H]1C[C@@H](OCC)C12CCC2 162584612 JORFWHKVXSSZAO-RWMBFGLXSA-N 223.360 2.888 30 20 BFED C=CC[C@H](C)N[C@@H]1CCO[C@@H](C(C)C)C1 162779954 DNRSESSYXSTLKZ-YNEHKIRRSA-N 211.349 2.744 30 20 BFED C=C(Cl)CN1CCCCC[C@@H]1C[C@@H](C)O 163156728 BDLPMZPWNYCFFO-VXGBXAGGSA-N 231.767 2.754 30 20 BFED CCCCCCCC(=O)N[C@H](C)C[C@@H](C)O 165102136 JRWHBSCOAANLJI-VXGBXAGGSA-N 229.364 2.623 30 20 BFED C=CCCC(=O)Oc1c(F)cccc1F 171423115 WAXNEDXNLHRBSN-UHFFFAOYSA-N 212.195 2.836 30 20 BFED C=C(C)CCOC(=O)c1ccccc1OCC#N 174806915 POXWBZOXPIHFRT-UHFFFAOYSA-N 245.278 2.712 30 20 BFED C=C(C)CN(C)C(=O)N[C@@H]1CCCC[C@@H]1C 180303344 NZKMZFPJWXTZHW-NWDGAFQWSA-N 224.348 2.783 30 20 BFED C#CCOc1ccccc1OCCOC(C)C 181633575 VIHQMLXWJRVBCH-UHFFFAOYSA-N 234.295 2.502 30 20 BFED C=CCCC(=O)Cn1ccc2sccc2c1=O 182913849 PZZMJSYXBMIGSH-UHFFFAOYSA-N 247.319 2.598 30 20 BFED C=C(Cl)COc1c(F)cccc1[N+](=O)[O-] 185030174 LZISZIHSTHQWBX-UHFFFAOYSA-N 231.610 2.865 30 20 BFED C#CCC(C)(C)C(=O)Nc1cccnc1Cl 185119276 NLIXIBRCBGRGCT-UHFFFAOYSA-N 236.702 2.723 30 20 BFED C=CCCC[C@@H](C)NC(=O)CCCC(C)=O 186146065 DGSKIPWAJBUFJA-LLVKDONJSA-N 225.332 2.607 30 20 BFED CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(C#N)cn1 186713595 ZYKAIYGBQNIYEU-BXUZGUMPSA-N 243.310 2.574 30 20 BFED C#CCOc1ccccc1NC(=O)C1=CCCC1 187210959 DVJAXTOJTBAEFX-UHFFFAOYSA-N 241.290 2.747 30 20 BFED C=C[C@@](C)(CC)C(=O)Nc1cc(CC)nc(C)n1 187961508 FENHAZOCFBVGHT-AWEZNQCLSA-N 247.342 2.888 30 20 BFED C=CCN(CCOC)Cc1ccc(F)c(C)c1 191762857 QUFIGAWBLVWBII-UHFFFAOYSA-N 237.318 2.769 30 20 BFED C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccn1 192593995 AXXGQNAVEWPSFC-AGIUHOORSA-N 229.327 2.815 30 20 BFED C=CCSCCNC(=O)/C=C/c1ccccc1 194502748 QBOIQEQFCJTFBR-CMDGGOBGSA-N 247.363 2.735 30 20 BFED C=C(C)CCN[C@@H]1C[C@@H](OCC)C1(C)C 233742366 KXVLGSMIASGZPF-VXGBXAGGSA-N 211.349 2.746 30 20 BFED C#CCCCC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 248668464 OYLRWZWSKUOAJA-MGPQQGTHSA-N 233.355 2.970 30 20 BFED N#Cc1c(NC2CCCC2)nc2ccccn12 263989633 UYPYODGUQKWMML-UHFFFAOYSA-N 226.283 2.560 30 20 BFED N#Cc1nc(N[C@@H]2CCSC2)ccc1Cl 266221306 HWZFKXPYJKCXBE-SSDOTTSWSA-N 239.731 2.524 30 20 BFED C[C@@H](C#N)CN(C)CC#Cc1cccc(Cl)c1 269551737 FQXZYAQKEKHDRA-LBPRGKRZSA-N 246.741 2.783 30 20 BFED N#CCCCNCc1ccc(Cl)cc1F 275569389 GCTQDMQHUFZHKJ-UHFFFAOYSA-N 226.682 2.872 30 20 BFED CC[C@@H](C#N)Sc1nccn1C(C)C 275747165 QJYHWMZJHRHING-VIFPVBQESA-N 209.318 2.858 30 20 BFED C=CCCN(C)C(=O)[C@H](SCC)C(C)C 276327945 DJVVDCSRUBZSBG-LLVKDONJSA-N 229.389 2.799 30 20 BFED Cc1ccnc(N2CCS[C@H](C)CC2)c1C#N 276862703 GNKRNLXWUWGNOX-LLVKDONJSA-N 247.367 2.594 30 20 BFED C=CC[C@@H](CC)NC(=O)c1cccc(CC#N)c1 281068148 MKHDRIZYPRNZKH-CQSZACIVSA-N 242.322 2.837 30 20 BFED C=CC[C@@H](CC)NC(=O)c1ccc(C(C)=O)cc1 281355619 MKMNIWQJNLISDD-CQSZACIVSA-N 245.322 2.974 30 20 BFED C=CCCCCN[C@@H](C)c1cc(C)n(C)n1 282909580 XGGYCAMUHLZXDM-LBPRGKRZSA-N 221.348 2.735 30 20 BFED N#CCCCNc1cccc(Cl)c1C#N 295120040 WPNLFVWPECMUSP-UHFFFAOYSA-N 219.675 2.927 30 20 BFED CC(C)=CCC[C@H](C)NC(=O)CCCC#N 295675250 SBKVFYFFDQAPPD-LBPRGKRZSA-N 222.332 2.931 30 20 BFED CC#CCN(C)C(=O)Nc1ccccc1OCC 297391933 HHRKKUUHTSOVMZ-UHFFFAOYSA-N 246.310 2.572 30 20 BFED Cc1cc([N+](=O)[O-])ccc1NCCCC#N 298082134 NCZVCNPKYVNDHL-UHFFFAOYSA-N 219.244 2.619 30 20 BFED COc1ccc2nc(NC[C@@H](C)C#N)ccc2c1 302043232 JFMDLOXYIUSMMJ-JTQLQIEISA-N 241.294 2.815 30 20 BFED Cc1cccc([C@@H](C)C/N=C(/N)NC(C)(C)C)c1 304808619 UTNZXMUWWDWABZ-LBPRGKRZSA-N 247.386 2.801 30 20 BFED CCc1nc(C#N)cc(NC[C@H]2CC=CCC2)n1 308180578 OXLFFFDZESBCQC-NSHDSACASA-N 242.326 2.679 30 20 BFED C=C[C@@H](C)NC1CCC(C(F)F)CC1 308647312 IIGNJYMHMXKQGX-XNWIYYODSA-N 203.276 2.974 30 20 BFED C=C(C)CNCc1nc2c(s1)CCCC2 308888240 WPLZLSUHXBIKMC-UHFFFAOYSA-N 222.357 2.688 30 20 BFED C=CCC(C)(C)CNc1ccnc(C)n1 308911818 XISMFWCMEQCROO-UHFFFAOYSA-N 205.305 2.799 30 20 BFED COCC(C)(C)N(C)CCCC(C)(C)C#N 309321190 AIBSGPHBFYENCC-UHFFFAOYSA-N 226.364 2.673 30 20 BFED C=C[C@@H](COC)N[C@@H](C)CCc1ccsc1 309492646 XPUOOYSUVNUFBZ-AAEUAGOBSA-N 239.384 2.860 30 20 BFED CCC#C[C@H](C)N[C@H](C)c1cccc(O)c1 309759771 IKCZFCYIDUSRBX-NWDGAFQWSA-N 217.312 2.845 30 20 BFED CCC[C@H](C#N)NC(=O)[C@H]1CC2CCC1CC2 310361269 UIWFNFBZDMVPRJ-TUUUFIMRSA-N 234.343 2.621 30 20 BFED C=C(CC)CNCc1nc(C)c(C)s1 313488242 QDRATQHFKSCVHN-UHFFFAOYSA-N 210.346 2.816 30 20 BFED C=CCCOCCN[C@H](CC)[C@H]1C[C@H]1C 321747990 AHHOOWXRHSUULS-FRRDWIJNSA-N 211.349 2.603 30 20 BFED Cc1nnccc1N=C(O)C1CCCCC1 329258149 CGCRWFUTIAGHFG-UHFFFAOYSA-N 219.288 2.953 30 20 BFED C[C@@H]1C[C@H]1C/N=C(/O)c1cc2nc[nH]c2cc1F 329265340 FVEMJIBKADSELJ-SFYZADRCSA-N 247.273 2.663 30 20 BFED CC1(C)C[C@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2 333337133 SAFRFCBLPABWCH-NHYWBVRUSA-N 246.354 2.623 30 20 BFED CN(C(=O)[C@@]12CCC[C@H]1C2)c1ccc(C#N)cc1 335009728 KMTWRPXKJJFFKC-SWLSCSKDSA-N 240.306 2.711 30 20 BFED C[C@@H]1CCCC[C@@H]1C(=O)N1CCC(C)(C#N)CC1 335115735 OZHPYQJNBZMVGP-OLZOCXBDSA-N 248.370 2.965 30 20 BFED N#C[C@@H]1CC[C@H](NCC23CCC(CC2)C3)C1 335617614 WMUVQBOMFMBXGK-DKNRTOFZSA-N 218.344 2.849 30 20 BFED C=C[C@H]1CCCCN1C(=O)[C@@H]1CCC(C)(C)O1 336094471 DNRVQDKUFGSWRX-RYUDHWBXSA-N 237.343 2.511 30 20 BFED Cc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1C(=N)O 336171671 WMNUQDQNAKXZET-GHMZBOCLSA-N 243.310 2.983 30 20 BFED C=C[C@H](C)NC(=O)c1cccc(C)c1Cl 336495800 AVOTZULRNNIPFV-VIFPVBQESA-N 223.703 2.953 30 20 BFED Cc1nsc(N[C@H]2CC[C@@H](F)C2)c1C#N 336517151 ZVLITJXJYPDAGF-SFYZADRCSA-N 225.292 2.626 30 20 BFED CCC[C@@H](C#N)N(C)C(=O)c1cc(C)oc1C 339175241 WBLFPANJDKMVTK-NSHDSACASA-N 234.299 2.661 30 20 BFED CC[C@@H]1C[C@@H](C)CN1C(=O)NCCCCC#N 341112922 ABSRDUAWWGAWFA-VXGBXAGGSA-N 237.347 2.510 30 20 BFED CC1(C)CCN(C[C@H](C#N)CCC#N)CC1 341199835 ZMVXIAGVRBNNHS-LBPRGKRZSA-N 219.332 2.552 30 20 BFED C=C(C)COCCNC(=O)CC(C)(C)C1CC1 342973607 UVBLJGPOHIPWSD-UHFFFAOYSA-N 239.359 2.522 30 20 BFED C=CCCC[C@H](C)NC(=O)N[C@H]1CCSC1 343016150 ZOHMLOGUMSFJSR-QWRGUYRKSA-N 242.388 2.536 30 20 BFED CC1(C)CC(NCCc2cccc(C#N)c2)C1 343592240 HUXRWHUXLKFJDP-UHFFFAOYSA-N 228.339 2.879 30 20 BFED C=CCOCCCN1CC[C@@H](C(C)(C)C)C1 348028176 CMHRNNPPEGAVJS-CYBMUJFWSA-N 225.376 2.947 30 20 BFED C=CCN(CC1CCCCC1)C(=O)CC 351615107 LFRQVLHRHJOSNN-UHFFFAOYSA-N 209.333 2.991 30 20 BFED CCN(CCCC#N)[C@@H]1CCOC(C)(C)C1 351929704 XORVMKKJMCSMDN-GFCCVEGCSA-N 224.348 2.570 30 20 BFED C=CCC(C)(C)CNC(=O)[C@H](C)c1ccccn1 352471959 XLJKBVIIIMNAIM-GFCCVEGCSA-N 246.354 2.904 30 20 BFED C=CCC(C)(C)CNC(=O)c1ccc(C(C)=O)o1 352545416 IGJHIULOPJGCAA-UHFFFAOYSA-N 249.310 2.814 30 20 BFED CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)CC#N 355385028 VSGJSAHLBDXWHH-QJPTWQEYSA-N 222.332 2.621 30 20 BFED C=CCOCC(=O)N(c1ccccc1C)C(C)C 357201168 HDBJZGIAFLACAB-UHFFFAOYSA-N 247.338 2.939 30 20 BFED C=C(C)CN(CCN(CC)CC)CC(C)C 361968423 QBWCFPITMVQWGV-UHFFFAOYSA-N 226.408 2.862 30 20 BFED CC(=NOC(C)(C)C)c1cc(C(=O)O)co1 378723382 HIOLSNNUJZPMJG-UHFFFAOYSA-N 225.244 2.517 30 20 BFED CC[C@@H](C)NN=Cc1occc1Br 379416019 QTOJVNVXFPUSLE-SSDOTTSWSA-N 245.120 2.764 30 20 BFED CCC(=NNCC(C)C)c1cccc(N)c1 382177266 YHWDCNAVQRJAEN-UHFFFAOYSA-N 219.332 2.629 30 20 BFED C=C1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 382582300 NPMMCGINRMXDOR-UHFFFAOYSA-N 243.266 2.623 30 20 BFED C#C[C@](C)(CC)NC(=O)[C@H]1CCCC(F)(F)C1 384195985 JHYPIOKJRQYJBL-CMPLNLGQSA-N 243.297 2.730 30 20 BFED C=CC(C)(C)CNCc1cccc(O)c1 385030708 KSAAFNNJBPFMFU-UHFFFAOYSA-N 205.301 2.694 30 20 BFED C=CC(C)(C)CN[C@H](CC)[C@@H]1CCOC1 385434400 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2.572 30 20 BFED C#Cc1ccc(C(=O)NC2(C)CCCC2)cc1 900378173 MBLWHKXUVYQSFS-UHFFFAOYSA-N 227.307 2.730 30 20 BFED CC[C@H](N[C@@H]1CO[C@@H](C)C1)c1cccc(C#N)c1 903036782 ANODUAKWWNFVKX-CQDKDKBSSA-N 244.338 2.776 30 20 BFED C=C[C@H](CC)CC(=O)Nc1nccnc1C1CC1 906424272 KANYAZCLXHVTLA-SNVBAGLBSA-N 245.326 2.895 30 20 BFED C=C(CC)CNC(=O)c1ccc(Cl)nc1F 909387009 LYKOIWVFKGVRKF-UHFFFAOYSA-N 242.681 2.570 30 20 BFED C=CCOC(=O)C(F)(F)c1ccccc1 915584948 NZHDGOYLJJQDPG-UHFFFAOYSA-N 212.195 2.508 30 20 BFED C#CCN(C(=O)NC(C(C)C)C(C)C)C(C)C 921545816 KPKNTPLPJPOOFQ-UHFFFAOYSA-N 238.375 2.720 30 20 BFED CCC[C@H](C)OC(=O)c1ccsc1C#N 923562849 NGIWZJCNBOHPEL-QMMMGPOBSA-N 223.297 2.965 30 20 BFED C=CCCC[C@H](C)N[C@@H]1C[C@@H](C)n2ncnc21 925703466 GCZFEVNRZGWNCS-QJPTWQEYSA-N 234.347 2.618 30 20 BFED C=C[C@@H](CC)CC(=O)NCc1ccccc1OC 929219087 VZRPAANTONLGKS-LBPRGKRZSA-N 247.338 2.914 30 20 BFED Cc1ccccc1OCCN1CCC[C@@H](C#N)C1 932161355 MLGWQNPZUXBTPI-AWEZNQCLSA-N 244.338 2.609 30 20 BFED C=CCCN1CCC[C@H]1CNc1cccc(C)n1 1116938102 LVBZDTUPGODUKF-AWEZNQCLSA-N 245.370 2.842 30 20 BFED C=CCC(F)(F)c1nnc([C@@H]2CCO[C@H]2C)o1 1118376864 RGENXTPCSYVMOK-JGVFFNPUSA-N 244.241 2.630 30 20 BFED C=C(CC)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 1123678939 VZJFBPZLHBZOSK-VXGBXAGGSA-N 239.359 2.663 30 20 BFED COc1ccc(Oc2snc(C)c2C#N)cn1 1187151488 KZCVHEYMUHOVQQ-UHFFFAOYSA-N 247.279 2.519 30 20 BFED Cc1cc(C[S@@](=O)CCCC#N)cs1 1262166274 AFHKHMHMIXUFEN-AWEZNQCLSA-N 227.354 2.609 30 20 BFED CC(C)(C)COC(=O)c1csc(C#N)c1 1263294755 HAKHKASUDYFKTE-UHFFFAOYSA-N 223.297 2.823 30 20 BFED C[C@@H](Sc1cccnc1C#N)c1cnccn1 1307343582 JWTRXYFVYTUQLM-SECBINFHSA-N 242.307 2.597 30 20 BFED C=C[C@@H](COC)N[C@@H](C)c1ccccc1OCC 1321242768 ZFNMRVXAQFQWSS-STQMWFEESA-N 249.354 2.937 30 20 BFED CCCCNN=Cc1cccn1C1CC1 1325319730 OOOXMQGORXMOEO-UHFFFAOYSA-N 205.305 2.547 30 20 BFED C=CCn1cnnc1SCSC(C)C 1329196572 TVBAEOOPAPUWJS-UHFFFAOYSA-N 229.374 2.655 30 20 BFED C=CCCCCCn1cc(CNCC2CC2)nn1 1330783722 OBZJPLZKRMCGND-UHFFFAOYSA-N 248.374 2.524 30 20 BFED CC(C)CC=NNc1cc(O)nc2ncccc12 1331983737 PONRYELQLPAOTA-UHFFFAOYSA-N 244.298 2.779 30 20 BFED N#C[C@@H](NC(=O)[C@@H]1CC=CCC1)C1CCCC1 1332256121 ZHSJDYGKLKRBGI-CHWSQXEVSA-N 232.327 2.541 30 20 BFED C=C(C)CCC(=O)NCCSC(C)(C)C 1336374961 XTRUKWLSCBLIDJ-UHFFFAOYSA-N 229.389 2.991 30 20 BFED Cc1cccnc1CSCC1(C#N)CC1 1337311860 TVZARHBGLNEQQP-UHFFFAOYSA-N 218.325 2.927 30 20 BFED C#Cc1ccc(NC[C@H](OC)[C@@H](C)CC)nc1 1339735887 LANWBGADCUQBOU-AAEUAGOBSA-N 232.327 2.536 30 20 BFED C=C1CCC(C(=O)OCCc2cccnc2)CC1 1342632110 DNKIWSQAPXHXRW-UHFFFAOYSA-N 245.322 2.914 30 20 BFED C=C(CC(C)C)C(=O)N[C@H](C)c1cn(C)nc1C 1346406001 WLLHXNQVZFWHAM-LLVKDONJSA-N 249.358 2.508 30 20 BFED C=C(CC)C(=O)N(CC1CCC1)C(C)C 1347461825 GZSMQAGESDJHJW-UHFFFAOYSA-N 209.333 2.990 30 20 BFED C=C(CC)C(=O)NCCC1C[C@@H](C)O[C@H](C)C1 1348612487 URGJBAOGSXGAIE-VXGBXAGGSA-N 239.359 2.663 30 20 BFED C=C(C)CCC(=O)Oc1ccc(OC)cc1 1515328065 NEIBNIKEIVRNBL-UHFFFAOYSA-N 220.268 2.957 30 20 BFED C=CC[C@@H](C(=O)O)N(CC)Cc1ccccc1 1602836016 ZDWICABECQLVTF-ZDUSSCGKSA-N 233.311 2.538 30 20 BFED C=CCCCCN1CCC[C@@H]1[C@H](C)C(=O)O 1776174846 MMXAUFHUTQAAES-NWDGAFQWSA-N 225.332 2.528 30 20 BFED CCCCO[C@@H](C)C(=O)Nc1cccc(C#N)c1 37093566 NGMHCMKLSKJGQK-NSHDSACASA-N 246.310 2.702 30 20 BFED N#Cc1ccc(NCCc2ccncc2)cc1 37491791 IJGBPVHFXWIJFZ-UHFFFAOYSA-N 223.279 2.608 30 20 BFED C=CCOc1ccccc1C(=O)NCCCC 45053886 PTRDBJPJGZTMJQ-UHFFFAOYSA-N 233.311 2.781 30 20 BFED C#CCNc1c(F)cc(F)cc1Br 50521826 AKIYLURIZPWWDQ-UHFFFAOYSA-N 246.054 2.772 30 20 BFED CCCC(=O)Nc1cc(C#N)ccc1OCC 56475634 VXRUPNMYRKDKJU-UHFFFAOYSA-N 232.283 2.696 30 20 BFED CCc1oc2ccccc2c1CN(C)CC#N 73022515 IVWJWTTYBOZSHH-UHFFFAOYSA-N 228.295 2.951 30 20 BFED C=C(C)CN(CC)C(=O)NC1CCCC1 79009752 RPZLCXVUURLYAB-UHFFFAOYSA-N 210.321 2.537 30 20 BFED N#Cc1ccc(Oc2cccc(C#N)n2)cc1 81620715 KECUJOULWBQZJP-UHFFFAOYSA-N 221.219 2.617 30 20 BFED CC(C)CNc1ccc(C#N)c([N+](=O)[O-])c1 87100071 RGPZVELZSRFOJO-UHFFFAOYSA-N 219.244 2.534 30 20 BFED C=C(C)CN1CCC(N[C@H]2C[C@H]3CC[C@@H]2C3)CC1 92746988 IAYUURYWHLPUFL-LZWOXQAQSA-N 248.414 2.805 30 20 BFED N#Cc1c(F)cccc1OCC1CCOCC1 93406813 YXQYBOOIIRBNKX-UHFFFAOYSA-N 235.258 2.503 30 20 BFED C=CCC[C@H](C)Nc1cccnc1OC 96034336 NNEQQMQUZZGHTP-JTQLQIEISA-N 206.289 2.857 30 20 BFED C=CCCOC(=O)CCC(=O)c1cccs1 103650126 VOIZNZBGNLRYOP-UHFFFAOYSA-N 238.308 2.830 30 20 BFED N#Cc1cccc(-c2nc3cc(C#N)ccc3[nH]2)c1 106031943 UAHQKKLLOFFUHO-UHFFFAOYSA-N 244.257 2.973 30 20 BFED C#CCOc1ccc(NC(=O)/C(C)=C\CC)cc1 108185491 IVISAKBJUPTPHD-SDQBBNPISA-N 243.306 2.993 30 20 BFED C=CC1CCN(C(=O)Cc2ccsc2)CC1 110367500 TYETXHJCOCOGJL-UHFFFAOYSA-N 235.352 2.715 30 20 BFED Cc1cc(CNc2ccc(F)cc2C#N)no1 111026791 WEWYGGKQIATRKZ-UHFFFAOYSA-N 231.230 2.606 30 20 BFED C=C(C)CN1CCOC2(CCCCCC2)C1 119714678 UHYKAACHGFEVRG-UHFFFAOYSA-N 223.360 2.988 30 20 BFED C=CCCN1CCc2c(F)cc(F)cc2C1 121098020 GMTQLYLCUIIFLI-UHFFFAOYSA-N 223.266 2.899 30 20 BFED CC#CCNC(=O)[C@@H](C)CC1CCCCC1 121175622 QJQCOZGANRXMMJ-LBPRGKRZSA-N 221.344 2.732 30 20 BFED Cc1cccc(C)c1CNC(=O)C1(C#N)CCC1 122368882 HMJXQQLGBMKDOK-UHFFFAOYSA-N 242.322 2.614 30 20 BFED C#CCCOC(=O)CC1(C)CCCCC1 126406105 YDYYFFONDTZYSB-UHFFFAOYSA-N 208.301 2.913 30 20 BFED Cc1ccc(F)cc1CN(C)[C@H](C)CC#N 129168382 OZSGYDYSUVTHPQ-LLVKDONJSA-N 220.291 2.868 30 20 BFED C=CCCCN(C)C(=O)[C@H]1C[C@]1(C)CC 131278294 VFUPEHSMRRHLMM-YPMHNXCESA-N 209.333 2.847 30 20 BFED Cc1ccnc(NCc2ccc(C#N)cc2)c1C#N 135188117 DFJXISVIMPHQHI-UHFFFAOYSA-N 248.289 2.745 30 20 BFED C=C(C)CNC(=O)c1cccc(C)c1C 153419782 DHADOPZCIVXDNU-UHFFFAOYSA-N 203.285 2.609 30 20 BFED CC[C@@H](CC#N)NC(=O)Nc1ccc(F)c(C)c1 156008366 QIBGXXNAUADWPO-JTQLQIEISA-N 249.289 2.948 30 20 BFED C=CC[C@H](C)NC(=O)C[C@H](C)c1ccncc1 160486967 YBSMGAZDTLCZFQ-RYUDHWBXSA-N 232.327 2.656 30 20 BFED C=CC[C@H](C)NC(=O)C[C@H]1CNc2ccccc21 162814669 VAYUCSFDWRLEFH-RYUDHWBXSA-N 244.338 2.667 30 20 BFED C#CCCCCNC(=O)c1ccc(C)c(C)c1O 163149236 YDFDLBCPVUISNJ-UHFFFAOYSA-N 245.322 2.542 30 20 BFED C#C[C@H](C)Nc1ccc(C(F)(F)F)cn1 166909486 HLOJQYAIHVKFIR-ZETCQYMHSA-N 214.190 2.534 30 20 BFED C[C@H](N[C@H](C)CC#N)c1ccc(F)c(F)c1 170806551 IJSKYWCFFSPNNI-BDAKNGLRSA-N 224.254 2.918 30 20 BFED C#C[C@@H](C)OC(=O)c1c(C)[nH]c2ccccc12 174420830 XWDGOGVEMJCYTG-SECBINFHSA-N 227.263 2.655 30 20 BFED CCC1(C/N=C(\N)Nc2ccccn2)CCCC1 177688076 SQCIZBCHHLPQIS-UHFFFAOYSA-N 246.358 2.779 30 20 BFED C=C(C)CS[C@H](C)C(=O)NCCCC 177870903 YDPBLZISJNEGBF-SNVBAGLBSA-N 215.362 2.601 30 20 BFED CC(C)C(=O)OCC#Cc1ccc(Cl)cc1 177891884 XQSGSALTBINBRY-UHFFFAOYSA-N 236.698 2.891 30 20 BFED CC[C@H]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 181309111 COLWEUDRFJWAKH-JQWIXIFHSA-N 245.326 2.585 30 20 BFED C[C@H](NCC#N)c1nc(C(C)(C)C)cs1 184472994 SWSFJQIOUOWYCP-QMMMGPOBSA-N 223.345 2.615 30 20 BFED N#C[C@@H]1CCC[C@H](NCc2cccc(O)c2)C1 185884384 XLLAMGMCDSKQGP-YPMHNXCESA-N 230.311 2.564 30 20 BFED C#C[C@H](C)NC(=O)[C@@H](C)Cc1ccccc1Cl 186043009 KFQARSCWIIIECZ-QWRGUYRKSA-N 249.741 2.657 30 20 BFED CC#CCCCC(=O)NCC(C)(C)C(C)C 189445647 IVCUPGWDROFWOA-UHFFFAOYSA-N 223.360 2.978 30 20 BFED C#CCCCC(=O)N[C@@H](CC)c1c(C)noc1C 192163302 TXURKAUDLSXZAA-LBPRGKRZSA-N 248.326 2.662 30 20 BFED C=CCCCCCN1CCC[C@@H]1C[C@@H](C)O 194360603 SMDJTHXMANYVBL-ZIAGYGMSSA-N 225.376 2.968 30 20 BFED Cc1cnc([C@@H](C)Nc2ncccc2C#N)s1 226806974 LLTXQHBENMQFSP-SECBINFHSA-N 244.323 2.891 30 20 BFED CC1(CNc2nccnc2C#N)CCCCC1 229595713 IRDGGWZMXPXDLO-UHFFFAOYSA-N 230.315 2.731 30 20 BFED C#C[C@H](CC)NCc1coc2ccccc12 229896717 DBMHPOKLBWYBRZ-GFCCVEGCSA-N 213.280 2.934 30 20 BFED CC(C)C1(CNc2ccnc(C#N)c2)CC1 232751286 SEWNFWOHRTWEIQ-UHFFFAOYSA-N 215.300 2.801 30 20 BFED CCn1nccc1/C=C\C(=O)c1ccccc1F 254964653 PYWGRCSXQZKTIU-FPLPWBNLSA-N 244.269 2.938 30 20 BFED CN(CC1(C#N)CCC1)c1ccccc1 258645006 MDJVPYVEYMLDRW-UHFFFAOYSA-N 200.285 2.817 30 20 BFED C[C@H](c1cccnc1)N1CCC[C@H](CC#N)C1 259668733 IOUHRIFZVPMVAI-CHWSQXEVSA-N 229.327 2.768 30 20 BFED CC[C@@H]1C[C@H]1/N=C(/N)Nc1ccc(C)c(C)c1 262846785 VYBBFCDTHFOASE-DGCLKSJQSA-N 231.343 2.829 30 20 BFED C=CCCC(=O)N[C@H](CC)c1nc(C)cs1 264232148 IJBLMVJVBOPPBA-SNVBAGLBSA-N 238.356 2.985 30 20 BFED C=C(Cl)CNC(=O)N[C@H](CC)CCC 265583443 RKMUISYJJYBLLX-SECBINFHSA-N 218.728 2.617 30 20 BFED C[C@@H]1CN(C(=O)c2cccc(C#N)c2)C(C)(C)C1 266931737 SVTFQSFXDNROTJ-NSHDSACASA-N 242.322 2.819 30 20 BFED C=CCC(CC=C)C(=O)N(C)CC1CC1 268160284 NJGAMEXZSLKKOU-UHFFFAOYSA-N 207.317 2.623 30 20 BFED C/C=C(/C=C/C(=O)N(CC)CCC#N)CC 268972953 LWWRKEXETVAZJU-CCQIVWFRSA-N 220.316 2.661 30 20 BFED C#CCCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C 270674003 XSAGQHFCBCFYIE-UHFFFAOYSA-N 246.310 2.829 30 20 BFED C#CCCCN1C[C@@H](C)O[C@H](c2ccsc2)C1 271079657 YDDJHDMMRAMCGU-OCCSQVGLSA-N 249.379 2.923 30 20 BFED C=CCN(C(=O)c1sccc1C)C1CC1 271559407 RZLFWXWLLZWMFN-UHFFFAOYSA-N 221.325 2.847 30 20 BFED CC(C)(C)[C@@H](C#N)NC(=O)c1ccoc1Cl 277866525 RRHGCANXBBUEGU-MRVPVSSYSA-N 240.690 2.601 30 20 BFED CC[C@H](NC(=O)c1ccc(F)c(C#N)c1)C(C)C 278820641 IVAJVYBOPSBKSL-ZDUSSCGKSA-N 248.301 2.862 30 20 BFED CN(CCC#N)Cc1cccc(C(F)F)c1 279783981 UQPOHBXEIATTNI-UHFFFAOYSA-N 224.254 2.970 30 20 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236.340 2.846 30 20 BFED C=CCN[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 783329548 JSADKEJAIPZBTO-HNNXBMFYSA-N 244.382 2.815 30 20 BFED CC(=NOCc1ccccc1)c1nccnc1C 783514660 RWVMMLSIQQZBDW-UHFFFAOYSA-N 241.294 2.726 30 20 BFED FC(F)CNN=C1CCC[C@H](C(F)(F)F)C1 783521587 VPLNMIBMAGCZAH-LURJTMIESA-N 244.207 2.950 30 20 BFED Cn1ccc(C(=O)OCCCC(C)(C)C#N)c1 784167357 MCGZRXDTDNGDBU-UHFFFAOYSA-N 234.299 2.512 30 20 BFED C=CCCCCCOC(=O)[C@H]1C[C@]12CCOC2 784730534 VDAHNXRQWSAJSY-OCCSQVGLSA-N 238.327 2.703 30 20 BFED CCCCNN=Cc1cc(C)nc(Cl)c1 788712102 MXBCLFARPRFORL-UHFFFAOYSA-N 225.723 2.767 30 20 BFED Cn1ccnc1NN=C1C2CC3CC(C2)CC1C3 790300964 CRVLCOAKOKFNHV-UHFFFAOYSA-N 244.342 2.644 30 20 BFED O=C(/C=C\c1cncs1)c1ccnc(F)c1 794722768 UXFKHQIBOIWMEE-UPHRSURJSA-N 234.255 2.573 30 20 BFED C=CCNC(=S)N(C)[C@H]1CCC(C)(C)C1 795027772 UMSCFRMKFLPBFU-JTQLQIEISA-N 226.389 2.557 30 20 BFED CC(=NOC/C=C\Cl)c1csc(C)n1 811667835 FBBIJEZTWBHNHQ-DFMYPLMMSA-N 230.720 2.945 30 20 BFED CCCCNN=C1CS[C@@H](C(C)C)C1 814805160 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30 20 BFED C=C1CCC(C(=O)O[C@@H](CC)CC#N)CC1 1122884507 UESDRVHZNNNACN-LBPRGKRZSA-N 221.300 2.968 30 20 BFED C=C(CC(C)C)C(=O)N[C@@]1(C)CC1(C)C 1123833412 FYXXJCUMRHITGC-ZDUSSCGKSA-N 209.333 2.894 30 20 BFED N#Cc1cccc(C(=O)OCCCC2CCC2)n1 1261589755 OYZUJOJBPZCGFW-UHFFFAOYSA-N 244.294 2.690 30 20 BFED N#Cc1ccc(C(=O)OCC2CC=CC2)c(F)c1 1263418232 YRPYGGCZJOIPRT-UHFFFAOYSA-N 245.253 2.820 30 20 BFED Cc1coc(C(=O)N[C@@](C)(C#N)C(C)(C)C)c1C 1323407334 DGMODJIGTQLTOV-AWEZNQCLSA-N 248.326 2.955 30 20 BFED C=CCC1(C(=O)NC/C=C/C2CC2)CCC1 1324375406 WYKIZKHTHHLSHK-HWKANZROSA-N 219.328 2.815 30 20 BFED CC(=NNc1ccccc1)c1ccnc(C)n1 1326318868 NWHRSEOJPNAXQO-UHFFFAOYSA-N 226.283 2.621 30 20 BFED CC(C)(C)ON=Cc1cnn(C2CCC2)c1 1337762065 HJNDPJXINKPKRA-UHFFFAOYSA-N 221.304 2.757 30 20 BFED CC#CCNC(=O)N1Cc2ccccc2[C@@H]1CC 1341418268 QOZFMVWCDZABCJ-AWEZNQCLSA-N 242.322 2.686 30 20 BFED C[C@H](OC(=O)c1csc(C#N)c1)C(F)(F)F 1343367614 JAVYVDUGXSDCIB-YFKPBYRVSA-N 249.213 2.727 30 20 BFED 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30 20 BFED C=CCNC(=S)N(C)[C@@H]1CCC(C)(C)C1 795027774 UMSCFRMKFLPBFU-SNVBAGLBSA-N 226.389 2.557 30 20 BFED CC[C@@H](C)CCC(=O)N[C@H](C#N)CC(C)C 795991092 RFMXVDVPKUZUBU-NEPJUHHUSA-N 224.348 2.867 30 20 BFED CC#CCOC(=O)C1CC(c2ccc(F)cc2)C1 796093459 OSHNSAVLWUREGZ-UHFFFAOYSA-N 246.281 2.886 30 20 BFED CC[C@@H]1CC[C@@H](C)CC1=NN[C@H]1CCOC1 797403611 SBCIKJCZOYHFRB-UTUOFQBUSA-N 224.348 2.567 30 20 BFED CC[C@@H]1CC[C@@H](C)CC1=NN[C@@H](C)COC 797403686 VLCAGCUQVRHPQG-GRYCIOLGSA-N 226.364 2.813 30 20 BFED CCc1nnc(S)n1N=C[C@H](C)CC(C)C 799105755 JDJBWNZSRXEEKF-SECBINFHSA-N 240.376 2.645 30 20 BFED N#C[C@H]1CC[C@H](Nc2ccc3c(c2)OCO3)C1 799720122 AQFMLYIIMWDUBP-UWVGGRQHSA-N 230.267 2.519 30 20 BFED CC[C@H]1CCC1=NN=c1cc[nH]cc1Cl 807977337 JNYVARVHFHKUKW-QMMMGPOBSA-N 223.707 2.745 30 20 BFED CC(=NOC/C=C/Cl)c1cncc(C)c1 811668248 CUGQECVQHPSQDP-HTKQWYTISA-N 224.691 2.883 30 20 BFED N#CCCCC(=O)OCc1ncc(Cl)s1 812615270 CJBMUWFRVMPCMC-UHFFFAOYSA-N 244.703 2.534 30 20 BFED CCC[C@H](C)c1noc(CCCC#N)n1 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C#CCC[C@@H](C)OC(=O)c1c(C)nsc1C 839041008 SOENVHOTLCHNHM-MRVPVSSYSA-N 237.324 2.719 30 20 BFED C=C(Cl)CN(Cc1ccccc1OC)OC 839605464 KAMNPJMIJNPVTL-UHFFFAOYSA-N 241.718 2.811 30 20 BFED C=CCN(C(=O)c1cc2cccnc2[nH]1)C(C)C 840321937 UDMDCIRVBUSHLD-UHFFFAOYSA-N 243.310 2.600 30 20 BFED C#C[C@H](CC)NC(=O)NC[C@@H]1CCC[C@@H]1C1CC1 840392266 HRJCHLASWWEJOA-BFHYXJOUSA-N 248.370 2.524 30 20 BFED Cc1occc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 841632215 UBSCEFAHEICMNE-GVXVVHGQSA-N 218.300 2.700 30 20 BFED CCC(=NNc1cnn(C)c1)[C@@H]1CC1(C)C 841636018 SSAFYBJEWASQMM-JTQLQIEISA-N 220.320 2.644 30 20 BFED Fc1cnc(NN=C2CCC(F)(F)CC2)nc1 842530827 UCYBSFHCGLBNKR-UHFFFAOYSA-N 244.220 2.593 30 20 BFED CCN(CCO)N=C1C[C@@H](C)c2c(C)cccc21 842537318 WPOWBKLPNIVRSP-GFCCVEGCSA-N 246.354 2.521 30 20 BFED C#C[C@H](NC(=O)[C@H]1CC12CCC2)c1ccccc1 843638756 DJZBMLUYKFYQJY-KGLIPLIRSA-N 239.318 2.667 30 20 BFED C=C(C)CONC(=O)Nc1cccc(C)c1C 844479510 NZEPSSJJDKHTIS-UHFFFAOYSA-N 234.299 2.933 30 20 BFED C=C[C@@H](C)ON=C(C)Cc1cccc(OC)n1 844621312 GCBRCCNYOWLTOW-LLVKDONJSA-N 234.299 2.600 30 20 BFED C=C[C@H](C)ON=C1CCc2cc(O)ccc21 844623194 AUDGQBYMZZBPTM-VIFPVBQESA-N 217.268 2.634 30 20 BFED Cc1cc(C#N)ccc1N(C)CC(C)(C)C#N 846749074 BHPQXTPWRYJNMY-UHFFFAOYSA-N 227.311 2.853 30 20 BFED CC(C)C#CC(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C 846987644 PYODOKAMSFSUAJ-IHRRRGAJSA-N 235.371 2.834 30 20 BFED N#C[C@@H](OC(=O)c1ccsc1Cl)C1CC1 853108379 GEJLGFBMIXUQDN-MRVPVSSYSA-N 241.699 2.860 30 20 BFED Cc1ccc(NN=C2CCCn3nccc32)cc1 853255370 CIPCDUIEMBIBAM-UHFFFAOYSA-N 240.310 2.802 30 20 BFED CC(=NN1CCCC[C@H]1C)c1ccnc(F)c1 853381408 CAEHSDMVNNUXAX-SNVBAGLBSA-N 235.306 2.819 30 20 BFED C#Cc1cccnc1NCC1(SC)CCC1 853551831 LARVPUPUPNSEON-UHFFFAOYSA-N 232.352 2.761 30 20 BFED C#Cc1cccnc1N[C@@H]1CCC[C@@H]2C[C@@H]21 853685904 QAICHFPFONDTAV-FRRDWIJNSA-N 212.296 2.663 30 20 BFED CC[C@H](CNC(=O)C#CC(C)C)CC(F)(F)F 854938056 YUWICIMPQXGSQR-JTQLQIEISA-N 249.276 2.741 30 20 BFED C=CCCONC(=O)c1ccc(C)nc1C(C)C 856027363 JHXBNIKLIXRKML-UHFFFAOYSA-N 248.326 2.751 30 20 BFED CC[C@@H](C)Oc1cc(NC[C@@H](C)C#N)nc(C)n1 858428901 DAATZKGIRMEVEP-VHSXEESVSA-N 248.330 2.534 30 20 BFED CCCCCCCNC(=O)Nc1cnns1 860983514 UYGRFZJENGSVDZ-UHFFFAOYSA-N 242.348 2.630 30 20 BFED C#CC[C@@H](CCOC)NC[C@@H](C)C(C)(C)C 862549199 WYCWKCQMQKQQDL-OLZOCXBDSA-N 225.376 2.687 30 20 BFED CCCCCCCC(=O)Nc1cc(OC)n[nH]1 862711918 WUQGNAJZRASXMZ-UHFFFAOYSA-N 239.319 2.717 30 20 BFED C=C(C)COC(=O)c1cn(CC)nc1C1CC1 869943597 LIWIMJBYLMQAJJ-UHFFFAOYSA-N 234.299 2.513 30 20 BFED CC#CCCCCOC(=O)C(C)(C)OCC 870292346 ZFFYTZAFUSBGKX-UHFFFAOYSA-N 226.316 2.538 30 20 BFED C#C[C@H](C)N(C)Cc1cc2ccccc2n1C 877479751 GHUWDYLDWJTUSY-LBPRGKRZSA-N 226.323 2.632 30 20 BFED C#C[C@](C)(CC)NC(=O)Nc1c(C)ccnc1C 879527522 QOTCGMMOGOCODO-CQSZACIVSA-N 245.326 2.622 30 20 BFED C=CC(C)(C)CC(=O)N1CC[C@@H](OC)C[C@@H]1C 879870032 WTLOYFPHTIAJAU-NWDGAFQWSA-N 239.359 2.615 30 20 BFED C#CCCCN1CCC(c2nc(C)c(C)[nH]2)CC1 886660970 JDHQUWRLWRUDSP-UHFFFAOYSA-N 245.370 2.619 30 20 BFED C=CC(C)(C)CC(=O)Nc1ccc(C(C)=O)cn1 889746744 ISWATZKJAKIXLY-UHFFFAOYSA-N 246.310 2.825 30 20 BFED C=CCCO[C@@H](C)C(=O)N(C)c1ccsc1 892549107 NTXHRNUEUVKIRM-JTQLQIEISA-N 239.340 2.692 30 20 BFED CC#CC[C@@H](CO)N[C@@H](C)CCCC(C)C 895094114 ADMJSUFXFZGHCH-KBPBESRZSA-N 225.376 2.565 30 20 BFED C#Cc1ccc(C(=O)N(C)CCCC)cc1 895526720 QALVJSFALVRMSI-UHFFFAOYSA-N 215.296 2.540 30 20 BFED C#Cc1ccc(C(=O)N2CCC(CC)CC2)cc1 895804798 OUYQCJSWLVYSKP-UHFFFAOYSA-N 241.334 2.930 30 20 BFED N#C[C@@H]1CC[C@@H](Nc2cncc(Cl)c2)C1 895880507 QMDUIWJRLRGEDE-PSASIEDQSA-N 221.691 2.839 30 20 BFED CC[C@H](N[C@H](C)COC)c1cccc(C#N)c1 902721446 XATDODHFHBVEEH-RISCZKNCSA-N 232.327 2.634 30 20 BFED CC[C@H](N[C@H](C)C[C@@H](C)O)c1cccc(C#N)c1 902948027 ODFQMQZLLRXMJW-JMSVASOKSA-N 246.354 2.758 30 20 BFED CCCCN(O)C(=O)[C@H]1CCO[C@H](CCC)C1 904211802 DRVAABVTCRDNPM-NWDGAFQWSA-N 243.347 2.600 30 20 BFED C=C(C)CCN[C@H](C(=O)O)c1ccc(C)c(C)c1 905380870 MULCQJUBGPAGFX-AWEZNQCLSA-N 247.338 2.985 30 20 BFED C=C[C@@H](CC)CC(=O)OCCCSCC#N 909526207 WFKZYNKKVQNDTJ-NSHDSACASA-N 241.356 2.779 30 20 BFED CCCCNN=C(C)c1cc(F)ccc1O 915966546 WMJSQRWZQAXGBO-UHFFFAOYSA-N 224.279 2.645 30 20 BFED C=C(Cl)COc1ccc2c(c1)OCO2 916609460 LVIYEQOKWVAPEW-UHFFFAOYSA-N 212.632 2.547 30 20 BFED C=CCCN(C)C(=O)Nc1cnn(C2CCC2)c1 934313854 SCJOCNZOXZLGDK-UHFFFAOYSA-N 248.330 2.648 30 20 BFED C=CCN(C(=O)C[C@@H](C=C)CC)C1CC1 935224633 SPKCTTMFAYMIRZ-NSHDSACASA-N 207.317 2.766 30 20 BFED CC(C)OC(=O)CSc1cccc(C#N)c1 1116221371 BKRNEGNYTUFEFH-UHFFFAOYSA-N 235.308 2.602 30 20 BFED C#CCCN(CCc1ccccc1)C(C)C 1116397096 AAZURCOIVHROJO-UHFFFAOYSA-N 215.340 2.963 30 20 BFED CCCCCCCC(=O)N1C[C@H](F)[C@H](F)C1 1117821522 XCNBZEUSOJGSNM-PHIMTYICSA-N 233.302 2.865 30 20 BFED C#CCN(CC1CC1)C(=O)[C@@H]1C[C@@]1(C)C(C)C 1320437639 SCZAHNRXTINFLX-ZFWWWQNUSA-N 233.355 2.540 30 20 BFED CC[C@H](C#N)N(CC)C(=O)[C@@H]1CCC[C@@H](C)C1 1340896463 ZMJLTDYYFSCRRX-JHJVBQTASA-N 236.359 2.963 30 20 BFED C#CC[C@@H](OC(=O)[C@H](F)CC)C(C)(C)C 1345579271 JNJLVVBKJKRBJM-NXEZZACHSA-N 214.280 2.716 30 20 BFED C=C(CC(C)C)C(=O)N1CCC[C@H](CC#N)C1 1347315744 ATOKGNXQNAJUJF-CYBMUJFWSA-N 234.343 2.741 30 20 BFED C=CCC[C@@H]1CCCN1c1nnc(C)n1CC=C 1520179278 DGGWVUKEMOJNHW-CYBMUJFWSA-N 246.358 2.708 30 20 BFED C=C(CC)C(=O)Nc1cc(C(C)(C)C)[nH]n1 1520905562 HEKZBMLCMOBUDI-UHFFFAOYSA-N 221.304 2.612 30 20 BFED C=C[C@@H](Sc1ccc(COC)cc1)C(=O)O 1588714920 PSKUAGCYPDCJPJ-LLVKDONJSA-N 238.308 2.564 30 20 BFED C=CC[C@H]1CCN1Cc1ccccc1C(=O)O 1588772813 NLGQSFIYPLCALC-LBPRGKRZSA-N 231.295 2.535 30 20 BFED C=CCCCOc1cnc(Cl)cc1C(=O)O 1588803769 JIQKGAGVKWGNHS-UHFFFAOYSA-N 241.674 2.778 30 20 BFED CON=Cc1csc2ccc(C(=O)O)cc12 1776034880 HWCYGXBEAYRFNO-UHFFFAOYSA-N 235.264 2.580 30 20 BFED C=CC[C@@]1(C(=O)O)CCCN(C/C=C\CC)C1 1776153260 YGTCLRCSYSWLGY-GEXIGZQTSA-N 237.343 2.696 30 20 BFED C=Cc1ccc(CN[C@H](CC(=C)C)C(=O)O)cc1 1776191390 ATJFFMSWFOCROY-CQSZACIVSA-N 245.322 2.839 30 20 BFED CCCCN(C)Cc1ccc(C#N)cc1F 19425090 TXMIGJNJBJTKPV-UHFFFAOYSA-N 220.291 2.929 30 20 BFED CCSCCC(=O)Nc1cccc(C#N)c1 19870215 JCABJQKNRHVMOG-UHFFFAOYSA-N 234.324 2.640 30 20 BFED COc1ccc(C)cc1[C@H](C)NCCC#N 20199885 FUZSHCHFSCODCG-NSHDSACASA-N 218.300 2.568 30 20 BFED C=CCN(C(=O)c1ccc2[nH]cnc2c1)C(C)C 37841803 RXPPIHZEWFOMQR-UHFFFAOYSA-N 243.310 2.600 30 20 BFED N#Cc1ccc(CNCCc2ccco2)c(F)c1 37980181 HEZHWBASLIEDGY-UHFFFAOYSA-N 244.269 2.623 30 20 BFED CC[C@H](C)CN(C)C(=O)C1(C#N)CCCC1 44765540 MUFADPMVMMMXAS-NSHDSACASA-N 222.332 2.575 30 20 BFED N#Cc1cccc(CNc2cncc(Cl)n2)c1 48738640 QBCWWZGTKVUZQE-UHFFFAOYSA-N 244.685 2.614 30 20 BFED CCN(CCCC#N)Cc1cccc(F)c1 50274882 BMOYHPOSJJOSRZ-UHFFFAOYSA-N 220.291 2.951 30 20 BFED C=C(C)CN(C)Cc1ccn(-c2ccccc2)n1 52187510 PEMXRPGOMZNBOT-UHFFFAOYSA-N 241.338 2.880 30 20 BFED C=CCCOCCN[C@H](C)c1cccs1 53584897 YVQFXDLLRVRDAT-LLVKDONJSA-N 225.357 2.991 30 20 BFED N#CCN(Cc1ccccc1)CC1CCC1 65161328 MXDAPXDISZDXBT-UHFFFAOYSA-N 214.312 2.812 30 20 BFED C[C@H]1C[C@H]1c1ccc(CNC(=O)C(C)(C)C#N)o1 77699003 ZECYYCJVRQINRR-GXSJLCMTSA-N 246.310 2.569 30 20 BFED CCCCS(=O)(=O)/N=C(\O)C1CCCCC1 78777654 DULIRRBDPSVFTL-UHFFFAOYSA-N 247.360 2.653 30 20 BFED N#Cc1ccc(F)c(CNc2ncccc2F)c1 84488064 IUKIARNNPAVGEX-UHFFFAOYSA-N 245.232 2.844 30 20 BFED COC[C@H](N[C@H](C)c1ccc(C#N)cc1)C(C)C 86683849 VPSPEOKNBLTIQX-DOMZBBRYSA-N 246.354 2.880 30 20 BFED CN(CC[C@@H]1CCCO1)Cc1cccc(C#N)c1 87248330 LHFWECLEWIKEHA-HNNXBMFYSA-N 244.338 2.559 30 20 BFED CCCCCCCC(=O)N(C)[C@H](CC)C(=O)O 105963388 JUYLZZSQWBZJMV-LLVKDONJSA-N 243.347 2.669 30 20 BFED CC[C@H](C)CN(C)C(=O)Cc1ccc(C#N)cc1 110615776 BYRPZTPAEYEXSU-LBPRGKRZSA-N 244.338 2.605 30 20 BFED CCCCCCCCCC(=O)N(C)C1CNC1 116888681 XNFBJWJGZUWQNG-UHFFFAOYSA-N 240.391 2.557 30 20 BFED C=CC[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 116926484 ABYILBPUBJMZSO-NSHDSACASA-N 234.299 2.957 30 20 BFED C=CCNC(=O)NCC(C)(C)Cc1ccccc1 117401329 HWTPYNDFFJDUJR-UHFFFAOYSA-N 246.354 2.741 30 20 BFED CCC(CC)(CO)CNc1ccc(C#N)cc1 126389322 VCMQYRXYTBBKDO-UHFFFAOYSA-N 232.327 2.769 30 20 BFED C=C[C@@H](C)NC(=O)NC[C@@H](C)c1cccc(C)c1 128243681 DQVKQTWBHVKZPU-CHWSQXEVSA-N 246.354 2.972 30 20 BFED COC1CCC(NCc2ccc(C#N)cc2)CC1 130000089 TYHCJSCWNFWDHY-UHFFFAOYSA-N 244.338 2.605 30 20 BFED N#CCOc1cc(F)ccc1NC/C=C/Cl 131858696 FDKUOUJNHAGRHN-DAFODLJHSA-N 240.665 2.892 30 20 BFED CC[C@@H](CSC)NCc1ccc(C#N)s1 135521510 NRYOEIPCWNJSOS-VIFPVBQESA-N 240.397 2.851 30 20 BFED CN(Cc1ccsc1)c1cnccc1C#N 135592390 BOJXHDUWXXEPJH-UHFFFAOYSA-N 229.308 2.651 30 20 BFED CC#CCNC(=O)N1CCC[C@@H]1CCC(C)C 136029483 KDGVRRXGHAZWRJ-CYBMUJFWSA-N 236.359 2.620 30 20 BFED C#CCCOC(=O)/C=C/SCc1ccco1 151083261 IYOARLCLXLPPSF-RMKNXTFCSA-N 236.292 2.593 30 20 BFED CC#CCCOc1ccc([N+](=O)[O-])cc1F 154857848 XXFUBIPJBUITEP-UHFFFAOYSA-N 223.203 2.526 30 20 BFED CC#CCCN(Cc1ccccc1)C[C@H](O)CC 156784546 VFOMBJVBIPVIMH-MRXNPFEDSA-N 245.366 2.673 30 20 BFED C[C@@H]1CN(CC#Cc2ccc(F)cc2)CCS1 159841021 AGKIMMFYVYMVBP-GFCCVEGCSA-N 249.354 2.615 30 20 BFED C[C@@H]1CCC[C@@H](C(=O)N(C)C2(C#N)CCC2)C1 161612109 RNRKWACFPWFLQN-VXGBXAGGSA-N 234.343 2.717 30 20 BFED C=CCN(C)C(=O)[C@H]1CCCC[C@H]1C(F)(F)F 161684695 HPAHPWAKQAKYHN-VHSXEESVSA-N 249.276 3.000 30 20 BFED CC[C@@H](C#N)NC(=O)c1cccc(C)c1Cl 162008638 CLECWZOPZLWIIU-VIFPVBQESA-N 236.702 2.680 30 20 BFED Cc1ccnc(NC2(C)CCC2)c1C#N 164191507 YUYFGIWBFVHVHS-UHFFFAOYSA-N 201.273 2.616 30 20 BFED CC#CCSCc1nc(-c2ccccc2)no1 166582725 UIYMDIHSMGURCI-UHFFFAOYSA-N 244.319 2.993 30 20 BFED C[C@H](O)CN(CCCCC#N)c1ccccc1 170720680 GYGADEINBSEDEE-ZDUSSCGKSA-N 232.327 2.568 30 20 BFED C=CCCC(=O)Nc1ccc(OC)cc1C 171311932 UKXBNTSNRHKPLT-UHFFFAOYSA-N 219.284 2.908 30 20 BFED O=C(C#Cc1ccccc1)NC[C@H]1CC=CCC1 175064085 ZCFWHEZHGZPJOL-HNNXBMFYSA-N 239.318 2.511 30 20 BFED CC#CCOC(=O)[C@H](C)SCc1ccccc1 175307825 PHCYBOSIZLNCGQ-LBPRGKRZSA-N 248.347 2.875 30 20 BFED CC#CCOC(=O)C(C)(C)c1ccc(F)cc1 175412750 CNYSCPNOKPDALM-UHFFFAOYSA-N 234.270 2.670 30 20 BFED C=CC[C@H](C)[C@H](C)NC[C@](C)(O)C(C)C 178116619 UFWPQQZXCWUICK-AVGNSLFASA-N 213.365 2.584 30 20 BFED C=CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1C 179245843 JRRFJHRRBPPLSX-BXUZGUMPSA-N 244.338 2.795 30 20 BFED C#CCCCCNC(=O)N[C@@H]1CC12CCCCC2 180409649 ISBGMNYXOXDYGE-CYBMUJFWSA-N 248.370 2.812 30 20 BFED Cc1cccc(OCc2ccccc2C#N)n1 181786528 BGEDUAAISYPYKI-UHFFFAOYSA-N 224.263 2.841 30 20 BFED C=CCCC[C@H](C)NC(=O)Cc1ccccc1O 182645484 CSEINYMKEBLHAS-LBPRGKRZSA-N 247.338 2.796 30 20 BFED CCC(CC)(CC)S(=O)(=O)CCCC#N 190865092 WUNOKPJPDOXFHD-UHFFFAOYSA-N 231.361 2.674 30 20 BFED C=CC1CCN(CCCN(CC)CC)CC1 191789088 DVELNXLIERCDMI-UHFFFAOYSA-N 224.392 2.616 30 20 BFED C#CCCCC(=O)N[C@H]1CCC[C@H](SC)C1 192127953 OUCDFRGTTCWQMM-RYUDHWBXSA-N 239.384 2.580 30 20 BFED C=CCSCCNc1ccncc1C 192541971 IACLQFYLIPFWAT-UHFFFAOYSA-N 208.330 2.721 30 20 BFED C=CCCCCCN1CCC[C@]12CCOC2=O 193566714 SWUBDUZWOWJHOQ-CQSZACIVSA-N 237.343 2.514 30 20 BFED C#CCCCCN[C@@H](C)c1cccc(O)c1 193924533 SFXXIGGBIKIIEL-LBPRGKRZSA-N 217.312 2.846 30 20 BFED N#Cc1ccc(NC(=O)C2CC2)c(Cl)c1 225783130 UAYHCCGEOYGDKX-UHFFFAOYSA-N 220.659 2.560 30 20 BFED C#CCCCNc1nnc(Cl)c(C)c1C 229855956 YTEZCPASYIPGRD-UHFFFAOYSA-N 223.707 2.572 30 20 BFED C[C@H]1CCC[C@H]1CNc1cc(C#N)ccn1 230683557 BIKAPXMVDLQHSY-JQWIXIFHSA-N 215.300 2.801 30 20 BFED C=C(C)CN(CC)C(=O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 247426285 KSKMHTLFABVJAE-QSLWVIQJSA-N 248.370 2.639 30 20 BFED C/C=C\CSCC(=O)Nc1cccc(C#N)c1 254948694 BPPQGUKTGSJXLG-IHWYPQMZSA-N 246.335 2.806 30 20 BFED CCOc1ccc(CN(C)CC2(C#N)CC2)cc1 258999115 WFRSVNUBDMYQDE-UHFFFAOYSA-N 244.338 2.821 30 20 BFED Cc1ccc(CCNc2ccnc(C#N)c2)cc1 259587936 CADXXGUSBGHQST-UHFFFAOYSA-N 237.306 2.916 30 20 BFED C=C[C@H]1CCCCN1Cc1ccc(C(=O)O)cc1 263389756 DWWSPLNSIQMWRI-AWEZNQCLSA-N 245.322 2.925 30 20 BFED C=C1CCN(C(=O)c2cc(C)n(CC)c2C)CC1 264478498 KXMXCTZANMFHCC-UHFFFAOYSA-N 246.354 2.917 30 20 BFED C=CCCCN(C)[C@H](CO)c1ccc(OC)cc1 265446706 JRBLZNZDEFLBHZ-OAHLLOKOSA-N 249.354 2.627 30 20 BFED C=CCCN1CCC(c2noc(C(C)C)n2)CC1 265785732 LGKKOEFTKCXYBL-UHFFFAOYSA-N 249.358 2.949 30 20 BFED C=CCC[C@H](O)CN(C)Cc1ccc(C)cc1 268660054 RDPXZUWLULNPHL-HNNXBMFYSA-N 233.355 2.754 30 20 BFED C[C@H](C#N)CN(C)CC#Cc1cccc(Cl)c1 269551735 FQXZYAQKEKHDRA-GFCCVEGCSA-N 246.741 2.783 30 20 BFED C#CCCN1CCC[C@@H]1CC(=O)c1cccs1 270556488 VXCFPWMGGOZYOK-GFCCVEGCSA-N 247.363 2.809 30 20 BFED CCN(CC1CC1)c1snc(Cl)c1C#N 271286674 HLILXDDQAGYUSY-UHFFFAOYSA-N 241.747 2.904 30 20 BFED COc1ccc([C@@H](C)CN(CC#N)C2CC2)cc1 271744491 SAYFCLGSFPJBEF-LBPRGKRZSA-N 244.338 2.787 30 20 BFED CCN(CC(F)F)c1ccc(Cl)c(C#N)n1 273288030 JVSUQIIMHCYHMV-UHFFFAOYSA-N 245.660 2.698 30 20 BFED Cc1c(Cl)cnc(NC2CCC2)c1C#N 273339160 NHWYPNXOTBHAAE-UHFFFAOYSA-N 221.691 2.880 30 20 BFED CCN(Cc1ccccc1)C(=O)NCCCC#N 273592312 QKKOAMBVJZPBKK-UHFFFAOYSA-N 245.326 2.522 30 20 BFED C=CCCCCNC(=O)c1cn(C)nc1C(C)C 274479626 OJZRLZPSZWAYPT-UHFFFAOYSA-N 249.358 2.630 30 20 BFED C=CC[C@H](CC)N[C@@H](C)CCn1cccn1 281151682 AXKQGGNOTRUAGO-STQMWFEESA-N 221.348 2.606 30 20 BFED CO[C@@H]1CCN(c2cccc(F)c2C#N)[C@@H](C)C1 281658608 OIJSKFVGDOHLMM-WDEREUQCSA-N 248.301 2.701 30 20 BFED C=CC[C@@H](CC)NC(=O)NCCCSCC 283335900 AQZURDHSQSQGDZ-LLVKDONJSA-N 244.404 2.784 30 20 BFED CCOc1ccc(OC(=O)[C@@](C)(C#N)CC)cc1 284830383 BBRCIJPSCHDIBN-CQSZACIVSA-N 247.294 2.931 30 20 BFED C[C@H]1COCC[C@@H]1CNc1cccc(F)c1C#N 286250806 DVYBNQINJMOLHT-WDEREUQCSA-N 248.301 2.782 30 20 BFED C=CCC[C@H](NC[C@H](C)OC)c1ccco1 287379117 ICUAXSYWVXMENU-RYUDHWBXSA-N 223.316 2.911 30 20 BFED C#CCN(Cc1ccccc1)C[C@@H]1CCSC1 289888949 WJLRUJDOYAEVHR-HNNXBMFYSA-N 245.391 2.875 30 20 BFED CC[C@@H](C)CONc1snc(C)c1C#N 292013281 ZPYFVKFPOSQCSJ-SSDOTTSWSA-N 225.317 2.713 30 20 BFED CCCCCCCCOn1nnc2cccnc21 292419655 KKRCHKMTRKJTTH-UHFFFAOYSA-N 248.330 2.615 30 20 BFED C#CCO[C@H](C)c1nc(-c2ccc(C)cc2)no1 295798630 DWKMTQSOKXGFIY-LLVKDONJSA-N 242.278 2.756 30 20 BFED C[C@H]1CN([C@@H](C)CCC#N)Cc2ccccc2O1 298540556 XJMNVCLOTIOTPL-STQMWFEESA-N 244.338 2.962 30 20 BFED C#C[C@@H](NCc1cc(F)cc(F)c1)C(C)C 300916096 MKIAZGSWHZIIAA-CYBMUJFWSA-N 223.266 2.712 30 20 BFED C[C@@H](CC#N)Nc1ncc(Cl)s1 307437958 MGUKGFOFVCCAIG-YFKPBYRVSA-N 201.682 2.511 30 20 BFED CCc1nc(C#N)cc(N[C@@H]2CCCC2(C)C)n1 308163540 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C=C[C@@H]1OCC[C@H]1c1nc(-c2cccs2)no1 334896357 DUBZFRWVOLGEEH-BDAKNGLRSA-N 248.307 2.857 30 20 BFED C[C@@H]1CCC[C@H](C(=O)NCC2(C#N)CCC2)C1 334898347 OQQHBJAQUCYUAV-NEPJUHHUSA-N 234.343 2.623 30 20 BFED CCC1CN(C(=O)Nc2cc(C)cc(C#N)c2)C1 335574568 HCNSUSDOWYMYFX-UHFFFAOYSA-N 243.310 2.740 30 20 BFED Cc1nccn1CC#Cc1ccc(Cl)cc1 336364419 GQRDJEGIUUSSKM-UHFFFAOYSA-N 230.698 2.897 30 20 BFED C[C@@H](C#N)C(=O)Nc1cc(C(C)(C)C)ccc1O 336572524 FXCDPKCFDSDXQD-VIFPVBQESA-N 246.310 2.788 30 20 BFED N#CC1(C(=O)N2CCC[C@H](C3CC3)C2)CCCC1 336583081 NGLILIZAHXIRIU-ZDUSSCGKSA-N 246.354 2.719 30 20 BFED CCC1(CC)CN(C(=O)[C@](C)(C#N)CC)C1 336656142 KUECMXSWNKTFTQ-LBPRGKRZSA-N 222.332 2.575 30 20 BFED C=CC[C@H](CC)N[C@@H](C)[C@@H]1CCCOC1 336732180 LIWBHUDRHXFNTO-XQQFMLRXSA-N 211.349 2.746 30 20 BFED N#Cc1ccn(CCOc2ccccc2F)c1 339197735 QYXSBBKNILMOEU-UHFFFAOYSA-N 230.242 2.578 30 20 BFED C=CCSCCNC(=O)c1ccc(C=C)cc1 341457077 OYLHBMBMNQPZJT-UHFFFAOYSA-N 247.363 2.979 30 20 BFED C=C[C@@H](C)NC(=O)N[C@H]1CCCCC1(C)C 341651654 NEISBHFLLMGSJB-MNOVXSKESA-N 224.348 2.829 30 20 BFED N#CCCCNc1nc2c(cc1C#N)CCCC2 343604846 NTQCDNQYWLTVCB-UHFFFAOYSA-N 240.310 2.548 30 20 BFED CCOC(=O)C[C@H](C)SCCCCC#N 345111389 XQWRCFWNYICMRL-JTQLQIEISA-N 229.345 2.755 30 20 BFED C[C@H]1CCC[C@H](CCn2cc(C#N)ccc2=O)C1 346356092 VWAQMJLAKVRTSA-QWHCGFSZSA-N 244.338 2.936 30 20 BFED CN(C)c1ccccc1CN[C@@H]1CC[C@H](C#N)C1 349821346 KKWLEAGCFOQNOG-GXTWGEPZSA-N 243.354 2.534 30 20 BFED C=CCCc1noc(C[C@@H]2CC[C@H]3C[C@@H]23)n1 351128440 AHEOGTFEYJNISS-GARJFASQSA-N 218.300 2.777 30 20 BFED Cc1nn(CCSc2ccccc2)cc1C#N 359345951 JFARZCTZLMWITC-UHFFFAOYSA-N 243.335 2.856 30 20 BFED CCCN1CCC(N[C@@H]2CCC[C@@H](C#N)C2)CC1 361441320 UZOOFFLRDAONPL-UKRRQHHQSA-N 249.402 2.533 30 20 BFED N#Cc1ccc(CN2CC[C@H](C3CC3)C2)cc1F 365260092 SFXAUQNGYWSXJI-AWEZNQCLSA-N 244.313 2.929 30 20 BFED N#Cc1cccc(N2CCC(C3CC3)CC2)n1 368027371 VMPNKSZTVFEGHQ-UHFFFAOYSA-N 227.311 2.580 30 20 BFED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccco1 374262955 MWEAHCKHTULLCP-QJPTWQEYSA-N 233.311 2.854 30 20 BFED CC[C@@H](CC#N)NC(=O)c1cc(CC(C)C)c[nH]1 412252087 QBGTZVBCKRGSKK-LBPRGKRZSA-N 247.342 2.635 30 20 BFED C=CC[C@H](C)[C@@H](C)NC[C@@H](C)CCOC 414191007 GNQWHSPRKUCHGO-RWMBFGLXSA-N 213.365 2.849 30 20 BFED C[C@@H]1C[C@H](N[C@@H]2CCC[C@H](C#N)C2)CS1 414223961 HACXBNGPPKMDSL-KXNHARMFSA-N 224.373 2.552 30 20 BFED COC1(COc2cccc(C#N)c2)CCC1 418810411 URGLJRKKOLRHDL-UHFFFAOYSA-N 217.268 2.506 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@@H](C)CC(C)(C)OC 424688958 OKPMBBBDBOKZLC-NSHDSACASA-N 241.375 2.909 30 20 BFED C=C(C)C(C)(C)C(=O)N(C)Cc1ccc(O)cc1 424708429 FKDPYYYQXOZLRL-UHFFFAOYSA-N 247.338 2.953 30 20 BFED N#C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 425271620 IUWUHTWZNHYOGB-GXSJLCMTSA-N 231.255 2.699 30 20 BFED CO[C@H](CN(C)CC(C)(C)C#N)c1ccccc1 433300409 FAEQYKDRLLAHMV-CQSZACIVSA-N 246.354 2.856 30 20 BFED Cc1csc([C@H](C)CN[C@@H]2CC[C@@H](C#N)C2)n1 442840362 LCFRIABJBABIAS-YUSALJHKSA-N 249.383 2.837 30 20 BFED C[C@@H]1C[C@@H]1CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N 448275388 JMIRVIVSJCYHMO-KBXIAJHMSA-N 248.370 2.570 30 20 BFED C=C(C)CCNC(=O)c1ccc(OCC)cc1 448551142 TWQPWEBRTUULGF-UHFFFAOYSA-N 233.311 2.781 30 20 BFED CC[C@@H](NC(=O)c1cc(C#N)[nH]c1C)C(C)(C)C 448917657 LMDOWPHUAFNISQ-GFCCVEGCSA-N 247.342 2.749 30 20 BFED C[C@H](Nc1cccc(CC#N)c1)C1CCOCC1 449701966 RLGAYEKPVMQNDT-LBPRGKRZSA-N 244.338 2.980 30 20 BFED C=CC(C)(C)C(=O)NCc1ccc2c(c1)COC2 450174080 RQOWXCPPHFZJGQ-UHFFFAOYSA-N 245.322 2.545 30 20 BFED CC1(F)CC(Nc2cccc(F)c2C#N)C1 450577084 FPSHKNXEPRQNDP-UHFFFAOYSA-N 222.238 3.000 30 20 BFED C=CCC(C)(C)c1noc(/C=C/[C@@H]2CCOC2)n1 453191109 WDJIDPSMTPLHGQ-MVIFTORASA-N 248.326 2.973 30 20 BFED C=CC[C@@H](C)NC(=O)Nc1cccc(CC#N)c1 455925177 WQQCEDIIFDQPOL-LLVKDONJSA-N 243.310 2.839 30 20 BFED CC#CCN(C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 458458415 OWCJVIWCGBRKTL-BFHYXJOUSA-N 248.370 2.620 30 20 BFED C=C(C)CCNC(=O)N(CC)Cc1ccncc1 458986571 AUZRSIJBFXJXRA-UHFFFAOYSA-N 247.342 2.579 30 20 BFED C=C[C@@H]1CCCCN1C(=O)[C@H]1CCC(=O)C[C@@H]1C 488882997 VVKIBXOWJSULGQ-SCRDCRAPSA-N 249.354 2.559 30 20 BFED C=C[C@@H]1CCCCN1Cc1cc(OC)ccn1 489433622 KKCJUCHIAHSXOP-CYBMUJFWSA-N 232.327 2.631 30 20 BFED C#C[C@@H](NC(=O)[C@H](C)c1ccccc1F)C(C)C 490629017 JWGLXOJFTUUUBF-BXUZGUMPSA-N 247.313 2.703 30 20 BFED C#CCNC(=O)[C@H](C)SC[C@H](C)CC(C)C 490934465 IIBYLLIPJMGITK-NEPJUHHUSA-N 241.400 2.540 30 20 BFED C#CCN(C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1)C1CC1 491626614 LPADFUUQOJRVFV-FRRDWIJNSA-N 233.355 2.683 30 20 BFED C=CCCCN1CCc2ccc(O)cc2C1 533530648 XYYCLWHRDKBOAJ-UHFFFAOYSA-N 217.312 2.717 30 20 BFED CC#CCN1Cc2ccccc2C(C)(C)C1 533935334 ZNGWRGWLWTXBAG-UHFFFAOYSA-N 213.324 2.803 30 20 BFED N#Cc1ccc(F)c(CNC2(C3CC3)CC2)c1 544414220 DMBFIFVKZTZLCK-UHFFFAOYSA-N 230.286 2.730 30 20 BFED C[C@H](CCC(C)(C)C)C(=O)NC1(C#N)CC1 544418038 JDCKYPCHCOIFDU-SNVBAGLBSA-N 222.332 2.621 30 20 BFED C=CCCOCCN[C@H](C)C(C)(C)CC 570773507 OWHXDFMZCCPESJ-GFCCVEGCSA-N 213.365 2.993 30 20 BFED C[C@H]1CCC(C)(C)N1Cc1ccc(C#N)cn1 571698149 OKRWZGINYIALMO-NSHDSACASA-N 229.327 2.716 30 20 BFED C=CCN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)O 577296718 LOELIRBGJCUCGB-CHWSQXEVSA-N 237.343 2.528 30 20 BFED C[C@@H]1CC(C)(C)CC[C@@H]1Nc1cncc(C#N)n1 582480060 CJYSHISNHVYSJG-PWSUYJOCSA-N 244.342 2.975 30 20 BFED C[C@@H](C#N)N(C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1 585113736 ZFXGMWOINSMXNA-CYDGBPFRSA-N 246.354 2.716 30 20 BFED C[C@@H]1CC2(CCOCC2)CN1[C@H]1CC[C@H](C#N)C1 592185404 YRZKJYGWGFWAPZ-RDBSUJKOSA-N 248.370 2.570 30 20 BFED CC(C)O[C@@H]1CCCN([C@@H](C)CCC#N)C1 593053794 MYSQMQBWDNDJOL-QWHCGFSZSA-N 224.348 2.568 30 20 BFED CC[C@@H](C#N)N(C)C(=O)C(C)(CC)CC 594084855 DZVIXIYJTANFHG-JTQLQIEISA-N 210.321 2.573 30 20 BFED CN(CCCCC(C)(C)C#N)Cc1cnc[nH]1 595593544 VZSFRCLDSBMAIO-UHFFFAOYSA-N 234.347 2.562 30 20 BFED CCC(CC)CN(CCC#N)c1cnccn1 596173071 OVKORAQHAVFBDS-UHFFFAOYSA-N 232.331 2.633 30 20 BFED N#Cc1cnc(N2C[C@@H]3CCCC[C@@H]32)c(Cl)c1 596295110 PFARYEQKKBWVMY-JQWIXIFHSA-N 247.729 2.985 30 20 BFED C=C[C@@H](C)NC(=O)CC1(C#N)CCCCC1 597372457 CKRBTDKZOYLZSL-LLVKDONJSA-N 220.316 2.541 30 20 BFED CC[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)C1CC1 598231996 CRTFPYUYKKNJGQ-WFASDCNBSA-N 246.354 2.765 30 20 BFED CCN(C(=O)[C@H](C)c1cccc(C)c1)[C@@H](C)C#N 598360448 RTZSYGNQWVNRJP-QWHCGFSZSA-N 244.338 2.859 30 20 BFED CCN(C(=O)c1csc(Cl)c1)[C@H](C)C#N 598361601 LMIOGGTZLTUPFD-SSDOTTSWSA-N 242.731 2.776 30 20 BFED CCCN(C(C)=O)c1cc(Cl)ccc1C#N 598811548 KXNNBGYHOTWMGR-UHFFFAOYSA-N 236.702 2.975 30 20 BFED C[C@H](CO)S[C@H](C#N)CCc1ccccc1 601078624 NIEJIPKPUWHKSN-YPMHNXCESA-N 235.352 2.625 30 20 BFED CCCC[C@@H](CC)CC(=O)Nc1n[nH]cc1C#N 601641533 RZLOZWBZGYJXNQ-SNVBAGLBSA-N 248.330 2.826 30 20 BFED C[C@@H](CC#N)NCc1cccc2ncccc12 601927130 MNDFOBGIHCZTRU-NSHDSACASA-N 225.295 2.627 30 20 BFED C[C@@H](CN(C)CC1(CC#N)CC1)c1nccs1 602804142 JATAREHWPQOHGJ-NSHDSACASA-N 249.383 2.872 30 20 BFED Cc1cccc(C(=O)N[C@@H](C#N)CC(C)C)c1C 609582230 ZDEVKDKVQNQJDC-CYBMUJFWSA-N 244.338 2.972 30 20 BFED Cc1cc(C#N)ccc1CN1CC=CCC1 614406900 FRNFNCJBWJZEAT-UHFFFAOYSA-N 212.296 2.629 30 20 BFED C[C@@H](c1ccccc1)N1CC[C@](F)(C#N)C1 615643140 DMHOAJBMDWPDNN-AAEUAGOBSA-N 218.275 2.685 30 20 BFED C=C(C)CNC(=O)C/C=C/Cc1ccccc1 635821137 UNHVRFOKOYEBAS-VOTSOKGWSA-N 229.323 2.868 30 20 BFED C=CCC[C@H](CO)N[C@H]1CCCCC[C@@H]1C 651824775 ZLIZGBVYAUZBER-MJBXVCDLSA-N 225.376 2.872 30 20 BFED CC#CCN(C)Cc1nsc2ccccc12 660645098 RVZRAGXSUDNMNZ-UHFFFAOYSA-N 230.336 2.751 30 20 BFED C=CC[C@H]1CCCN(Cc2cccnc2)C1 661378695 KMRHCQHSRFRIEL-ZDUSSCGKSA-N 216.328 2.870 30 20 BFED C=CCCCCCN1C[C@H](C)[C@@](C)(CO)C1 662142905 LBXCWDAGEVUBHI-UONOGXRCSA-N 225.376 2.683 30 20 BFED C=CCCNC[C@H]1C[C@H]1c1ccccc1 668481238 FLOZFUGEPYOWGS-KGLIPLIRSA-N 201.313 2.956 30 20 BFED O=C(NO)c1ccccc1Nc1ccc(F)cc1 671997725 KFGWZEJBCJQWNK-UHFFFAOYSA-N 246.241 2.688 30 20 BFED C#CCN(C(=O)[C@H](CC)CC(C)C)C(C)C 688836403 LFBPKHPFZKHZGI-CYBMUJFWSA-N 223.360 2.929 30 20 BFED CSC1CC(Nc2cccc(OCC#N)c2)C1 706774066 SXQREOUAQTVMBO-UHFFFAOYSA-N 248.351 2.895 30 20 BFED C#CCN(CC#CC)C(=O)C[C@H](C)CC(C)(C)C 742003129 AMQSQZKHINTLCD-AWEZNQCLSA-N 247.382 2.934 30 20 BFED CCc1ccc(C=NOCC2(C)COC2)cc1 742350684 IBTOXQZGLGVJJE-UHFFFAOYSA-N 233.311 2.636 30 20 BFED C=CCCCC(=O)N[C@H]1CC[C@@H](SC)C1 748363428 OFWXUHXPFALIKB-WDEREUQCSA-N 227.373 2.743 30 20 BFED CC(CC1CCCC1)=NNCC(F)F 752732342 CSLUVKTXTNJDEA-UHFFFAOYSA-N 204.264 2.797 30 20 BFED C#C[C@H](CC)NC(=O)N(CC)CC(CC)CC 753245554 HHFNVZRMKKNVCN-CYBMUJFWSA-N 238.375 2.866 30 20 BFED C(=NOCc1ccccc1)C1CCOCC1 755632265 OHTZMYVBVUISCT-UHFFFAOYSA-N 219.284 2.616 30 20 BFED CCCC=NNc1nnc(-c2ccccc2)n1C 755647996 HQELONJDMJIZHB-UHFFFAOYSA-N 243.314 2.680 30 20 BFED C#CCCCNC(=O)NCC1(C)CCCCC1 757712940 ORYLLMJNRIMXCU-UHFFFAOYSA-N 236.359 2.669 30 20 BFED CCCOc1ccc(C=NNC2CC2)cc1 758131936 AHMVFMFJSXWVSK-UHFFFAOYSA-N 218.300 2.561 30 20 BFED C(=NO[C@H]1CCCCO1)C1Cc2ccccc2C1 766452966 LGNXXKFQDGYUNK-HNNXBMFYSA-N 245.322 2.930 30 20 BFED C#CCCCN1C[C@@H](C)Oc2cc(F)ccc21 766901923 AHLVULSTMAMATD-LLVKDONJSA-N 233.286 2.826 30 20 BFED C#CCN(CC)C[C@@H]1C[C@H]1c1ccccc1 769111305 MBHGGVYKMAISNX-GJZGRUSLSA-N 213.324 2.745 30 20 BFED O=C1CCCN1N=Cc1ccccc1C1CC1 769594124 XWJWFFHEFSYLGB-UHFFFAOYSA-N 228.295 2.520 30 20 BFED C=CCCCCNC(=S)NC(C)(C)C 769759855 HRONSMNKPRBFKE-UHFFFAOYSA-N 214.378 2.605 30 20 BFED COc1cccc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)c1 774594179 XAWOUIGIWVZTSV-WHOFXGATSA-N 244.338 2.807 30 20 BFED C#C[C@H](N[C@@H](C)CC1CCCC1)[C@@H]1CCCO1 775574504 PWNKBIVMKXYZQK-QEJZJMRPSA-N 235.371 2.726 30 20 BFED C[C@H]1CC[C@@H](OC(=O)c2ccc(C#N)s2)C1 779263069 JVNMPGDHMNPXNH-DTWKUNHWSA-N 235.308 2.965 30 20 BFED C#CCCCCCC(=O)Nc1cncc(C)c1 779931607 YJGSQPSGUHQNET-UHFFFAOYSA-N 230.311 2.912 30 20 BFED CC(=NNc1ncccc1C)c1ccc(O)cc1 790194081 VDUAGIUSQVWACT-UHFFFAOYSA-N 241.294 2.932 30 20 BFED CC(=NN[C@H](C)C(C)(C)C)c1ccccn1 793110726 BAQMPUCFTUMXTK-LLVKDONJSA-N 219.332 2.830 30 20 BFED CC[C@H](C)CON=C(C)c1ccnc(O)c1 793159992 SKSFKFMBETXBFA-VIFPVBQESA-N 222.288 2.574 30 20 BFED N#Cc1ccccc1C=NNc1ncccc1F 794993315 LTLNUNWTZIKEJJ-UHFFFAOYSA-N 240.241 2.538 30 20 BFED CC[C@](C)(C#N)C(=O)OCCC1CCC1 797265664 HOCLGWWPZWJRNG-GFCCVEGCSA-N 209.289 2.660 30 20 BFED Cc1ccc(C(=O)N2CCCC[C@H]2C)cc1C#N 799294996 UQCOMFDHCDOLTP-GFCCVEGCSA-N 242.322 2.881 30 20 BFED c1ccc(NN=C2CCC[C@H]3C[C@@H]23)nc1 800806751 KPKYZIHVFUGNET-VHSXEESVSA-N 201.273 2.670 30 20 BFED CSC1(C=NNc2ccnc(F)c2)CCC1 800815979 WJTNHVKGZAGBAQ-UHFFFAOYSA-N 239.319 2.904 30 20 BFED C#CCON=C1CC[C@H]2CCCC[C@H]2C1 812236782 YKLRYAPIYAZJES-NEPJUHHUSA-N 205.301 2.983 30 20 BFED CC(=NNCc1ccccc1)c1csc(C)n1 812432625 DEBAFNIVINGFPW-UHFFFAOYSA-N 245.351 2.965 30 20 BFED CCc1ccc(C#CC(=O)NC2CCCC2)cc1 814359975 AUPGAGCORKLDBB-UHFFFAOYSA-N 241.334 2.659 30 20 BFED CCCNN=C1CC[C@@H]2CNc3cccc1c32 814804519 SNEHZIIMQZDWOO-SNVBAGLBSA-N 229.327 2.693 30 20 BFED CC(C)CNN=C1CCCc2ccc(N)cc21 814891814 APYLNOSWJPTDDR-UHFFFAOYSA-N 231.343 2.555 30 20 BFED CC[C@H](C)NN=C(COC)Cc1ccccc1 814912926 DDJHMOPMWJUVID-LBPRGKRZSA-N 234.343 2.620 30 20 BFED C=CCC(F)(F)C(=O)N1C[C@@H](C)C[C@@H]1CC 815737307 FSUCQWRIFMTJAE-UWVGGRQHSA-N 231.286 2.845 30 20 BFED C=C(Br)CN[C@H]1CC=C(C)CC1 816548619 NAVUTTNOABSXEX-JTQLQIEISA-N 230.149 2.983 30 20 BFED C=CCCOCCNC(=O)[C@@H](CC)CCC 821335334 QXXWMZYLGHTLHF-LBPRGKRZSA-N 227.348 2.522 30 20 BFED C=CCC1(C(=O)NCc2ccon2)CCCCC1 826621073 ZRSJKJBPKOMWJA-UHFFFAOYSA-N 248.326 2.817 30 20 BFED C=CC[C@H](C)NC(=O)c1ccc(CF)cc1 828039359 BKHORAIRPFHPTG-JTQLQIEISA-N 221.275 2.851 30 20 BFED CCCCCCCSCC(=O)N(C)C 830074156 GXHMOHMTSPWPFE-UHFFFAOYSA-N 217.378 2.778 30 20 BFED C#C[C@H](C)N(C)C(=O)O[C@H](C)CC(C)C 831293730 NVHSCRFWPBIAGN-WDEREUQCSA-N 211.305 2.511 30 20 BFED Cc1cc(CNC(=O)C#CC(C)C)ccc1Cl 832157708 DYZCWYXWTBQYIG-UHFFFAOYSA-N 249.741 2.924 30 20 BFED CC[C@H](C)[C@@H](C=NNc1ccnc(F)c1)OC 834974295 YOJHZWPEPBTXEF-GXSJLCMTSA-N 239.294 2.680 30 20 BFED CC(C)ON=Cc1ccc(O)c(Cl)c1 835003972 DMLKJNWIPNYQCS-UHFFFAOYSA-N 213.664 2.805 30 20 BFED C=CCON=C1CCCC12CCOCC2 835013051 FUOCCEXUAWKKAS-UHFFFAOYSA-N 209.289 2.526 30 20 BFED C#CCCCOC(=O)C1=CC[C@H](C)CC1 835087665 MJCNOGOJSICQMH-NSHDSACASA-N 206.285 2.689 30 20 BFED CC(C)Oc1ccccc1NC(=O)C#CC1CC1 837347610 YYUWOQCGAYSNAO-UHFFFAOYSA-N 243.306 2.826 30 20 BFED CC(C)[C@@H]1CCCN1C(=O)C#CC(C)(C)C 837366209 TTXZIFNQJNJGDX-LBPRGKRZSA-N 221.344 2.683 30 20 BFED C[C@@H]1CN(C(=O)C#CC2CC2)[C@@H]1c1ccccc1 837444911 YVWSJUVMYGHNGC-WBMJQRKESA-N 239.318 2.619 30 20 BFED C#CCC[C@@H](C)OC(=O)[C@H](C)c1ccco1 839038291 GNPFWURDLWGCLF-GHMZBOCLSA-N 220.268 2.728 30 20 BFED N#CCCSCCCCCCCO 840211337 HCEDBTVCEBBMFI-UHFFFAOYSA-N 201.335 2.576 30 20 BFED CCN(CCO)N=C1CC[C@@H](c2ccccc2)C1 842537829 GPZXSSRAKBHWSB-CQSZACIVSA-N 246.354 2.624 30 20 BFED C#C[C@H](NC(=O)/C=C\CCC)c1ccccc1 843969605 QUNXAJIFOKREKH-VDBIKXPHSA-N 227.307 2.833 30 20 BFED C=C(C)CONC(=O)CCc1ccc(C)s1 846533239 DNULIZXZIKQDEJ-UHFFFAOYSA-N 239.340 2.613 30 20 BFED C=C(CNC(=S)NCC1CC1)c1ccccc1 849263305 LTWSOXVYCIWBRY-UHFFFAOYSA-N 246.379 2.574 30 20 BFED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1cnn(C)c1 851142099 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2.895 30 20 BFED CN(CCCCC#N)CCc1ccccc1 102397542 PZPHJNNZONAIDP-UHFFFAOYSA-N 216.328 2.855 30 20 BFED C=CCSCCNCc1cccs1 105462515 WOUDJAWQJXOIJQ-UHFFFAOYSA-N 213.371 2.757 30 20 BFED C=CC1CCN(C(=O)[C@@H](C)OCCCC)CC1 110361021 VLWOZKXICHXHET-GFCCVEGCSA-N 239.359 2.616 30 20 BFED CCN(CC)C[C@H](C)Nc1cccc(F)c1C#N 112012525 NBPAXKDGULZJNS-NSHDSACASA-N 249.333 2.840 30 20 BFED CCN(CC#N)C(=O)c1cc2cc(F)ccc2o1 117633443 NHMFOEASZYIQQK-UHFFFAOYSA-N 246.241 2.558 30 20 BFED C=CCOC(=O)c1ccc(-n2cc(C)cn2)cc1 119888033 SKGKWPARWIOZAE-UHFFFAOYSA-N 242.278 2.524 30 20 BFED C#CCCCCC(=O)Oc1ccc(C#N)cc1 120376861 OAYLSYJCIMYMLA-UHFFFAOYSA-N 227.263 2.657 30 20 BFED N#Cc1ccc(NC2CC=CC2)c([N+](=O)[O-])c1 125045768 KWYGMNZAWOXCHR-UHFFFAOYSA-N 229.239 2.597 30 20 BFED C=CCC[C@H](C)NCCc1ccncc1 126865897 VWWLXMNYRISPAK-LBPRGKRZSA-N 204.317 2.568 30 20 BFED CC[C@H](CC#N)NCc1ccc(Cl)nc1 135041099 PLKGSOUCKMWAPW-SNVBAGLBSA-N 223.707 2.517 30 20 BFED C=C[C@](C)(CC)C(=O)N1C[C@@H](C)S[C@H](C)C1 135081406 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CC(C)[C@@H]1CC(=NOC/C=C/Cl)CCO1 811672107 QBQPQOLUGNZJDT-VFLNZVHTSA-N 231.723 2.947 30 20 BFED C#CCON=C1C[C@@H](Oc2ccccc2)C1(C)C 812232897 IPENAYLXYSJKGE-CQSZACIVSA-N 243.306 2.870 30 20 BFED CC(=NOCC1CC1)c1ccc(F)cc1 814244313 MWZDDXRUEVWWHA-UHFFFAOYSA-N 207.248 2.976 30 20 BFED CC(C)[C@H]1CC(=NOC[C@@H]2CCOC2)CS1 814912182 LFXDXWQLLLTSAK-ZYHUDNBSSA-N 243.372 2.557 30 20 BFED Cl/C=C\CON=Cc1cccnc1Cl 814934034 IYRAPUZQUWRSFM-XOYCDNFBSA-N 231.082 2.838 30 20 BFED CC[C@H](C)CON=C1CC[C@@H](C(=O)O)[C@H](C)C1 814939508 SQXXNSMVLBMYHV-HOSYDEDBSA-N 241.331 2.926 30 20 BFED CCCC[C@@H]1CCCC1=NN[C@@H]1CCC[C@H]1O 817333292 LXFBCEHMJGPRSX-MRVWCRGKSA-N 238.375 2.836 30 20 BFED CCCCCCCN1CCN(C)C[C@H]1CC 823200336 UEWLLDWGVHGUPX-CQSZACIVSA-N 226.408 2.983 30 20 BFED C#Cc1cnc(N2Cc3ccccc3[C@@H](C)C2)nc1 827299885 VWRNQCZDHRBYEL-LBPRGKRZSA-N 249.317 2.582 30 20 BFED C#Cc1cnc(N(C)CCCCCC=C)nc1 827661659 QPDZYQGYMNTTID-UHFFFAOYSA-N 229.327 2.641 30 20 BFED CC[C@H](c1ccncc1)N(C)C(=O)C#CC(C)C 828337304 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C#Cc1cccnc1NCC[C@@H]1CCO[C@H](C)C1 853476835 UOEXWVFSZCDJMQ-CHWSQXEVSA-N 244.338 2.680 30 20 BFED C#Cc1cccnc1NCCC1CC(OCC)C1 853527520 WZNVZRNKEIMCPI-UHFFFAOYSA-N 244.338 2.680 30 20 BFED N#CC[C@H]1CCCN(c2ccnc(Cl)c2)C1 853762298 ZDQHZPLIGAUCNA-SNVBAGLBSA-N 235.718 2.865 30 20 BFED CC(C)C#CC(=O)NCc1ccccc1Cl 854158519 YPWATRUYLGCIPP-UHFFFAOYSA-N 235.714 2.616 30 20 BFED C=CCC1(NC(=O)NO[C@H](C)C=C)CCCC1 854220524 VJQPEGFFGJXKKP-LLVKDONJSA-N 238.331 2.681 30 20 BFED CC(C)C#CC(=O)N1CC(C2CCCCC2)C1 854666807 GVJWCLXKKAIFRC-UHFFFAOYSA-N 233.355 2.685 30 20 BFED CC[C@@H]1CCC[C@@H]1CNC(=O)C#CC(C)C 854748218 JMOSGRBCVJUNQW-CHWSQXEVSA-N 221.344 2.588 30 20 BFED C#CCCOC(=O)N(CC)CCc1ccccc1 858905709 CQJFFIGINPEUIH-UHFFFAOYSA-N 245.322 2.711 30 20 BFED C#C[C@H](C)OC(=O)[C@H](C)Cc1ccccc1C 860560589 JXBUMQPXWFPCNC-OLZOCXBDSA-N 230.307 2.739 30 20 BFED COc1ccc(O)c(/C=N/[C@@H]2CC23CCC3)c1 871597901 BUSIWEYUYSYTDU-GULXKOIASA-N 231.295 2.762 30 20 BFED C[C@H](ONC(=N)C1CCC1)c1cccc(C#N)c1 871765670 HBDODYWDMKDLHY-JTQLQIEISA-N 243.310 2.918 30 20 BFED CC[C@@H](CC#N)OC(=O)C1CCC=CCC1 873524109 YQXQJJRETTXLHF-LBPRGKRZSA-N 221.300 2.968 30 20 BFED CCC[C@H](CC)C(=O)N(CC)C[C@@H](C)C#N 874072029 KELCQXLEZJNLNM-RYUDHWBXSA-N 224.348 2.821 30 20 BFED C#CCCCNCCc1ccc(C)cc1 877070172 LVHZJUUONNUDGR-UHFFFAOYSA-N 201.313 2.541 30 20 BFED C=CCOc1ccc(OCCOC2CC2)cc1 877877833 FYAYEPQKVKEGLG-UHFFFAOYSA-N 234.295 2.809 30 20 BFED C=C/C=C/CCN(CCC#N)Cc1ccccn1 878167440 FBJBZGTXOXDTJM-ONEGZZNKSA-N 241.338 2.930 30 20 BFED N#C[C@@H](c1ccccc1)N1CCC(F)CC1 880240069 YHDNGZFAPMKUPM-ZDUSSCGKSA-N 218.275 2.685 30 20 BFED C=CC(C)(C)CC(=O)Nc1cc(CC)nc(C)n1 889231794 WKCOEZYKTNJJGR-UHFFFAOYSA-N 247.342 2.888 30 20 BFED N#Cc1ccc(NC[C@@H]2CC=CCC2)c(CO)c1 892036288 RXOATCINYHQICX-GFCCVEGCSA-N 242.322 2.819 30 20 BFED C#C[C@@H](NCc1cnn(C2CCC2)c1)C(C)(C)C 894517691 OGCNEYICTXAVLS-CQSZACIVSA-N 245.370 2.746 30 20 BFED C=C1CCC(C(=O)N2CCC[C@H](C)C2)CC1 895451472 KMFFSPKNBDZREX-LBPRGKRZSA-N 221.344 2.991 30 20 BFED C#Cc1ccc(NC(=S)NC2(C)CCC2)cc1 899730921 POFJEJHSDCLYCI-UHFFFAOYSA-N 244.363 2.897 30 20 BFED Cc1cc(F)ncc1C=NNC1CCCCC1 901227036 HHURNDJVFPNCLW-UHFFFAOYSA-N 235.306 2.785 30 20 BFED C=C(C)C[C@H](N[C@H]1CCC[C@H](C)C1)C(=O)O 901679983 SIZROPKWNOXUNG-SRVKXCTJSA-N 225.332 2.574 30 20 BFED Cc1nonc1CSCc1ccccc1C#N 902272178 UUBCGYISASYLLZ-UHFFFAOYSA-N 245.307 2.683 30 20 BFED CC(=O)C(C)=NOCCc1ccc(C)cc1 902760946 PLSHYRAFKFLUNX-UHFFFAOYSA-N 219.284 2.519 30 20 BFED C[C@H](NCC(C)(C)C#N)c1ccnc(Cl)c1 903100467 PILMFOPAHCMGGC-VIFPVBQESA-N 237.734 2.935 30 20 BFED N#CC1(CCCCN2CCCC[C@@H]2CN)CCC1 903713526 ULWWVMVDSMUZCP-CQSZACIVSA-N 249.402 2.664 30 20 BFED C[C@H]1CC[C@@H](CNC(=O)c2ccsc2C#N)C1 907912412 NWMCDTZJDDRMAO-VHSXEESVSA-N 248.351 2.786 30 20 BFED CCC/C(C)=C/C(=O)OCc1cc(C#N)ccn1 908954640 UKVHLPXPHIQWET-YRNVUSSQSA-N 244.294 2.743 30 20 BFED C=C[C@@H](CC)CC(=O)OCCCSC 909526431 XKJSZUBAAJTFSU-JTQLQIEISA-N 216.346 2.885 30 20 BFED C#CCN(C(=O)N[C@@H](C)CCC(C)C)C(C)C 913849131 AXOUYVWWTKBOFI-ZDUSSCGKSA-N 238.375 2.864 30 20 BFED C#CCCCCN[C@@H](C)c1c(C)noc1C 925526759 LIFPQBBEYVJVEP-JTQLQIEISA-N 220.316 2.746 30 20 BFED C=C[C@H](CC)CC(=O)NC[C@H](O)CC(C)(C)C 933076694 JHXVBLAWDZAPEF-VXGBXAGGSA-N 241.375 2.502 30 20 BFED C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@@H](C)C1 933818176 VGZFOMVJSJNOCW-TUAOUCFPSA-N 209.333 2.703 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@@H](C)C1CCOCC1 934792656 HKVPMYVNUODJAZ-RYUDHWBXSA-N 239.359 2.520 30 20 BFED CC(C)CSCCNc1cccc(CC#N)n1 1116661598 HHNUNHFTFCWIBI-UHFFFAOYSA-N 249.383 2.949 30 20 BFED CC(=O)c1ccc(C(=O)OC[C@@H](C)C#N)cc1C 1263416101 WSTJWJFMIPKWGY-VIFPVBQESA-N 245.278 2.514 30 20 BFED CCN1CCC[C@@H](Nc2ccc(CC#N)cc2)C1 1308674620 SIUJRYUJCJWNCC-OAHLLOKOSA-N 243.354 2.649 30 20 BFED C#CCN(Cc1cccc(C#N)c1F)CC1CC1 1319920225 WKEZYJJLXWJEJV-UHFFFAOYSA-N 242.297 2.543 30 20 BFED C=CCCCOC(=O)c1cnc(C)nc1C1CC1 1321184178 JKDALABNGLTTSJ-UHFFFAOYSA-N 246.310 2.785 30 20 BFED C[C@H]1CCC[C@H]1NC(=O)c1csc(C#N)c1 1328232655 KFNFPQMCROLFTN-GZMMTYOYSA-N 234.324 2.538 30 20 BFED C=C[C@H](COC)Nc1nc2cccc(F)c2o1 1331533830 PTBRTFNBHNAHRN-MRVPVSSYSA-N 236.246 2.580 30 20 BFED C=CC[C@H](N[C@H](C)CCC1CCCC1)C(=O)O 1331951457 SIRYUGYBONVFLL-YPMHNXCESA-N 239.359 2.964 30 20 BFED C=C[C@H](COC)N[C@@H](C)c1ccc(F)cc1F 1338111831 HNBSZUGUPLKOGT-GXSJLCMTSA-N 241.281 2.816 30 20 BFED C=C[C@@H](COC)NC/C=C/c1ccc(F)cc1 1342732579 LPSFKQSXFSZJFK-NNTXTVRGSA-N 235.302 2.630 30 20 BFED N#C[C@@H]1CC[C@H](OC(=O)C[C@@H]2CC[C@H]3C[C@H]23)C1 1344048903 GRGQJGXBGCRRRV-MOLYVOAJSA-N 233.311 2.658 30 20 BFED C=C(C)CCC(=O)OCC1(OCC)CCC1 1345627761 RRKVBJSKGDNFAJ-UHFFFAOYSA-N 226.316 2.845 30 20 BFED CCO[C@H]1CCCC[C@H]1OC(=O)CCCC#N 1346061798 UEVZATPTESEFFR-NWDGAFQWSA-N 239.315 2.571 30 20 BFED C=C(C)CCC(=O)N[C@H](CCO)c1ccccc1 1346919659 DWRQOMFZZMCXDA-CQSZACIVSA-N 247.338 2.583 30 20 BFED C=C(CC(C)C)C(=O)N1CCOC[C@@]1(C)CC 1348202636 HDRAELPZVRDMDD-CQSZACIVSA-N 239.359 2.616 30 20 BFED N#CCCCCCC(=O)N[C@@H]1CCC[C@H](F)C1 1349430820 UILFTOVAVKRRNB-NWDGAFQWSA-N 240.322 2.857 30 20 BFED C=C(CC)C(=O)NC[C@@H](C)c1ccsc1 1548660945 GDVXHSWPICLXHE-SNVBAGLBSA-N 223.341 2.934 30 20 BFED C=CC[C@@]1(C(=O)O)CCN(CCC(C)(C)C)C1 1776160594 VDLGKRIPTYSXFY-CQSZACIVSA-N 239.359 2.775 30 20 BFED CCCC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 16010443 XHTRXCAASVWNIH-VIFPVBQESA-N 227.267 2.539 30 20 BFED C[C@@H](NCc1ccc(C#N)cc1)c1cccnc1 20127633 XVBAPIWQFFFDBG-GFCCVEGCSA-N 237.306 2.804 30 20 BFED Cc1ccc(NC(=O)N(C)CCC#N)cc1F 34377835 TWJWOXHJRNCJOD-UHFFFAOYSA-N 235.262 2.512 30 20 BFED CCN(C[C@H](C)C#N)C(=O)Cc1ccccc1C 42296633 XLYUUYPGRDDWFY-GFCCVEGCSA-N 244.338 2.546 30 20 BFED N#Cc1cccc(C(=O)N2Cc3ccccc3C2)c1 50912506 MYUDXBSZGXHQGG-UHFFFAOYSA-N 248.285 2.714 30 20 BFED CCCOc1ccc(NC(=O)C(C)(C)C#N)cc1 51786421 MSRBWQKPOVMWPG-UHFFFAOYSA-N 246.310 2.964 30 20 BFED C#CCN1CCC[C@H]1c1cccc(F)c1 52455515 GBCCWEJDNCUJCV-ZDUSSCGKSA-N 203.260 2.596 30 20 BFED C=CCN(CC=C)Cc1ccccc1[N+](=O)[O-] 52868093 WFGQWHQYOUPXGR-UHFFFAOYSA-N 232.283 2.769 30 20 BFED CC[C@H](CC#N)NC(=O)Nc1cccc(OC)c1 54178304 TXXMIELETZQARC-SNVBAGLBSA-N 247.298 2.509 30 20 BFED COc1ccc(Cl)cc1CNC[C@H](C)C#N 54181658 RQAWMLIIIJBCKI-SECBINFHSA-N 238.718 2.598 30 20 BFED CC[C@@H](C)CNc1ccc(C#N)cc1[N+](=O)[O-] 54474255 FUTCQZPQVINPAO-SECBINFHSA-N 233.271 2.924 30 20 BFED Cc1cccc(C(=O)N[C@@H](C#N)CC(C)C)c1 57518559 IXABNZISSBJELM-CYBMUJFWSA-N 230.311 2.663 30 20 BFED CCC[C@H](C)C(=O)Oc1ccc(C#N)cc1OC 60388028 VYBBFDQLJPAXDX-JTQLQIEISA-N 247.294 2.908 30 20 BFED Cc1cnc(N[C@@H](C)c2ccc(C#N)cc2)nc1 63048647 KQDLHLJCIVGPHF-NSHDSACASA-N 238.294 2.830 30 20 BFED N#CCC[C@H](C#N)CSc1ccccn1 66237480 CUTSTGXOIZQRLU-SNVBAGLBSA-N 217.297 2.617 30 20 BFED C[C@H]1CCC[C@@H]1Nc1ccc(C#N)cn1 70916831 JHJYGMPIEYYQHB-ONGXEEELSA-N 201.273 2.554 30 20 BFED C=CCN(CC=C)C[C@@H](O)c1ccccc1F 75672825 UGMSKCVBASALRJ-CQSZACIVSA-N 235.302 2.533 30 20 BFED CCCCC[C@@H](C)C/C(O)=N/S(C)(=O)=O 76758227 LGOPLCDMUPFUDG-SECBINFHSA-N 235.349 2.509 30 20 BFED C[C@H](O)C[C@H](C)CNc1cccc(F)c1C#N 77228901 JDFOSZZUGDXHJA-UWVGGRQHSA-N 236.290 2.516 30 20 BFED CC#CCN(C)[C@H](C)Cc1ccsc1 81600081 PEVJQANGZJBPNK-LLVKDONJSA-N 207.342 2.634 30 20 BFED CC(C)(C#N)CC[S@](=O)c1ccc(F)cc1 83640469 OXTSAFHVFSIUQZ-MRXNPFEDSA-N 239.315 2.873 30 20 BFED CC[C@H](C)NC(=O)Nc1ccc(F)cc1C#N 97036281 GOYWNBGDLUQXQS-QMMMGPOBSA-N 235.262 2.617 30 20 BFED C[C@@H]1CCC[C@@H](OC(=O)c2ccc(C#N)cn2)C1 107428123 MXQPUBHRXIEUII-ZYHUDNBSSA-N 244.294 2.689 30 20 BFED C#CCCOc1cccc2c1OC(C)(C)C2 113272922 QGTRAOVPWVVBPK-UHFFFAOYSA-N 216.280 2.802 30 20 BFED CC[C@@H](OC(=O)CSCC#N)c1ccccc1 113474588 MKBCINBSYFVBNZ-GFCCVEGCSA-N 249.335 2.938 30 20 BFED CCCCCCCCN1CCO[C@@H](C#N)C1 115549050 COMNNPLEQGBAFS-ZDUSSCGKSA-N 224.348 2.571 30 20 BFED C=CCC[C@H](C)NCc1scnc1C 126826819 ZPIUYTHRNALIHF-VIFPVBQESA-N 210.346 2.896 30 20 BFED C[C@H]1CCCC[C@H]1Nc1ccc(C#N)nc1 131882537 IUTIGKVYWCRQRN-GXFFZTMASA-N 215.300 2.944 30 20 BFED CC#CCNCc1ccc(Cl)c(C)c1 134656712 UNFPKFQAGXTGEL-UHFFFAOYSA-N 207.704 2.761 30 20 BFED C=CC[C@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] 134715937 RXFNFSZTXZITAO-VIFPVBQESA-N 231.255 2.843 30 20 BFED C=CC[C@@H](C)NCc1nn(C)c2ccccc12 134747549 CAYCGWZDMUKDRL-LLVKDONJSA-N 229.327 2.628 30 20 BFED N#Cc1ccc(CNC[C@@H]2Cc3ccccc32)o1 135173984 VQLDKWLZJOLAKH-LBPRGKRZSA-N 238.290 2.581 30 20 BFED CC(C)(C)O/C(O)=C(/[N+]#N)C(=O)C(F)(F)F 136918788 RQLYZKIEKUUOAA-UHFFFAOYSA-O 239.173 2.513 30 20 BFED C#CCN(C)[C@H](CC)c1ccc(F)cc1 142242055 NTWWGXZYDHBBJX-CYBMUJFWSA-N 205.276 2.842 30 20 BFED CC(C)(CNc1nccnc1C#N)C1CCCC1 157429093 HASUVXAEVAOKFQ-UHFFFAOYSA-N 244.342 2.977 30 20 BFED N#Cc1ccc(OC(=O)CC2CCC2)c(F)c1 158265511 WDHCEHXHEOIHMO-UHFFFAOYSA-N 233.242 2.793 30 20 BFED C=C(Cl)C[S@@](=O)Cc1c(CC)noc1C 158547439 BTGBVWQVEFRUIK-HNNXBMFYSA-N 247.747 2.547 30 20 BFED C=CCOC(=O)[C@H](SC)c1ccccc1 172419864 FDUOAKWLOQTNTO-LLVKDONJSA-N 222.309 2.820 30 20 BFED C=CCCOC(=O)c1occc1Br 175558709 ZTFSXAWGPUIMNG-UHFFFAOYSA-N 245.072 2.775 30 20 BFED C=CCCC(=O)Nc1cnc2ccccc2n1 176070579 GGUKBGSFBCCRKL-UHFFFAOYSA-N 227.267 2.535 30 20 BFED C=C(C)CS[C@@H](C)C(=O)NC(C)(C)CC 177870967 CZEIJMCDYNLTMU-JTQLQIEISA-N 229.389 2.989 30 20 BFED C#CCCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 178056151 ALJRFYDOHVTZGM-LBPRGKRZSA-N 246.310 2.967 30 20 BFED C=C(C)CN(C)C[C@H](O)c1ccc(F)c(F)c1 181243927 WDXLSVOZIFWZGN-ZDUSSCGKSA-N 241.281 2.506 30 20 BFED C=C(C)CN(C)Cc1cn2cc(Cl)ccc2n1 181276580 UATDTWNVQBISBW-UHFFFAOYSA-N 249.745 2.996 30 20 BFED C#CCN[C@H](C)c1cccc(N2CCCC2)c1 181884337 UZONVBBXCDENOO-CYBMUJFWSA-N 228.339 2.571 30 20 BFED C=CCCC[C@H](C)N[C@H]1CCN(C)[C@H](C)C1 182183860 UVXYSHYZOQULCB-MJBXVCDLSA-N 224.392 2.804 30 20 BFED C=C(C)CN(CC)Cc1cc(OC)ccc1O 183476386 CJPRXAYYFVTZDV-UHFFFAOYSA-N 235.327 2.799 30 20 BFED CCc1ccc(CC(=O)O[C@H](C#N)CC)cc1 184564910 JYJALDNZNSJJRG-ZDUSSCGKSA-N 231.295 2.637 30 20 BFED C#CCCCN[C@H](c1ccccc1)c1ncc[nH]1 188087188 ROXHBGHVRDLIKE-CQSZACIVSA-N 239.322 2.502 30 20 BFED N#Cc1c(F)cccc1C(=O)N[C@H]1C=CCCC1 188537919 MORKHBBUENRZTP-JTQLQIEISA-N 244.269 2.536 30 20 BFED C=CCC1(C(=O)N(CC)C[C@@H](C)C#N)CCC1 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20 BFED CSc1ccc(C)c(C(=O)NCCCC#N)c1 273027612 MAYDCDYCTDZDHU-UHFFFAOYSA-N 248.351 2.751 30 20 BFED C#CCCCN[C@H](c1nc(C)cs1)C1CC1 273232775 DPBXAVQYQNDVEQ-LBPRGKRZSA-N 234.368 2.906 30 20 BFED C=CCCCCNC(=O)N(C)Cc1ccncc1 274679254 RCQFAJOXTJUGSV-UHFFFAOYSA-N 247.342 2.579 30 20 BFED CC(C)(C#N)C(=O)Nc1ccsc1Cl 275572994 CPGNCOLTLOVXPZ-UHFFFAOYSA-N 228.704 2.890 30 20 BFED C=CCCN(C)C(=O)[C@@H](C)c1cccc(F)c1 276331151 DUKCVUXSNOUPRE-NSHDSACASA-N 235.302 2.964 30 20 BFED C#CCCCOc1ccc([N+](=O)[O-])c(OCC)c1 276585056 NOZWASSBBOQVKM-UHFFFAOYSA-N 249.266 2.786 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@H](OC)c1ccccc1 281279129 HRPKOHHDQODLLD-ZIAGYGMSSA-N 247.338 2.845 30 20 BFED C=CCN(C)Cc1ccc(-c2cnn(C)c2)s1 282769083 JHJIVGRWDWHYTJ-UHFFFAOYSA-N 247.367 2.766 30 20 BFED COCC1(C/N=C/c2ccccc2O)CCC1 283748120 FQYYTLIHNSZDMI-OQLLNIDSSA-N 233.311 2.628 30 20 BFED C=C(C)CN(CC)C(=O)N[C@H](C)C(F)(F)F 288764265 ICDCBOPOBSQLSE-MRVPVSSYSA-N 238.253 2.545 30 20 BFED Cc1ncsc1CCN[C@H]1CCC[C@H](C#N)C1 294986792 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20 BFED C[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(C#N)n1 335375606 MJPWOHDHGPAMMY-PWSUYJOCSA-N 243.310 2.718 30 20 BFED C=C[C@H]1CCCCN1C(=O)CC(C)(F)F 335829415 WNZILTIHVRXFCD-VIFPVBQESA-N 217.259 2.599 30 20 BFED CC1(C)CC(C(=O)N2CCCC(C)(C)[C@H]2C#N)C1 336153204 BJDHBBWBAJIDGJ-GFCCVEGCSA-N 248.370 2.963 30 20 BFED C=C[C@@H](C)NC(=O)[C@@H]1CSc2ccccc21 336490101 IYJQROFDYROMHD-MWLCHTKSSA-N 233.336 2.567 30 20 BFED CN(c1cc(C#N)ccn1)C1Cc2ccccc2C1 336536960 ORDHZKCKAYJGPL-UHFFFAOYSA-N 249.317 2.557 30 20 BFED Cc1cnc(COc2cc(C#N)ccc2C)o1 336605539 WIPSSIVYHAWGJX-UHFFFAOYSA-N 228.251 2.742 30 20 BFED C=CCN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1CC 338446467 GOIOLKOVXSGGCQ-HUUCEWRRSA-N 243.350 2.997 30 20 BFED C=CCOCCN(C)[C@H]1CC[C@H](SCC)C1 339010136 BMPGJRAWPWPMRP-STQMWFEESA-N 243.416 2.795 30 20 BFED C=CCCO[C@@H](C)C(=O)N(CC)[C@H](C)C(C)C 342284452 RYEMFWAOTPHDQW-OLZOCXBDSA-N 241.375 2.861 30 20 BFED C[C@H](c1cccnc1)N(C)CC(C)(C)C#N 347767353 ULLRTIYPFPAKTN-LLVKDONJSA-N 217.316 2.624 30 20 BFED 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C=CCCC[C@H](C)NC(=O)c1cc(C#N)[nH]c1C 450427593 SRAOOHTWIISAKX-JTQLQIEISA-N 245.326 2.669 30 20 BFED C=C(CC)CNC(=O)N(CC)CC(C)C 459071069 GPURKZQRIAPLHT-UHFFFAOYSA-N 212.337 2.640 30 20 BFED C=CCCCCNC(=O)N(C)CCC1CC1 472838459 VUUSXFSHPCTYQU-UHFFFAOYSA-N 224.348 2.784 30 20 BFED C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)s2)CC1 487260860 IFMMHSCACPHTNY-MGCOHNPYSA-N 248.351 2.928 30 20 BFED C=CC[C@H](C)NC(=O)N1CC[C@H]2CCC[C@@H]21 488909800 CDWSYSRSEGYKMX-TUAOUCFPSA-N 222.332 2.535 30 20 BFED CN(Cc1ccc(C#N)c(F)c1)[C@@H]1CC1(C)C 489449834 OMZPNFZIBWLZSE-CYBMUJFWSA-N 232.302 2.928 30 20 BFED C#CCN(C(=O)/C(C)=C/C)C1CCCCC1 490778731 KBELASPGJFBHQP-LFYBBSHMSA-N 219.328 2.747 30 20 BFED C#CCN(CC)C(=O)c1sccc1C1CC1 490891351 DJWSHCUGVKIKEQ-UHFFFAOYSA-N 233.336 2.721 30 20 BFED C=CCCC[C@H](C)NC(=O)C[C@@H](C)n1ccnc1 519407667 USPBWRBDYLPUSC-QWHCGFSZSA-N 249.358 2.695 30 20 BFED C[C@H](CN1CCC(CC#N)CC1)C(F)(F)F 541949800 YSRVXBPASJCVGO-SECBINFHSA-N 234.265 2.810 30 20 BFED C=CC[C@H](Cc1ccccc1)NC[C@@H](O)CC 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BFED C=CCOCC(=O)Oc1ccc(C)c(Cl)c1 841332612 SSBOBKYDVXQDRE-UHFFFAOYSA-N 240.686 2.756 30 20 BFED C#CCCCCCC(=O)N[C@H]1CCS[C@H]1C 843743971 SCJBXIDMIZVHJZ-RYUDHWBXSA-N 239.384 2.580 30 20 BFED C=C[C@H](C)N[C@H](C)c1cccc(OC)c1O 846143894 APJCMUHAYUGYBI-VHSXEESVSA-N 221.300 2.626 30 20 BFED C=C(C)CONC(=O)CCc1ccccc1C 846538985 NQSQFWVGSAHHCW-UHFFFAOYSA-N 233.311 2.552 30 20 BFED CCCOC(=O)[C@H](C)Cc1ccc(C#N)cc1 847627023 KQTONIVRJFHONA-LLVKDONJSA-N 231.295 2.690 30 20 BFED CC[C@@H](C)C(=O)OCCc1ccc(C#N)cc1 849647036 BMDRPUIPFHWIBJ-LLVKDONJSA-N 231.295 2.690 30 20 BFED COC1(C(C)=NNCc2ccccc2)CCC1 853278114 XVJIKTSKIAADKT-UHFFFAOYSA-N 232.327 2.721 30 20 BFED C#Cc1cccnc1N(C)C[C@@H](C)CC 853312532 XXUAWKYMNYXQOP-NSHDSACASA-N 202.301 2.545 30 20 BFED COCc1ccc(C=NN2CCCC[C@H]2C)o1 853378746 CCHZDVIIODCBFG-LLVKDONJSA-N 236.315 2.634 30 20 BFED Cc1ccc(NN=C2CCO[C@@H]2C)cc1F 853438575 HAWGEDNQMGJCLF-SECBINFHSA-N 222.263 2.711 30 20 BFED C=CCCCOc1cccc(OC(=O)NC)c1 853743184 ISLDFOWOZZAFKJ-UHFFFAOYSA-N 235.283 2.750 30 20 BFED CC[C@](C)(C#N)NC(=O)/C=C(/C)c1cccs1 857599731 FYRXVMOVCUCXAE-CHOZFAJLSA-N 248.351 2.960 30 20 BFED C=C[C@H](C)NC(=O)OCc1ccccc1C 859060643 YHPXTVCCNNITJU-NSHDSACASA-N 219.284 2.796 30 20 BFED C=CCCCOC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 860138116 ISXFALWAUMDGOK-USZNOCQGSA-N 226.316 2.555 30 20 BFED COCC[C@H]1CCCC1=NNc1cccc(C)n1 863160085 QDZWDVHBDCWJBW-GFCCVEGCSA-N 247.342 2.995 30 20 BFED C=C[C@](C)(CC)COC(=O)C(C)(C)OCC 870307268 BJSHXHVVKRQGIS-CYBMUJFWSA-N 228.332 2.947 30 20 BFED CC1(C)CCC[C@H]1NN=C1CC[C@@H]2C[C@H]12 872372488 ZEGISCWPNVGETM-JFGNBEQYSA-N 206.333 2.941 30 20 BFED CCc1ccccc1NN=C1COC[C@@H]1C 884416336 YPGMFUTWMSABHW-JTQLQIEISA-N 218.300 2.683 30 20 BFED C=C/C=C\CCOC(=O)[C@@](C)(C#N)CC 884503064 ADRMHDCFHOYBJS-ZHRWSRJISA-N 207.273 2.602 30 20 BFED C=CC(C)(C)CC(=O)N(C)c1cnccc1C 889981547 CNDOKEHDZDGHSM-UHFFFAOYSA-N 232.327 2.955 30 20 BFED C=CC1(OC(=O)Cc2ccc(Cl)cn2)CC1 893358942 KQZSUMOYVYIBCK-UHFFFAOYSA-N 237.686 2.539 30 20 BFED C=CC1(OC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)CC1 893359544 UTNZQFSDBNVGGO-HZSPNIEDSA-N 240.302 2.834 30 20 BFED CCC#CCOC(=O)C[C@@H]1CCC[C@H](OC)C1 893840768 WNKUBCSBVHQDCL-OLZOCXBDSA-N 238.327 2.538 30 20 BFED C=C1CN(C(=O)c2cc3c(s2)CC[C@@H](C)C3)C1 898689564 VHYOZGQOAOEMTC-SECBINFHSA-N 247.363 2.885 30 20 BFED C=CCCCN(CC)[C@H](CCCC)C(=O)O 903960978 KBMGCGLKWIFGJI-GFCCVEGCSA-N 227.348 2.918 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1cc(C)nc(C)n1 906092108 BHORJKVRXMGMBC-NSHDSACASA-N 233.315 2.634 30 20 BFED CCCCNN=Cc1cc(C)ccc1OC 915969454 KCIBVIJGLZOMEC-UHFFFAOYSA-N 220.316 2.727 30 20 BFED CCCC(C)=NNc1ccc(Cl)nn1 916288302 UTZRBUQIYXIEFU-UHFFFAOYSA-N 212.684 2.718 30 20 BFED C=C[C@H](CC)CC(=O)N1CCO[C@](C)(CC)C1 935566803 WKJXPYQKAIMEQD-TZMCWYRMSA-N 239.359 2.616 30 20 BFED C=C[C@H](COC)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 1116644694 SNJZNGJCBIMVFJ-JSLGZRHDSA-N 235.371 2.602 30 20 BFED C=CC[C@@H](NC(=O)CC1CC1)c1ccncc1 1251886260 RXKYZTSRTVPHGZ-CYBMUJFWSA-N 230.311 2.615 30 20 BFED CC[C@H](C)n1nccc1C(=O)OCCCCC#N 1263373892 UQHOSJFZXJCYDC-NSHDSACASA-N 249.314 2.705 30 20 BFED Cc1nocc1CNc1ccc(Cl)c(C#N)n1 1307182913 TWIGZDMMSZIGLH-UHFFFAOYSA-N 248.673 2.515 30 20 BFED C#CCCOc1ccc(OCC(C)C)nc1 1326485884 HCKMHJDQLBWOMP-UHFFFAOYSA-N 219.284 2.519 30 20 BFED C#CCN(CC1CC1)C(=O)[C@H](C)c1ccsc1 1335567274 PMBJMSMMTDURNI-LLVKDONJSA-N 247.363 2.723 30 20 BFED C=CCOc1cccc(NC(=O)[C@@H]2C[C@@H]2F)c1 1336856359 WUCFQNMQFWWVGH-NEPJUHHUSA-N 235.258 2.548 30 20 BFED C=C(C)CCC(=O)N1CCS[C@@H](C)CC1 1337235132 MKSVRAOCZTXYMI-NSHDSACASA-N 227.373 2.697 30 20 BFED C=CCC[C@H]1CCCN1C(=O)COCCCC 1337548857 AFPUUKOOOFLKCY-ZDUSSCGKSA-N 239.359 2.760 30 20 BFED CCc1ccc(NCC(C)(C)CC#N)nc1 1339740510 ACNZRUVTCPRZJN-UHFFFAOYSA-N 217.316 2.996 30 20 BFED C=CCn1c(CCC)nnc1N1C[C@H](C)[C@@H](C)C1 1340276741 CMOVYFRYGMQHQL-RYUDHWBXSA-N 248.374 2.509 30 20 BFED C=CCC[C@H](C)OC(=O)[C@H]1CCC[C@H]1OC 1345307599 VKLKUZZKMOHOHB-SDDRHHMPSA-N 226.316 2.699 30 20 BFED C#C[C@H](Nc1ncnc2c1CCC2)c1ccccc1 1349076599 OLRJKYPJYVXGJM-AWEZNQCLSA-N 249.317 2.752 30 20 BFED C=C(CC(C)C)C(=O)Nc1ccc(C)nc1 1351666215 KSIRVQFUUJQGJB-UHFFFAOYSA-N 218.300 2.931 30 20 BFED C#CC(=O)N1CC=C(c2cccc(C)c2C)CC1 1352172244 WJGWJXMYWUKENK-UHFFFAOYSA-N 239.318 2.552 30 20 BFED C=CCCC[C@H](C)NC(=O)c1ccns1 1358100217 AYWSKBIYWJQNMF-VIFPVBQESA-N 224.329 2.618 30 20 BFED C=C(C)CCC(=O)O[C@@H](CC)CCOC 1358106558 WMYNFVNAUYUJGI-NSHDSACASA-N 214.305 2.701 30 20 BFED C=C(C)CCC(=O)OCCc1cccc(C)n1 1525873930 RNQOGXPZKXMPBA-UHFFFAOYSA-N 233.311 2.832 30 20 BFED C=C(C)CCN[C@@](CC)(C(=O)O)c1ccccc1 1588559786 SVJVNWOFXHBDMO-OAHLLOKOSA-N 247.338 2.932 30 20 BFED C=C(C)CCn1nc(C)c([C@H](C)C(=O)O)c1C 1588561508 HEYFSUBOALHWIO-VIFPVBQESA-N 236.315 2.654 30 20 BFED C=CC[C@H](C(=O)O)N1CCC[C@@](C)(CC)C1 1588729809 NQJGWEDCAWIXPN-DGCLKSJQSA-N 225.332 2.528 30 20 BFED Cc1cc(N[C@@H]2CC[C@H](C#N)C2)ccc1C(=O)O 1611158039 YCYYARFPPHGRLW-CMPLNLGQSA-N 244.294 2.797 30 20 BFED O=C(O)c1cc(NN=Cc2ccco2)ccc1F 1776061855 RNPFPDATJSDZLM-UHFFFAOYSA-N 248.213 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242.282 2.524 30 20 BFED C=CCN(CCC#N)Cc1ccnc(Cl)c1 292307721 VDYQCGBNSFQOLG-UHFFFAOYSA-N 235.718 2.637 30 20 BFED C=CCOCCN(CC)c1ccccc1 292813884 NKJYUDHOYYKHBT-UHFFFAOYSA-N 205.301 2.716 30 20 BFED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1C(=O)CC#N 292837160 XAWFYTXCHTXMLN-MBNYWOFBSA-N 242.322 2.693 30 20 BFED C#CCO[C@@H](C)C(=O)Nc1cccc(C(C)C)c1 294539054 ZXWFYNJTZDCVSS-LBPRGKRZSA-N 245.322 2.787 30 20 BFED C=C(Cl)CN[C@H](COC)c1ccc(C)o1 299180177 ZCPGOWUONFWYQH-SNVBAGLBSA-N 229.707 2.618 30 20 BFED C=CCCO[C@@H](C)C(=O)Nc1ccccc1F 299340800 UCWJRLSYQKUWJQ-JTQLQIEISA-N 237.274 2.745 30 20 BFED C#C[C@H](NCc1ccc(F)c(C)c1)C(C)C 300915098 MHDZPGXTGFIBNX-AWEZNQCLSA-N 219.303 2.882 30 20 BFED C=C[C@H](Sc1cc(F)ccc1F)C(=O)OC 301033282 SGIRDGBYFTXNGE-VIFPVBQESA-N 244.262 2.785 30 20 BFED CC(C)CCN(C)c1ccc(C#N)cc1[N+](=O)[O-] 301112523 VUQSZIAQOGBTLP-UHFFFAOYSA-N 247.298 2.949 30 20 BFED N#Cc1ccc(Oc2ccc3c(c2)CCC3)nn1 301936621 RORNTNYIADSURG-UHFFFAOYSA-N 237.262 2.629 30 20 BFED CCCCCCCN1CC[C@]2(CCNC2)C1 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30 20 BFED CCCOC(=O)N[C@@H]1CCc2cc(C#N)ccc21 859137477 LYVUUWUANONVPO-CYBMUJFWSA-N 244.294 2.682 30 20 BFED C#CCCOC(=O)N1CC2(CCC2)[C@H]1C(C)C 859166582 FYHHABKNULVRJW-GFCCVEGCSA-N 235.327 2.657 30 20 BFED CCCCCCCNC(=O)c1nocc1C 869379269 WLRAOIHZZDINMC-UHFFFAOYSA-N 224.304 2.683 30 20 BFED C=CCNN=C(CC)c1cccc(OC)c1OC 872373810 RQAXEMVXPSRQDT-UHFFFAOYSA-N 248.326 2.594 30 20 BFED Cc1cc(C)c(/C=C\C=NNC[C@H](C)O)cc1C 872378056 SZOGKTKDSWLCON-VBSJYUAXSA-N 246.354 2.581 30 20 BFED CCC[C@H](CC)C(=O)N(CCC#N)CC1CC1 874356333 UPBBHZHTXDYGBS-ZDUSSCGKSA-N 236.359 2.965 30 20 BFED C=C(C)CN1CCc2ccc(NC(C)=O)cc2C1 880029379 XOBRWXZIWZROFR-UHFFFAOYSA-N 244.338 2.579 30 20 BFED N#Cc1ccccc1SCOC(=O)C1CCC1 882128818 XQRFEHCGLFWVCZ-UHFFFAOYSA-N 247.319 2.951 30 20 BFED C=CC(C)(C)CC(=O)N[C@@H](C#N)CC(C)C 889810221 GPPVFYIZNOQBFU-LLVKDONJSA-N 222.332 2.643 30 20 BFED C=CC(C)(C)CC(=O)N[C@@]1(CCC)CCOC1 890516691 KYONFHUVCXVTBX-AWEZNQCLSA-N 239.359 2.664 30 20 BFED CCc1ccc2c(c1)CCN2C(=O)[C@H](C#N)CC 891383738 ITVKBOTVEUFYLH-LBPRGKRZSA-N 242.322 2.688 30 20 BFED CC(C)(C)c1ccc2[nH]c(C(=O)NO)cc2c1 892165293 SFBMIQCLQYKTTB-UHFFFAOYSA-N 232.283 2.584 30 20 BFED CCC#CCOC(=O)c1c(C)noc1C(C)C 893833399 PTNVNQGRXZCGJG-UHFFFAOYSA-N 235.283 2.677 30 20 BFED C=C1CCN(C(=O)[C@H]2CCOC3(CCC3)C2)CC1 896180422 CBFUCVBXNMXAIT-ZDUSSCGKSA-N 249.354 2.514 30 20 BFED C#Cc1ccc(N[C@@H](C)[C@H]2CCCOC2)cc1 898498091 GISCSWPZJNENTA-JSGCOSHPSA-N 229.323 2.895 30 20 BFED CC1(C)CCC/C(=C/c2ccc(=O)[nH]c2)C1=O 901483118 NTUIXOOPIDCNFU-FLIBITNWSA-N 231.295 2.538 30 20 BFED C=CCNC(=S)Nc1ccc(C(C)C)nc1 905651858 MLLDGARCWVCJLC-UHFFFAOYSA-N 235.356 2.677 30 20 BFED N#C[C@@H]1CCCN([C@H]2C[C@H]2c2cccc(F)c2)C1 906597997 SPXQRCUFCBDQIW-CQDKDKBSSA-N 244.313 2.917 30 20 BFED C=CCC(C)(C)C(=O)NN1[C@@H](C)CCC[C@@H]1C 907991206 ZVSFSNBKBHVNRZ-RYUDHWBXSA-N 238.375 2.883 30 20 BFED C=CCCC(=O)[C@H]1CCCN1C(=O)/C(=C\C)CC 908660912 QSKLVQLUGCDCBG-QWGHSUKYSA-N 249.354 2.869 30 20 BFED CC(C)[C@@]1(C)C[C@H]1NC(=O)c1ccsc1C#N 909901883 UAQPXOPWRHHLMZ-DGCLKSJQSA-N 248.351 2.784 30 20 BFED Cc1ccc(NN=Cc2ccc(O)c(O)c2)cc1 916250812 XFSRVESYIPHQCM-UHFFFAOYSA-N 242.278 2.852 30 20 BFED C#CC[C@H](N[C@@H]1COC[C@H]1CC)c1ccccc1 925637649 PEXTWVHMVPWWKV-VNQPRFMTSA-N 243.350 2.766 30 20 BFED C=CCNC(=O)C[C@@H](C)Cc1cccc(OC)c1 929168394 JLKUGOASHUSDRS-LBPRGKRZSA-N 247.338 2.566 30 20 BFED CC(C)C[C@H](C#N)NC(=O)CCC1(C)CC1 931574363 KPRZVGKAPBQITF-LLVKDONJSA-N 222.332 2.621 30 20 BFED Cc1ccc(C#N)cc1C(=O)N1C[C@@H](C)C[C@@H]1C 933366948 HKUPRNITUQTKGP-JQWIXIFHSA-N 242.322 2.737 30 20 BFED C=C[C@H](CC)CC(=O)NOC1CCCCC1 935500952 ZDSFKRSRKOXPDN-LLVKDONJSA-N 225.332 2.969 30 20 BFED COc1ccc(C#N)cc1N[C@H]1CC[C@@H](C#N)C1 1116910758 KKHMBKFPOZZQTO-PWSUYJOCSA-N 241.294 2.671 30 20 BFED C=C(C)C(C)(C)c1nnc(C2CCOCC2)o1 1118431838 DLZCCKDSUOZYAO-UHFFFAOYSA-N 236.315 2.817 30 20 BFED C=CCC1(C(=O)NCCC(F)F)CCCC1 1121202496 PJAMJKUFCIEJAY-UHFFFAOYSA-N 231.286 2.894 30 20 BFED CC(C)(C)Cc1nnc(CCCC#N)o1 1257862149 XXZNNFFFVLEXLT-UHFFFAOYSA-N 207.277 2.504 30 20 BFED C[C@@H]1CCCCC1=NNCC1CCOCC1 1318534409 VRKPNMRQNOHFDW-LLVKDONJSA-N 224.348 2.569 30 20 BFED CC1(C)CC[C@H]1NC(=O)CC#Cc1ccccc1 1325432733 UBKMAUMUPKJXOK-CQSZACIVSA-N 241.334 2.733 30 20 BFED CCc1nnc(C[C@H](CC#N)c2ccccc2)o1 1327916090 FZLXBIVGALQGTI-LBPRGKRZSA-N 241.294 2.872 30 20 BFED N#Cc1ccc(CCSC2=NCCS2)cc1 1333243741 AAIRDHYQVZXOOS-UHFFFAOYSA-N 248.376 2.937 30 20 BFED C=C[C@H](CC)CC(=O)Nc1ncc(C)o1 1335297262 GFASPKROVYVZPX-SECBINFHSA-N 208.261 2.524 30 20 BFED C=C(C)CCC(=O)NCCc1ccccc1F 1336839539 NFYPYZZNYWWGTR-UHFFFAOYSA-N 235.302 2.841 30 20 BFED C#Cc1ccc(NC[C@H](OC)[C@H](C)CC)nc1 1339735893 LANWBGADCUQBOU-YPMHNXCESA-N 232.327 2.536 30 20 BFED C=C(CC)C(=O)NCCCOc1ccccc1 1347284771 WRPKLBBVGNCXEJ-UHFFFAOYSA-N 233.311 2.538 30 20 BFED C=C(CC(C)C)C(=O)N1CCOC[C@]1(C)CC 1348202635 HDRAELPZVRDMDD-AWEZNQCLSA-N 239.359 2.616 30 20 BFED C=C(CC(C)C)C(=O)N[C@H]1CC[C@H](SC)C1 1349073359 MZQZXSDVPWRGQI-RYUDHWBXSA-N 241.400 2.989 30 20 BFED Cc1cncc(CSc2cccnc2C#N)c1 1459075573 PPHYDEQKKISUMR-UHFFFAOYSA-N 241.319 2.949 30 20 BFED CCNc1ccccc1CN1CCC[C@@H](C#N)C1 1462573917 RUBKQJNTHVKNBR-ZDUSSCGKSA-N 243.354 2.854 30 20 BFED C#C[C@@H](N[C@@H](C)CC(C)(C)CC(=O)O)C(C)C 1602678374 MELVEGHRHKLBBI-NWDGAFQWSA-N 239.359 2.513 30 20 BFED C=CC[C@]1(C(=O)O)CCN(CCCCC)C1 1776160039 SOESOCWTKHUMIX-ZDUSSCGKSA-N 225.332 2.529 30 20 BFED C[C@@H](CCc1ccco1)Nc1ncccc1C#N 42271107 BYYTXJXLIUNDFK-NSHDSACASA-N 241.294 2.979 30 20 BFED CCN(CCC#N)Cc1ccc(C)cc1 42454463 CROGOVMOIKCLAA-UHFFFAOYSA-N 202.301 2.731 30 20 BFED CC[C@@H](CC#N)NC(=O)c1ccc(C)cc1C 54177996 LPCPUTPOLBOHES-LBPRGKRZSA-N 230.311 2.726 30 20 BFED N#CCN1CCC[C@@H]1CC1CCCCC1 57871697 DKXZUPTVKCYUEZ-CYBMUJFWSA-N 206.333 2.945 30 20 BFED COc1ccc(CCC=O)cc1Br 60710514 XOWPOHYPQGTVNI-UHFFFAOYSA-N 243.100 2.589 30 20 BFED CN(C(=O)C[C@@H]1C=CCC1)c1cccc(C#N)c1 67933837 UPEAHPHRQGGTKM-GFCCVEGCSA-N 240.306 2.877 30 20 BFED Oc1ccccc1/C=N/C[C@@H](O)C1CCCCC1 67952228 BGTURKXMPGPOBR-VGVSSDJJSA-N 247.338 2.752 30 20 BFED CO[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2)C1 70326575 MLDXQPIJYVCFNI-CABCVRRESA-N 244.338 2.605 30 20 BFED CC(C)(C(=O)NCCCCC#N)c1ccccc1 70940605 ALJSSJCBXGDBRK-UHFFFAOYSA-N 244.338 2.774 30 20 BFED CCn1cc(C#N)c(=O)c2cc(Cl)ccc21 72237020 VAGPUZZDDGMSER-UHFFFAOYSA-N 232.670 2.546 30 20 BFED C=CCN(C)Cc1csc([C@H](C)OCC)n1 75887955 MSMZHRVXKNWWDL-JTQLQIEISA-N 240.372 2.858 30 20 BFED N#Cc1c(F)cccc1Sc1ncc[nH]1 78469843 DRAKPYHXSDHWQV-UHFFFAOYSA-N 219.244 2.572 30 20 BFED CC[C@@H](COC)N[C@H](C)c1cccc(C#N)c1 79756906 FBZIXMRXUILGKJ-RISCZKNCSA-N 232.327 2.634 30 20 BFED N#Cc1ccccc1OCC[C@@H]1CCCO1 87248416 CYFGBBVKLKUXSV-LBPRGKRZSA-N 217.268 2.506 30 20 BFED N#CCC1(COc2cccc(F)c2C#N)CC1 88272140 SDHHBSARJNEXAW-UHFFFAOYSA-N 230.242 2.770 30 20 BFED C[C@@H]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)C1 94592636 AUFRHEFFKLWSQL-SNVBAGLBSA-N 245.282 2.703 30 20 BFED COc1ccc(CN2CCC(C)(C)C2)cc1C#N 94802917 VJCMRTGSNPTOBR-UHFFFAOYSA-N 244.338 2.799 30 20 BFED CC[C@@H](CC(=O)N[C@](C)(C#N)CC)C(C)C 104352212 PJJJNOSOMRTBNH-AAEUAGOBSA-N 224.348 2.867 30 20 BFED CCCO[C@H]1CCCN(CCCC#N)CC1 108396386 NSRHIFOHPSYOQH-ZDUSSCGKSA-N 224.348 2.571 30 20 BFED C/C(=C/C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)C1CC1 116800776 CJZJRGPEIWPHKW-RNJQCAHHSA-N 246.354 2.931 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccc(C)cc1C 116863532 GELJSFZLUPWZOO-GFCCVEGCSA-N 217.312 2.998 30 20 BFED C=CCCS(=O)(=O)N(CCCC)[C@@H](C)CC 119645612 PDCHKQPSHMQSEP-LBPRGKRZSA-N 247.404 2.793 30 20 BFED CC#CCCNC(=O)c1cc(Cl)ccc1F 122513521 NYCDLCOTLIGTRY-UHFFFAOYSA-N 239.677 2.622 30 20 BFED Cc1cncc(CNCc2cccc(C#N)c2)c1 122880794 KXQRACAGWAHKNT-UHFFFAOYSA-N 237.306 2.552 30 20 BFED C[C@@H](C#N)NC(=O)c1ccccc1C(C)(C)C 124178517 AZZPHSAVSNIIRG-JTQLQIEISA-N 230.311 2.626 30 20 BFED C#CCN(CC1CC1)C(=O)c1cscc1C 125273542 XIHGEVUECKTORE-UHFFFAOYSA-N 233.336 2.542 30 20 BFED CC#CCNC(=O)/C(C)=C/c1cccc(Cl)c1 126662673 DZEVABMGSYPFBY-PKNBQFBNSA-N 247.725 2.883 30 20 BFED N#CCCN(Cc1c(F)cccc1F)C1CC1 127988256 JBJSFMFUJJZDNH-UHFFFAOYSA-N 236.265 2.843 30 20 BFED C=C[C@H](C)NC(=O)N[C@H](C)c1ccccc1 128627446 PTMSVGFHOICIKD-WDEREUQCSA-N 218.300 2.621 30 20 BFED C#CCOc1ccccc1CNCC(=C)Cl 131664315 QOWXFXFNDJIJGZ-UHFFFAOYSA-N 235.714 2.541 30 20 BFED N#Cc1cc(N[C@H]2CC=CCC2)ccc1[N+](=O)[O-] 131774776 KZUYBJGJBKOPSK-NSHDSACASA-N 243.266 2.987 30 20 BFED Cc1ccc(CNc2ccc(C#N)nc2)s1 131890908 CIFPSSGOQLKZEY-UHFFFAOYSA-N 229.308 2.935 30 20 BFED COc1ccc(N(C)CCCCC#N)c(OC)c1 132139346 OKXJALYXZVQBHQ-UHFFFAOYSA-N 248.326 2.834 30 20 BFED C=CCCOC(=O)c1cc(-c2ccccc2)[nH]n1 132143433 UGILQHLNQFKRTK-UHFFFAOYSA-N 242.278 2.810 30 20 BFED CC[C@](C)(C#N)C(=O)N(C)Cc1ccsc1 136191195 KHVWYUPXJXIFON-GFCCVEGCSA-N 236.340 2.646 30 20 BFED CCn1nccc1/C=C/C(=O)c1ccccc1 152589377 CFYUCPGRTMOXQA-CMDGGOBGSA-N 226.279 2.799 30 20 BFED C=C(C)CNC(=O)N[C@@H]1CCc2cc(F)ccc21 163131595 NGSBBUTYCRYVDH-CYBMUJFWSA-N 248.301 2.688 30 20 BFED C=C(C)COCCN[C@H]1CCC(C)(C)C1 164448893 MSZPQSXTFVGFHO-LBPRGKRZSA-N 211.349 2.747 30 20 BFED C#C[C@@H](C)NC1CCC(C(F)(F)F)CC1 166426276 UECWUIONHNAUPZ-XNWIYYODSA-N 219.250 2.719 30 20 BFED N#CCCNCc1ccc(F)c(C(F)(F)F)c1 166464820 FLBAUZQWUKRLJC-UHFFFAOYSA-N 246.207 2.848 30 20 BFED C#C[C@@H](C)NC(=O)c1c(Cl)cccc1Cl 167035648 NSCVXZIKVIABIL-SSDOTTSWSA-N 242.105 2.745 30 20 BFED C#CCCCOC(=O)c1cc(Cl)c(Cl)[nH]1 170714402 GPUCHOYVYSFUQO-UHFFFAOYSA-N 246.093 2.892 30 20 BFED CC#CCOC(=O)C[C@H](C)c1cccc(F)c1 175448698 SIPOJYZDYNJRDR-NSHDSACASA-N 234.270 2.886 30 20 BFED CC(C)(C#N)c1nc(-c2ccc(F)c(F)c2)no1 177724216 WYEGOJQGYBIGHZ-UHFFFAOYSA-N 249.220 2.816 30 20 BFED C=CCCCC(=O)N1CCOc2cc(F)ccc21 177869245 JNWUVQRPMWCDOV-UHFFFAOYSA-N 249.285 2.907 30 20 BFED CC(C)N(Cc1ccc(C#N)s1)C1CC1 179485336 QFCQYIGHBVIBGV-UHFFFAOYSA-N 220.341 2.993 30 20 BFED C=C(C)CN(C)Cc1cc(OC)c(C)cc1O 182620162 DGELJABPMMWCRK-UHFFFAOYSA-N 235.327 2.717 30 20 BFED CC[C@H](CSc1ccccc1)NC(=O)CC#N 185550745 JRAXVVOXAGKARL-LLVKDONJSA-N 248.351 2.587 30 20 BFED Cc1ccccc1[C@@H](NC(=O)CC#N)C(C)C 186004663 SABMBOQZWHJLHM-AWEZNQCLSA-N 230.311 2.722 30 20 BFED C#C[C@@H](C)NC(=O)c1cc2c(C)c(C)ccc2[nH]1 186121801 SOOSLNKDQYLYNP-SNVBAGLBSA-N 240.306 2.536 30 20 BFED C#C[C@H](C)NC(=O)N(C)[C@H](C)c1ccc(C)cc1 186125615 DWKXXXFAXDSHQU-QWHCGFSZSA-N 244.338 2.719 30 20 BFED CC(C)C(C)(C)CNC(=O)c1cccc(C#N)c1 187638858 VDPMHBFDBIXACN-UHFFFAOYSA-N 244.338 2.970 30 20 BFED C=CC[C@H](C)NC(=O)NCCCCCSC 187985579 LDDIIUPMOSZSKZ-NSHDSACASA-N 244.404 2.784 30 20 BFED C=CCN(CCOC)CCc1ccccc1F 191763441 BICLLFIKNLVQNG-UHFFFAOYSA-N 237.318 2.503 30 20 BFED Cc1ncccc1N[C@H]1CCC[C@H](C#N)C1 193102255 BKCSUHOCYOSZCF-RYUDHWBXSA-N 215.300 2.884 30 20 BFED CC[C@@H](C)N/C(N)=N/Cc1ccc(Cl)s1 194689163 ZLSXECUSYQTFCH-SSDOTTSWSA-N 245.779 2.604 30 20 BFED C[C@@H]1CCC[C@@H]1NCc1cccc(C#N)c1F 221939017 YOUKTGVWNOSTFE-MFKMUULPSA-N 232.302 2.976 30 20 BFED CCOC[C@@H](C)Nc1cc(F)cc(C#N)c1 227614288 DKXHLHAIHLORKU-SECBINFHSA-N 222.263 2.534 30 20 BFED C#C[C@@H](CC)N[C@H](C)Cc1ccc(F)cc1 229529661 XHPOWUYOAXKAIQ-RISCZKNCSA-N 219.303 2.758 30 20 BFED C#C[C@@H](CCC)NC(=O)c1ccc(OCC)cc1 233295352 HQBTUGYIWLXOFX-ZDUSSCGKSA-N 245.322 2.617 30 20 BFED CCOC[C@H](NCCCC(C)(C)C#N)C(C)C 233771865 GUJLRSONCAFIOE-ZDUSSCGKSA-N 240.391 2.967 30 20 BFED CCCON=Cc1ccc(OCC)cc1 255905123 IQICLSNXDMDVHG-UHFFFAOYSA-N 207.273 2.846 30 20 BFED CN(CCC(C)(C)C)C(=O)C1(C#N)CCC1 258749175 KJSZYTBOWPPHRD-UHFFFAOYSA-N 222.332 2.575 30 20 BFED CCCC/N=C(\N)Nc1ccc2c(c1)CCC2 264107298 OACODUSPGHSVFC-UHFFFAOYSA-N 231.343 2.702 30 20 BFED N#Cc1nc(N[C@H]2CCSC2)ccc1Cl 266221309 HWZFKXPYJKCXBE-ZETCQYMHSA-N 239.731 2.524 30 20 BFED C#CC[C@H](N[C@H](CC)COC)c1ccccc1 271601926 ZPWGQBUISLGXFK-CABCVRRESA-N 231.339 2.766 30 20 BFED C=CCOCCN[C@@H](C)c1ccccc1OC 272508147 FPFAKKZQSORGKT-LBPRGKRZSA-N 235.327 2.548 30 20 BFED CC#CCCCC(=O)Nc1cccc(Cl)n1 274384517 ZZRLOFJSXSWYPJ-UHFFFAOYSA-N 236.702 2.867 30 20 BFED C=CCCCCNC(=O)N1CCC=C(F)C1 274576620 FOSJNHWKWLYLHK-UHFFFAOYSA-N 226.295 2.611 30 20 BFED C=CCCN(C)c1ccc(F)cc1C#N 276375324 XYCSARYPVNLHMM-UHFFFAOYSA-N 204.248 2.710 30 20 BFED N#CCN(CCSCc1ccccc1)C1CC1 279439412 LKXSSKFCHITSOT-UHFFFAOYSA-N 246.379 2.908 30 20 BFED C=CC[C@@H](CC)NC(=O)Cc1cccc(F)c1 281171561 XTOOXWLFZZUIHE-CYBMUJFWSA-N 235.302 2.839 30 20 BFED C=CC[C@@H](CC)NC(=O)c1cccs1 281404319 PCLPXWXSYRUZPB-SECBINFHSA-N 209.314 2.833 30 20 BFED C=CCCSCc1ncnn1C(C)(C)C 282610592 NMJIYMXUPOZGRJ-UHFFFAOYSA-N 225.361 2.842 30 20 BFED CC1(C)CC[C@H]1NC(=O)c1cccc(CC#N)c1 287336576 VRKRKLMXFDNMJM-CYBMUJFWSA-N 242.322 2.671 30 20 BFED C=CCC(C)(C)CNc1ccnc2c1cnn2C 293005141 JKLVIOCIXVUVNK-UHFFFAOYSA-N 244.342 2.983 30 20 BFED C=CCOCCN[C@@H](c1ccccc1)C(F)F 293542458 KIHWITFVMKGFJL-LBPRGKRZSA-N 241.281 2.785 30 20 BFED CN(Cc1cccs1)[C@H]1CC[C@H](C#N)C1 293661808 YSOUKZKKMQPZLL-QWRGUYRKSA-N 220.341 2.872 30 20 BFED C[C@H](CCCO)CN[C@H](C)c1cccc(C#N)c1 296500239 PATFLCGDILREGB-CHWSQXEVSA-N 246.354 2.617 30 20 BFED Cc1nc(C#N)cc(NCCC2=CCCCC2)n1 308272031 SNWFPOBMCGMSDQ-UHFFFAOYSA-N 242.326 2.959 30 20 BFED C=C(Cl)CN[C@@H]1C[C@H](OC(C)C)C1(C)C 308886352 VXTILDHYJCOBLJ-MNOVXSKESA-N 231.767 2.921 30 20 BFED C=C[C@@H](COC)N[C@@H]1CCCC(C)(C)C1 308902281 BOKJDIWGNMTGRM-NWDGAFQWSA-N 211.349 2.746 30 20 BFED CC(C)[C@H]1C[C@H](NCCCCC#N)CS1 309077922 MVMHFARVHYPABU-NWDGAFQWSA-N 226.389 2.800 30 20 BFED C[C@@H]1[C@H](NCCC#N)C[C@H]1c1ccccc1 309788589 OPQAPJORAIBCQS-IACUBPJLSA-N 214.312 2.682 30 20 BFED CC(C)(C)CCCNc1ncncc1C#N 313462215 PZRSLGKUEDWHRF-UHFFFAOYSA-N 218.304 2.586 30 20 BFED N#C[C@H]1CCC[C@H](Nc2cccc3c2OCO3)C1 333290838 ALNQLBCJTHPDLO-QWRGUYRKSA-N 244.294 2.910 30 20 BFED C=C[C@H]1CCCCN1C(=O)c1ccccc1 335389426 OWTUWUNMBPKFOC-ZDUSSCGKSA-N 215.296 2.867 30 20 BFED Cc1cc2cc[nH]c2cc1NC(=O)C(C)(C)C#N 336177962 IUFAWUNBVKAIGR-UHFFFAOYSA-N 241.294 2.965 30 20 BFED C=CCC(C)(C)CN[C@H](C)c1cn[nH]c1 336654695 HWMAJTPFWFGTDW-SNVBAGLBSA-N 207.321 2.663 30 20 BFED C=CCCN(C)CCc1scnc1C 336684301 JSFWIDWSNIWDFH-UHFFFAOYSA-N 210.346 2.502 30 20 BFED C=CCN(C(=O)[C@@H]1CCCC(F)(F)C1)C1CC1 337123933 GUULARRGSBGSSE-SNVBAGLBSA-N 243.297 2.989 30 20 BFED C[C@H]1CCC[C@H]1NCc1ccc(F)cc1C#N 337453888 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239.359 2.522 30 20 BFED C=CCCCN1CCCC[C@@H](COC)C1 372096683 UBOWXOWYGNAEPZ-CYBMUJFWSA-N 211.349 2.701 30 20 BFED C=C[C@H](COC)N[C@H](C)C1CCCCC1 380028083 ZJIXDVODBAQPKH-DGCLKSJQSA-N 211.349 2.746 30 20 BFED C[C@@H]1CCCC[C@@H]1CNCC1(C#N)CC1 380275388 XMPRWALACIUGMR-VXGBXAGGSA-N 206.333 2.706 30 20 BFED C#CCN(CC1CC1)C(=O)/C=C\c1cccs1 382629269 CYDSOAVWOZIEMZ-FPLPWBNLSA-N 245.347 2.633 30 20 BFED C=CC(C)(C)CNCc1cc(C#N)cs1 385463673 LJGZWZIWLVAZLC-UHFFFAOYSA-N 220.341 2.922 30 20 BFED C[C@H](C#N)CNCc1ccc2occc2c1 390223593 AFTBVHYWOQKZCR-SNVBAGLBSA-N 214.268 2.682 30 20 BFED CC(C)[C@@H](NCCCC#N)c1ccccn1 390286757 XDHSBQWLQJQROH-CYBMUJFWSA-N 217.316 2.672 30 20 BFED N#Cc1ccc(Oc2cccc3c2OCC3)nc1 401981835 SOWDMQJAHYIEOR-UHFFFAOYSA-N 238.246 2.680 30 20 BFED C=CCc1ccccc1OCCC[C@@H](C)O 402480707 PFSKDLWHNWPZPO-GFCCVEGCSA-N 220.312 2.955 30 20 BFED CC[C@H](CO)N(C)CCC1(C#N)CCCCC1 411770898 DLQMEYWLTHNLLZ-CYBMUJFWSA-N 238.375 2.553 30 20 BFED C[C@@H]1CN(c2c(C#N)cccc2C#N)[C@@H](C)[C@H]1C 419002799 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20 BFED C=C(C)CNC(=O)/C=C\CCc1ccccc1 867532335 KTIVLHVTZIQDOE-XFFZJAGNSA-N 229.323 2.868 30 20 BFED C#CC(=O)Nc1cccc(NC2CCCC2)c1 869365120 KKDWPMUWINZOAH-UHFFFAOYSA-N 228.295 2.613 30 20 BFED O=[N+]([O-])c1ccccc1NN=C1CC[C@@H]2C[C@H]12 872325276 KFORTTDWLYERIR-BDAKNGLRSA-N 231.255 2.793 30 20 BFED CC(CCc1n[nH]c2ccccc12)=NN1CCC1 872396553 FBZJTMQKXYXQAQ-UHFFFAOYSA-N 242.326 2.577 30 20 BFED C=CCN(CC(=O)c1ccccc1F)C(C)C 877977241 VMRNBIUDEFFFDM-UHFFFAOYSA-N 235.302 2.905 30 20 BFED C=CC(C)(C)CC(=O)NCc1cncc(C)c1 879319233 BCCYEYYQNHYPOI-UHFFFAOYSA-N 232.327 2.609 30 20 BFED N#C[C@H](c1ccccc1)N1CCC[C@H](CF)C1 880238098 ONHQUFKAQAINLL-TZMCWYRMSA-N 232.302 2.933 30 20 BFED C=C(CC)COC(=O)[C@@H]1CCOC2(CCC2)C1 885667637 LPUSDDOVBIJQFG-GFCCVEGCSA-N 238.327 2.845 30 20 BFED C=C(CC)CN1CCN(c2ccncc2)C[C@H]1C 887134942 SUDPUTHOPANYEZ-CQSZACIVSA-N 245.370 2.558 30 20 BFED Cc1cc(C#N)nc(N(C)[C@@H](C)C(C)C)c1 892010226 RTCDZSCTUYNAHY-NSHDSACASA-N 217.316 2.742 30 20 BFED 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247.338 2.799 30 20 BFED CCC[C@@H](CC)NC(=O)[C@](C)(C#N)CC 136234526 FVKCDHJYOMAOJS-PWSUYJOCSA-N 210.321 2.621 30 20 BFED C=CCCCCCN(C)CC(=O)c1cccn1C 150898088 CKUMTQFHLYCWPW-UHFFFAOYSA-N 248.370 2.886 30 20 BFED N#CCCCCN1CCc2c(F)cccc2C1 152888426 MTMBPUZMJMSUTH-UHFFFAOYSA-N 232.302 2.878 30 20 BFED C=CCCCOC(=O)[C@H]1OCCc2ccccc21 153887909 AJJFEKWBWLIPJL-AWEZNQCLSA-N 246.306 2.810 30 20 BFED C=C[C@H](C)NC(=O)c1ccc(CSC)cc1 153993114 VKLHXDIYWSZYPS-JTQLQIEISA-N 235.352 2.854 30 20 BFED CC(C)(C)[C@H]1CCN(c2cc(C#N)ccn2)C1 159721045 PHPNVQCPNFTJSR-LBPRGKRZSA-N 229.327 2.826 30 20 BFED C#CCCCNc1cc(F)c(F)c(F)c1 161058306 AJLFGUDILFVDIT-UHFFFAOYSA-N 213.202 2.929 30 20 BFED CCC[C@H](C)C(=O)Nc1nn(C(C)C)cc1C#N 161139381 KRVAPGRUAFDVRP-JTQLQIEISA-N 248.330 2.710 30 20 BFED CC(C)(C#N)N1CCOC2(CCCCCC2)C1 161592185 HYPSSLYICLUWAQ-UHFFFAOYSA-N 236.359 2.714 30 20 BFED C[C@@H]1CC[C@@H](NCC(C)(C)C#N)[C@H](C)C1 164668950 MKTOSRDKWCCKTA-IJLUTSLNSA-N 208.349 2.950 30 20 BFED C=C[C@H](C)NCC1=Cc2ccccc2OC1 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2.908 30 20 BFED CC(C)(C#N)CCOc1ccc2c(c1)OCO2 57713754 UFRFWVYUTXKEEO-UHFFFAOYSA-N 233.267 2.734 30 20 BFED CC(C)c1nc(CN(C)C[C@H](C)C#N)cs1 66471047 YKVINRXNWNQTDK-SNVBAGLBSA-N 237.372 2.858 30 20 BFED C#CCCNc1cc(OC)c(Cl)cc1OC 70159592 UZDNJWARUNGXHJ-UHFFFAOYSA-N 239.702 2.792 30 20 BFED CC1(C)CCCN(C(=O)c2cccc(C#N)c2)C1 70260727 HCBFCONJEUYKBY-UHFFFAOYSA-N 242.322 2.820 30 20 BFED CC(C)(C#N)CCSC1=NCCS1 78927322 VLAXDAXFNUSYED-UHFFFAOYSA-N 214.359 2.762 30 20 BFED Cc1ccc([N+](=O)[O-])c(N(C)[C@@H](C)CC#N)c1 84726145 TYYOOCKTIBFPHG-JTQLQIEISA-N 233.271 2.642 30 20 BFED C=CCNc1cc(C[S@@](C)=O)ccc1Cl 89116202 IQKCFJFFSHXBPX-HNNXBMFYSA-N 243.759 2.816 30 20 BFED CC(C)CC1(CNC(=O)[C@@H](C)C#N)CCCC1 94820104 HUOCTDFMONQYAP-LBPRGKRZSA-N 236.359 2.869 30 20 BFED C=CCOC(=O)COc1ccc(Cl)cc1C 98069980 HUYMNBAJFAOJTI-UHFFFAOYSA-N 240.686 2.756 30 20 BFED C=CCNC(=O)CN(c1ccc(C)cc1)C(C)C 101550967 MDEOBNXSUCKGKN-UHFFFAOYSA-N 246.354 2.512 30 20 BFED C=CCSCCOc1cccc([N+](=O)[O-])c1 114756549 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C=C(C)CN1CCS[C@H]2CCCC[C@H]21 246116180 KOJOZUJPWUDURD-NEPJUHHUSA-N 211.374 2.923 30 20 BFED C=C(C)CN(CC)C(=O)c1cccnc1OCC 248238168 NHNSVRRVLVXWBE-UHFFFAOYSA-N 248.326 2.519 30 20 BFED C=CCC[C@H](C)NCC(CC)(CC)C(=O)O 263105005 XMFIAWRISDBKBW-NSHDSACASA-N 227.348 2.822 30 20 BFED C=C1CCN(C(=O)[C@H](OC)c2ccccc2)CC1 264463336 HGXFWGUOROJMIT-CQSZACIVSA-N 245.322 2.553 30 20 BFED C=CCCN1CCCc2c(NC(C)=O)cccc21 265851991 YVVPTESBUJWTQH-UHFFFAOYSA-N 244.338 2.974 30 20 BFED C=CCN(CC=C)C(=O)c1c(C)noc1C(C)C 267510754 QAIJHZTYDSQREC-UHFFFAOYSA-N 248.326 2.921 30 20 BFED C#CCCN(CCCc1ccccc1)CCOC 270615366 NWXUCMSPTJZTMH-UHFFFAOYSA-N 245.366 2.591 30 20 BFED COc1cc(C#N)ccc1CN1C[C@@H](C)[C@H](C)C1 271019854 IWFAKMDXLBVQPJ-VXGBXAGGSA-N 244.338 2.655 30 20 BFED C=CCCc1nc(-c2ccc(OCC)nc2)no1 273831670 YFXBFABEPMQENI-UHFFFAOYSA-N 245.282 2.649 30 20 BFED C=CCCN(C)Cc1c(Cl)nc2ccccn12 276121496 JSLNREVMZHXPKS-UHFFFAOYSA-N 249.745 2.996 30 20 BFED CC#CC(=O)N[C@@H](CC)c1cc(F)ccc1F 277681396 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228.295 2.505 30 20 BFED C#C[C@H](C)N[C@@H]1CS[C@H](C(C)(C)C)C1 307653133 UAUKEFIYVDYCHE-DCAQKATOSA-N 211.374 2.518 30 20 BFED CCc1nc(C#N)cc(Oc2ccc(F)cc2)n1 308281337 UXSCGOKKBONVGR-UHFFFAOYSA-N 243.241 2.842 30 20 BFED C#CCCN[C@H](C(C)(C)C)C(F)(F)F 308522744 POGUWOPZNYTFST-MRVPVSSYSA-N 207.239 2.576 30 20 BFED CC(C)=CCCNc1cc(C#N)ccn1 309074778 IYFRIVUWUKNNAE-UHFFFAOYSA-N 201.273 2.721 30 20 BFED C=CCCCCN[C@@H](C)C1CCOCC1 309105593 HSJOTDBCNUGDRP-LBPRGKRZSA-N 211.349 2.747 30 20 BFED C=CCCCCN[C@H](C)[C@]1(C)CCCO1 309162118 ZLVJLWPRHCIEEB-OLZOCXBDSA-N 211.349 2.890 30 20 BFED C[C@H](CNC[C@@H](C)C#N)c1ccc(F)cc1 309554905 JJNJATCWUDQTCE-WDEREUQCSA-N 220.291 2.678 30 20 BFED C=C[C@H](COC)NC[C@@H]1CCCC(C)(C)C1 309569226 NDVOTNHPGNNEKH-CHWSQXEVSA-N 225.376 2.993 30 20 BFED C=CCC[C@H](NCCOCC1CC1)C1CC1 309712856 XSGMKDJVNQKSOD-AWEZNQCLSA-N 223.360 2.747 30 20 BFED C=C(CC)CNc1nccc(C)c1[N+](=O)[O-] 313485810 BFHFEQBBUYFLFT-UHFFFAOYSA-N 221.260 2.676 30 20 BFED C=CCCCN(C)C[C@@H](C)C(=O)OC(C)(C)C 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BFED C#CCNc1cccc(C)c1Br 131307986 UQLNRYVFXRZQOF-UHFFFAOYSA-N 224.101 2.803 30 20 BFED N#Cc1cc2c(nc1NCc1ccoc1)CCC2 132299062 ZSNULBSDYIRBKI-UHFFFAOYSA-N 239.278 2.647 30 20 BFED COc1ccc(C#N)cc1CN(C)CCC1CC1 135305013 ZHBRAPRQWHTMTQ-UHFFFAOYSA-N 244.338 2.799 30 20 BFED COC(C)(C)CN[C@@H](C)c1ccc(C#N)cc1 135373622 RKCNOONXAQHHIH-NSHDSACASA-N 232.327 2.634 30 20 BFED CCSCC[C@@H](C)Nc1ccnc(C#N)c1 135614445 JWEFYAMQYOLJDC-SNVBAGLBSA-N 235.356 2.897 30 20 BFED N#Cc1cc(F)ccc1CN1C[C@@H]2CCC[C@H]2C1 152696124 BSMBBARIEJIHCG-RYUDHWBXSA-N 244.313 2.929 30 20 BFED Cc1ccc([C@H]2CCCCCN2C(=O)CC#N)o1 153867396 KOUNEKNTWNFGSQ-GFCCVEGCSA-N 246.310 2.945 30 20 BFED CC#CCNC(=O)c1cccc2c(C)c(C)[nH]c12 154492362 BWKZEYRCWOFHBZ-UHFFFAOYSA-N 240.306 2.538 30 20 BFED C#Cc1cccc(NC(=O)NC[C@@H](C)SC)c1 157006535 GBKIPCOPZHBKOV-SNVBAGLBSA-N 248.351 2.541 30 20 BFED C=CCCOc1ccc(-n2cccn2)cc1 157066698 OJCJFLRHDOJFQT-UHFFFAOYSA-N 214.268 2.827 30 20 BFED N#CC1(C(=O)N2CCC3(CCC3)C2)CCCCC1 158221077 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CCc1c[nH]c(S[C@@H](C)CCC#N)n1 188325936 CHGKUKSITOUKEP-QMMMGPOBSA-N 209.318 2.756 30 20 BFED C#CCCCC(=O)NC(C#N)(CCC)CCC 192381552 DZEAMNWMLDXYKM-UHFFFAOYSA-N 234.343 2.769 30 20 BFED C/C=C/C=C/C(=O)N(CC#N)c1ccccc1 194661304 FIRHGIYPCFQBNS-XPQLPGEHSA-N 226.279 2.675 30 20 BFED CCCCCCCC(=O)N1CC[C@@H](C)[C@@H]1CO 226341810 DQDKTOSWEZVFFT-OLZOCXBDSA-N 241.375 2.576 30 20 BFED C#C[C@H](CC)NC(=O)c1cccc(Cl)c1F 234032894 NIMMTCQRYWLPGE-MRVPVSSYSA-N 239.677 2.621 30 20 BFED C[C@H]1C[C@H](Nc2cccc(Cl)c2C#N)CCN1 235705751 DZIJPBLGZMZVST-VHSXEESVSA-N 249.745 2.764 30 20 BFED C=CCC[C@H](O)CN1[C@H](C)C[C@@H]2CCCC[C@H]21 247375643 KVZBPXXHUHLTRS-CBBWQLFWSA-N 237.387 2.967 30 20 BFED C=CCN(C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 249514262 PNBTZDGQWOLDNK-XGFWRYKXSA-N 248.370 2.639 30 20 BFED C[C@H](C#N)CN(C)C[C@@H]1C[C@H]2CC[C@H]1C2 251124501 RYPXJMKIVSEMFP-VOAKCMCISA-N 206.333 2.514 30 20 BFED Oc1ccccc1/C=N\CCOc1ccccc1 255544232 YQLOGVPSMIXBMQ-VBKFSLOCSA-N 241.290 2.890 30 20 BFED Cc1ccc(CN(C)CC(C)(C)C#N)cc1 258963482 TXIMGZSZIOGJQK-UHFFFAOYSA-N 216.328 2.977 30 20 BFED C/N=C(/NCC1CC1)N[C@@H]1C[C@H]1C1CCCCC1 262353919 FOBSVJMHNCUASV-UONOGXRCSA-N 249.402 2.530 30 20 BFED CC1(C)CCC[C@H]1C/N=C(/N)Nc1ccccn1 263039362 CEJSYGWHCYKTFL-NSHDSACASA-N 246.358 2.635 30 20 BFED C=CCN(CCOc1ccccc1C#N)C1CC1 271485961 TWTGCQNABKZAMO-UHFFFAOYSA-N 242.322 2.587 30 20 BFED C=CCCCCNC(=O)/C=C/c1cccnc1 274435263 CJOAYPDQPJEIMT-CMDGGOBGSA-N 230.311 2.567 30 20 BFED C=CCCN(C)C(=O)Nc1cccnc1OCC 276345962 SWNFJOFKTBAHIP-UHFFFAOYSA-N 249.314 2.520 30 20 BFED C=CC[C@@H](CC)NC(=O)C1(C#N)CCCC1 281006869 DVDRUFMYUYXTIK-LLVKDONJSA-N 220.316 2.541 30 20 BFED CC(C)SCCNc1ccnc(C#N)c1 286376361 KFFDWPYYKMLEEH-UHFFFAOYSA-N 221.329 2.507 30 20 BFED C=CCC[C@@H](C)NC[C@H](O)Cc1ccccc1 287035128 LZPJDLOPRPKMQL-UKRRQHHQSA-N 233.355 2.534 30 20 BFED C=CC[C@@H](C)NC(=O)NCC(=C)c1ccccc1 287954224 HEJUAYFRENNALJ-CYBMUJFWSA-N 244.338 2.964 30 20 BFED C#CCC(C)(C)C(=O)N1CCCc2occc2C1 289547932 CWDDXVXANQNNKF-UHFFFAOYSA-N 245.322 2.604 30 20 BFED C#Cc1ccccc1CC(=O)N[C@H](CC)CCC 289740486 KNVUQLVPBWPDPY-OAHLLOKOSA-N 243.350 2.905 30 20 BFED CC/C(C)=C/C(=O)NCc1ccc(C#N)cc1 294490249 USGFSERZLDVYHG-DHZHZOJOSA-N 228.295 2.531 30 20 BFED C#CCCOc1ccc(C(=O)NC(C)(C)C)cc1 294546619 SWCUBSOYHPNDCX-UHFFFAOYSA-N 245.322 2.617 30 20 BFED CC#CCN(C)C(=O)c1sccc1SC 294667209 VCCOANQHJWRMKV-UHFFFAOYSA-N 239.365 2.565 30 20 BFED C=CCCCCCN1CC[C@@H](O)C(C)(C)C1 303963588 IVFOSSUUALWULX-CYBMUJFWSA-N 225.376 2.826 30 20 BFED C#C[C@](C)(CC)NCCOCc1ccccc1 307078175 QCYXFOPGJGNHSV-OAHLLOKOSA-N 231.339 2.595 30 20 BFED N#CCCNc1c(Cl)cccc1C#N 307081264 OWHSSSPGASITCU-UHFFFAOYSA-N 205.648 2.537 30 20 BFED C=C[C@@](C)(CC)C(=O)OC/C=C\Cl 308251375 BFDGNIJVJNLQRI-GFVADAIESA-N 202.681 2.884 30 20 BFED CC[C@@H](C)NN=C[C@]1(C)CCCS1 308439488 YHTSXTFCXOFEQO-ZJUUUORDSA-N 200.351 2.646 30 20 BFED C#CCCCN[C@@](C)(CC)C(F)(F)F 308512059 LHGPGFHGLIZZRT-VIFPVBQESA-N 207.239 2.720 30 20 BFED C=C(Cl)CN[C@H]1CCC[C@H]1CCOC 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30 20 BFED C=CCN(C(=O)Cc1ccc(C)cc1)C(C)C 915153257 ILJXMXQYBXXWPM-UHFFFAOYSA-N 231.339 2.961 30 20 BFED CC(C)=CCOC(=O)c1ccccc1CC#N 916610357 OQIAGSJGZFLKGW-UHFFFAOYSA-N 229.279 2.876 30 20 BFED O=C(CCCc1ccc(Cl)c(Cl)c1)NO 917610432 OWPJLZLMTRRSJV-UHFFFAOYSA-N 248.109 2.822 30 20 BFED C=C(C)CNc1cc(C(=O)NCC)ccc1C 917817604 ZTUYAOXZYXZXTO-UHFFFAOYSA-N 232.327 2.733 30 20 BFED C=CCOCCN1CCSC[C@H]1C(C)(C)C 931592266 IYWNCUJDASCSLU-LBPRGKRZSA-N 243.416 2.653 30 20 BFED CN(c1cccc(CC#N)n1)C1CCCCC1 1116290722 PBBNOANAWDKABE-UHFFFAOYSA-N 229.327 2.917 30 20 BFED C=C[C@H](COC)N[C@H](C)c1ccc(OCC)cc1 1116643724 TZDUMYLZCQHROS-TZMCWYRMSA-N 249.354 2.937 30 20 BFED C=C(Cl)COC(=O)C1(C(C)(F)F)CC1 1120293950 IAIDEZZTCRHFOX-UHFFFAOYSA-N 224.634 2.718 30 20 BFED C=C[C@H](C(=O)N1CC[C@@H]2C[C@@H]2C1)c1ccccc1 1123834109 XOQAGFBYUAFHAS-KFWWJZLASA-N 241.334 2.825 30 20 BFED C/C=C(\CC)C(=O)N[C@H](C#N)C1CCCC1 1262108044 FQNLJLUJWJNNTJ-QNDISFKXSA-N 220.316 2.541 30 20 BFED CCCCCC(C)=NNc1ccn(C)n1 1321825655 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30 20 BFED C#CC(C)(C)N(C)Cc1ccccc1F 285971483 DTFUXWUWELTUMP-UHFFFAOYSA-N 205.276 2.669 30 20 BFED C=C[C@H](CO)N[C@@H]1CC[C@@H](C)c2ccccc21 289733406 KEDCUWMTGNAAFS-LALPHHSUSA-N 231.339 2.762 30 20 BFED C#Cc1ccc(CNCC(C)(C)CCCO)cc1 290207951 YFLFRYVJTSPPTF-UHFFFAOYSA-N 245.366 2.556 30 20 BFED C#C[C@@H](C)NC(=O)CCCc1ccccc1Cl 290791629 RVYZUAJGHGEPQW-LLVKDONJSA-N 249.741 2.801 30 20 BFED N#Cc1ccc(SC[C@@H]2CCC[C@H](O)C2)nc1 291596141 GQNWHYYOMAIZRO-PWSUYJOCSA-N 248.351 2.596 30 20 BFED C=CCC(C)(C)c1nc(Cc2ccon2)no1 291984749 VVGBVHHETMRJIB-UHFFFAOYSA-N 233.271 2.502 30 20 BFED C=CCC(C)(C)C(=O)N[C@H](C)c1cccnc1 292229651 NDUMHKGXTMJMIJ-LLVKDONJSA-N 232.327 2.861 30 20 BFED C#Cc1ccc(CNCC2CC(F)(F)C2)cc1 292784239 LVXADAJTEUKFLA-UHFFFAOYSA-N 235.277 2.803 30 20 BFED CC(C)(C)c1ccnc(N2CCC(C#N)CC2)n1 292792016 NMWWURNQXAYTRN-UHFFFAOYSA-N 244.342 2.514 30 20 BFED C=CCCc1noc(Cc2ccc(C)c(O)c2)n1 297428674 VCHRRDBPGODHJN-UHFFFAOYSA-N 244.294 2.793 30 20 BFED CC(C)(C)[C@H](NCC#N)c1ccccc1 298768202 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HNOQUAPRRHESFZ-UHFFFAOYSA-N 237.306 2.898 30 20 BFED C=CCCCN1CCCC[C@H]1[C@H](O)CC 304220909 ITMDWRRZQLSXFX-QWHCGFSZSA-N 211.349 2.578 30 20 BFED C=CC1CCN(Cc2ccc(CO)cc2)CC1 305803592 FMJXEEIYIXVCJV-UHFFFAOYSA-N 231.339 2.577 30 20 BFED C=C(CC)Cn1c(Br)cccc1=O 306840954 AXKCSIAHDIJTGC-UHFFFAOYSA-N 242.116 2.577 30 20 BFED C=C(Cl)CNC(=O)[C@H](CC)CC(C)C 308026034 WOKHMGHLCAVMKS-SNVBAGLBSA-N 217.740 2.927 30 20 BFED Cc1cc(C#N)cc(N[C@H]2CCO[C@@H](C)C2)c1 308112291 ZEBJVFYIQCHVEJ-AAEUAGOBSA-N 230.311 2.846 30 20 BFED CC#CCCNC/C=C/c1ccc(F)cc1 309533285 CFYYFBCWCNOBIT-AATRIKPKSA-N 217.287 2.842 30 20 BFED C[C@@H](C#N)CNC[C@H](C)c1ccc(F)cc1 309554904 JJNJATCWUDQTCE-QWRGUYRKSA-N 220.291 2.678 30 20 BFED Cc1cc(C)nc(N=C(O)[C@@H]2C[C@@H]2C2CC2)n1 329630995 RFOTUKSTNDUZGH-GHMZBOCLSA-N 231.299 2.728 30 20 BFED CC[C@@H](CCO)/N=C(/O)c1cc[nH]c1C(C)C 330609046 LRRPAFVIJQKQMO-JTQLQIEISA-N 238.331 2.604 30 20 BFED CCC/N=C(/O)Nc1cnn([C@H](C)CC)c1C 331160757 WXFHOCVZRIYORV-SECBINFHSA-N 238.335 2.898 30 20 BFED CC(C)c1ccc(C(=O)N[C@@H](C#N)C2CC2)s1 331877926 KQCHVYGEOYKFDL-JTQLQIEISA-N 248.351 2.903 30 20 BFED Cc1nn(C[C@@H]2CCCCC2(F)F)cc1C#N 334950934 NYGPJBXQTFYTNF-NSHDSACASA-N 239.269 2.889 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@H]1CC=CCC1 335222869 SRRMFBRMYWKROX-NSHDSACASA-N 207.317 2.814 30 20 BFED CC1(C)CCCN(C(=O)CC2CCC2)[C@H]1C#N 335336573 ITKKJFHORFLTCI-LBPRGKRZSA-N 234.343 2.717 30 20 BFED CC[C@@](C)(C#N)C(=O)N(C)C1CC(C)(C)C1 335657394 RKTFOQYQXNCTGD-ZDUSSCGKSA-N 222.332 2.573 30 20 BFED C[C@H](C(=O)Nc1ccc(C#N)cc1)C(F)(F)F 335835527 AWHBEQGIPSXDLQ-SSDOTTSWSA-N 242.200 2.695 30 20 BFED CN(CC1CCC1)C(=O)[C@@]1(C#N)CC12CCCC2 336240163 UOZCUTBWURRNRJ-HNNXBMFYSA-N 246.354 2.719 30 20 BFED N#Cc1c(F)cccc1CSc1ncc[nH]1 336419399 BHXUAJBXYLSLCD-UHFFFAOYSA-N 233.271 2.713 30 20 BFED CC(C)(O)CCNc1cccc(Cl)c1C#N 336680845 XTFXGOKOGCVORD-UHFFFAOYSA-N 238.718 2.785 30 20 BFED CC1(C)CCC[C@@H]1N[C@@H]1CC[C@H](C#N)C1 336772245 XYJGIYWWWSYOJP-TUAOUCFPSA-N 206.333 2.847 30 20 BFED CCCc1csc(CNCCCCC#N)n1 336778712 MCBIKUILTIVYGB-UHFFFAOYSA-N 237.372 2.879 30 20 BFED C=CCCCCCOc1cc[nH]c1C(=O)OC 340600935 OVTJIBSMBNLCPI-UHFFFAOYSA-N 237.299 2.927 30 20 BFED N#Cc1c(F)cccc1N1CCC(F)(C#N)CC1 343241529 YQYQHBGMSKVUKF-UHFFFAOYSA-N 247.248 2.529 30 20 BFED N#CCCCNC(=O)Nc1ccc2c(c1)CCC2 344886279 UDZLCQUVDSCPND-UHFFFAOYSA-N 243.310 2.601 30 20 BFED C=C(C)CN(C)C(=O)c1ccn(C)c1C1CCC1 345724901 ASVWGMAVDFZPAV-UHFFFAOYSA-N 246.354 2.941 30 20 BFED CC[C@]1(C)C[C@H]1C(=O)NCC(C)(C)CCC#N 345883928 KZJKJNXTIYFRKD-SMDDNHRTSA-N 236.359 2.869 30 20 BFED C=C[C@](C)(O)CC(=O)NC(C)(C)CC(C)(C)C 346203344 VGHGHKQKKKRCSP-AWEZNQCLSA-N 241.375 2.645 30 20 BFED Cc1ccc(-c2noc(C(C)(C)C#N)n2)nc1C 351235655 OZOWLINMDMGSOQ-UHFFFAOYSA-N 242.282 2.550 30 20 BFED C=C(C)C[C@H](C)C(=O)N[C@H]1CC[C@H](C)C1 353417578 UIWMDEHXOHOCSR-SRVKXCTJSA-N 209.333 2.894 30 20 BFED C=C(C)COCCN[C@H](C)c1cc(C)ccn1 353626772 YQQVDLOWDTXCIE-CYBMUJFWSA-N 234.343 2.633 30 20 BFED CC(C)C[C@H](C)CC(=O)NCC(C)(C)C#N 359651003 PGVDKYNRNDKSKP-NSHDSACASA-N 224.348 2.725 30 20 BFED CC#CCCNC/C=C/c1ccccc1[N+](=O)[O-] 360969523 SKSRCUZMFQBFNE-VQHVLOKHSA-N 244.294 2.611 30 20 BFED C=CCN(CCOC)Cc1ccc2c(c1)CCC2 361635525 FJTQZKBZQKSBGU-UHFFFAOYSA-N 245.366 2.810 30 20 BFED Cc1ccnc(N2CCC[C@@H]2C2CC2)c1C#N 374596963 SQYHPRVCFRWMNR-CYBMUJFWSA-N 227.311 2.641 30 20 BFED C#CC[C@H](NC[C@@H]1C[C@@H]1C)c1ccccc1 381033951 AXPAYHWCOIRJFO-QEJZJMRPSA-N 213.324 2.997 30 20 BFED C#C[C@@H](C)N[C@H](CC)Cc1cccs1 388749318 NSGVNSUTAKRYBJ-GHMZBOCLSA-N 207.342 2.681 30 20 BFED C=CC(C)(C)CN[C@@H](C)c1ccccn1 395367691 DNOLANSCJHNSBA-NSHDSACASA-N 204.317 2.944 30 20 BFED CO[C@H](CNc1cccc(CC#N)c1)C1CC1 400168844 KJSFMCOWHSBQFH-CQSZACIVSA-N 230.311 2.590 30 20 BFED CC[C@](C)(C#N)NC(=O)CC(C1CC1)C1CC1 400794640 ASDBBFAICBMRGB-CQSZACIVSA-N 234.343 2.621 30 20 BFED N#Cc1cc(-c2ccccc2)nn1CC1CC1 409444001 YFVOJWAHPOQEBS-UHFFFAOYSA-N 223.279 2.832 30 20 BFED C[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 424967619 RSKFFMCYUMAPSJ-SGMGOOAPSA-N 242.322 2.599 30 20 BFED C=C[C@H](C)NC(=O)[C@@H](c1cccnc1)C(C)C 436166735 DJGXPQDPMSDBKM-WCQYABFASA-N 232.327 2.512 30 20 BFED C=C(C)CCNC(=O)[C@H]1CCCC1(C)C 448550489 DASVRNFISOTUSM-LLVKDONJSA-N 209.333 2.895 30 20 BFED C=CCC(C)(C)CN=c1[nH]nc(C(C)C)o1 450544052 YTSPQQCMSDQVTA-UHFFFAOYSA-N 223.320 2.629 30 20 BFED C=C[C@@H]1OCCC[C@H]1Nc1ccc(C#N)cc1F 450805940 PQIMPAUXNNIQCV-KGLIPLIRSA-N 246.285 2.843 30 20 BFED CN(CC1=CCCCC1)CC(C)(C)C#N 451066444 UOQDKSGYKNQVCS-UHFFFAOYSA-N 206.333 2.968 30 20 BFED C=CCN(Cc1cnc(C2CC2)nc1)C1CC1 459473307 BUHQPQIUCZOULL-UHFFFAOYSA-N 229.327 2.504 30 20 BFED CC(C)(CC#N)CNCc1cccc([N+](=O)[O-])c1 459692746 MVTLVJBVKHYHHT-UHFFFAOYSA-N 247.298 2.624 30 20 BFED C=C[C@H](C)NC(=O)Cc1ccc(F)cc1Cl 488104672 MQTHDZMORDYJGG-QMMMGPOBSA-N 241.693 2.712 30 20 BFED C#C[C@H](C)N(C)C(=O)Nc1cc(C)ccc1F 491677085 XNQOQWDWOSZXSM-JTQLQIEISA-N 234.274 2.620 30 20 BFED N#CCCN(C/C=C\c1ccncc1)CC1CC1 494993801 HJMPFUIMRNBZAK-IWQZZHSRSA-N 241.338 2.720 30 20 BFED C=C(C)CCN1CCN(C2CCCCC2)CC1 509394096 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CCC1CN(C(=O)Nc2cc(F)cc(C#N)c2)C1 603074259 ZCIBJSCHDVMXDY-UHFFFAOYSA-N 247.273 2.571 30 20 BFED N#Cc1cc(F)ccc1CN1C2CCC1CC2 609133244 UXWZIVXHQXPWBY-UHFFFAOYSA-N 230.286 2.824 30 20 BFED C=CCSc1nc2ccc(C(=O)OC)cc2o1 609751066 UNAKDTHPEQTCEX-UHFFFAOYSA-N 249.291 2.893 30 20 BFED Cc1ccnc(N[C@@H](C)C[C@@H]2CCCO2)c1C#N 612075720 WLXRLFVNOOKWGX-RYUDHWBXSA-N 245.326 2.631 30 20 BFED CCC[C@@H](C)NC(=O)N1CCC[C@](C)(C#N)C1 612094683 QYCMRKQESYRHCP-DGCLKSJQSA-N 237.347 2.510 30 20 BFED CC(C)CSCCCN1CC[C@@](F)(C#N)C1 615645680 LEDPACCVUZFEBW-GFCCVEGCSA-N 244.379 2.703 30 20 BFED CCc1occc1C(=O)N1CCC[C@@](C)(C#N)C1 619537626 MCGATOWVSWJKLA-AWEZNQCLSA-N 246.310 2.608 30 20 BFED C=C[C@H](C)NC(=O)[C@H](C)Cc1ccccc1C 626066812 RMHKQBMGFRGRBT-OLZOCXBDSA-N 231.339 2.864 30 20 BFED C=C(CC)CNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21 627685128 KANXFJPLYLMJOB-QLFBSQMISA-N 241.334 2.655 30 20 BFED C=C(C)c1cccc(CNC2CCOCC2)c1 629729974 LVCBRXYPJPFQGO-UHFFFAOYSA-N 231.339 2.988 30 20 BFED C=CC(C)(C)CN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 631630423 DACDYRFIKMRNES-AVGNSLFASA-N 235.371 2.746 30 20 BFED C=C[C@@H]1CCCCN1Cc1ccns1 639111105 FEWJOOAVMIMOMK-SNVBAGLBSA-N 208.330 2.684 30 20 BFED C=CCCNC(=O)N[C@@H](CC)Cc1ccccc1 660560559 LSQNIKBGYCDNAZ-AWEZNQCLSA-N 246.354 2.883 30 20 BFED C=CC[C@@H]1CCCN(CC(F)(F)F)C1 661378264 BJXZZDHSQFYEOP-SECBINFHSA-N 207.239 2.837 30 20 BFED C=CC[C@@H]1CCCN(c2ccccn2)C1 664254752 ZZMJONYAMSKBFY-GFCCVEGCSA-N 202.301 2.874 30 20 BFED C=CC[C@H](C)NC(=O)c1cc(COC)cs1 668855092 UHFAEELORHEHLB-VIFPVBQESA-N 239.340 2.589 30 20 BFED C=C[C@@H](C)NC(=O)Cc1cc2ccccc2o1 674954783 AYIHFCMYAZSUHN-SNVBAGLBSA-N 229.279 2.666 30 20 BFED COCC#CCN(C)[C@H](C)c1ccc(C)cc1 677133419 UVKPTSFMEJJTHT-CQSZACIVSA-N 231.339 2.638 30 20 BFED COCC#CCOc1cc(Cl)ccc1F 677806084 PESGSVKMPJBWLO-UHFFFAOYSA-N 228.650 2.508 30 20 BFED C=C[C@@](C)(CCOC)C(=O)N[C@H](C)C1CCC1 682090378 WOESBWLJDGAJGV-RISCZKNCSA-N 239.359 2.520 30 20 BFED C=CCCSCCNC(=O)OC1CCCC1 696132521 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30 20 BFED C=CCCC(=O)NCCc1ccc(F)c(F)c1 191663548 UVKDIVKUQRZAHF-UHFFFAOYSA-N 239.265 2.590 30 20 BFED C=CCN(C)C(=O)Nc1ncc(C(C)C)s1 192393425 CNHLXMNXDIEIIS-UHFFFAOYSA-N 239.344 2.916 30 20 BFED N#CCC[C@@H](C#N)CN1CCc2sccc2C1 192957105 VTTCIBYHAWSWCS-NSHDSACASA-N 245.351 2.550 30 20 BFED CCO[C@@H](C(=O)OCCCC#N)c1ccccc1 194867837 JMEBHJLXCSBHNZ-CYBMUJFWSA-N 247.294 2.611 30 20 BFED CCCCCCCS(=O)(=O)N(CC)C1CC1 195075568 KDCIEJNYYWDUDL-UHFFFAOYSA-N 247.404 2.771 30 20 BFED C#Cc1ccc(NC(=O)C(C)(C)C)cc1 196132392 MWRWQTWZYBBZCR-UHFFFAOYSA-N 201.269 2.653 30 20 BFED NCc1cccc(C#Cc2ccccc2)c1 201562680 JJMYDBYPWQZEEW-UHFFFAOYSA-N 207.276 2.545 30 20 BFED Cc1cc(C)c(C#N)c(N[C@@H]2CCO[C@H](C)C2)n1 220063651 JUDXEOUIWAENMW-VXGBXAGGSA-N 245.326 2.550 30 20 BFED C=CCCOCCN[C@@H]1CCC[C@@H](C)[C@@H]1C 227710983 JAMMUADMKXUMCL-HZSPNIEDSA-N 225.376 2.993 30 20 BFED C=C[C@@H](C)NCc1occc1Br 229027289 QYMMYARHTJODND-SSDOTTSWSA-N 230.105 2.706 30 20 BFED C#C[C@@H](CC)N[C@@H](C)Cc1ccc(F)cc1 229529648 XHPOWUYOAXKAIQ-FZMZJTMJSA-N 219.303 2.758 30 20 BFED C=CCOc1ccccc1C(=O)NC1CCC1 264516369 LHEUBLDFXSAKGQ-UHFFFAOYSA-N 231.295 2.534 30 20 BFED C=C(Cl)CNC(=O)N1CCC[C@@H]2CCC[C@@H]21 266491251 JHKXQDKPPCOYFT-QWRGUYRKSA-N 242.750 2.713 30 20 BFED C#CCCCNC1(c2nccs2)CCCC1 270989008 DOLHQKAHUFAHDG-UHFFFAOYSA-N 234.368 2.915 30 20 BFED CC(C)(C(=O)NCCCC#N)c1cccc(F)c1 273025314 LSDNQIGPDZMRAG-UHFFFAOYSA-N 248.301 2.523 30 20 BFED C#CCN(Cc1ccc(C)s1)C1CC1 274115536 MFNSVWFYOWTCQQ-UHFFFAOYSA-N 205.326 2.654 30 20 BFED C=C(C)CCN(C)CCc1ccccn1 274828216 LJRISLUQUOLMDS-UHFFFAOYSA-N 204.317 2.522 30 20 BFED C=CCCN(C)Cc1cc(F)cc(F)c1 276072578 ACYNKEVGJSLXPY-UHFFFAOYSA-N 211.255 2.973 30 20 BFED C=CC[C@@H](CC)NC(=O)Nc1c(C)noc1C 281372771 MVBHDYWIMKDHPF-SNVBAGLBSA-N 237.303 2.768 30 20 BFED CCN(CC#N)c1ccc(Cl)cc1F 281667439 LGYNQCRYKZXYHC-UHFFFAOYSA-N 212.655 2.829 30 20 BFED C#C[C@H](NCc1ccc(OC)c(F)c1)C(C)C 289379206 MJTPEUGLASPYLI-ZDUSSCGKSA-N 235.302 2.582 30 20 BFED CC[C@@](C)(C#N)c1nc([C@@](C)(CC)OC)no1 290212461 XEMYEIMJAZNUNU-NWDGAFQWSA-N 237.303 2.532 30 20 BFED CC[C@@H](CNc1ccc(C#N)cc1F)OC 290729473 QGCYSQFNNJASQN-JTQLQIEISA-N 222.263 2.534 30 20 BFED Cc1nc(NOCC(C)C)c(Cl)cc1C#N 292763078 WFLLCSCGYKNUFV-UHFFFAOYSA-N 239.706 2.915 30 20 BFED C#Cc1ccc(CN2CC[C@@H](SC)C2)cc1 295071383 PFPAJKFFLFATQJ-CQSZACIVSA-N 231.364 2.605 30 20 BFED CCCN(CC#N)Cc1csc(Cl)n1 297546449 QKMZVIYUFDNFSC-UHFFFAOYSA-N 229.736 2.532 30 20 BFED C[C@H](C#N)CNc1nc(C(F)(F)F)cs1 301766066 NRGIOEUMMQLTHQ-RXMQYKEDSA-N 235.234 2.733 30 20 BFED CN(C)/C=C/C(=O)c1c(F)cccc1Cl 307127504 NTPFLGWBTWATMV-VOTSOKGWSA-N 227.666 2.737 30 20 BFED N#C[C@@H]1CC[C@H](NCc2ccsc2)C1 307495039 IDZANKIALXKZLF-KOLCDFICSA-N 206.314 2.530 30 20 BFED COCC#CCSC/C(C)=C/Cl 308177548 ZWQVVEMZADLGBQ-VQHVLOKHSA-N 204.722 2.512 30 20 BFED Cc1nc(C#N)cc(N[C@H]2CCC(C)(C)C2)n1 308438118 XRRRKTXECUADDR-JTQLQIEISA-N 230.315 2.647 30 20 BFED CCC(CC)CNc1cc(C#N)nc(C)n1 308439030 YCHGAEZZEORGDR-UHFFFAOYSA-N 218.304 2.505 30 20 BFED C=CC[C@H](C)[C@@H](C)NCCC[C@H](C)CO 309016550 UPZPHUVEDRGZBQ-RWMBFGLXSA-N 213.365 2.585 30 20 BFED C=CCCOC(=O)c1cccc(CC)c1N 309254194 FZHBPSRDCDFKRL-UHFFFAOYSA-N 219.284 2.564 30 20 BFED CC#CCNc1ccc(OCC(F)F)cc1 309342614 KTEUQWZTHSJMAW-UHFFFAOYSA-N 225.238 2.766 30 20 BFED N#CC1(CN[C@@H]2CCc3ccccc32)CC1 309602611 XBEWVPXRNUAOJY-CYBMUJFWSA-N 212.296 2.567 30 20 BFED CC[C@H](CC#N)NC(=O)[C@H]1CCCCC1(F)F 327642738 RQZGAHNRFWXPKH-NXEZZACHSA-N 244.285 2.620 30 20 BFED N#C[C@@H]1CCC[C@H]1NC(=O)C[C@H]1C=CCCC1 332997628 HFPAUKPYFDXSCJ-RWMBFGLXSA-N 232.327 2.541 30 20 BFED N#Cc1cncc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)n1 333761883 CTFRCNDYXFLSSN-QJPTWQEYSA-N 242.326 2.729 30 20 BFED N#CC1(CNC(=O)NC2CCCCCC2)CCC1 335003476 DABGTIIHKSKBTB-UHFFFAOYSA-N 249.358 2.702 30 20 BFED C=C(C)C(C)(C)C(=O)N1C[C@H](C)S[C@H](C)C1 335151251 KBASLEQTERFKJK-PHIMTYICSA-N 241.400 2.941 30 20 BFED C[C@H](NC1CCC(C)(C#N)CC1)C(F)(F)F 335275484 BGCXFZWBEILQGQ-IDKOKCKLSA-N 234.265 2.999 30 20 BFED N#Cc1nc(N2CC[C@@H]3CCC[C@@H]32)ccc1Cl 335735760 COBCNNBHFACACY-CABZTGNLSA-N 247.729 2.985 30 20 BFED CN(C(=O)CC(C)(C)C#N)C1CCCCC1 335756832 KTOXMZQFAKKCDR-UHFFFAOYSA-N 222.332 2.717 30 20 BFED Cc1noc(-c2cccc(SCC#N)c2)n1 335946955 BHIXPSGIIBFUEI-UHFFFAOYSA-N 231.280 2.661 30 20 BFED CCCC(=O)Nc1cc(C#N)c2ccccc2n1 335991894 OBZLRLWDJCLXIF-UHFFFAOYSA-N 239.278 2.845 30 20 BFED N#Cc1ccc(CN2CC[C@H]3CCC[C@H]32)o1 336116494 DPADTQYMYSDGRZ-ZWNOBZJWSA-N 216.284 2.526 30 20 BFED C=C(C)CN(C)C(=O)C12CCC(CC1)C2 336560417 AGKSKWBJFRDWRK-UHFFFAOYSA-N 207.317 2.601 30 20 BFED COC(=O)c1sc2ccc(C#N)cc2c1C 336651961 IIILXIYYDGQUSS-UHFFFAOYSA-N 231.276 2.868 30 20 BFED Cc1nc(N(C)CC2CCCC2)ccc1C#N 336713266 OLDMXEQMBVHDIP-UHFFFAOYSA-N 229.327 2.888 30 20 BFED CCc1cccc(Cl)c1CNCCC#N 336748448 CSUCQMLLOCFBFR-UHFFFAOYSA-N 222.719 2.906 30 20 BFED C=CCCSCC1(CS(C)(=O)=O)CCC1 338082558 XRWAYLCYTKNDJG-UHFFFAOYSA-N 248.413 2.511 30 20 BFED Cc1ccsc1CN(C)c1ccc(C#N)nc1 338641272 DAYSECZHQHSDRD-UHFFFAOYSA-N 243.335 2.960 30 20 BFED C=C(C)[C@@H](CC(=O)NC[C@@H]1CC1(C)C)OCC 339372465 UXILIIYFZGGTPL-NWDGAFQWSA-N 239.359 2.520 30 20 BFED C=CCCCSC[C@H]1CCCS(=O)(=O)C1 340614630 CNXVUACZMCLXNS-LLVKDONJSA-N 248.413 2.511 30 20 BFED C=CCC(C)(C)c1noc(C[C@H]2CCCO2)n1 340819615 LUBDWHVWNZQGOQ-SNVBAGLBSA-N 236.315 2.645 30 20 BFED C=C(C)CNC(=O)C[C@H]1C[C@H]1c1ccccc1 341750222 RQGASBMJPGVUQT-KGLIPLIRSA-N 229.323 2.873 30 20 BFED CCCN(CC)C(=O)CCc1ccc(C#N)cc1 346339908 XAXBIVJGOFIBGK-UHFFFAOYSA-N 244.338 2.749 30 20 BFED C[C@@]1(F)CCN(c2c(F)cc(C#N)cc2F)C1 346699364 NQVODOYJRLTKLP-GFCCVEGCSA-N 240.228 2.775 30 20 BFED C=C[C@H](C)NC(=O)NC1CCCCCC1 362378147 BWCNXCUVBHULAL-JTQLQIEISA-N 210.321 2.583 30 20 BFED C=C[C@@H](C)NC(=O)CCCN(CCC)CCC 362615361 RXSJZYLKPDOQBW-CYBMUJFWSA-N 240.391 2.579 30 20 BFED C=CCCCN(C)Cc1cn2c(n1)CCCC2 372991857 WEUUIXZOOFYEJT-UHFFFAOYSA-N 233.359 2.617 30 20 BFED CCCC(CC)=NN[C@H]1CCSC1 379402012 MAXSMVLOGJQNOF-JTQLQIEISA-N 200.351 2.648 30 20 BFED C=C(C)COCCN[C@H]1CCc2cccc(O)c21 386196929 KSWNHPUHRNZXMS-ZDUSSCGKSA-N 247.338 2.562 30 20 BFED C=CCSCc1ccc(C(=O)O)s1 388754013 CJWSGPWVXIXBGK-UHFFFAOYSA-N 214.311 2.866 30 20 BFED C#C[C@](C)(CC)NC/C(Cl)=C/Cl 395243257 WORUBNFPIBLHFK-JGAIRUGNSA-N 206.116 2.697 30 20 BFED COC(=O)[C@@H](Sc1ccc(C#N)cc1)C(C)C 412997671 XBHMQVQMVZMZBW-LBPRGKRZSA-N 249.335 2.848 30 20 BFED Cc1ccnc(N[C@@H]2C[C@H]2C(C)C)c1C#N 413445804 XUHIVIAAHRHJNB-CMPLNLGQSA-N 215.300 2.718 30 20 BFED C=C(CC)CN[C@@H](Cc1ccccc1)[C@@H](C)N 423154550 JQGDDUSJAJZUFN-HIFRSBDPSA-N 232.371 2.501 30 20 BFED CCN[C@H](C)CN[C@H](CC)c1ccc(C#N)cc1 423373528 HDIVNIVXCHZZLF-IUODEOHRSA-N 245.370 2.597 30 20 BFED C[C@@H](NCC1(CC#N)CC1)c1ccc(F)cn1 430725026 PONPNEIOLSDFBV-SNVBAGLBSA-N 233.290 2.565 30 20 BFED C=CCCCC(=O)N1CC(C)=C[C@H](C)C1 435265306 ZOFLQWBATJIVEA-NSHDSACASA-N 207.317 2.767 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCC(C)C 437530502 ZJMLITSOJWGVRY-OCCSQVGLSA-N 239.359 2.520 30 20 BFED C=CC[C@@H](C)[C@H](C)NCc1ncccc1OC 449750747 WEDPPBAALVACMM-NEPJUHHUSA-N 234.343 2.781 30 20 BFED C=C[C@@H]1OCC[C@H]1NC[C@H]1CCCC(F)(F)C1 451608884 CHJHCFHUVPIGRT-TUAOUCFPSA-N 245.313 2.745 30 20 BFED C=C(C)CCNC(=O)C1(CCOCC)CCC1 452716948 JUCVBPDXPUOIQL-UHFFFAOYSA-N 239.359 2.666 30 20 BFED C=C(C)CCNC(=O)[C@@]1(C#N)CC12CCCC2 452743126 TYCSKBNUMDKPOL-AWEZNQCLSA-N 232.327 2.543 30 20 BFED CC#CCN(C)C(=O)C1=CCC(C)(C)CC1 456043739 ZKLFGOSSUGHDJR-UHFFFAOYSA-N 219.328 2.605 30 20 BFED C=CCC(C)(C)C(=O)NCC(C)(C)CC#N 458015747 DPBQEGYXEMUYLI-UHFFFAOYSA-N 222.332 2.645 30 20 BFED CC#CCOc1cccc(OC(C)C)c1 464093046 XPFBYFGPKSFFJY-UHFFFAOYSA-N 204.269 2.876 30 20 BFED C#CCN(C)C(=O)c1[nH]c2ccccc2c1Cl 491710313 RKGQIHKIMFVELU-UHFFFAOYSA-N 246.697 2.527 30 20 BFED C=CCCC[C@H](C)NC(=O)/C=C/c1ccc[nH]1 491989979 LARMRBIIEZXRRR-VMPCVLLUSA-N 232.327 2.889 30 20 BFED N#Cc1cc(F)ccc1NC(=O)[C@]12CCC[C@@H]1C2 515827578 XZACRGZVIGWWMD-YGRLFVJLSA-N 244.269 2.826 30 20 BFED CC(C)(C#N)NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 562700129 UEMYVRHZEDGHLZ-DOMZBBRYSA-N 242.322 2.599 30 20 BFED C=CCCC(=O)Nc1cccc2c1CCN2 567830550 IHNZDWABFIDZPV-UHFFFAOYSA-N 216.284 2.559 30 20 BFED CN(Cc1ccc2c(n1)CCC2)CC(C)(C)C#N 570023811 JNOWUQPQIHPPOJ-UHFFFAOYSA-N 243.354 2.552 30 20 BFED C=CCOc1cccc(NCC2(O)CCC2)c1 574983282 BDJXACLHCAATJJ-UHFFFAOYSA-N 233.311 2.578 30 20 BFED CCC[C@H](C#N)NC(=O)C1=CC[C@@H](C)CC1 578597970 WWMMCNYKFFEYHQ-ZYHUDNBSSA-N 220.316 2.541 30 20 BFED N#Cc1cccc(Cl)c1N[C@@H]1CCC[C@@H](N)C1 591435561 KHBJSSLPQHJNSD-GHMZBOCLSA-N 249.745 2.893 30 20 BFED CC[C@@H](C#N)C(=O)N(C)C(C)(C)c1ccccc1 593687752 BPSGTUNQEBHZKW-LBPRGKRZSA-N 244.338 2.930 30 20 BFED CC[C@@H](C#N)N(C)C(=O)C1(CC)CCCC1 594096502 DAXBFFIFKIIBFQ-NSHDSACASA-N 222.332 2.717 30 20 BFED C=CC[C@H]1CCCN(Cc2ccc(C#N)cn2)C1 595661041 WQTYFXCYZGHTEE-ZDUSSCGKSA-N 241.338 2.741 30 20 BFED C[C@H](C#N)N(Cc1ccc(Cl)cn1)C1CC1 595710148 MDXDQJVEIMEOJO-SECBINFHSA-N 235.718 2.611 30 20 BFED COC1(CCNc2nc(C#N)ccc2C)CCC1 596246630 XHTBYWXWTLMIKJ-UHFFFAOYSA-N 245.326 2.633 30 20 BFED Cc1ccc(C#N)nc1NCCC(C)(F)F 596254296 AEVVXEJNOBGZFJ-UHFFFAOYSA-N 225.242 2.719 30 20 BFED CC[C@@H](C#N)NC(=O)c1cccc(C(C)C)c1 597038649 CHOFJLQNBDPCHF-ZDUSSCGKSA-N 230.311 2.842 30 20 BFED N#Cc1ccc(CN2C[C@@H]3CCCC[C@@H]32)o1 597158685 DSGXFXOMPVPFBN-GWCFXTLKSA-N 216.284 2.526 30 20 BFED CC(C)(C)[C@H](C#N)NC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 602340158 KKBUBIWLVJFJAT-JUFZMCDQSA-N 248.370 2.867 30 20 BFED C[C@@H](C#N)C(=O)N1CC(C)(C)[C@H]1c1ccccc1 609921158 PVYNYPLRFKBCFL-WCQYABFASA-N 242.322 2.756 30 20 BFED CCN(Cc1cccc(N(C)C)c1)C[C@@H](C)C#N 610211608 SYOMEXUHYXRIJI-ZDUSSCGKSA-N 245.370 2.734 30 20 BFED N#C[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1F 610489713 UAUMVEDDNGARJQ-GZMMTYOYSA-N 249.245 2.838 30 20 BFED C=CCC(C)(C)C(=O)N[C@H]1CCC(F)(F)C1 645803053 RCYHXSGHFYRBIT-VIFPVBQESA-N 231.286 2.893 30 20 BFED C=CC[C@@H]1CCCN(Cc2nc(CCC)no2)C1 661377808 WFSHVFIFTATNLX-GFCCVEGCSA-N 249.358 2.810 30 20 BFED C=CC[C@H]1CCCN(Cc2cnc(C)nc2)C1 661382115 SHQCQOCIGYHGQR-ZDUSSCGKSA-N 231.343 2.573 30 20 BFED C=C(C)CN[C@@H](COC)c1cccc(OC)c1 661478810 OPNFBCCIIRQRQQ-AWEZNQCLSA-N 235.327 2.548 30 20 BFED C=CCC1(NCc2cc(C)on2)CCCC1 661851323 QBWAMUKOLUBHHD-UHFFFAOYSA-N 220.316 2.962 30 20 BFED C=CCCNC(=O)N(C)[C@H]1CCc2ccccc21 665947550 PVQOCOCGHNARIP-AWEZNQCLSA-N 244.338 2.891 30 20 BFED C=CCN(Cc1cccs1)[C@H]1CCCOC1 678349878 OVHXANGXAMGPJJ-LBPRGKRZSA-N 237.368 2.915 30 20 BFED C=CCN(C)C(=O)N[C@@H](CCC)c1ccccn1 681646149 MOYCKFGFLAVVSN-ZDUSSCGKSA-N 247.342 2.750 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@@H]1CC12CCC2 684938682 FQZXUKMYYDCJTC-MNOVXSKESA-N 207.317 2.648 30 20 BFED N#CCCCCNC(=O)OC1CCCCC1 704335503 BXGRUDFHGXXPSB-UHFFFAOYSA-N 224.304 2.739 30 20 BFED C#C[C@H](NCc1ccc(O)c(F)c1)C(C)(C)C 705318880 YJECAKNBTBRCQT-ZDUSSCGKSA-N 235.302 2.669 30 20 BFED CCCCNN=C(CCCC)COC 737429758 CBDYBSYRLQQLQY-UHFFFAOYSA-N 200.326 2.569 30 20 BFED C#CCN(CC)[C@H](C)c1cccc(F)c1 746139832 HFUXOWDSHRTSEE-LLVKDONJSA-N 205.276 2.842 30 20 BFED CCCON=C1C(=O)N(CCC)c2ccccc21 754280627 XLICRHWUPMPEMI-UHFFFAOYSA-N 246.310 2.574 30 20 BFED C=CC1CCN(C(=O)c2csc(C=O)c2)CC1 755003261 XDMONCUHEURWOG-UHFFFAOYSA-N 249.335 2.599 30 20 BFED Cc1ccnc(NN=Cc2nc(C)cs2)c1 755771536 WYPPGWKXWSOZBO-UHFFFAOYSA-N 232.312 2.601 30 20 BFED CC(=NO[C@H]1CCCCO1)c1ccc(C)cc1O 755822855 KVKMMPZRRKHBRR-AWEZNQCLSA-N 249.310 2.968 30 20 BFED C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 758034803 NJSJQXQRFLDWMD-JHJVBQTASA-N 221.344 2.731 30 20 BFED COc1ccc(Cl)cc1C(C)=NNC1CC1 758133662 QLMSJDGZSBHQKO-UHFFFAOYSA-N 238.718 2.825 30 20 BFED C=CCC(CC=C)C(=O)OCC(=O)C(C)C 759012839 YXWUJMCKMGFRIT-UHFFFAOYSA-N 224.300 2.523 30 20 BFED CC(=NNc1ncccc1[N+](=O)[O-])C1CCCC1 759206065 JJADMTANGZOCNY-UHFFFAOYSA-N 248.286 2.968 30 20 BFED CC(=NOCC1CC1)c1ccc2c(c1)OCCO2 763172620 RVVQOIDWRAHBQS-UHFFFAOYSA-N 247.294 2.608 30 20 BFED C=C(CC)CONC(=N)c1ccsc1 773179849 BNNDKPDDQGSYAG-UHFFFAOYSA-N 210.302 2.561 30 20 BFED COc1ccc(C=NOC2CCOCC2)cc1C 774451389 QMQSPWZEBBOXOD-UHFFFAOYSA-N 249.310 2.533 30 20 BFED CCC(CC)CNN=Cc1ncccc1C 774474249 XOJZUWBMJQKGOV-UHFFFAOYSA-N 219.332 2.750 30 20 BFED CC(=NN[C@H]1CCCOC1)c1sccc1C 780262607 OYDYHTDYHXVMGY-NSHDSACASA-N 238.356 2.549 30 20 BFED CCC(=NNc1ncncc1Cl)C1CC1 780280134 UYJYGZGUYNCWMJ-UHFFFAOYSA-N 224.695 2.718 30 20 BFED CC(=NNc1ccnc(F)c1)c1ccoc1 781127290 LTNPCZKIZFQSLS-UHFFFAOYSA-N 219.219 2.650 30 20 BFED C[C@@H](CNC(=O)CC(C)(C)C#N)C(C)(C)C 783566942 ZBHUAQFDYGKJFF-JTQLQIEISA-N 224.348 2.725 30 20 BFED CCc1ccccc1NC(=S)NCCCC#N 783755278 ADLUKBHOXBYZLO-UHFFFAOYSA-N 247.367 2.839 30 20 BFED CC[C@H](C)NN=C1CCOc2c(C)cccc21 790181411 DNFOFZTVFPUVPH-NSHDSACASA-N 232.327 2.870 30 20 BFED C[C@H]1CC(C)(C)CC1=NNc1nccn1C 790300421 YHGYBIFQYSYXKK-VIFPVBQESA-N 220.320 2.644 30 20 BFED C#C[C@H](C)N(C)CCSCc1ccccc1 790355494 FBLRCTCKZUJVOC-ZDUSSCGKSA-N 233.380 2.873 30 20 BFED COCCC(=NNc1ncccc1F)C(C)C 794979980 BUAGRDRTIVPGJI-UHFFFAOYSA-N 239.294 2.681 30 20 BFED CCO[C@@H]1CCCC1=NNc1ncccc1F 794983432 HDZFHAOCXWQVJZ-LLVKDONJSA-N 237.278 2.578 30 20 BFED COCCCON=C1CCC[C@H](C)[C@@H]1C 795042013 LNHZFKFCYPVWAG-QWRGUYRKSA-N 213.321 2.852 30 20 BFED C=CCOCCOC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 797310000 OTTJNIBSYROTKX-ITGUQSILSA-N 240.343 2.805 30 20 BFED C=CCN(C)Cc1cc(C)nc(Cl)c1 797602983 ZPUBITNRDOZKSU-UHFFFAOYSA-N 210.708 2.661 30 20 BFED C=CC[C@@H](CC)NC(=O)C1=C(CC)OCCC1 799035321 WVBRACRQLJWRSP-LLVKDONJSA-N 237.343 2.932 30 20 BFED CC(C)C[C@H](C)C=NNc1cnccn1 799108781 JKMZQRUHSUJERU-JTQLQIEISA-N 206.293 2.557 30 20 BFED COc1ccccc1CON=Cc1ccn(C)c1 799117069 HXWXPFBGIGJZLA-UHFFFAOYSA-N 244.294 2.584 30 20 BFED CC(C)[C@H](NCCO[C@@H](C)C#N)c1ccccc1 801911828 UHBKZEUSJMYPKX-ZFWWWQNUSA-N 246.354 2.902 30 20 BFED CC(C)N(CCO[C@H](C)C#N)c1ccccc1 801930032 CEVFSKAPQPCJCB-CYBMUJFWSA-N 232.327 2.830 30 20 BFED C[C@H]1CC(=NNC2CC2)c2ccccc21 807982528 DKPXZEKXYPGMOA-VIFPVBQESA-N 200.285 2.650 30 20 BFED Cc1ccc(C=NNC[C@H]2CCSC2)cc1 811659095 ODOABKYTQCYPNR-CYBMUJFWSA-N 234.368 2.672 30 20 BFED CC(=NOCC1CC1)c1cncc(C)c1 814244223 JKELKKBTEHHLJB-UHFFFAOYSA-N 204.273 2.541 30 20 BFED CC(C)CCC=NN1C(=O)c2ccccc2C1=O 814692187 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C=C(Br)CN(CC)CCSC 830993805 FMSXBTRTCLNNJT-UHFFFAOYSA-N 238.194 2.580 30 20 BFED CC(=NNc1ccc(F)cn1)[C@@H]1C[C@H]2CC[C@H]1O2 834957481 XEFCXNLEQPQNJM-GRYCIOLGSA-N 249.289 2.576 30 20 BFED CO[C@@H]1CC(=NNc2cccc(F)n2)C12CCC2 834977277 JLWLZAMTMXWTLE-SNVBAGLBSA-N 249.289 2.578 30 20 BFED C=CCON=C(C)c1cc([N+](=O)[O-])ccc1C 835015615 LTDGWBYCPDTHME-UHFFFAOYSA-N 234.255 2.830 30 20 BFED C=CCN(C(=O)NC[C@@H]1C[C@H]1CC)C(C)C 838665477 KXCBCUHRKIDJPI-NEPJUHHUSA-N 224.348 2.639 30 20 BFED C#CCC[C@@H](C)OC(=O)Cc1ccc(C)cc1 839033115 ASAQNVTYFPCEMC-CYBMUJFWSA-N 230.307 2.883 30 20 BFED CCC(=NOCC(F)(F)F)[C@H]1C[C@H]1C 841630434 OXTFQPJWLMUDST-RQJHMYQMSA-N 209.211 2.987 30 20 BFED C=C(C)COc1cccc(OCC#N)c1 842108885 UJLPXXXQGQFUGK-UHFFFAOYSA-N 203.241 2.544 30 20 BFED C#CC1CCN(C(=O)/C=C2\CC[C@@H](C)C2)CC1 843706221 NLTSKBGEIDTLIG-SLQMCABGSA-N 231.339 2.605 30 20 BFED C=C[C@@H](C)ON=C1C[C@@](C)(OC)C1(C)C 844622162 VSVFXJRAERTQIB-BXKDBHETSA-N 211.305 2.769 30 20 BFED C=C[C@@H](C)ON=C1CCN(C(C)(C)C)CC1 844624819 NRJLIHWMDHKAEH-LLVKDONJSA-N 224.348 2.828 30 20 BFED C=C(C)CONC(=O)N1C[C@@H](C)c2ccccc21 845592996 TWEVRFDXJMKPMN-LLVKDONJSA-N 246.310 2.827 30 20 BFED CC[C@@H](COC(=O)C(C)(C)C#N)CC(F)F 845759303 RETXJQPJXFSWEB-MRVPVSSYSA-N 233.258 2.761 30 20 BFED C=C[C@H](C)ONC(=O)c1ccc(Cl)c(C)c1 846544946 CSYNFQRHUHNJQQ-VIFPVBQESA-N 239.702 2.884 30 20 BFED C#CCCOC(=O)C1[C@H]2CCCCCC[C@H]12 850307123 YJIDPMZZVDASNF-RYUDHWBXSA-N 220.312 2.769 30 20 BFED C/C(=C/C(=O)O[C@H](C)CC#N)c1ccco1 850843374 URAGVGQEWCASOT-HSTULFTRSA-N 219.240 2.528 30 20 BFED C=C[C@H](OC(=O)CCCF)C(C)(C)C 851008079 KNQHAYAHBQSXFK-VIFPVBQESA-N 202.269 2.880 30 20 BFED C=C(C)[C@@H](CC(=O)OCC1CC(C)C1)OCC 851462937 BOZXSJTYEDAAKY-WXRRBKDZSA-N 240.343 2.947 30 20 BFED C#C[C@](C)(CC)NCc1cccc(NC(C)=O)c1 852100283 VMNOQGJILNNUJW-OAHLLOKOSA-N 244.338 2.537 30 20 BFED COCc1csc(C=NOCCSC)c1 853340819 ATPGOLZUCWAFMJ-UHFFFAOYSA-N 245.369 2.608 30 20 BFED C#C[C@@](C)(CC)NC(=O)[C@H](CCC)C(C)C 854700573 VKTJIHPZNMHOET-OCCSQVGLSA-N 223.360 2.977 30 20 BFED C[C@@H]1CCC(C)(C)N1C(=O)C#CC(C)(C)C 854898594 ZGTLYOLULHIJDB-LLVKDONJSA-N 221.344 2.825 30 20 BFED CCCCCCCNC(=O)Nc1cccnn1 860759911 SJBFNONVPRQLNC-UHFFFAOYSA-N 236.319 2.569 30 20 BFED CCCCCCCNC(=O)Nc1ccncn1 860974820 PEYPQJRWRCMNDB-UHFFFAOYSA-N 236.319 2.569 30 20 BFED CCCCCCCNC(=O)c1cc[nH]c1 862359527 MMSPWPFQZYIGPQ-UHFFFAOYSA-N 208.305 2.715 30 20 BFED C#CC[C@H](CCOC)NC[C@@H](C)c1ccccc1 862549329 ZTJVLZUMUJWXEC-GDBMZVCRSA-N 245.366 2.808 30 20 BFED C=C[C@H](C)ON=C1CCC(CC(=O)OC)CC1 863124261 SHWHVWOLNTUGKX-VUWPPUDQSA-N 239.315 2.687 30 20 BFED C=CCOCCOC(=O)[C@H](CC)CCC 873422609 ZQHQLGPZGWWUIX-LLVKDONJSA-N 214.305 2.559 30 20 BFED C=CC(C)(C)CC(=O)Nc1n[nH]c(C)c1Cl 879806783 VKTHGUYXRGWLBY-UHFFFAOYSA-N 241.722 2.912 30 20 BFED CCCCCCCNC(=O)N(C)CCCF 884029526 OVSVCTIOEPMJNA-UHFFFAOYSA-N 232.343 2.958 30 20 BFED C=CC(C)(C)CC(=O)OCCSCCOC 893075892 ARCYTZFHCRBKQJ-UHFFFAOYSA-N 246.372 2.512 30 20 BFED C=CC(C)(C)c1nc(-c2ccc(C)nc2O)no1 896208373 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236.340 2.786 30 20 BFED C#Cc1ccc(NCCCCOC(C)C)nc1 1120834800 ZANMVOQVBJMHTD-UHFFFAOYSA-N 232.327 2.680 30 20 BFED C=CCC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1121246521 UUBWGUOJTBJBGI-REWJHTLYSA-N 249.354 2.511 30 20 BFED O=C(CCCC1CC1)OCC#Cc1ccccn1 1122959235 YNGXNSUXYDIWQG-UHFFFAOYSA-N 243.306 2.557 30 20 BFED C[C@@H](CC#N)Nc1cc(-c2ccccc2)ncn1 1185332023 TVLPTNYQIKNCMB-NSHDSACASA-N 238.294 2.858 30 20 BFED C#C[C@@H](C)N(C)C(=O)N[C@H](C)c1cc(C)oc1C 1256174927 DBHDKRJVMNQSHF-MWLCHTKSSA-N 248.326 2.621 30 20 BFED CO[C@@H](C=NOC(C)(C)C)CC(C)C 1325297908 KHUHECKWOAJALZ-SNVBAGLBSA-N 201.310 2.848 30 20 BFED C=C(C)COCCNC(=N)Nc1ccccc1C 1326940312 HIUGLJLOUGXGHO-UHFFFAOYSA-N 247.342 2.524 30 20 BFED C=C(C)CCC(=O)N1C[C@@H](C)C[C@H]1CC 1335806736 OSNMSYPSOYOAHP-NWDGAFQWSA-N 209.333 2.990 30 20 BFED C=CCC[C@H]1CCCN1C(=O)c1coc(C)n1 1336237817 HUEUMTAXOUAKFC-NSHDSACASA-N 234.299 2.554 30 20 BFED C=C(C)CCC(=O)N1CCC2(CC1)CC2(F)F 1336550122 IKCOVEDNEJPFSZ-UHFFFAOYSA-N 243.297 2.991 30 20 BFED C=C(C)CCC(=O)NCC(C)(C)OCC1CC1 1337317857 LDCOFTZEORKQJQ-UHFFFAOYSA-N 239.359 2.664 30 20 BFED C=C[C@H](CC)CC(=O)OCc1cnn(CC)c1 1343986079 FJVBXKUKMULUFX-LLVKDONJSA-N 236.315 2.549 30 20 BFED C=CC[C@@H](CC)NC(=O)N1C[C@H]2CCC[C@H]1C2 1355320661 HZGWQMWCXMKKKL-XQQFMLRXSA-N 236.359 2.925 30 20 BFED CC[C@H]1CCN(C(=O)c2sccc2C#N)[C@H]1C 1435968676 TUCUCXOXZJWINP-UWVGGRQHSA-N 248.351 2.880 30 20 BFED C[C@H](CC#N)NC(=O)c1ccc(F)c2occc12 1465013806 AAGMBJDWEXJOIV-MRVPVSSYSA-N 246.241 2.604 30 20 BFED C=CCN(C(=O)c1ccnn1[C@@H](C)CC)C1CC1 1519752840 KVMJVFNIJWIOCX-NSHDSACASA-N 247.342 2.645 30 20 BFED C[C@H](N[C@H]1CCCC[C@@H]1O)c1ccc(C#N)cc1 37749521 KHWKCRKQFQHKMT-CQDKDKBSSA-N 244.338 2.512 30 20 BFED C[C@@H]1CCCN1Cc1cc(C#N)ccc1F 37910729 BMTVUHDPWCMVMS-SNVBAGLBSA-N 218.275 2.682 30 20 BFED C[C@H](CCc1ccco1)Nc1cc(C#N)ccn1 42230093 NRFPREMBWFJCEF-LLVKDONJSA-N 241.294 2.979 30 20 BFED CCN(C[C@H](C)C#N)C(=O)c1cccc(C)c1 42296328 PUOVZSYSQXKVQT-GFCCVEGCSA-N 230.311 2.617 30 20 BFED C=CCNC(=O)c1ccc(F)c(C(F)(F)F)c1 43567165 VIHYHLHFWDSGNK-UHFFFAOYSA-N 247.191 2.760 30 20 BFED CC(C)N1CC[C@@H](CNc2ccc(C#N)cc2)C1 44364664 QARYJZHPRNVYCZ-AWEZNQCLSA-N 243.354 2.700 30 20 BFED N#C[C@@H](C(=O)[C@@H]1CC=CCC1)c1ccccn1 46706174 HJJFKOPZEPFMAH-VXGBXAGGSA-N 226.279 2.614 30 20 BFED CCCN(CC#N)Cc1ccc(F)cc1F 50197852 KLKOWAXKODLOLH-UHFFFAOYSA-N 224.254 2.700 30 20 BFED C=C(C)CN(CC)CCCOCC(F)(F)F 53701959 KFDGCDBRUXJGNS-UHFFFAOYSA-N 239.281 2.853 30 20 BFED C[C@@H](C#N)NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 66633746 SVOUGCMYHWFLRO-WOPDTQHZSA-N 236.359 2.867 30 20 BFED C#CCOc1ccc(CN(CC)CC)cc1 77012397 MJLMJFOVUPYJMH-UHFFFAOYSA-N 217.312 2.540 30 20 BFED CCC1(CN/C(=N\C)NCc2ccco2)CCC1 83937284 FYPWDFDJRADKOR-UHFFFAOYSA-N 249.358 2.525 30 20 BFED CC[C@H](C#N)OC(=O)[C@@H]1CSc2ccccc21 84697026 VQOVFQURGKLSHB-MWLCHTKSSA-N 247.319 2.721 30 20 BFED N#CCC1(COc2ccc(Cl)nc2)CC1 87542885 JZMYHTKSUAWDJD-UHFFFAOYSA-N 222.675 2.808 30 20 BFED C=CCCOCCN[C@H]1CCCC1(C)C 90884059 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229.389 2.992 30 20 BFED C=CCOCCCSCCn1ccnc1C 359114442 GGTQKKKXFXXHRC-UHFFFAOYSA-N 240.372 2.517 30 20 BFED CCN(CC#N)C(=O)c1ccc(C2CCC2)cc1 359169546 CPKAQPCKLPTTHH-UHFFFAOYSA-N 242.322 2.940 30 20 BFED Cc1nn(CCCOc2ccccc2)cc1C#N 359385093 GRMVBIZQFAVYQI-UHFFFAOYSA-N 241.294 2.532 30 20 BFED C=CC[C@@H](CC)NC(=O)NC[C@@H]1CC1(C)C 359670289 AELVUSWPCKQNPY-WDEREUQCSA-N 224.348 2.686 30 20 BFED C=CC[C@H](C)NC(=O)N[C@H](C)CC(F)(F)F 362098883 QYSQIUQWGAPNIG-JGVFFNPUSA-N 238.253 2.591 30 20 BFED C#CCOCCN[C@@H]1CCC[C@H]1CCCC 381659966 FVUZQXNJAWOTQM-ZIAGYGMSSA-N 223.360 2.585 30 20 BFED CCCCCCCC(=O)N(C)[C@@H](C)C(C)(C)O 382854512 KXMLVTPXIANUKD-LBPRGKRZSA-N 243.391 2.965 30 20 BFED CC(C)(C)[C@H]1CCCN(c2nccc(C#N)n2)C1 408455219 CSONARYGTAPJMP-NSHDSACASA-N 244.342 2.611 30 20 BFED C=CCN(Cc1ccccc1)[C@H](C)C(=O)OCC 411139917 YURLUAPNPQDBED-CYBMUJFWSA-N 247.338 2.626 30 20 BFED C=C(C)C[C@@H](C)C(=O)NC[C@H]1CC12CC2 416051460 SCKXNMSQSWKTAA-GHMZBOCLSA-N 207.317 2.505 30 20 BFED 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CC(C)(C#N)CCCOC(=O)Cc1ccco1 784200919 PYLFBEGISPRMTO-UHFFFAOYSA-N 235.283 2.695 30 20 BFED COCCON=C(C)c1csc(Cl)c1 787156911 AKJOOMKUMJBPIA-UHFFFAOYSA-N 233.720 2.789 30 20 BFED CCCCNN=Cc1c(O)ccc(Cl)c1F 790157417 BZVBEQKLJSIYJK-UHFFFAOYSA-N 244.697 2.908 30 20 BFED C[C@@H]1CCC[C@H](C=NNc2nccn2C)C1 790299253 AEVOATHVRDMCAO-MNOVXSKESA-N 220.320 2.644 30 20 BFED C[C@H]1CCC(=NNc2nccn2C)[C@@H](C)C1 790305952 RFKSUZQETBGYJB-UWVGGRQHSA-N 220.320 2.644 30 20 BFED COc1ccccc1C=NNc1ncccc1F 794989783 CWPJYCKQOTXGMY-UHFFFAOYSA-N 245.257 2.675 30 20 BFED Cc1ccc(C(=O)N[C@H](C)C2CCC2)cc1C#N 799355218 NZNNCCASKJCFPW-LLVKDONJSA-N 242.322 2.785 30 20 BFED C=CCNC(=S)NNc1c(C)cccc1CC 799508770 HZMPTJNBPOIGIJ-UHFFFAOYSA-N 249.383 2.534 30 20 BFED C[C@H](C#N)OCCSCCC(C)(C)C#N 802752802 XXQNDXRODCZSQR-SNVBAGLBSA-N 226.345 2.588 30 20 BFED CC[C@@H]1CCC1=NNc1nccnc1Cl 807971360 RZEBSVHQNGVHKC-SSDOTTSWSA-N 224.695 2.718 30 20 BFED CCc1ccc(C=NN[C@@H]2CCSC2)s1 808000587 QRBSLWLNPVUBEZ-SECBINFHSA-N 240.397 2.740 30 20 BFED COc1ccncc1CON=Cc1cccs1 808244963 QVZHHUAAJLHDIW-UHFFFAOYSA-N 248.307 2.702 30 20 BFED C#Cc1ccc(CN(CC)CCC)cc1 809539472 TUXWQANPQSTKQH-UHFFFAOYSA-N 201.313 2.900 30 20 BFED N#CCC1(COC(=O)C2(F)CCCCC2)CC1 810598712 BCKCXXFCHRCOKO-UHFFFAOYSA-N 239.290 2.896 30 20 BFED C#CCON=C1CCCOc2c(Cl)cccc21 812233445 RZTJQAGTNUXADO-UHFFFAOYSA-N 249.697 2.867 30 20 BFED CC(=NOCCC1CC1)c1cncc(C)c1 814245720 FMKVXNFSSLUROJ-UHFFFAOYSA-N 218.300 2.931 30 20 BFED CC(C)(C)c1ncc(C=NOCC2CC2)cn1 814940954 ILEZGFSTGACJGG-UHFFFAOYSA-N 233.315 2.535 30 20 BFED CC(=NNC1CCCC1)c1ccncc1Cl 817326428 OYKGSRADCKCLKU-UHFFFAOYSA-N 237.734 2.991 30 20 BFED Cc1cc(F)c(C=NNCC(C)C)c(F)c1 819812207 KOIRUILWTBOZRC-UHFFFAOYSA-N 226.270 2.853 30 20 BFED C=C(C)CCNC(=O)C1(OC)CCCCCC1 821407414 NEJSRZNHAIIGEW-UHFFFAOYSA-N 239.359 2.808 30 20 BFED CCC[C@@H](C)c1noc([C@H](N)CCCC#N)n1 822770613 GKTVHBSDSMZFQX-NXEZZACHSA-N 236.319 2.667 30 20 BFED CC(C)C[C@@H](C#N)NC(=O)c1ccc(CF)cc1 825417226 JIPOCWUTYOMEQN-ZDUSSCGKSA-N 248.301 2.824 30 20 BFED Cc1ccnc(NN=C2CCOC3(CCC3)C2)c1 834964609 OFNBYIZPYWSPNG-UHFFFAOYSA-N 245.326 2.891 30 20 BFED CCCC(=NN(C)CCOC)C1CCCC1 834977968 SMWBLIUYSQYEQY-UHFFFAOYSA-N 226.364 2.911 30 20 BFED CCC(=NOC(C)C)c1c(C)nn(C)c1C 835001157 VCQXXRYVSYAUNW-UHFFFAOYSA-N 223.320 2.576 30 20 BFED CC(C)(C)C1CCC(C=Nn2ccnn2)CC1 835010476 ASWKGSXAJMMCLG-UHFFFAOYSA-N 234.347 2.965 30 20 BFED C=C[C@H](C)OC(=O)c1cc(C)n(C(C)C)n1 835329159 YSHUKNSPTUCTRV-JTQLQIEISA-N 222.288 2.504 30 20 BFED C#CCC1(OC(=O)C[C@@H]2CC[C@H]3C[C@H]23)CCC1 835367609 XLJFSMJKXSPBJZ-AVGNSLFASA-N 232.323 2.912 30 20 BFED C=CCOCC(=O)O[C@@H](C)CC(C)(C)C 835706099 PUHUPQIIAPTYGB-JTQLQIEISA-N 214.305 2.557 30 20 BFED C#Cc1ccc(C(=O)N[C@H](C)CC(C)(C)C)nc1 837229383 ZCLCVNYJECRTME-LLVKDONJSA-N 244.338 2.617 30 20 BFED Oc1cccc(C=NOCc2ccccc2)c1 839418808 AYOIIAKBFBDYDN-UHFFFAOYSA-N 227.263 2.943 30 20 BFED C#CCOc1ccccc1OCC1(OC)CCC1 842028657 UHULEUAKXTYZFE-UHFFFAOYSA-N 246.306 2.647 30 20 BFED CCC(=NN(CC)CCO)C1CCCCC1 842534716 DRJNRHCRTBSHDZ-UHFFFAOYSA-N 226.364 2.647 30 20 BFED C#CCOCSc1ccc(C#N)c(C)c1 842635631 QMZMLYPKZLWWTQ-UHFFFAOYSA-N 217.293 2.566 30 20 BFED C#CC1CCN(C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 843699787 XFSFVEPBNGVLLY-VNHYZAJKSA-N 247.382 2.931 30 20 BFED C=C[C@@H](C)ONC(=O)NC[C@@H]1CCCC1(C)C 845619559 LGPVRJFORZNLNV-MNOVXSKESA-N 240.347 2.618 30 20 BFED C=C[C@H](C)ONC(=O)N1CCC[C@@H](CCC)C1 845628321 BPZMAQUXBVFGGI-NWDGAFQWSA-N 240.347 2.714 30 20 BFED C=C[C@@H](C)ONC(=O)C1(Cc2ccccc2)CC1 846545205 FLHUNOQMILRFJL-GFCCVEGCSA-N 245.322 2.632 30 20 BFED C=C[C@@H](C)ONC(=O)c1cc(F)c(C)cc1F 846549840 ZVHBJCYTAZMFTA-MRVPVSSYSA-N 241.237 2.509 30 20 BFED C/N=C(/NCCCC1CCCCC1)NC1CC1 849026804 HYZHMPRONMQSMA-UHFFFAOYSA-N 237.391 2.674 30 20 BFED C[C@H](CC(C)(C)C#N)OC(=O)C1(C)CC1 851209483 LPZWWYSDSQMYAM-SECBINFHSA-N 209.289 2.658 30 20 BFED C#CCCCCC(=O)OC[C@@H]1C[C@@H]2C[C@@H]2C1 851417483 ZVYGSDJROJHFJN-XYYAHUGASA-N 220.312 2.769 30 20 BFED CCN(Cc1cnc(Cl)s1)[C@H](C)C#N 852640348 XHQAQERRAINFNY-SSDOTTSWSA-N 229.736 2.530 30 20 BFED C#CCOCCOc1cccc2nc(C)ccc12 853687639 XTBZTRJAFOOQTP-UHFFFAOYSA-N 241.290 2.572 30 20 BFED C=CCCSCCNC(=O)C=C1CCC1 855383627 CCZUMQKVYBKRKG-UHFFFAOYSA-N 225.357 2.522 30 20 BFED Cc1ccccc1C[C@H](C)C(=O)O[C@@H](C)C#N 859783944 ARANSGAVIQJFTI-RYUDHWBXSA-N 231.295 2.629 30 20 BFED CCCCCCCNC(=O)c1ocnc1C 862358801 WGTDZOPZGMMZAU-UHFFFAOYSA-N 224.304 2.683 30 20 BFED CC(C)[C@@H](C=NN1CCOC1=O)c1ccccc1 863160993 GHLQIYNNZUZIEB-CYBMUJFWSA-N 246.310 2.864 30 20 BFED C=C(C)CN(C)C(=O)Nc1noc2c1CCCC2 864266637 DEKXHHOUYGDJCG-UHFFFAOYSA-N 249.314 2.593 30 20 BFED CCCCCC(C)(C)C(=O)Nc1n[nH]cc1C#N 868911946 SQUXBQVFGBLMKD-UHFFFAOYSA-N 248.330 2.826 30 20 BFED Fc1ccc(Cl)cc1C=NN1CCC1 872397839 XUYYANQEOISYDO-UHFFFAOYSA-N 212.655 2.519 30 20 BFED C=CCCCC[C@@H](C)N[C@H]1C[C@@H](C(=O)O)C1 874045513 YRLFJQIKJWHSNE-UTUOFQBUSA-N 225.332 2.574 30 20 BFED CCCCCCCNC(=O)N(C)C[C@@H](C)C#N 875765356 LRDBCHWTEIRTKC-LBPRGKRZSA-N 239.363 2.758 30 20 BFED C#CCCCCCCNC[C@@H]1CCCN1CC 876881966 VIRICSUNNQAIFA-HNNXBMFYSA-N 236.403 2.644 30 20 BFED C=C[C@@H]1CCCCN1C(=O)c1cc(C)co1 879801595 QCSDXXRUJWRHNU-LLVKDONJSA-N 219.284 2.769 30 20 BFED C=C1CCN(C(=O)NCCCC(C)C)CC1 891876331 OSUDSQQYEKLNCS-UHFFFAOYSA-N 224.348 2.784 30 20 BFED C=CC(C)(C)CC(=O)OCc1ccns1 893122979 XKXHAMLTWSXLIG-UHFFFAOYSA-N 225.313 2.789 30 20 BFED C=C(C)CCNc1cc(C)cc(C#N)n1 894052334 ASXDJNYTOMXILL-UHFFFAOYSA-N 201.273 2.640 30 20 BFED Cc1cc(CN(C)CC(C)(C)C#N)cnc1F 894610746 PKERKSZVYMLRTR-UHFFFAOYSA-N 235.306 2.511 30 20 BFED CC(=NNC[C@@H](C)O)c1csc2ccccc12 901248062 PYINKWNACJEWAZ-SECBINFHSA-N 248.351 2.596 30 20 BFED Cc1nn(C(C)C)c(C)c1C=NOC(C)C 901250516 URSFTQCHOVURGE-UHFFFAOYSA-N 223.320 2.840 30 20 BFED CCc1ccc(C(=O)/C=C/c2cncn2CC)o1 901481211 KVBOVXXFMZQGNM-FNORWQNLSA-N 244.294 2.955 30 20 BFED C=C(C)CN(CC)C(=O)Nc1ccccc1CN 904661341 XTFPZNRFHQNQOM-UHFFFAOYSA-N 247.342 2.575 30 20 BFED C=C[C@](C)(CC)C(=O)NN1[C@@H](C)CCC[C@H]1C 907996181 IRLXTKPFIFCCMI-MBNYWOFBSA-N 238.375 2.883 30 20 BFED C[C@H](NN=Cc1cccn1C)c1ccccc1 920386208 UDWHBBUEMPPTON-LBPRGKRZSA-N 227.311 2.710 30 20 BFED Cc1noc(C)c1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 926616532 SRJJHUIYSPIUPS-JFUSQASVSA-N 233.315 2.634 30 20 BFED C[C@@H](CC(C)(C)C#N)Nc1cnn(CCF)c1 926752525 AHXNBZGUOIEQMX-JTQLQIEISA-N 238.310 2.593 30 20 BFED C=CCCCCCN1C[C@H]2CCN(C)C[C@H]2C1 931436994 MFCBPEFVKKCTIQ-CABCVRRESA-N 236.403 2.616 30 20 BFED C#CCCN[C@H](CC)c1cc(F)ccc1OC 932468066 GXGHIRJVKQZCDH-CYBMUJFWSA-N 235.302 2.898 30 20 BFED C[C@]1(C#N)CCCN(CCc2ccc(F)cc2)C1 1120039859 MLLQZVLJLHQCDS-OAHLLOKOSA-N 246.329 2.994 30 20 BFED C=CC(C)(C)COC(=O)/C=C/c1nccs1 1122874474 NLDSSQXJPDTXPC-AATRIKPKSA-N 237.324 2.912 30 20 BFED C#C[C@H](NC(=O)CCC(=C)C)c1ccccc1 1262789678 OHNOXVRWJAFHKY-AWEZNQCLSA-N 227.307 2.833 30 20 BFED CC#CCSCc1cc(OC)cc(C)n1 1320390318 VLZGSJHWHWWMAU-UHFFFAOYSA-N 221.325 2.655 30 20 BFED C=CC(C)(C)C(=O)N1CCC2(CCCC2)C1 1325165148 GQERFQWPZCWYKE-UHFFFAOYSA-N 221.344 2.991 30 20 BFED C#CCN(CC1CC1)C(=O)/C=C/C1CCCC1 1332450807 QPFBZJDUOCEHSY-MDZDMXLPSA-N 231.339 2.605 30 20 BFED CC1=CCC[C@@H](C)[C@H]1C=Nn1nnc(C)c1C 1336983486 XTRLRXQXEOVGGK-MFKMUULPSA-N 232.331 2.721 30 20 BFED C=C(CC)C(=O)N[C@@H](C)Cc1ccsc1 1346306606 PGTPINRYSOIUER-JTQLQIEISA-N 223.341 2.762 30 20 BFED CCC#CCOC(=O)c1cc(Cl)ncc1C 1347261649 CXZBVGRCNONHMY-UHFFFAOYSA-N 237.686 2.614 30 20 BFED CC[C@H](C#N)N(CC)C(=O)[C@@H](C)c1ccccc1 1355088549 LRNIWWGAZUXPMU-GXTWGEPZSA-N 244.338 2.941 30 20 BFED C=C(CC)C(=O)NCc1ccc(C)cc1OC 1528024104 MYJWZPLHFKUKRT-UHFFFAOYSA-N 233.311 2.586 30 20 BFED C=C(C)[C@H](C)OC(=O)c1cccc(C(=O)O)c1 1588530387 ZWTKUKTXIQZQAX-VIFPVBQESA-N 234.251 2.506 30 20 BFED C=CC[C@H]1CCN1Cc1ccc(C(=O)O)s1 1588772818 NNEAZRWAEJORAE-VIFPVBQESA-N 237.324 2.597 30 20 BFED CCSCc1cccc(C(=O)O)c1C#N 1597264881 BPNFSWBELCMDJF-UHFFFAOYSA-N 221.281 2.510 30 20 BFED C=CC[C@H](C(=O)O)N1CCC2(CCCC2)CC1 1602835599 SZBPIOCNCJOAPA-GFCCVEGCSA-N 237.343 2.672 30 20 BFED CNc1ccc(C)cc1CN(C)C[C@@H](C)C#N 1658521565 KLGURUIUWGPEBD-LBPRGKRZSA-N 231.343 2.628 30 20 BFED N#CCOc1ccc(NC(=O)C2CCCC2)cc1 23150648 JVDLVMASGSUHLK-UHFFFAOYSA-N 244.294 2.718 30 20 BFED Cc1ccc(C(=O)/C=C\c2cccnc2)c(O)c1 33723081 QBKXAQUHFBHJQE-ALCCZGGFSA-N 239.274 2.992 30 20 BFED C[C@H](C1CC1)N(C)CCOc1ccc(C#N)cc1 35207512 QEPCRHMDTLTJOY-GFCCVEGCSA-N 244.338 2.667 30 20 BFED CCN(CCCC#N)c1ccc(F)cc1 49900052 GYNZTUDNOXDUGV-UHFFFAOYSA-N 206.264 2.956 30 20 BFED CC#CCOc1ccc(F)cc1Br 51663861 KJJJUQGCRFHSOI-UHFFFAOYSA-N 243.075 2.990 30 20 BFED C[C@@H]1CCC[C@H](Nc2ccnc(C#N)c2)C1 61811642 GHWFTEJEYQYIAH-MNOVXSKESA-N 215.300 2.944 30 20 BFED COC[C@@H](C)CNc1ccc(C#N)cc1Cl 62791152 UBDZTGKGHQDRPH-VIFPVBQESA-N 238.718 2.906 30 20 BFED CCCCS(=O)(=O)/N=C(\O)C(CC)CC 69574665 XVJYSYLQAXTRAD-UHFFFAOYSA-N 235.349 2.509 30 20 BFED C#CCCN(Cc1ccccc1)C(C)C 70159656 WHPBUXHRGVYWMS-UHFFFAOYSA-N 201.313 2.920 30 20 BFED CO[C@]1(C)C[C@H](Nc2ccc(C#N)cn2)C1(C)C 75064476 WRARMZWIPSJTOJ-SMDDNHRTSA-N 245.326 2.569 30 20 BFED 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CC[C@H](C#N)C(=O)N[C@H]1C[C@H](c2ccccc2)C1 593681114 LHPXONFWPDRBGH-MRVWCRGKSA-N 242.322 2.599 30 20 BFED CC[C@@H](CC#N)NC[C@H](Cc1ccccc1)OC 594008268 JFRQJMFSZNPMRO-GJZGRUSLSA-N 246.354 2.526 30 20 BFED CC[C@@H](C#N)N(C)C(=O)CCc1cccc(C)c1 594092480 FMKLNBXRLIXNTO-AWEZNQCLSA-N 244.338 2.688 30 20 BFED C=CCCCCCN(C)c1ccnc(C#N)n1 594552559 DAFRMICNJDYWFV-UHFFFAOYSA-N 230.315 2.531 30 20 BFED CCC(CC)Sc1cc(C#N)cnn1 596101211 DVQPZYLODJCGOM-UHFFFAOYSA-N 207.302 2.629 30 20 BFED C=CCCSCCNc1nc(C)ccc1C#N 596413800 XCYLULOIAKKMPW-UHFFFAOYSA-N 247.367 2.983 30 20 BFED CCO[C@@H](CC)c1noc(CC(C)(C)C#N)n1 596622017 SKWMOVVVPPMVHS-VIFPVBQESA-N 237.303 2.649 30 20 BFED N#CCC(=O)Nc1cccc(NC2CCCC2)c1 601680653 VNGLUNROXZJHAQ-UHFFFAOYSA-N 243.310 2.893 30 20 BFED CCC(C#N)(CC)C(=O)N(C)c1ncccc1C 602321893 VFFRMJKMEMVPMF-UHFFFAOYSA-N 245.326 2.683 30 20 BFED C[C@H](c1ccc(C#N)cc1)n1cc(C2CC2)nn1 603226359 FXOASEKNAQPPFE-SNVBAGLBSA-N 238.294 2.636 30 20 BFED CCc1ccc([C@@H](C)C(=O)NC[C@H](C)C#N)cc1 609524199 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236.359 2.784 30 20 BFED C=CCCNC(=O)N[C@H]1C[C@H](c2ccccc2)C1 661118022 SWPKCCPCPVQZNA-HDJSIYSDSA-N 244.338 2.808 30 20 BFED CC#CCCN1CCC([C@H]2CCCCO2)CC1 661864253 ANMTUJTZMFZVST-OAHLLOKOSA-N 235.371 2.681 30 20 BFED C=C(C)CCN1CCC2(CCCC2=O)CC1 661958076 NRUYOMHDHBXXFP-UHFFFAOYSA-N 221.344 2.788 30 20 BFED C=CCC[C@H](O)CN(CCC)CC(F)(F)F 675494435 SFVMPFKGNTVZCD-JTQLQIEISA-N 239.281 2.588 30 20 BFED C=CC[C@@H](C)NC(=O)NC(C(C)C)C(C)C 676302423 OQIJKCKLSXVPCB-LLVKDONJSA-N 226.364 2.931 30 20 BFED C=CCCN(C)C(=O)C1(C(F)F)CCCC1 676686195 XEGBDLARROINKY-UHFFFAOYSA-N 231.286 2.846 30 20 BFED C[C@H](NCc1cnsc1)c1cccc(C#N)c1 687221725 BKYFTQLUCSYGCO-JTQLQIEISA-N 243.335 2.866 30 20 BFED C#C[C@](C)(CC)NCc1nc(C)sc1C 692685189 FBJUPRONUDJTHW-GFCCVEGCSA-N 222.357 2.651 30 20 BFED C=CCCOC(=O)c1ccc2c(c1)CCC2 729073740 NZROUWVTZDCTHO-UHFFFAOYSA-N 216.280 2.908 30 20 BFED CC(=NNc1cccnn1)c1cc(C)ccc1C 735973670 PJQLHMXUFQDAGG-UHFFFAOYSA-N 240.310 2.930 30 20 BFED C=CC[C@@H](NC(=O)[C@@H](C)C1CC1)c1ccncc1 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C=C(Cl)COC(=O)c1coc(C2CCC2)n1 769628572 YOZPANDRKNIOGU-UHFFFAOYSA-N 241.674 2.851 30 20 BFED C=CCN(C(=O)C=C1CCCC1)C1CC1 771827106 BNJHRUNNGBLFNC-UHFFFAOYSA-N 205.301 2.664 30 20 BFED C=C(CC)COC(=O)c1cccc(C#N)c1 773428127 GJHBFKYEXLGDDH-UHFFFAOYSA-N 215.252 2.681 30 20 BFED C=C(CC)COC(=O)[C@@H](C)Oc1ccccc1 773429598 NRXLPDWVBLJOIS-GFCCVEGCSA-N 234.295 2.963 30 20 BFED C=C(CC)COC(=O)c1ccc(O)cc1C 773540965 OUMXNPOJGXDFMI-UHFFFAOYSA-N 220.268 2.824 30 20 BFED CCOCCON=Cc1ccc(Cl)c(F)c1 774414422 HRROGQJJHDHMKF-UHFFFAOYSA-N 245.681 2.866 30 20 BFED Fc1cc(Cl)cc(C=NNC2CC2)c1 776734096 OPQPJGQSKTVTST-UHFFFAOYSA-N 212.655 2.565 30 20 BFED C[C@H]1CCCC(=NNc2ncc(F)cn2)[C@H]1C 781128429 RKEKSAADCYRAII-IUCAKERBSA-N 236.294 2.840 30 20 BFED CC(C)(C)CCNN=Cc1ccc(C#N)o1 782903183 QPTBFDHUJZSEAU-UHFFFAOYSA-N 219.288 2.511 30 20 BFED C[C@H]1OCCC1=NNc1ccc(C#N)c(Cl)c1 783878510 WQDMQFVHXDAASL-MRVPVSSYSA-N 249.701 2.788 30 20 BFED CC(C)(C#N)CC(=O)NCCSC(C)(C)C 784230529 JVOBHGDYVMIUTM-UHFFFAOYSA-N 242.388 2.574 30 20 BFED C=CC[C@H](CC)NC(=O)C=C1CCCC1 798551773 VWOCIPZKVRYLFJ-LBPRGKRZSA-N 207.317 2.958 30 20 BFED C[C@@H](C#N)OCCSc1ccccc1C#N 801657375 BUPRERMGOSIFJH-JTQLQIEISA-N 232.308 2.579 30 20 BFED CC(C)Oc1ccccc1NCCO[C@H](C)C#N 802741990 XJOWMZXBUCLVGF-GFCCVEGCSA-N 248.326 2.814 30 20 BFED CC(C)[C@H]1CC(=NNCC2CCCC2)CCO1 808007005 LDJZKOCIDJGBDP-CQSZACIVSA-N 238.375 2.957 30 20 BFED C=CCCCCOC(=O)c1cc(C2CC2)[nH]n1 811011076 MGCOAQRKAWQDPI-UHFFFAOYSA-N 234.299 2.800 30 20 BFED O=[N+]([O-])c1cccc(C=NOC/C=C/Cl)c1 811669607 QZKCGNZPOYIOAL-WAXDNIGNSA-N 240.646 2.698 30 20 BFED CCON=Cc1c[nH]nc1-c1ccc(F)cc1 812457174 GGQYWFHDBCIFMP-UHFFFAOYSA-N 233.246 2.586 30 20 BFED CC1(C)C[C@@H](NN=C2CCC[C@H](C#N)C2)CCO1 814908375 OSQFUZQOTLTQGL-AAEUAGOBSA-N 249.358 2.603 30 20 BFED C=C(C)C(C)(C)C(=O)OCC1(COC)CCC1 821146427 YCOJDEMZRXMMBW-UHFFFAOYSA-N 240.343 2.949 30 20 BFED C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1F 822700843 SDVUCDHPNYPIEB-IJLUTSLNSA-N 227.323 2.986 30 20 BFED CC(C)C#CC(=O)NC(C)(C)c1ccccc1 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BFED C=C[C@@](C)(CCOC)C(=O)N(C)CCC(C)C 188151735 IFANMAKZXFUGED-AWEZNQCLSA-N 241.375 2.720 30 20 BFED C=CCC1(C(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)CCC1 188168430 JTJGSWGRGFKKJE-VXGBXAGGSA-N 233.355 2.847 30 20 BFED N#C[C@@H]1CCC[C@@H](Nc2cccc(CO)c2)C1 194824966 VIKOVBKFTWIMJT-DGCLKSJQSA-N 230.311 2.673 30 20 BFED CCC[C@@H]1CCCCN1C(=O)[C@H](C#N)CC 213414642 NXSLNNMUKFGAMR-NWDGAFQWSA-N 222.332 2.717 30 20 BFED C=CCSCCNC(=N)Nc1ccccc1 219467908 GVOQVTBPEGGZTE-UHFFFAOYSA-N 235.356 2.542 30 20 BFED COCCC1(CNc2ccc(C#N)cc2F)CC1 225366305 WHQSNYKMSOYOMX-UHFFFAOYSA-N 248.301 2.926 30 20 BFED C#CCSCCN[C@@H]1CC[C@@H](C)[C@@H](C)C1 231747619 ASODXBAOWFWNOD-FRRDWIJNSA-N 225.401 2.767 30 20 BFED CN(CCC#N)Cc1ccc(Cl)nc1Cl 234258637 JGZVLYHMKXBJKA-UHFFFAOYSA-N 244.125 2.734 30 20 BFED N#Cc1cc(F)cc(NCCCCCCO)c1 236500657 WYBGJZGHBPOROL-UHFFFAOYSA-N 236.290 2.662 30 20 BFED COC[C@H](C#N)N[C@H](C)[C@@H](C)C1CCCCC1 248374571 ROZBIYGUBPLIHS-BZPMIXESSA-N 238.375 2.719 30 20 BFED C=C1CCN(c2cccc(F)c2C#N)CC1 264468687 MQIMQPWEJYGEBF-UHFFFAOYSA-N 216.259 2.854 30 20 BFED C[C@H](C(=O)NCc1ccc(C#N)cc1)C(C)(C)C 265318674 URACUJWKIMZRQZ-LLVKDONJSA-N 244.338 2.857 30 20 BFED C#CCCCN(CCOC)Cc1ccccc1 271067216 UUCHTYVIMKNWDT-UHFFFAOYSA-N 231.339 2.548 30 20 BFED C=CCOc1cccc(CN(CC#N)C2CC2)c1 271149511 SSEXJGLZDKEGMZ-UHFFFAOYSA-N 242.322 2.739 30 20 BFED C=C1CCN(Cc2ccc(COC)cc2)CC1 271168956 PKTFBGYSQXZWRL-UHFFFAOYSA-N 231.339 2.985 30 20 BFED C#CC(C)(C)NC(=O)Cc1c(C)cc(C)cc1C 271468862 VIXUFKVECFFYHS-UHFFFAOYSA-N 243.350 2.682 30 20 BFED C=CCCCS[C@H](C)c1nc(COC)no1 272925897 JWYRCFQUZWIFSM-SECBINFHSA-N 242.344 2.976 30 20 BFED CC(=O)c1ccc(C#N)c(N[C@H]2CC2(C)C)c1 273171635 FFUFYZPDJTUFIE-ZDUSSCGKSA-N 228.295 2.971 30 20 BFED C=CCCCCNC(=O)/C=C/c1ccco1 274514197 YKUJIBQGVBIYNG-CMDGGOBGSA-N 219.284 2.765 30 20 BFED C=C(C)CCN(C)[C@H](CO)c1ccc(OC)cc1 274785905 MGCKQFBMWBEQGO-OAHLLOKOSA-N 249.354 2.627 30 20 BFED C=CCCN(C)C(=O)c1cnn(C(C)(C)C)c1C 276355713 IESGUEUPSRWFGM-UHFFFAOYSA-N 249.358 2.595 30 20 BFED CC(C)c1occc1C(=O)N1CCC(C#N)CC1 279983557 FVWCALSEJGTGTP-UHFFFAOYSA-N 246.310 2.779 30 20 BFED CC(C)(C#N)CCNc1cccc2c1OCCO2 288732585 NWMFWIRROPGIAR-UHFFFAOYSA-N 246.310 2.810 30 20 BFED CC[C@](C)(C#N)C(=O)Oc1cccc(F)c1F 289384789 KZASGIMOXYKMEL-GFCCVEGCSA-N 239.221 2.810 30 20 BFED CCc1nnc(CSCCC(C)(C)C#N)o1 289400006 NDPHJWPWEHXBAK-UHFFFAOYSA-N 239.344 2.805 30 20 BFED C=C(C)CCn1cnc2scc(C)c2c1=O 289526921 MXQHYTHQWBFQEG-UHFFFAOYSA-N 234.324 2.733 30 20 BFED Cc1csc(C(=O)N[C@@](C)(C#N)C(C)C)c1 294383273 CATYMPAECLQJPQ-LBPRGKRZSA-N 236.340 2.725 30 20 BFED C=C(Cl)CNC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 295994961 XHFBFJCCMUVMIS-WCABBAIRSA-N 229.751 2.927 30 20 BFED N#CC1(NC(=O)CCCc2ccccc2)CCC1 299482930 CWEXQGYAJPQOKJ-UHFFFAOYSA-N 242.322 2.572 30 20 BFED Cc1ccc(CN(C)c2cccc(C#N)n2)s1 301274978 LQZJMOUQKHITMF-UHFFFAOYSA-N 243.335 2.960 30 20 BFED Cc1cc(NCc2ccc(C#N)cc2)nnc1C 302277424 IFUNAWZFXHOCQM-UHFFFAOYSA-N 238.294 2.577 30 20 BFED CCOCCCC/N=C(/N)Nc1ccc(C)cc1 303904497 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2.867 30 20 BFED C=CC1CCN(C(=O)[C@H]2CC[C@@H](C)C2)CC1 335803247 WYDHCJSXQHEGEC-YPMHNXCESA-N 221.344 2.847 30 20 BFED Cc1ccc2c(c1)CN(C(=O)CC(C)(C)C#N)C2 336162151 HOJLWKTUXDKZGH-UHFFFAOYSA-N 242.322 2.777 30 20 BFED CC1(C)CCCC[C@@H]1NCC1(C#N)CC1 336227174 ZFBWMRCVPJQNDT-NSHDSACASA-N 206.333 2.849 30 20 BFED C=CCn1cccc1C(=O)N1CCCC[C@@H]1C 336463353 ASBVWBUJGOUQPE-LBPRGKRZSA-N 232.327 2.689 30 20 BFED CN(CCC#N)c1nccc2ccc(F)cc12 336613662 DFTCZSRKHZAMNC-UHFFFAOYSA-N 229.258 2.724 30 20 BFED C=CCCOCCNC(=O)[C@H](C)CCCC 337166737 IYZDZGLRCLANCP-GFCCVEGCSA-N 227.348 2.522 30 20 BFED C=CCCC(=O)Nc1ccc(-n2ccnc2)cc1 338619011 NRQILXRYZYRZDS-UHFFFAOYSA-N 241.294 2.777 30 20 BFED CC(C)(C#N)CCSC[C@H](O)C(F)(F)F 342025689 SWYLQSNTOPUTKH-ZETCQYMHSA-N 241.278 2.583 30 20 BFED C[C@H]1CCC[C@@H](N(C)C(=O)NCCCC#N)C1 345830037 AQJZLPHAJUDSEQ-NWDGAFQWSA-N 237.347 2.510 30 20 BFED C[C@@H](CCC(C)(C)C)C(=O)N(CC#N)C1CC1 347706702 LSWMJTKAIZYIGT-NSHDSACASA-N 236.359 2.963 30 20 BFED CC[C@@H](C)CCC(=O)N[C@@](C)(C#N)C(C)C 351972529 PMRZKGBMSPEBNN-YPMHNXCESA-N 224.348 2.867 30 20 BFED Cc1ccc(CCCN2CCC(C#N)CC2)cn1 353612760 AXAZTAGPKHUNEK-UHFFFAOYSA-N 243.354 2.558 30 20 BFED C=C(CC)CSc1n[nH]c(-c2cccnc2)n1 358554189 IWMZQXBSFBVJLX-UHFFFAOYSA-N 246.339 2.925 30 20 BFED CCSCC[C@@H](C)N(C)C(=O)CCCC#N 360325679 CMWBHEWTQJKRSU-LLVKDONJSA-N 242.388 2.670 30 20 BFED COc1ccc(F)cc1CN[C@@H]1CC[C@H](C#N)C1 361119057 ZNDGDJGGHNYLPM-GXFFZTMASA-N 248.301 2.616 30 20 BFED Cc1ccsc1-c1noc(CCCC#N)n1 361273232 RZBVILYHPOZVAW-UHFFFAOYSA-N 233.296 2.953 30 20 BFED C=CCCN(C)CC1(OC)CCCCC1 361601694 KQZBPHVTJKFAOT-UHFFFAOYSA-N 211.349 2.844 30 20 BFED C=C[C@@H](C)NC(=O)c1ccc(-n2cccc2)cc1 362587776 MYPYIODCKLYEGG-GFCCVEGCSA-N 240.306 2.782 30 20 BFED C=C[C@H]1CCCCN1c1cc(CC)nc(C)n1 362852866 JNKDMPVZDWUSRF-ZDUSSCGKSA-N 231.343 2.892 30 20 BFED C[C@H]1C[C@H](c2cccnc2)N(CCCC#N)C1 370232901 ZAXLNWUEUUTUJL-GXTWGEPZSA-N 229.327 2.768 30 20 BFED N#Cc1cccnc1N1CC[C@@H](c2ccco2)C1 374007633 JIDTYLLUUPRIFY-GFCCVEGCSA-N 239.278 2.540 30 20 BFED C#CCCCCC(=O)N1CCC[C@@H](C2CC2)C1 378129889 SLVWSTUZGAVDTI-CQSZACIVSA-N 233.355 2.829 30 20 BFED C=C(C)CNCc1ccc(F)c(OC)c1 380352439 VREHQKJHAFVIFF-UHFFFAOYSA-N 209.264 2.500 30 20 BFED C#C[C@@](C)(CC)NC(=O)Nc1ccc(F)cc1 384231928 XSMVWBGQRUOJLG-ZDUSSCGKSA-N 234.274 2.749 30 20 BFED CC[C@H](C#N)C(=O)N1C[C@@H](C)c2ccccc21 398525914 ZGLSREAGFAHPID-GHMZBOCLSA-N 228.295 2.686 30 20 BFED C=CCCCCNCc1cc(OC)ns1 399055905 KARBTCGCDFVFBF-UHFFFAOYSA-N 226.345 2.598 30 20 BFED CCC[C@H](C)CC(=O)N(C)[C@H](C#N)CCC 410830283 UOCNFUJJQVZEHL-RYUDHWBXSA-N 224.348 2.963 30 20 BFED C=CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 411172265 ZNANZUVDGQTDLW-NWDGAFQWSA-N 235.714 2.746 30 20 BFED CC(C)c1ncc(CN(C)[C@H](C)CCC#N)cn1 411670349 GLHPOTVSMKQJSV-GFCCVEGCSA-N 246.358 2.724 30 20 BFED C=CCC[C@H](N[C@H](C)CCCCN)C1CC1 423443203 VNNZPGNQPHPLLI-OCCSQVGLSA-N 224.392 2.838 30 20 BFED N#CCCNC(=O)Nc1ccccc1C(F)F 425701205 KZIWUZFBHNTMOD-UHFFFAOYSA-N 239.225 2.659 30 20 BFED C=CCN(C)C(=O)c1cccc(F)c1SC 436120934 XCGKIXHYMYFYRU-UHFFFAOYSA-N 239.315 2.806 30 20 BFED CCc1noc(CC)c1CN[C@H]1CC[C@H](C#N)C1 442784581 SARDFQILOWSAEL-QWRGUYRKSA-N 247.342 2.581 30 20 BFED CC[C@@H](CC#N)NC(=O)C1(CC(C)C)CC1 442879612 BAAGXUXZSYKWCX-NSHDSACASA-N 222.332 2.621 30 20 BFED C=CCCCN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 448025299 CPODGMMARUWOOF-MGPQQGTHSA-N 235.371 2.890 30 20 BFED C=CCN(CC=C)C(=O)Cc1cc(C)ccc1F 448564443 HBPLLQFWHGOWQJ-UHFFFAOYSA-N 247.313 2.877 30 20 BFED C=CC[C@H](C)[C@@H](C)NC[C@](C)(CC)OC 449470164 ADQAEGAAWKRRJG-XQQFMLRXSA-N 213.365 2.992 30 20 BFED CC(C)[C@@H]1C[C@H]1CN[C@@H]1CCC[C@H](C#N)C1 449559551 ZULXBLXTBTUOGU-FQUUOJAGSA-N 220.360 2.950 30 20 BFED C[C@H]1C[C@]1(C#N)C(=O)N1CC[C@@H](C)C2(CCC2)C1 450372475 PIFLVIDVVQDHBR-TYNCELHUSA-N 246.354 2.575 30 20 BFED N#CC[C@@H](O)CSc1cc(Cl)ccc1F 450958119 IIWOMYLSIBPBBT-MRVPVSSYSA-N 245.706 2.846 30 20 BFED C=CCC1(C(=O)N[C@@H](C)CF)CCCC1 451790344 YRDGMDDSMHVVFD-JTQLQIEISA-N 213.296 2.597 30 20 BFED C=C(C)CCNC(=O)[C@@H](c1cccnc1)C(C)C 452720984 YRCMXWHSGIHSQC-CQSZACIVSA-N 246.354 2.904 30 20 BFED C=C(C)CCNC(=O)c1cc(C)n(CC)c1C 452722494 KCSPIAQNWAYDDO-UHFFFAOYSA-N 234.343 2.821 30 20 BFED C=C(CC)CNC(=O)COc1c(C)cccc1C 453013241 KFGPMHDEINQUDQ-UHFFFAOYSA-N 247.338 2.765 30 20 BFED C=C[C@@H](C)N[C@H](C)CCCc1cccnc1 453151992 YPHXLYCKNYPKDC-CHWSQXEVSA-N 218.344 2.957 30 20 BFED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1CF 454811234 OKGBWNHIMOWJNR-NWDGAFQWSA-N 242.338 2.875 30 20 BFED CN(CCC#N)CC1CCC(F)(F)CC1 459346155 PKPIVINWIZBTCE-UHFFFAOYSA-N 216.275 2.657 30 20 BFED C=CCCCCNC(=O)CC[C@@H]1CC[C@H](C)O1 471719243 ZJPCBRNFYPCZMO-STQMWFEESA-N 239.359 2.807 30 20 BFED C=CCCCCNC(=O)N1C[C@@H]2[C@@H](C1)C2(C)C 472841111 NFUJGLOXXTYYMR-VXGBXAGGSA-N 236.359 2.640 30 20 BFED C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 488958752 XVUBZRXTRQKGRR-AVGNSLFASA-N 244.338 2.593 30 20 BFED C=CCN(C)C(=O)[C@H](C)c1cccc(C)c1 490973140 ROMCDUWSYWYXTF-GFCCVEGCSA-N 217.312 2.743 30 20 BFED C#C[C@H](C)N(C)C(=O)Nc1c(C)cccc1C 491566894 INSBOGQMLPSYJK-LBPRGKRZSA-N 230.311 2.789 30 20 BFED C#C[C@@H](CC)NC(=O)[C@H](c1ccccc1)C(C)C 491802900 HMAJWYTZMZEKDG-GJZGRUSLSA-N 243.350 2.954 30 20 BFED CC#CCCNC[C@@H](C)c1ccc(OC)cc1 499214349 WJRGSHILNKULLL-CYBMUJFWSA-N 231.339 2.802 30 20 BFED CCCCS[C@@H](C)C(=O)N[C@@H](C#N)CCC 522582950 BAMAVYZLMBHBPP-WDEREUQCSA-N 242.388 2.717 30 20 BFED C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ncccc1F 528034990 CLKTUASUZPAAEY-TUAOUCFPSA-N 247.317 2.954 30 20 BFED N#CCCCN1CCOc2c(Cl)cccc21 531871558 GWGAFULRVDUBFO-UHFFFAOYSA-N 236.702 2.843 30 20 BFED C=CCN1CCCN(C)c2cc(F)ccc21 533393900 MVMWCJJTTIDZDL-UHFFFAOYSA-N 220.291 2.658 30 20 BFED C=CCC(C)(C)CNC(=O)N1CCC[C@H](F)C1 572966155 LUBUTEIZIDHGFL-NSHDSACASA-N 242.338 2.732 30 20 BFED CC[C@](C)(C#N)NC(=O)c1cccc(C2CC2)c1 578761381 DNPOKPCVFWYLDG-OAHLLOKOSA-N 242.322 2.986 30 20 BFED N#CCCCC(=O)N1CCCc2c(F)cccc21 583968802 MVTHMFHUPVRRGM-UHFFFAOYSA-N 246.285 2.799 30 20 BFED N#Cc1cnccc1N1CC[C@@H](C2CCC2)C1 591204296 QAMOQNJQJVOVRW-GFCCVEGCSA-N 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776105186 UDVBRRMYJQQZOU-SECBINFHSA-N 247.250 2.655 30 20 BFED N#CCSCC(=O)OCC1CCCCCC1 781480612 CABRWRJIBDGVAM-UHFFFAOYSA-N 241.356 2.757 30 20 BFED Cc1cccnc1C=Nn1cnc2ccccc21 781586052 FFSLMISMXUACGH-UHFFFAOYSA-N 236.278 2.622 30 20 BFED N#CCC1(OC(=O)c2cccc(C#N)c2)CCC1 788144688 IMBWQJNDGZBOLO-UHFFFAOYSA-N 240.262 2.551 30 20 BFED CC(CC1CCC1)=NNCCc1ccncc1 789092939 ACRALUJKFWJQTJ-UHFFFAOYSA-N 231.343 2.780 30 20 BFED C=C(Cl)CN(C)Cc1ccn(CC)c1 792314672 YYJXBSFXPXNJDY-UHFFFAOYSA-N 212.724 2.692 30 20 BFED CCN1CCC(=NN[C@@H](C)C(C)(C)C)[C@H](C)C1 793111829 MCXVTOVZZAVACZ-NEPJUHHUSA-N 239.407 2.728 30 20 BFED C[C@H]1CCC(=NNc2ncncc2F)[C@@H](C)C1 793214098 CSVKUVQNMVBXJY-IUCAKERBSA-N 236.294 2.840 30 20 BFED CC(C)C[C@H]1CCCC(=NN[C@H](C)CO)C1 794520262 QIGGQXIVCHCJAM-VXGBXAGGSA-N 226.364 2.549 30 20 BFED O=c1ccccn1N=Cc1ccc(C(F)F)cc1 794525804 ADQVZSATIOPADR-UHFFFAOYSA-N 248.232 2.668 30 20 BFED CC(C)n1nccc1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 794526126 HQCVSSPNPSUEGN-SGMGOOAPSA-N 246.358 2.576 30 20 BFED COCCN(C)N=Cc1csc2ccccc12 794969486 YFBMVRQREPUTIB-UHFFFAOYSA-N 248.351 2.813 30 20 BFED COCCCON=C(C)CSC(C)(C)C 795056393 ZNTJZISRROGNEJ-UHFFFAOYSA-N 233.377 2.947 30 20 BFED C=CCN1CC[C@@H](SC/C(C)=C/Cl)C1=O 798372476 LZFSPWZXGWFXFK-TTZKWOQHSA-N 245.775 2.649 30 20 BFED C=CCCOC(=O)[C@H]1CCCC(F)(F)C1 800279621 JVWPVMULVHZHDJ-VIFPVBQESA-N 218.243 2.931 30 20 BFED Cc1cccc(C(C)(C)NCCO[C@@H](C)C#N)c1 801939445 PAHHWXQBAMKCDI-ZDUSSCGKSA-N 246.354 2.748 30 20 BFED CC#CC(=O)Nc1csc(-c2ccccc2)n1 804822610 AASOIOZPADEKJX-UHFFFAOYSA-N 242.303 2.772 30 20 BFED Cn1c(Cl)cnc1/C=C/c1ccc(C#N)cn1 806566500 IPKUNVPRKNQLGD-SNAWJCMRSA-N 244.685 2.511 30 20 BFED CC[C@@H]1CC(=NNCC2CCCC2)CCO1 808007119 QLYRNSUKEBNHQX-CYBMUJFWSA-N 224.348 2.711 30 20 BFED C#Cc1ccccc1CC(=O)NCCCC1CC1 810422492 PYGWXMYGHYBNDJ-UHFFFAOYSA-N 241.334 2.517 30 20 BFED CCO[C@H]1CC(=NOCCOC(C)C)C1(C)C 812239969 HYSAVUQQBXUXKS-LBPRGKRZSA-N 243.347 2.619 30 20 BFED CC(C)OCCON=C[C@@H]1C[C@H]2C=C[C@H]1C2 812240560 UUAKBESYDGRDBW-AVGNSLFASA-N 223.316 2.626 30 20 BFED C#Cc1cncc(C(=O)N(CC)CC(C)(C)C)c1 812756165 RANWHZZWMYPQTO-UHFFFAOYSA-N 244.338 2.571 30 20 BFED C=CCCCOC(=O)[C@@H](C)C(C)(F)F 815489739 CMBRVRVLRNPNKU-MRVPVSSYSA-N 206.232 2.787 30 20 BFED C#C[C@H](C)NC(=O)N1CCC[C@H](C)[C@H]1CCC 820429465 WPKRMRSDTBHEBH-RWMBFGLXSA-N 236.359 2.618 30 20 BFED N#Cc1cccc(CC(=O)OCC2=CCCC2)c1 828897823 CQHOYIDVXYWXOX-UHFFFAOYSA-N 241.290 2.754 30 20 BFED N#Cc1c(F)cccc1OC(=O)OC1CCC1 830950587 HUXWCRSZGVXAIZ-UHFFFAOYSA-N 235.214 2.765 30 20 BFED C#CCSCCN[C@@H](C1CCCC1)C1CC1 834669208 UBAMBQGUXGAKBV-AWEZNQCLSA-N 237.412 2.911 30 20 BFED CCC(CC)NN=Cc1cc(F)cc(OC)c1 834959264 IBQQJHPRQGTJCB-UHFFFAOYSA-N 238.306 2.946 30 20 BFED CO[C@@H]1CC(=NOC/C=C/Cl)C12CCC2 834980411 YCEPNOYMGZJHDU-LPGVQLBOSA-N 229.707 2.701 30 20 BFED C[C@@H]1CCCCC1=NN[C@H]1CCOC1(C)C 835015477 QQXHFROWWAAHKL-PWSUYJOCSA-N 224.348 2.710 30 20 BFED CC[C@@H]1CCC[C@@H]1C(=O)O[C@H](C#N)C(C)C 835125650 XJPLWDDCIKHMPV-GRYCIOLGSA-N 223.316 2.904 30 20 BFED C#C[C@@H](CC)OC(=O)C1(C(F)(F)F)CCC1 835307812 BDDHAQMHTRFTDP-QMMMGPOBSA-N 234.217 2.674 30 20 BFED CC(=O)c1ccc(NC(=O)C#CC(C)(C)C)cc1 837319564 IDHGFRIIFSZKHT-UHFFFAOYSA-N 243.306 2.877 30 20 BFED C[C@@H](NC(=O)C#CC1CC1)c1c(F)cccc1F 837333676 CDXGPPLSPUOWOA-SECBINFHSA-N 249.260 2.555 30 20 BFED O=C(C#CC1CC1)OCc1ccc(CF)cc1 838366383 BWXKUIYINRQVLH-UHFFFAOYSA-N 232.254 2.613 30 20 BFED C#CCC[C@@H](C)OC(=O)c1cccc(COC)c1 839034016 LBYXOTNPHWHVRR-GFCCVEGCSA-N 246.306 2.792 30 20 BFED CCc1ccccc1NN=Cc1cc(C)nn1C 841618467 UTAKKUPSXGPALK-UHFFFAOYSA-N 242.326 2.737 30 20 BFED C#CC[C@H](N[C@H]1COC(C)(C)C1)c1ccccc1 841867397 SJYZSSULVUZZQF-CABCVRRESA-N 243.350 2.908 30 20 BFED C=C(C)CONC(=O)NC[C@H]1CCCC[C@@H]1C 845594744 MJYHNEPRUBCMHJ-NWDGAFQWSA-N 240.347 2.620 30 20 BFED C=C[C@H](C)ONC(=O)N(C)[C@@H]1CCC[C@H](C)C1 845633975 QHWFHQPYTWHWIN-SDDRHHMPSA-N 240.347 2.713 30 20 BFED C=CCN(CCC#N)Cc1cccc(CC)c1O 848913300 TWNVCFPNMHTMEY-UHFFFAOYSA-N 244.338 2.856 30 20 BFED C#CCOCCN(C)C/C(C)=C/c1ccccc1 851983923 FQTRYGBIOGQAAD-FYWRMAATSA-N 243.350 2.672 30 20 BFED C[C@H]1CCCCN1N=Cc1ccc(C#N)cc1 853378902 KOIDJYALFHPPRQ-LBPRGKRZSA-N 227.311 2.767 30 20 BFED CCc1ncc(C=NN2CCCC[C@@H]2C)s1 853380241 RCCURHBQJHVLJJ-JTQLQIEISA-N 237.372 2.914 30 20 BFED COc1ccccc1C=NN1CCCC[C@H]1C 853380682 YBZZVBZLCOFXBK-GFCCVEGCSA-N 232.327 2.904 30 20 BFED CC[C@](C)(C#N)C(=O)OCc1cnc(C2CC2)o1 861377092 OJUWUUVQODIKNP-CYBMUJFWSA-N 248.282 2.535 30 20 BFED Fc1ccccc1CCNN=C1CCC[C@H]1F 872358479 FKZOQEAGPAJPCU-GFCCVEGCSA-N 238.281 2.836 30 20 BFED C=CCC(C)(C)C(=O)N[C@@H]1CC12CCC2 874779080 WNAGKWDQOSNKQH-SNVBAGLBSA-N 207.317 2.648 30 20 BFED CC[C@@H](C)C(=O)Nc1cc(C#N)c(F)cc1F 876343735 DMGBIFYNJNPPIH-SSDOTTSWSA-N 238.237 2.821 30 20 BFED C=C1CCC(C(=O)OCCSC)CC1 885652019 MEBSUOFLADKLIJ-UHFFFAOYSA-N 214.330 2.639 30 20 BFED C=CCCCN(C)[C@H](CO)c1ccccc1C 886433853 VSHRCSLFNKHORI-OAHLLOKOSA-N 233.355 2.926 30 20 BFED C=CC[C@@H](C)NCc1c(C)noc1CC 892949617 ALFKRDZRBSPSEM-SECBINFHSA-N 208.305 2.600 30 20 BFED C#C[C@H](NCc1c(C)nn(C(C)C)c1C)C(C)C 894387786 VSHAKHYMABKJLL-HNNXBMFYSA-N 247.386 2.828 30 20 BFED C#CCN(CC#N)Cc1cccc(Cl)c1C 897164219 MCZIORCEWZFAKU-UHFFFAOYSA-N 232.714 2.607 30 20 BFED C#CCCCN[C@@H](C(C)C)C(F)(F)F 901413616 YFQOMPNCANJERQ-VIFPVBQESA-N 207.239 2.576 30 20 BFED C=CCN(CC(=O)O)C[C@@H]1C(C)=CCC[C@@H]1C 901585728 CMKHGFMJMGVVCF-QWHCGFSZSA-N 237.343 2.551 30 20 BFED N#CC1(CCSC2COC2)CCCCC1 901634928 VWZISCINEYOZPL-UHFFFAOYSA-N 225.357 2.983 30 20 BFED C=CC[C@H](NC/C(C)=C\c1ccccc1)C(=O)O 901678051 NWERLTSCXISJHH-HCYCVZQXSA-N 245.322 2.709 30 20 BFED C=CC[C@H](CC)N[C@@H]1CC[C@H](C(=O)O)[C@H](C)C1 902262373 IRUUAHDAFRBKDF-XQHKEYJVSA-N 239.359 2.820 30 20 BFED CCC[C@H](C)N(C)C(=O)c1ccsc1C#N 902563840 VHBLDYLOKHQGOY-VIFPVBQESA-N 236.340 2.880 30 20 BFED C[C@@H]1C[C@@H]1C(=O)N(O)Cc1ccccc1Cl 904187940 XNUCNTGTTWEJKO-SCZZXKLOSA-N 239.702 2.714 30 20 BFED C=CC(C)(C)Cc1nc(C2(N)CCCC2)no1 905305108 IPVPLCINYGVRFB-UHFFFAOYSA-N 235.331 2.552 30 20 BFED CSc1ccc(C=NNc2ncccn2)cc1 912973321 TXIJLBOAJFMMCR-UHFFFAOYSA-N 244.323 2.645 30 20 BFED CCCNN=C(C)c1ccc2c(c1)CCC2 915965692 NNZGPRNYEVZFGR-UHFFFAOYSA-N 216.328 2.899 30 20 BFED C=CCN(Cc1noc(C(C)(C)C)n1)C(C)C 917069865 YNOKXANMSDMRCI-UHFFFAOYSA-N 237.347 2.764 30 20 BFED C=CCOC(=O)CCc1cc(F)ccc1F 919736675 QXHQMHMDJMRILD-UHFFFAOYSA-N 226.222 2.627 30 20 BFED C=CCC[C@H](CO)N[C@@H]1CCC[C@@H](SC)C1 922166127 AZDUMFDTSGXBRA-JHJVBQTASA-N 243.416 2.577 30 20 BFED Cc1cccn2cc(C(=O)OCCCC#N)cc12 924486068 CPXSWMHHTXABQD-UHFFFAOYSA-N 242.278 2.708 30 20 BFED C=C[C@H](CC)CC(=O)N1CCn2cccc2[C@H]1C 929903849 RNHBEMXDJQVZGB-CHWSQXEVSA-N 246.354 2.994 30 20 BFED Cc1ccc(C#N)cc1C(=O)NCCCC1CC1 933172478 LOQSWKRUZHKPDE-UHFFFAOYSA-N 242.322 2.787 30 20 BFED C=C[C@H](CC)CC(=O)N(OC)[C@@H](C)CC 934910154 IAIWIORFRQZZRM-WDEREUQCSA-N 213.321 2.777 30 20 BFED CC(C)(C#N)CC(=O)OCc1ccc(C#N)s1 1118336258 HOKDOQUVYGZIKV-UHFFFAOYSA-N 248.307 2.603 30 20 BFED Cc1ccccc1[C@H](C)C(=O)OC[C@H](C)C#N 1122823169 SBOVOCUOLDNNKJ-PWSUYJOCSA-N 231.295 2.801 30 20 BFED C=C(CC)C(=O)N1CCC[C@@H](C(C)C)C1 1123801389 CMVVUOHTYFJKCP-GFCCVEGCSA-N 209.333 2.847 30 20 BFED C#CCC(C)(C)C(=O)NC[C@H]1CCC[C@@H]1CC 1325248443 SLAVDCQQMOPFMW-QWHCGFSZSA-N 235.371 2.978 30 20 BFED Cc1nc(-c2nnc(C(C)(C)C)o2)ccc1C#N 1328405719 LPJRKLDYQUEEIH-UHFFFAOYSA-N 242.282 2.609 30 20 BFED C#CCO[C@H](C)c1nnc(CC2CCCC2)o1 1330100779 QZGAKPQWBNAEAC-SNVBAGLBSA-N 234.299 2.513 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)C1[C@H]2CCC[C@H]12 1336238608 PRYAVMYUFVHPAS-AGIUHOORSA-N 233.355 2.990 30 20 BFED Cc1ccc(O)c(C=NOC(C)(C)C)c1 1341308548 LVNGNLCOYCKXJW-UHFFFAOYSA-N 207.273 2.850 30 20 BFED C=C[C@H](C)OC(=O)[C@H]1CCO[C@H](C(C)C)C1 1344389264 YHFVIKKJOXXGIN-SRVKXCTJSA-N 226.316 2.555 30 20 BFED C=C(CC(C)C)C(=O)NC1(C#N)CCCCC1 1346386214 HUTIQIVFVUOQDQ-UHFFFAOYSA-N 234.343 2.931 30 20 BFED C=C(CC)C(=O)N1C[C@H](C)C[C@H]1c1cccnc1 1351754037 GUXNIYYYUFYVBJ-RISCZKNCSA-N 244.338 2.957 30 20 BFED N#Cc1cnc(NC/C=C\Cl)c(Cl)c1 1458677244 SRWQLFJXIMRKLR-UPHRSURJSA-N 228.082 2.771 30 20 BFED C=C(CC)C(=O)NCc1cccc(OC)c1C 1521743892 SLWRBYSMVIZEPX-UHFFFAOYSA-N 233.311 2.586 30 20 BFED C#CCC(C)(C)COC(=O)c1cnc(C2CC2)o1 1524781471 YTEYAPYCAQDIIV-UHFFFAOYSA-N 247.294 2.758 30 20 BFED CCCCC(=O)O[C@H](C)CC#Cc1cccnc1 1525832187 DSKRDERSHBPHPK-CYBMUJFWSA-N 245.322 2.945 30 20 BFED CC[C@H]1CCN(C(=O)CC(C)(C)C#N)[C@@H]1C 1529582430 KWHISCKPHYIGKI-MNOVXSKESA-N 222.332 2.573 30 20 BFED C=CCC[C@H](CCC)N[C@H]1CCC[C@@H]1C(=O)O 1609324822 RAMJRCIHJFQGGK-AVGNSLFASA-N 239.359 2.964 30 20 BFED C=CCN[C@@H](C)c1cc(C)ccc1OC 19875972 ZWAHNKLZMFJBKH-NSHDSACASA-N 205.301 2.840 30 20 BFED C[C@@H](NC(=O)CC1CC1)c1ccc(C#N)cc1 31432646 WVAFTMWGKWNHBY-SNVBAGLBSA-N 228.295 2.536 30 20 BFED CC[C@H](C)N(C)CCOc1ccccc1C#N 34674620 JBWVTJMGYMQGKV-LBPRGKRZSA-N 232.327 2.667 30 20 BFED Cc1cccc(C2(C#N)CCOCC2)c1 37382569 HGFXFFLFLZNQJI-UHFFFAOYSA-N 201.269 2.567 30 20 BFED CN(CCCC#N)Cc1ccc(F)cc1F 43629172 CJZBJBNLXQUOQH-UHFFFAOYSA-N 224.254 2.700 30 20 BFED C=CCOc1ccc(CN[C@H](C)COCC)cc1 44690122 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Cc1cccc(COc2cccc(C#N)c2)n1 92429188 CNIYWXNXVHCSJR-UHFFFAOYSA-N 224.263 2.841 30 20 BFED N#CCN(Cc1cc(C#N)cs1)C1CCCC1 93563401 ALXDULHZNFFPHA-UHFFFAOYSA-N 245.351 2.888 30 20 BFED Cc1ccc(F)cc1CN1CCC[C@@H](C#N)C1 97849355 QJQGYUIOWHXBID-LBPRGKRZSA-N 232.302 2.870 30 20 BFED CC(C)[C@H](CC(=O)N[C@H](C)C#N)c1ccccc1 103075363 KLQFFZWYTPQNMV-OCCSQVGLSA-N 244.338 2.845 30 20 BFED Cc1ccc2c(c1)N(C(=O)C(C)(C)C#N)CCC2 110393864 WVFBMRVMCKBXRD-UHFFFAOYSA-N 242.322 2.824 30 20 BFED CC[C@H](NCc1ccc(C#N)cc1)[C@H]1CCCO1 119717936 MDNDUNDCADYGFH-LSDHHAIUSA-N 244.338 2.605 30 20 BFED CC[C@@H](NCc1cccc(C#N)c1)[C@H]1CCCO1 119747014 FMUQISIICWASNK-HUUCEWRRSA-N 244.338 2.605 30 20 BFED CC#CCOC(=O)Cc1c(C)cc(C)cc1C 120373523 IZGJPSOLPWRHDH-UHFFFAOYSA-N 230.307 2.721 30 20 BFED C=CCC[C@@H](C)NCCCCn1ccnc1 126775755 LBVHEOBLKNAFED-CYBMUJFWSA-N 221.348 2.608 30 20 BFED C#CCCOc1ccc(CN(C)CCC)cc1 127553711 STTXYQKAADJOTE-UHFFFAOYSA-N 231.339 2.931 30 20 BFED C=CCCSc1nnc(NC2CC2)s1 128678689 BVWZXNUFJLPQEW-UHFFFAOYSA-N 227.358 2.781 30 20 BFED CCN(CCC#N)C(=O)[C@@H](C)c1ccsc1 133407489 ATUSWJJCEATAMO-JTQLQIEISA-N 236.340 2.614 30 20 BFED Cc1ccc(CN[C@@H](C)CC#N)cc1C 134897075 UKQKAEORZJGXIB-LBPRGKRZSA-N 202.301 2.695 30 20 BFED CC[C@@H](CSC)NCc1cccc(C#N)c1 135521607 XRICISIJLNGSKK-ZDUSSCGKSA-N 234.368 2.789 30 20 BFED CC[C@@](C)(C#N)C(=O)NCc1ccc(C)s1 136234032 TWRNWZMNVVCXOE-LBPRGKRZSA-N 236.340 2.613 30 20 BFED C=C(C)CN1CCC(N[C@@H](C)C2(C)CC2)CC1 153025983 QIBHEWLGRRPVOJ-ZDUSSCGKSA-N 236.403 2.805 30 20 BFED C=CCN(C)C(=O)c1cc(C)c(CC)s1 161346157 FPCYELCAGGWPLY-UHFFFAOYSA-N 223.341 2.877 30 20 BFED CC[C@@](C)(C#N)C(=O)NC[C@H](C)C(C)(C)C 162818397 NCEXBYJQCCVGOL-GWCFXTLKSA-N 224.348 2.725 30 20 BFED C=CCC(CC=C)C(=O)Nc1n[nH]c(CC)c1C 162903329 XTKUMGGJUHOYBW-UHFFFAOYSA-N 247.342 2.987 30 20 BFED C#CCCCOC(=O)COc1c(C)cccc1C 170714203 OMNVKQDZYQXWIT-UHFFFAOYSA-N 246.306 2.639 30 20 BFED CC#CCN1CCC(N(C)c2ccccc2)CC1 172765046 MAMKKKKALPEKRK-UHFFFAOYSA-N 242.366 2.611 30 20 BFED C[C@@H](C#N)CNc1nc2cc(F)ccc2o1 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2.544 30 20 BFED C=CCC[C@@H](O)CN1CC=C(C(F)(F)F)CC1 270261918 ZJYFSAQCLVBFFU-LLVKDONJSA-N 249.276 2.508 30 20 BFED C=CCN(C(=O)/C=C1\CC[C@@H](C)C1)C1CC1 271436117 BYWCEFAXVSEDOZ-KPMWUXBGSA-N 219.328 2.910 30 20 BFED C[C@@H](c1ccccc1)N(C(=O)CC#N)C1CC1 274615480 JACXYNXOWAKWQQ-NSHDSACASA-N 228.295 2.652 30 20 BFED COc1cc(Cl)ccc1CN(C)CCC#N 280505051 PYQMQDCZUSTGPZ-UHFFFAOYSA-N 238.718 2.694 30 20 BFED CCOC1(CNc2cc(C#N)ccn2)CCCC1 292926463 YXUARSYOPDOXPW-UHFFFAOYSA-N 245.326 2.714 30 20 BFED CN(CCc1ccccc1)[C@H]1CC[C@@H](C#N)C1 293464099 LIFVDYKBCXKNLZ-CABCVRRESA-N 228.339 2.853 30 20 BFED C=CCCN(C)C(=O)C1(C(F)(F)F)CCC1 294940367 AHYKIMGVJVIEBY-UHFFFAOYSA-N 235.249 2.754 30 20 BFED C[C@H](NCC[C@@H](C)CCO)c1cccc(C#N)c1 297383438 RGNNLXJSVQGQMM-OLZOCXBDSA-N 246.354 2.617 30 20 BFED C=C(C)COCCNC[C@@H](C)CC(C)C 300921847 MYUZHWCSUWEETM-ZDUSSCGKSA-N 213.365 2.851 30 20 BFED CCN(CCO[C@H](C)C#N)c1cccc(F)c1 302419796 QRELDYYRBZETQL-LLVKDONJSA-N 236.290 2.581 30 20 BFED CCCCN/C(=N/CC)NCc1ccc(C)cc1 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2.668 30 20 BFED C[C@@H](C#N)C(=O)N[C@H](C)c1cc2ccccc2o1 334424092 WCJDQZWLTOPMMA-VHSXEESVSA-N 242.278 2.770 30 20 BFED N#CCc1ccccc1NC(=O)[C@@H]1CCCS1 334590134 DRCJJOIFVYQNJJ-LBPRGKRZSA-N 246.335 2.587 30 20 BFED CC(C)C1(C)CCN(C(=O)[C@@]2(C#N)C[C@@H]2C)CC1 334655321 QNEDINXXPXAMOM-SWLSCSKDSA-N 248.370 2.821 30 20 BFED C[C@H](C#N)CNC(=O)Nc1ccc2ccoc2c1 336168098 ATYAMPDQBTVEBN-SECBINFHSA-N 243.266 2.714 30 20 BFED CN(CCC#N)c1nc2cccc(F)c2s1 336185619 UXRDPYWOVZVHLM-UHFFFAOYSA-N 235.287 2.785 30 20 BFED Cc1c(C#N)cccc1NC(=O)NC(C)(C)CF 336412185 RXXAYVXNISIZHW-UHFFFAOYSA-N 249.289 2.736 30 20 BFED C=CC[C@@H](CC)N[C@@H](CC)c1ccn(C)n1 336750228 ZHCUDZJSAXJJJB-NEPJUHHUSA-N 221.348 2.816 30 20 BFED C=C(C)CN(C)c1nnc(C2CCC2)n1CC 338529611 POGDBWMPIZHSMH-UHFFFAOYSA-N 234.347 2.578 30 20 BFED C=CCCN1CCC[C@]1(CCC)COC 338540192 KTLYOYNNZNKXLI-CYBMUJFWSA-N 211.349 2.844 30 20 BFED C=C(C)CN(C)c1nnc(C2CC2)n1CC(C)C 338983848 KCPKWHXLOLMZEE-UHFFFAOYSA-N 248.374 2.824 30 20 BFED CC[C@@]1(C)COCCN1Cc1ccccc1C#N 340884707 NJSUYGIHHSHIKG-HNNXBMFYSA-N 244.338 2.559 30 20 BFED C=CCCN(C)C(=O)N[C@H]1CCC[C@H](C)C1 342391847 ZDUMXGAGIPXGLG-RYUDHWBXSA-N 224.348 2.783 30 20 BFED C[C@@H]1CN(c2ccnc(C#N)c2)CC(C)(C)C1 342833161 XYQFLVLTXKRYMB-NSHDSACASA-N 229.327 2.826 30 20 BFED Cc1cc([C@H](C)NC[C@@H](C#N)CCC#N)c(C)o1 348116148 VXPYPIYTAUSZEN-WCQYABFASA-N 245.326 2.991 30 20 BFED C=CCOCCCN1C[C@H](C)C[C@@H](C)[C@@H]1C 348166539 GVSFYVBCSULRTM-MCIONIFRSA-N 225.376 2.946 30 20 BFED C=CCC(C)(C)C(=O)N(C)[C@H]1CC1(C)C 351660245 BIWBKACTHGJDFT-JTQLQIEISA-N 209.333 2.846 30 20 BFED C=C[C@@H](CO)N[C@H](C)c1cc(C)c(C)cc1C 353568861 PWOSHLGTZWSEII-KGLIPLIRSA-N 233.355 2.809 30 20 BFED N#CCC(=O)N1CCC[C@@H]1CCC1CCCC1 357143246 JNZJCQIWVYTDJK-CYBMUJFWSA-N 234.343 2.861 30 20 BFED N#CCCC[S@@](=O)Cc1cc2ccccc2o1 358232549 ACGIYEJRYSATAW-QGZVFWFLSA-N 247.319 2.985 30 20 BFED C=C[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 358517891 QBPPDLRGRJKFAS-BIMULSAOSA-N 233.286 2.620 30 20 BFED CC[C@](C)(C#N)C(=O)NC[C@H]1CCCC1(C)C 360870224 GDCTWJPEOFODOU-BXUZGUMPSA-N 236.359 2.869 30 20 BFED C=C[C@@H](C)NC(=O)Nc1cc(C)ccc1OC 362631905 TZPNXUCTFLSOCI-SNVBAGLBSA-N 234.299 2.700 30 20 BFED C=C[C@H](C)NC(=O)Nc1ccc2c(c1)CCC2 362631970 VJLLLSKODJSNPB-JTQLQIEISA-N 230.311 2.871 30 20 BFED C=C(C)CN[C@@H](c1ccccc1)c1cnn(C)c1 369906438 AFLNYJCNHFKLOO-HNNXBMFYSA-N 241.338 2.675 30 20 BFED C=C(Cl)CNC(=O)[C@H]1CC2CCC1CC2 380005458 OZQBVPWYPBNKOI-ILDUYXDCSA-N 227.735 2.681 30 20 BFED C[C@H](NCCC#N)[C@@H]1CC2CCC1CC2 381863328 IWIBDEKGZIBKRS-WTIISPKJSA-N 206.333 2.704 30 20 BFED C#C[C@@H](NCCC(C)(C)CC)[C@@H]1CCCO1 390670698 VIVSVWCXJGDHGE-OLZOCXBDSA-N 223.360 2.583 30 20 BFED C#C[C@H](CC)NC[C@H]1C[C@H]1c1ccccc1 390675044 XASDAOWTSCNWSX-KFWWJZLASA-N 213.324 2.792 30 20 BFED C#C[C@](C)(CC)NC(=O)c1c(C)oc(C)c1C 395273132 VBGPEWWKXCZBJN-CQSZACIVSA-N 233.311 2.737 30 20 BFED N#Cc1ccc(CNCC2=CCCC2)cc1 401174014 PTKQZSIYAVCAGK-UHFFFAOYSA-N 212.296 2.758 30 20 BFED C[C@@H]1CC[C@H](Nc2ncc(C#N)cc2F)C1 413241285 GWNNEACCBRDMNS-SCZZXKLOSA-N 219.263 2.693 30 20 BFED C=CC[C@H](C)N[C@H](C)Cc1ccc(OC)nc1 414091311 KWBNYFUUXPMDTC-NWDGAFQWSA-N 234.343 2.575 30 20 BFED C=C(C)CCN[C@H](C)Cc1ccc(OC)nc1 414152012 QGHIILHEWCFVBY-GFCCVEGCSA-N 234.343 2.577 30 20 BFED N#Cc1ccc(NC[C@@H]2CC23CC3)c([N+](=O)[O-])c1 418992212 NWARPQYRVAITMH-JTQLQIEISA-N 243.266 2.678 30 20 BFED C=CCSCc1ccn(CC(F)(F)F)n1 419404362 GAMLQGPULJFASZ-UHFFFAOYSA-N 236.262 2.865 30 20 BFED C=CCn1cc(CN[C@@H](C)C2CCCCC2)nn1 424300668 YKIRYSIIOBLCMF-LBPRGKRZSA-N 248.374 2.523 30 20 BFED C[C@@H]1CC=C(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 424965655 KAWXNVIIFPVYOP-NTZNESFSSA-N 232.327 2.541 30 20 BFED CN(CC(C)(C)CCC#N)[C@@H]1CCCC[C@H]1O 428471768 YYGVDCCDPSYENE-CHWSQXEVSA-N 238.375 2.552 30 20 BFED C=CCS(=O)(=O)N(C)C[C@H](CC)CCCC 435656274 RDFDHZHUUACISL-GFCCVEGCSA-N 247.404 2.650 30 20 BFED CC(C)[C@@H]1CCC[C@H](NC(=O)[C@]2(C#N)C[C@H]2C)C1 448911765 PNDOFNVJCWICAC-CXTNEJHOSA-N 248.370 2.867 30 20 BFED C[C@H](C1CC1)N(CC1(C#N)CCC1)C1CC1 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20 BFED C=CC[C@H](Cc1ccccc1)NC(=O)CC 412848916 ZORMPGPFBXSKBY-CYBMUJFWSA-N 217.312 2.700 30 20 BFED C=CCC[C@H](C)N[C@H](CC)[C@H](O)C(C)C 414301872 UDDJQIAITVQFGB-YNEHKIRRSA-N 213.365 2.726 30 20 BFED C=CCCCS(=O)(=O)N[C@H](C)CC(C)(C)C 416511901 ZJKLSBXZQMCCTG-LLVKDONJSA-N 247.404 2.697 30 20 BFED Cc1nn(CCC2=CCCCC2)cc1C#N 418970195 HNELMTAVDMIUFL-UHFFFAOYSA-N 215.300 2.954 30 20 BFED C=CCOCCSCc1ncccc1C 419456621 TYKXPIZSWRQILS-UHFFFAOYSA-N 223.341 2.826 30 20 BFED C=CC[C@H](C)[C@@H](C)N[C@H](CN)CC(C)C 423267201 SXDBMXDVDVMTSI-XQQFMLRXSA-N 212.381 2.550 30 20 BFED C=CCC[C@@H](C)N[C@@H]1CNC[C@H]1c1ccccc1 423535269 XGIFTXMYUOTOGC-VNQPRFMTSA-N 244.382 2.686 30 20 BFED CCCCCN(C(=O)NCCC#N)C(C)C 426433523 QHDULDDQUCKCJP-UHFFFAOYSA-N 225.336 2.510 30 20 BFED CN(Cc1ccc(C#N)c(F)c1)CC(C)(C)C#N 433301446 VOWKUIGCBGOJMB-UHFFFAOYSA-N 245.301 2.679 30 20 BFED C=CCNCc1ccc2c(c1)OCCCCO2 449273772 ZUPPXBVTKNVWRJ-UHFFFAOYSA-N 233.311 2.514 30 20 BFED C[C@@H]1C[C@]1(C#N)C(=O)NCC(C)(C)C1CCCC1 450208136 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2.725 30 20 BFED CC#CCN(C)C(=O)CCc1cccc(Cl)c1 558047818 OTOWDWZGPRGVMA-UHFFFAOYSA-N 249.741 2.754 30 20 BFED CCc1cc(C#N)ccc1OCC1CCOCC1 559766296 YFBXCWANADBXQM-UHFFFAOYSA-N 245.322 2.926 30 20 BFED C=CCCCCCNC(=O)N[C@@H]1CCC[C@@H]1F 569353756 YCPNEGJPUMGZNR-NWDGAFQWSA-N 242.338 2.923 30 20 BFED N#CC1(CNC[C@H]2C[C@H]2c2ccccc2)CC1 569664984 CHORUQGXFVRCHC-KGLIPLIRSA-N 226.323 2.683 30 20 BFED C=C1CCN([C@@H](C(=O)O)c2ccsc2)CC1 569935095 ZXSVSBDITSFWJV-LLVKDONJSA-N 237.324 2.526 30 20 BFED C=C[C@H]1CCCCN1C(=O)[C@@H](C)OCC(C)C 572910529 OTFFOPWMUPWTNO-OLZOCXBDSA-N 239.359 2.615 30 20 BFED C=CCCCCN[C@H](CC)[C@H]1CCCO1 573415744 JRYZZZLLSOTIDC-CHWSQXEVSA-N 211.349 2.890 30 20 BFED N#Cc1cccc(CCN[C@H]2CCC[C@H]3C[C@H]32)c1 574057919 WIKDKVYJGNDKBP-XHSDSOJGSA-N 240.350 2.879 30 20 BFED CC(C)CCNC(=O)[C@@]1(C#N)CC12CCCC2 576662984 BOJWTPXZVMMKPP-AWEZNQCLSA-N 234.343 2.623 30 20 BFED CN(CCCn1ccc(C#N)c1)c1ccccc1 577177545 FCHCPDFJXYBEEF-UHFFFAOYSA-N 239.322 2.886 30 20 BFED C=C(CC)CNC[C@@H](O)CCc1ccccc1 579701285 BJBQZJKYNPWQOT-HNNXBMFYSA-N 233.355 2.536 30 20 BFED C=CCCCCN(CC1CCC1)[C@H](C)CO 581589298 QWEMBHYODGIDFK-CYBMUJFWSA-N 225.376 2.826 30 20 BFED C=C(C)CN(CC1CC1)[C@@](C)(CC)C(=O)O 583095521 MGLSFWGVPIQWII-ZDUSSCGKSA-N 225.332 2.528 30 20 BFED CCN(Cc1ccc2c(n1)CCC2)C[C@@H](C)C#N 583980021 XNUDDCUSVCIASM-LBPRGKRZSA-N 243.354 2.552 30 20 BFED CC[C@@H](C#N)C(=O)Nc1cccc2ccn(C)c12 593645819 JXMSNMIQUJONQI-JTQLQIEISA-N 241.294 2.667 30 20 BFED CCCCn1cc(-c2ccc(C#N)cc2)nn1 594649257 IEAAKJZLKKQBFS-UHFFFAOYSA-N 226.283 2.617 30 20 BFED N#CC[C@H]1CCCN(c2ccc(C#N)cc2F)C1 596329310 CVNAUUJLDBEYBR-LLVKDONJSA-N 243.285 2.827 30 20 BFED Cc1cc(F)cc(C(=O)N(C2CC2)[C@H](C)C#N)c1 598133042 VVNLLVRCENRTPU-SNVBAGLBSA-N 246.285 2.651 30 20 BFED CCN(C(=O)c1cccc(C)c1C)[C@@H](C)C#N 598346916 QGNHQWRJXCWFQB-NSHDSACASA-N 230.311 2.678 30 20 BFED CC1CC(CNCC(C)(C)CCC#N)C1 598647792 JBBMCMITCPCLMD-UHFFFAOYSA-N 208.349 2.952 30 20 BFED CC[C@H](C)[C@@H](CN(CC#N)C1CCCC1)OC 602477761 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244.338 2.909 30 20 BFED C=C[C@H](N[C@@H](C)c1cc(C)cc(C)c1)C(=O)OC 619701856 XNANACUOPGIUSI-JSGCOSHPSA-N 247.338 2.682 30 20 BFED C=CCOCCCc1nc(C[C@H](C)CC)no1 632248532 SWZMZOQZYLMBPW-LLVKDONJSA-N 238.331 2.793 30 20 BFED C=C(C)C(C)(C)C(=O)N(C)CCOC(C)(C)C 644679938 ZHKMYCQAGYQNEY-UHFFFAOYSA-N 241.375 2.862 30 20 BFED C=CCCCCN(C)Cc1cc(C)on1 649245258 ODADACZVYXIHPX-UHFFFAOYSA-N 208.305 2.771 30 20 BFED C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)CF 661186086 OEARYLBHAFBHPQ-QJPTWQEYSA-N 242.338 2.779 30 20 BFED C=C(CC)CNC(=O)N(C)C[C@H]1CC1(C)C 661289207 DQRLOPXQYGQTGZ-LLVKDONJSA-N 224.348 2.640 30 20 BFED C=CCCNC(=O)N[C@@H](CC)[C@@H]1CC1(C)C 661329922 JWJAZXLNKYVLEI-QWRGUYRKSA-N 224.348 2.686 30 20 BFED C=C(CC)CNC(=O)N(CC)[C@H](C)CC 665062738 HUVAYIBZCZQAJK-LLVKDONJSA-N 212.337 2.783 30 20 BFED C=CCN(C(=O)CCC(C)(F)F)C1CC1 678496556 VBZOEBSOSVKNHR-UHFFFAOYSA-N 217.259 2.599 30 20 BFED COCC#CCOc1ccc(C2CCC2)cc1 681004952 UKUZPBBDCOISTM-UHFFFAOYSA-N 230.307 2.983 30 20 BFED C=C1CCN(Cc2cc(C)ccn2)CC1 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30 20 BFED C=C(C)COC(=O)c1cccc(C)c1[N+](=O)[O-] 57470380 IERWNLOKRULRRR-UHFFFAOYSA-N 235.239 2.636 30 20 BFED CC(C)Oc1nnc(SCCCC#N)s1 60529605 SNHVGASWBYCMAB-UHFFFAOYSA-N 243.357 2.721 30 20 BFED N#Cc1cc(NCc2cccs2)ccn1 61811638 UJEOVBXRJRSAHK-UHFFFAOYSA-N 215.281 2.627 30 20 BFED C#CCN(CCc1ccccn1)C1CCCCC1 65960881 YFXKDKBENDIFOA-UHFFFAOYSA-N 242.366 2.892 30 20 BFED C#CCNc1ccc(C)cc1OCCC 68990918 FTZCFXGSMRENSJ-UHFFFAOYSA-N 203.285 2.829 30 20 BFED Cc1ccccc1[C@H]1CN(CCC#N)[C@H](C)CO1 75784634 WDPHGQKXOJUOHQ-UKRRQHHQSA-N 244.338 2.671 30 20 BFED C=CCCOC(=O)c1ccc(CC)c([N+](=O)[O-])c1 80118312 FSELWMGQJLSTLV-UHFFFAOYSA-N 249.266 2.890 30 20 BFED C#Cc1cccc(NCC2(CC#N)CC2)c1 83853468 OGTFKHRVYLTYSR-UHFFFAOYSA-N 210.280 2.774 30 20 BFED Cc1nsc(NCCC(C)C)c1C#N 86254472 JYDLCOWMSJOWMK-UHFFFAOYSA-N 209.318 2.781 30 20 BFED CCN(Cc1cnn(C(C)(C)C)c1)C[C@H](C)C#N 91984186 ASSPFFLRGOEQHN-GFCCVEGCSA-N 248.374 2.620 30 20 BFED C[C@@H]1CN(CC(C)(C)CCC#N)C[C@@H]1C 93504219 BEOHCICBPBYEMT-TXEJJXNPSA-N 208.349 2.904 30 20 BFED CC(C)(CCC#N)CN1C[C@H]2[C@@H](C1)C2(C)C 93661194 PXEAYERYDWNJAV-TXEJJXNPSA-N 220.360 2.904 30 20 BFED CC(C)CCNc1ccc(C#N)c([N+](=O)[O-])c1 94591544 FFQUFSMHEXXSCP-UHFFFAOYSA-N 233.271 2.924 30 20 BFED C=CCCCN1CCC[C@H](COCC)C1 117883856 JBNNMFCHQPZNQV-ZDUSSCGKSA-N 211.349 2.701 30 20 BFED CC(=O)c1cccc(OC[C@@H](C#N)CCC#N)c1 119274757 GRBKLBVFSSBGRR-GFCCVEGCSA-N 242.278 2.712 30 20 BFED CC[C@H](C)COC(=O)c1ccc(C#N)cc1 123750865 WXJIVIKDBJMDTK-JTQLQIEISA-N 217.268 2.761 30 20 BFED C#CCNc1ccc(Cl)cc1OCC 123890292 AQFSSMNDWIGNMO-UHFFFAOYSA-N 209.676 2.784 30 20 BFED C=CCOc1ccc(CN2CCCC2)cc1OC 123914033 WIFSHOSBEUQXGT-UHFFFAOYSA-N 247.338 2.856 30 20 BFED CCCCCCCCNCC1(N)CCC1 126910579 RMJXYBUOCWJUAP-UHFFFAOYSA-N 212.381 2.818 30 20 BFED C[C@@H](NCCCC#N)c1ccc(F)cc1F 128375072 CQAKVCJAOGYSSA-SECBINFHSA-N 224.254 2.919 30 20 BFED C=C[C@@H](C)NCc1ccc(Br)cn1 130488950 SDHCJRWGQCVOQR-MRVPVSSYSA-N 241.132 2.508 30 20 BFED CC(C)(C)CN(CCCO)CCC(C)(C)C#N 131536386 GOTNOQPRCOSDEE-UHFFFAOYSA-N 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244.246 2.620 30 20 BFED C#CCN(CCC)Cc1ccccc1F 746142896 DHAHJULZZHNBHJ-UHFFFAOYSA-N 205.276 2.671 30 20 BFED C=C(C)COC(=O)c1ccc(CC)c([N+](=O)[O-])c1 747013305 ZSAJLMYIDDKANK-UHFFFAOYSA-N 249.266 2.890 30 20 BFED C[C@@H]1OCCC1=NN[C@H](C)c1ccccc1 747754475 ZXRPYSGCQDMKBO-MNOVXSKESA-N 218.300 2.502 30 20 BFED CC(C)[C@@H]1CCCC1=NNC[C@H](C)C#N 747762499 CSUFYBXUEKUGSI-MNOVXSKESA-N 207.321 2.548 30 20 BFED CC(C)CON=Cc1ccc(N(C)C)c(F)c1 749636380 GMSMOJIARKASCM-UHFFFAOYSA-N 238.306 2.898 30 20 BFED Cc1ccc(CCCC(=O)O[C@@H](C)C#N)s1 750973607 KKARQNQNYBOJFB-VIFPVBQESA-N 237.324 2.835 30 20 BFED C=CCOC(=O)c1cc(F)cc(Cl)c1O 751731866 PAGGTTWCIDPQMX-UHFFFAOYSA-N 230.622 2.528 30 20 BFED C#C[C@@H](CC)NC(=O)N[C@H](C)CCCCC 753019621 DGMXMTJLUCGVKS-NEPJUHHUSA-N 224.348 2.666 30 20 BFED C/C=C(\C)C(=O)Oc1ccc(C#N)c(C)c1 765091329 HISXSUVLRNQXFS-RUDMXATFSA-N 215.252 2.738 30 20 BFED C[C@H](C1CC1)N(C)c1snc(Cl)c1C#N 771069824 LVTGWDMPBJMVPY-ZCFIWIBFSA-N 241.747 2.903 30 20 BFED C/C=C/C=C\C(=O)OCC#Cc1ccc(F)cc1 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20 BFED C1CCC2(C1)CCC2=NOC1CCOCC1 788722745 CRDOBDMMEJXLSQ-UHFFFAOYSA-N 223.316 2.892 30 20 BFED CC[C@H](C)NN=C1CCc2c(F)cccc21 790191073 XXOFTOUSKQQUSN-VIFPVBQESA-N 220.291 2.864 30 20 BFED C=C(C)CN(CC)C(=O)C1=C(CC)OCCC1 790286523 XLYIYMAIDIFJHB-UHFFFAOYSA-N 237.343 2.886 30 20 BFED Cn1ccnc1NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 790302150 NWHSREMXXBAGOR-WYUUTHIRSA-N 244.342 2.644 30 20 BFED C#C[C@H](CCC)NC(=O)N1C[C@@H](C)C[C@H]1CC 791066929 GYPOWQUBRBXSIB-YNEHKIRRSA-N 236.359 2.618 30 20 BFED C#C[C@H](CCC)NC(=O)NCC(C1CC1)C1CC1 791070621 WOYCYRYNVODAOV-CYBMUJFWSA-N 248.370 2.524 30 20 BFED C=CCC(CC=C)C(=O)O[C@@H](C)c1ccnn1C 791944192 UZCRUUWUHCLABM-NSHDSACASA-N 248.326 2.793 30 20 BFED C[C@H](NN=C1CCC[C@@H](N(C)C)C1)C(C)(C)C 793114134 DPXQVHNDRKFLCL-WCQYABFASA-N 239.407 2.871 30 20 BFED C[C@H](NN=Cc1cccc2nccn12)C(C)(C)C 793116333 RWYCKNAJTKJMRJ-NSHDSACASA-N 244.342 2.692 30 20 BFED COCCN(C)N=C1C[C@@H](C)c2c(C)cccc21 794964187 YTWFTWICNSLTNW-GFCCVEGCSA-N 246.354 2.785 30 20 BFED C=CCNN=Cc1ccc(OC(F)(F)F)cc1 794998947 QLCWWLSWBHRMII-UHFFFAOYSA-N 244.216 2.695 30 20 BFED Cn1cnc(/C=C/C(=O)c2cccc(Cl)c2)c1 798231934 MBGJISXJYBXYFN-AATRIKPKSA-N 246.697 2.970 30 20 BFED CC[C@@H](C)OC(=O)c1ccc(C)c(C#N)c1 799548365 QCMSAHDNUBKTPT-SNVBAGLBSA-N 217.268 2.822 30 20 BFED CSC1(C=NNc2ncccc2C)CC1 800816323 IXQKLDIISLJZGN-UHFFFAOYSA-N 221.329 2.683 30 20 BFED CC#CC(=O)N[C@H]1CCC[C@@H]1CCC(C)C 801148999 APEWVBBUBVCSLN-OLZOCXBDSA-N 221.344 2.731 30 20 BFED C[C@@H](C#N)OCCN(C)C1CCCCCCC1 801915593 OKGLTLVCVKHWNN-ZDUSSCGKSA-N 238.375 2.960 30 20 BFED C[C@H](C#N)OCCN1[C@H]2CCCC[C@@H]2C[C@H]1C 801923342 GBWIHKBZRZTQNH-SYQHCUMBSA-N 236.359 2.568 30 20 BFED C[C@H](C[C@H]1CCOC1)NCC(C)(C)CCC#N 806175488 BCLRHVDNPLFASN-CHWSQXEVSA-N 238.375 2.721 30 20 BFED C(=NNCC1CCCC1)c1ccccc1 808007216 VNIBONYHFWIOBH-UHFFFAOYSA-N 202.301 2.800 30 20 BFED Cc1ccc(C(=O)/C=C\c2cnccn2)cc1 809152283 PFSKHWVTAKXUSS-SREVYHEPSA-N 224.263 2.681 30 20 BFED C=CCCCCOC(=O)C[C@H]1CCCCO1 811010495 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C=CCCCCCN(C)C(=O)NOCCC 828276866 DTSOIABXRNXKGT-UHFFFAOYSA-N 228.336 2.716 30 20 BFED CCC(C)(C)CC(=O)N1CCC[C@H](C#N)C1 829284186 NYJPZKCXMOIFFL-LLVKDONJSA-N 222.332 2.575 30 20 BFED CC1(C#N)CCC(=NNC2CCCC2)CC1 834953715 DLUZADCHDDKJNE-UHFFFAOYSA-N 219.332 2.978 30 20 BFED COCCON=C(C)[C@@H]1CCCC[C@@H]1C 834965037 TZGDVUIFTDFGCB-CMPLNLGQSA-N 213.321 2.852 30 20 BFED C=CCON=C1CC[C@H](C(=O)O)C(C)(C)[C@H]1C 835016413 YYCFSVIEEAJDSW-VHSXEESVSA-N 239.315 2.702 30 20 BFED C[C@H](CC#N)OC(=O)[C@]1(C)CC=CCC1 835158701 JPMMKGCQTSTCQV-ZYHUDNBSSA-N 207.273 2.578 30 20 BFED C=C[C@H](C)OC(=O)Cc1cc(C)ccc1F 835327930 IAYFWIGSVWGTAY-JTQLQIEISA-N 222.259 2.794 30 20 BFED CC[C@@H](OC(=O)CC(C)(C)C#N)C(F)(F)F 835659205 UQWOCVPHXZMRFL-SSDOTTSWSA-N 237.221 2.810 30 20 BFED N#Cc1cccc(C(=O)OCC2=CCCCC2)n1 835816747 NRIVNCPGBPRKPM-UHFFFAOYSA-N 242.278 2.610 30 20 BFED C#CCC[C@H](C)OC(=O)c1ccccc1OC 839034568 RWSKTRWAZSQHLI-NSHDSACASA-N 232.279 2.654 30 20 BFED C#CCC[C@H](C)OC(=O)[C@@H]1CC12CCC2 839037023 KZDBYPAUJOCPKU-QWRGUYRKSA-N 206.285 2.522 30 20 BFED C=CCSCCNc1ncc2c(n1)CCCC2 840253940 XKCPEMVAYCTLQC-UHFFFAOYSA-N 249.383 2.687 30 20 BFED CCCCCCNC(=O)NCC1(C#N)CCC1 842171144 IDSCFXWPRLNHRZ-UHFFFAOYSA-N 237.347 2.560 30 20 BFED CCCc1ccc(C(C)=NN(CC)CCO)cc1 842534747 XERXUEFBBPWSPL-UHFFFAOYSA-N 248.370 2.677 30 20 BFED C#C[C@@H](NC(=O)/C=C\C1CCCC1)C(C)(C)C 843605670 QBCXYILTBGKCDX-BSYHEUMXSA-N 233.355 2.897 30 20 BFED C#C[C@H](NC(=O)[C@@]1(C)CC1(F)F)c1ccccc1 843637266 BSCGNVPTBYJTDC-WCQYABFASA-N 249.260 2.522 30 20 BFED CC[C@@H](C#N)C(=O)N[C@@](C)(CC)c1ccccc1 845456952 NXCIPIUIEWWRIF-WFASDCNBSA-N 244.338 2.978 30 20 BFED C=C[C@H](C)ONC(=O)NC[C@@H]1CCCC[C@H]1C 845642870 VBKKEKRCAKPTCP-WOPDTQHZSA-N 240.347 2.618 30 20 BFED C=CC[C@H]1CCCN(C(=S)NC2(C)CC2)C1 849279925 LVZFPKVXLRCETI-NSHDSACASA-N 238.400 2.702 30 20 BFED C=C(C)C(C)(C)C(=O)OCc1conc1C 849811463 JYLONXOVFJXGIC-UHFFFAOYSA-N 223.272 2.629 30 20 BFED C[C@@H](CC(C)(C)C#N)OC(=O)CC(C)(C)C#N 851207581 ZLSXKIPHANGGCQ-JTQLQIEISA-N 236.315 2.798 30 20 BFED C=C(Cl)CS[C@H](C)C(=O)NC1CCCC1 853783283 KCODTCFEFZQIQD-SECBINFHSA-N 247.791 2.919 30 20 BFED C=CCCCCC[C@H](C)NCC12CC(CN1)C2 854227421 OIRSSZBBYIJUTE-NFOMZHRRSA-N 236.403 2.853 30 20 BFED C#CC[C@H](CCOC)NCc1cc(C)cc(C)c1 858333496 IDWIUJNHPUIRDP-MRXNPFEDSA-N 245.366 2.821 30 20 BFED C#CC1CCC(=NNc2cccc(C)n2)CC1 863160377 BNLIJRNIJDHAFS-UHFFFAOYSA-N 227.311 2.981 30 20 BFED CNc1ccccc1C=NOCC(C)C 872359533 IEOSHMSSOSXGSK-UHFFFAOYSA-N 206.289 2.735 30 20 BFED C=C[C@@H](C)ON=Cc1cccc([N+](=O)[O-])c1C 872387128 MOQCCKJMAJIOIJ-SECBINFHSA-N 234.255 2.828 30 20 BFED C#CCCCCCCNCC(C)(C)CCO 877064385 QCZQJXBGBHQBRH-UHFFFAOYSA-N 225.376 2.568 30 20 BFED C=CC(C)(C)CC(=O)NCC1(C)CCOCC1 879115161 GPQPZVONVYYGKP-UHFFFAOYSA-N 239.359 2.522 30 20 BFED CCC#CCOC(=O)[C@@H](C)c1cccc(OC)c1 893839230 YPARVJTZBAWAKA-LBPRGKRZSA-N 246.306 2.755 30 20 BFED Cc1cc(C#N)nc(N[C@H]2CS[C@H](C)C2)c1 894195335 QQMDJOAOBSZVDA-MWLCHTKSSA-N 233.340 2.568 30 20 BFED CC[C@@H](Nc1cc(C)cc(C#N)n1)C1CC1 894573314 WIWSSTDMWDLONF-GFCCVEGCSA-N 215.300 2.862 30 20 BFED C=C1CC(c2noc(C3(CCOC)CC3)n2)C1 896881476 CCGVIIJPXIPWNA-UHFFFAOYSA-N 234.299 2.571 30 20 BFED C=C1CCC(C(=O)N2CC[C@H](SC)C2)CC1 897889844 YASJHDUDERAZBB-LBPRGKRZSA-N 239.384 2.697 30 20 BFED CCC1(CC)[C@@H](NCC(C)(C)C#N)C[C@@H]1OC 903099946 DDBZMUIGURMYAK-RYUDHWBXSA-N 238.375 2.719 30 20 BFED CCCCN(O)C(=O)Cc1ccc(F)cc1F 904212883 WNYOZGRHGFFNIA-UHFFFAOYSA-N 243.253 2.525 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(C)c1 905026094 XLMRKCJGMVJGAB-KBPBESRZSA-N 245.322 2.915 30 20 BFED N#Cc1cccc(SCCOC2CC2)c1 917179682 VDXRPGBAOJSIBG-UHFFFAOYSA-N 219.309 2.829 30 20 BFED C=C(C)CNC(=S)Nc1cccc(F)c1F 921271200 DBEBSECHEMQREC-UHFFFAOYSA-N 242.294 2.827 30 20 BFED C=CCCc1noc([C@@H]2CCCN2C(C)C)n1 924084040 NDJJMUQWARHLCR-NSHDSACASA-N 235.331 2.734 30 20 BFED CCC[C@H](C(=O)N1CCC[C@@H](C#N)C1)C(C)C 928222747 VKQSAJGNZOJBNU-STQMWFEESA-N 236.359 2.821 30 20 BFED C#Cc1ccc(NC(=O)N2CC[C@H](C)[C@H]2C)cc1 934935518 QBBGKKUFHMTIEJ-NWDGAFQWSA-N 242.322 2.930 30 20 BFED CC(C)=CCCC(C)=NNc1ccn(C)n1 1255670204 DRLRODIEGWMFBA-UHFFFAOYSA-N 220.320 2.954 30 20 BFED CCCNN=Cc1cccc2ccoc12 1261277561 CRFVZJXYWPODRP-UHFFFAOYSA-N 202.257 2.766 30 20 BFED C=C[C@H](COC)N[C@@H](C)c1ccccc1N(C)C 1320306288 PQHOIFIHXIXXQU-QWHCGFSZSA-N 248.370 2.604 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@H](C)Cc1ccc(C)cc1 1324438921 RQAUDRGLRQDCJZ-BMFZPTHFSA-N 245.366 2.859 30 20 BFED N#Cc1ccc(-c2nnc(CC3CC3)o2)s1 1329260942 AOLBEMJVSIOPEE-UHFFFAOYSA-N 231.280 2.622 30 20 BFED CC[C@H](C#N)OC(=O)c1cc(Cl)ncc1C 1335455109 PBFFUIUGCWMLSM-MRVPVSSYSA-N 238.674 2.502 30 20 BFED CC[C@H](C#N)N(CC)C(=O)CCCC1CC1 1339069438 YOWGFONQFIPWRM-GFCCVEGCSA-N 222.332 2.717 30 20 BFED C=C(CC)C(=O)N1CC[C@H](C2CCC2)C1 1347694606 AVQHUVXOQSKCTD-LBPRGKRZSA-N 207.317 2.601 30 20 BFED N#Cc1cc(C(=O)OC[C@@H]2C[C@@H]3C[C@@H]3C2)cs1 1519257657 YZFHMBRZYSSEKB-OWUUHHOZSA-N 247.319 2.823 30 20 BFED C=C(CC)C(=O)N[C@H](C)c1ccc(OC)cc1 1527425411 KFUAVJUHZWWPNJ-LLVKDONJSA-N 233.311 2.839 30 20 BFED C=C[C@@H](C)N[C@H](C)c1cc(C(=O)O)cs1 1602812082 ADRNKUBIKXJHHF-HTQZYQBOSA-N 225.313 2.671 30 20 BFED CCCC[C@H](N[C@H](C)CC(C)(C)C#N)C(=O)O 1605246398 YMVJHWYDSIMMAS-MNOVXSKESA-N 240.347 2.548 30 20 BFED O=C(O)CCC[C@@H]1CCCC(=NNC2CC2)C1 1610767463 NFGWLDJUELLJIM-JTQLQIEISA-N 238.331 2.540 30 20 BFED C=C(C)CN1CCC(CC(C)C)(C(=O)O)CC1 1776139936 UMSNGPSRQXNYGO-UHFFFAOYSA-N 239.359 2.775 30 20 BFED C=CCNC(=O)/C=C/c1nc2ccccc2s1 6430388 DROFFMRNPMXPTK-BQYQJAHWSA-N 244.319 2.612 30 20 BFED COc1cc(C#N)ccc1OCc1cscn1 20253687 IDASQWSKVCFTMG-UHFFFAOYSA-N 246.291 2.602 30 20 BFED N#Cc1ccc(NC2CCOCC2)cc1Cl 36304642 NICYMIONJMIKQO-UHFFFAOYSA-N 236.702 2.803 30 20 BFED N#CCOc1cccc(NCc2ccco2)c1 37069531 NSCMIHYFBGITET-UHFFFAOYSA-N 228.251 2.794 30 20 BFED Cc1csc([C@H](C#N)C(=O)C(C)(C)C)n1 41516673 BNJSMAHGPKWLOF-MRVPVSSYSA-N 222.313 2.674 30 20 BFED C=CCSCC(=O)Nc1cccc(F)c1 44257116 GCKLOAJWRUZFOZ-UHFFFAOYSA-N 225.288 2.683 30 20 BFED CC(C)[C@@H](C)N(C)C(=O)C1(C#N)CCCC1 44317429 YUHLMRJSBDIRBO-LLVKDONJSA-N 222.332 2.573 30 20 BFED CCN(CC#N)Cc1cc(Cl)ccc1OC 45061584 AOJCYZMYRUFVKI-UHFFFAOYSA-N 238.718 2.694 30 20 BFED C=CCN(CC=C)CCOc1cccc(C#N)c1 51767214 MKWMKJVEFCWYEA-UHFFFAOYSA-N 242.322 2.611 30 20 BFED C[C@@H](NCc1cncs1)c1ccc(C#N)cc1 54770765 GESCWVRLGJUYMR-SNVBAGLBSA-N 243.335 2.866 30 20 BFED C#CCOC(=O)c1ccccc1SC(C)C 60707533 XUOBKAAFUBLHHZ-UHFFFAOYSA-N 234.320 2.977 30 20 BFED C=C(Br)CNC(=O)CC1CCCC1 68934644 JNDDWYMMLIVBDF-UHFFFAOYSA-N 246.148 2.592 30 20 BFED CC1(C)C[C@H](Nc2ccc(C#N)cc2)CCO1 70344804 CKEZBKRATNOAGN-CYBMUJFWSA-N 230.311 2.928 30 20 BFED CC(C)(C)CCNc1ncc([N+](=O)[O-])cc1C#N 75669528 KRYFSUAULJMWBK-UHFFFAOYSA-N 248.286 2.710 30 20 BFED C[C@H](CSCc1ccc(C#N)cc1)C(=O)O 83051026 ZHWKAFKWWZZYSP-SECBINFHSA-N 235.308 2.512 30 20 BFED C=CCN(CCc1ccccc1)[C@@H]1CCOC1 84133551 GFXWZIPNIMGULE-OAHLLOKOSA-N 231.339 2.506 30 20 BFED C#CCN1CC=C(c2ccc(OCC)cc2)CC1 91800797 YVZFDIAMEHSWJI-UHFFFAOYSA-N 241.334 2.808 30 20 BFED C#Cc1cccc(N(CC)Cc2cc(C)on2)c1 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C=CCCOC(=O)CCO[C@@H](C)CC(C)C 756236468 NCVZQDRQNNMZOO-LBPRGKRZSA-N 228.332 2.947 30 20 BFED C=C[C@@H](C)NC(=O)C(F)(F)c1ccc(F)cc1 757011280 ZMZSXGCRIXZCOJ-MRVPVSSYSA-N 243.228 2.608 30 20 BFED CCO[C@H]1CC(=NNC2CC2)C1(CC)CC 758129934 RSHZATJUASIRQR-LBPRGKRZSA-N 224.348 2.710 30 20 BFED CC#CC(=O)Nc1ccc(-c2nccs2)cc1 764014139 BLMVRXKDGYLUHF-UHFFFAOYSA-N 242.303 2.772 30 20 BFED C[C@H]1CC(C)(C)CC1=NNc1cnccn1 766009717 HRRSFQWMNXWSBE-VIFPVBQESA-N 218.304 2.701 30 20 BFED C#CCCCN(C)[C@@H]1C[C@@](C)(OC)C1(C)C 766903094 PIDZDICIEQGFHF-TZMCWYRMSA-N 223.360 2.535 30 20 BFED C[C@H]1CCCCC1=NNCC(F)(F)F 769824667 LABSVGSOMLXLGI-ZETCQYMHSA-N 208.227 2.704 30 20 BFED C[C@@H](C#N)COC(=O)c1cnc2ccsc2c1 770948851 GXCUUNFZHYZMPM-QMMMGPOBSA-N 246.291 2.613 30 20 BFED C=C(CC)CONC(=N)[C@@H](C)OCC(C)C 773177061 GQZOYIRKZRJVPO-LLVKDONJSA-N 228.336 2.512 30 20 BFED C=C(CC)COC(=O)c1ccccc1OC 773431359 OZJMAGCCDLHHCX-UHFFFAOYSA-N 220.268 2.818 30 20 BFED C[C@H](NCC1(C#N)CC1)c1ccc2c(c1)CCO2 776005913 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BFED C=C(Cl)CONC(=N)CCC(F)(F)F 863491733 VICDMQIKHDTOIZ-UHFFFAOYSA-N 230.617 2.580 30 20 BFED C=CCNN=C(C)CCOCc1ccccc1 872373585 LCTGEVRCAIIBPU-UHFFFAOYSA-N 232.327 2.745 30 20 BFED F[C@@H]1CCCC1=NNCC(F)(F)C(F)(F)F 872393797 HKESLZXXCXYOBW-RXMQYKEDSA-N 248.170 2.652 30 20 BFED C=CC(C)(C)CC(=O)N[C@@H](C)C[C@@H]1CCOC1 879155086 YWWLXGRQRGTBPH-RYUDHWBXSA-N 239.359 2.520 30 20 BFED Cc1ccc(N2CC[C@H](C3CCC3)C2)c(C#N)n1 882467015 WSUXSNYLBMISHO-ZDUSSCGKSA-N 241.338 2.888 30 20 BFED C=C1CCC(C(=O)OCc2cc(C)on2)CC1 885650015 RNVXHFRTSBQVHY-UHFFFAOYSA-N 235.283 2.773 30 20 BFED Cc1cc(C#N)nc(NC[C@@]2(C)CCCS2)c1 892900818 XITIVEVIRQNPGP-CYBMUJFWSA-N 247.367 2.959 30 20 BFED C=CC1(OC(=O)c2cnc(C(C)C)nc2C)CC1 893358845 JMTCXKZOEKVYRT-UHFFFAOYSA-N 246.310 2.784 30 20 BFED C=CC1(OC(=O)CC[C@H](C)SC)CC1 893364433 SUBUMPWDSVDSBB-VIFPVBQESA-N 214.330 2.780 30 20 BFED C=C1CC(c2noc(-c3ccnn3C(C)C)n2)C1 896882397 KGPHCHMHGOSIII-UHFFFAOYSA-N 244.298 2.948 30 20 BFED C=C1CCC(C(=O)N2CCC[C@@H](CC#N)C2)CC1 898581189 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30 20 BFED CCN(Cc1ccccc1)c1ccnc(C#N)c1 61814917 CSKUZBDGTKGVQW-UHFFFAOYSA-N 237.306 2.980 30 20 BFED C=C(Cl)COC(=O)c1cc(N)ccc1Cl 63542815 WBIAAQGSWODVPM-UHFFFAOYSA-N 246.093 2.832 30 20 BFED C=CCCO[C@H](C)C(=O)NC1CCCCCC1 69314349 QBDCZLUUZAYGFR-GFCCVEGCSA-N 239.359 2.807 30 20 BFED C#CCCN[C@@H](c1ccccc1)C(F)(F)F 69938908 LDURRHVNVXJVBZ-NSHDSACASA-N 227.229 2.903 30 20 BFED C=CCCn1c2c(sc1=O)CCCCC2 77239724 VLKMTSCMUBVAHW-UHFFFAOYSA-N 223.341 2.755 30 20 BFED C=CCN1CCC[C@@H]1c1nc2ccccc2n1C 84116464 NPDXRTSODOPWOQ-CQSZACIVSA-N 241.338 2.896 30 20 BFED CC1(C)CCC[C@H]1NC(=O)c1cc(C#N)cs1 84190610 NZZYKINQELVYPP-LLVKDONJSA-N 248.351 2.928 30 20 BFED N#CC1(c2ccccc2)CC(NCC2CC2)C1 86035816 KJWLYEDPLMETLY-UHFFFAOYSA-N 226.323 2.610 30 20 BFED CC1(C)C(Nc2ccc(C#N)cn2)C1(C)C 86240497 CZOXEPWDZSEFMA-UHFFFAOYSA-N 215.300 2.800 30 20 BFED C=CCCOc1ccc(C(=O)O)c(C)c1 88124916 BJHBOLFNUMLKCF-UHFFFAOYSA-N 206.241 2.648 30 20 BFED C[C@@H]1C[C@@H](Nc2cccc(OCC#N)c2)CS1 94471988 OBPCWFIBZXZTAX-ZYHUDNBSSA-N 248.351 2.895 30 20 BFED CCCCCCCCNCc1cc[nH]n1 104246491 MWUVWURGGUBVFP-UHFFFAOYSA-N 209.337 2.860 30 20 BFED C[C@@H]1CN(c2ccc(F)cc2C#N)CC(C)(C)O1 107037940 QEDQZHSZGIQTGC-SNVBAGLBSA-N 248.301 2.701 30 20 BFED N#Cc1ccc(NC(=O)CCC2CC2)cc1 114998083 HJVGYDCBKKEQKY-UHFFFAOYSA-N 214.268 2.687 30 20 BFED C=CCCC(=O)NC[C@@H]1CCc2ccccc2C1 117163549 AKAUHDIRAASHRV-CYBMUJFWSA-N 243.350 2.874 30 20 BFED C#CCCCCC(=O)Nc1ccc(OC)cc1 119471143 ZXTJKRICKIWQAN-UHFFFAOYSA-N 231.295 2.827 30 20 BFED CC[C@@H](C#N)NC(=O)C(C)(C)Cc1ccccc1 123569065 HGFCBPZSVQZZTH-ZDUSSCGKSA-N 244.338 2.674 30 20 BFED Cc1ccc(C#N)c(NCC2CCSCC2)n1 127573704 NISKBKFFJQAVLQ-UHFFFAOYSA-N 247.367 2.817 30 20 BFED C[C@@]1(CNc2cccnc2C#N)CCCS1 130083699 JQUMGRLGKWAVBH-LBPRGKRZSA-N 233.340 2.651 30 20 BFED CC[C@H](C)N/C(N)=N/CCc1c(C)cccc1C 130723898 XAZCITQEDIPCJL-ZDUSSCGKSA-N 247.386 2.549 30 20 BFED N#Cc1ccc(CNCCc2ccccc2F)o1 135130193 HLMZCIAFESNVKE-UHFFFAOYSA-N 244.269 2.623 30 20 BFED C=C(C)CN(C)C1(C(=O)OCC)CCCCC1 151240386 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CCC[C@@H](C)OC(=O)c1cccc(C#N)c1 177738598 KVWFJQHIKJQRLL-SNVBAGLBSA-N 217.268 2.904 30 20 BFED N#Cc1csc(C(=O)Nc2cccc(O)c2)c1 178528900 GQTOMUIFVIUGPS-UHFFFAOYSA-N 244.275 2.578 30 20 BFED CC[C@@H](C#N)NC(=O)[C@H](SC)c1ccccc1 179244406 SXTMNQUVOUZFPM-NWDGAFQWSA-N 248.351 2.509 30 20 BFED CC(C)(C#N)C(=O)Oc1cccc(Cl)c1F 185921299 VVOQKZYEIYVWDR-UHFFFAOYSA-N 241.649 2.934 30 20 BFED C#C[C@H](C)NC(=O)c1c(CC)oc2ccccc12 186006922 BYTZVHZDOYUWIY-JTQLQIEISA-N 241.290 2.747 30 20 BFED Cc1cncc(C(=O)/C=C/c2ccc(F)nc2)c1 186430961 CFELZSSZGTVNCU-DUXPYHPUSA-N 242.253 2.820 30 20 BFED Cc1cc(C(=O)N(CC#N)c2ccccc2)co1 188405886 POIQIXKFPFZBBS-UHFFFAOYSA-N 240.262 2.758 30 20 BFED C=CCCCCCN1CCC[C@H]1c1nncn1C 193461592 TULOWZBFWJSHBE-ZDUSSCGKSA-N 248.374 2.698 30 20 BFED CCN(Cc1cccc(C#N)c1F)C(C)C 219517934 KCPXBZGUKDLVBM-UHFFFAOYSA-N 220.291 2.928 30 20 BFED C[C@@H](CO)CSCc1cccc(C#N)c1F 219767305 YKUOCVIPAZEJRE-VIFPVBQESA-N 239.315 2.559 30 20 BFED C#CCCCN[C@@H]1Cc2ccc(Cl)cc2C1 224309240 OVVQVPAERZRACQ-CQSZACIVSA-N 233.742 2.810 30 20 BFED C#C[C@@H](CCC)NC(=O)c1cc(C)cc(C)c1 233294416 RDKAMMASEKPSDF-AWEZNQCLSA-N 229.323 2.835 30 20 BFED C#C[C@@H](CCC)NC(=O)c1ccc(C)cc1 233294965 WKUVIOGGOQSBKG-ZDUSSCGKSA-N 215.296 2.527 30 20 BFED CC[C@H](C)N(C)c1nccc(C#N)c1Cl 234001788 LVQBSMMXRDZFJP-QMMMGPOBSA-N 223.707 2.841 30 20 BFED CC[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CCO1 246318989 GZGYCDYGHLTUGR-IUODEOHRSA-N 244.338 2.730 30 20 BFED C[C@H](CN[C@H]1CCC[C@@H](C#N)C1)c1nccs1 248707509 AXXNKLGETDKBMG-UTUOFQBUSA-N 249.383 2.919 30 20 BFED N#CC1(CSc2cccc(O)c2)CC1 260081092 QJHIWJWXEIIMBA-UHFFFAOYSA-N 205.282 2.788 30 20 BFED C=C1CCN([C@H](C)c2ccc(C(=O)OC)o2)CC1 264495307 UFOSKBGVRYAVQA-LLVKDONJSA-N 249.310 2.779 30 20 BFED C#CCN(CC)C(=O)C[C@H](C)c1cccc(F)c1 265225184 TXVRGJQTFFHRAE-LBPRGKRZSA-N 247.313 2.801 30 20 BFED C/C(=C\C(=O)N(CC#N)C1CCCC1)C1CC1 265659218 ZSVXDZBLQWPHMJ-ZHACJKMWSA-N 232.327 2.637 30 20 BFED CN(Cc1ccc(C#N)cc1)C(=O)C1(C)CCC1 267483712 USNRQQWYZUIGKM-UHFFFAOYSA-N 242.322 2.707 30 20 BFED CCCN(CC)C(=O)c1ccc(CC#N)cc1 270298258 WHHRTRZUKPZAJV-UHFFFAOYSA-N 230.311 2.625 30 20 BFED C#CC[C@@H](NC(=O)[C@@H](C)SC)c1ccccc1 270514958 SBGPRFIKVZOOID-DGCLKSJQSA-N 247.363 2.619 30 20 BFED Cc1ccccc1C[C@H](C)NCCCC#N 273290202 SCZQYARGDJINOB-ZDUSSCGKSA-N 216.328 2.819 30 20 BFED N#Cc1ccc([N+](=O)[O-])c(N2CCC=C(F)C2)c1 274273327 RRYGBEGLUCALEZ-UHFFFAOYSA-N 247.229 2.530 30 20 BFED C[C@@H]1CCCCN(c2cnccc2C#N)C1 274694325 LBEUPAWSMNZGDJ-LLVKDONJSA-N 215.300 2.580 30 20 BFED C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCSC1 276020391 SEFLORAIBXRKRN-ZYHUDNBSSA-N 227.373 2.553 30 20 BFED C=CCCN(C)C(=O)[C@@H](C)Oc1cccc(C)c1 276443554 TUULTPTUFAHXQZ-CYBMUJFWSA-N 247.338 2.797 30 20 BFED CN(Cc1cccc(C#N)c1)C[C@@H]1CCSC1 278382470 CVYVGAORQCVEPZ-AWEZNQCLSA-N 246.379 2.743 30 20 BFED C#CCn1ccc(CN(CC)CCCCCC)n1 279651338 BJVPQNXTLWVSBH-UHFFFAOYSA-N 247.386 2.919 30 20 BFED C#CCCCNc1cccc(NC(=O)OC)c1C 280617094 KQOCDVUCLRFKFU-UHFFFAOYSA-N 246.310 2.999 30 20 BFED C#C[C@@H](NC(=O)N[C@@H](C)c1ccccc1)C(C)C 281467943 TWAUXJHINKPYGW-GXTWGEPZSA-N 244.338 2.705 30 20 BFED Cc1cnc([C@H](C)N[C@H]2CC[C@H](C#N)C2)s1 282158144 DFMGLOAASKPXFA-DCAQKATOSA-N 235.356 2.794 30 20 BFED C[C@H]1C[C@@H](C)CCN(c2ccnc(C#N)c2)C1 286051986 AWZNUSAHSHKZBX-RYUDHWBXSA-N 229.327 2.826 30 20 BFED Cc1cc(C#N)nc(N(C)[C@@H]2CCCC[C@H]2C)n1 286286388 XOOIOYPBKBFNQQ-ZWNOBZJWSA-N 244.342 2.672 30 20 BFED C=CCN(c1cc(C)nc(CC)n1)C1CC1 286628864 WMCBVGANXHFYSM-UHFFFAOYSA-N 217.316 2.502 30 20 BFED N#Cc1cc(F)cc(OCC[C@H]2CCCO2)c1 289799891 YHYKRXOJOFRCCN-GFCCVEGCSA-N 235.258 2.645 30 20 BFED C=C[C@H](CO)N[C@@H]1C[C@@H](C)c2c(C)cccc21 289967058 XGBSFYNSBGYYDB-YRGRVCCFSA-N 231.339 2.680 30 20 BFED C[C@H]1CCN(c2cccnc2C#N)CC12CCC2 290912635 HANRFMZKLHKITC-LBPRGKRZSA-N 241.338 2.970 30 20 BFED C=CCC(C)(C)CNc1ncccc1C#N 293283119 YBSHGIKWNFABTB-UHFFFAOYSA-N 215.300 2.967 30 20 BFED C=CC[C@@H](C)[C@H](C)NCc1cnccc1OC 294010501 DGTREHAHIWUPMK-NEPJUHHUSA-N 234.343 2.781 30 20 BFED C=CCCc1noc(-c2occc2C)n1 297296203 MBWIPWNMXXDLKO-UHFFFAOYSA-N 204.229 2.757 30 20 BFED CC#CCN(C)C(=O)Nc1cc(C)cc(C)c1 297456654 MQJBCMAEVXFXPY-UHFFFAOYSA-N 230.311 2.790 30 20 BFED COCCN(CCC#N)CCCC(C)(C)C 303794967 ZMDHWDPPZBGPGG-UHFFFAOYSA-N 226.364 2.675 30 20 BFED C#C[C@H](NC(=O)c1cc(C)cc(F)c1)C(C)C 304187234 SMJFDDBRRLTDTB-ZDUSSCGKSA-N 233.286 2.522 30 20 BFED C=CCCNC(=O)C(C1CCC1)C1CCC1 304525130 SOYMZZQJKXSKOZ-UHFFFAOYSA-N 221.344 2.895 30 20 BFED Cl/C=C/CON=C1CCSCC1 306290342 QBSBWXYZLBJVOR-DAFODLJHSA-N 205.710 2.639 30 20 BFED C#CC(C)(C)NC(=O)[C@H](CCC)CC(C)C 308029458 VSFNJRBXNMAVDP-GFCCVEGCSA-N 223.360 2.977 30 20 BFED CC(C)[C@@H](C)SCCO[C@H](C)C#N 308126832 BNWRGNWHEUEDCF-NXEZZACHSA-N 201.335 2.693 30 20 BFED CC1CCC(CN(C)C[C@@H](C)C#N)CC1 308949518 XGBHWSLLFODQMV-CPCZMJQVSA-N 208.349 2.904 30 20 BFED CC[C@](C)(C#N)C(=O)N(C)[C@@H](C)C1CCC1 325379059 WALBULGFZPBDOE-GXFFZTMASA-N 222.332 2.573 30 20 BFED CC(C)CN(CCC#N)C(=O)[C@@H](C)C(C)(F)F 328526424 UNKXKWGOAYSGCK-SNVBAGLBSA-N 246.301 2.676 30 20 BFED Cc1nnc(C/C(O)=N/[C@@H]2CC23CCCCC3)o1 329114099 LSAYPHQCWPPIDD-SNVBAGLBSA-N 249.314 2.600 30 20 BFED C[C@@H]1CC(=O)CC[C@@H]1/C(O)=N/[C@]1(C#N)CC1(C)C 330156089 OMTJLPWOXFZFPF-PUYPPJJSSA-N 248.326 2.640 30 20 BFED Cc1cccc(C(=O)N(C)C2(C#N)CCC2)c1F 334284833 WHTJMSNVUQKMKW-UHFFFAOYSA-N 246.285 2.652 30 20 BFED Cc1ccc(C)c(NC(=O)[C@@]2(C#N)C[C@H]2C)c1 334669617 QGZWSIYEFCLVTP-BXUZGUMPSA-N 228.295 2.792 30 20 BFED C[C@@H]1CCC[C@H](NCC2(C#N)CCC2)C1 334927784 GSDONXZKWRTZHG-NEPJUHHUSA-N 206.333 2.849 30 20 BFED CC1=CCN(c2ncc3c(c2C#N)CCC3)CC1 335100445 UHPMWYZOVXGCHH-UHFFFAOYSA-N 239.322 2.598 30 20 BFED Cc1oc(C#N)cc1C(=O)N[C@H]1C[C@@]1(C)C(C)C 335209437 NKXZYOQTQWNTTP-JSGCOSHPSA-N 246.310 2.624 30 20 BFED N#CCCNC(=O)N1CCC[C@H]1C1CCCCC1 335331702 KSSJCRJALDBRFB-ZDUSSCGKSA-N 249.358 2.654 30 20 BFED C=CC1CCN(C(=O)[C@]23CCC[C@@H]2C3)CC1 335505723 TXKMMBQNRNDSQU-OCCSQVGLSA-N 219.328 2.601 30 20 BFED N#CC1(NC(=O)[C@H]2CC23CCCC3)CCCC1 335931228 BALLKVALAHCNSH-LLVKDONJSA-N 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236.278 2.789 30 20 BFED C=C(C)[C@@H](C)OC(=O)c1cc(O)nc(C2CC2)c1 770919731 XIDQYFPCNAHLEB-SECBINFHSA-N 247.294 2.786 30 20 BFED C[C@@H]1CCC[C@@H](COC(=O)C(C)(C)C#N)C1 770952512 IXJMBCMFZGJPPC-GHMZBOCLSA-N 223.316 2.906 30 20 BFED COC[C@@H](C)NN=C1CC[C@@H](C)c2ccccc21 777900778 FTVDCWKRVXVRGQ-VXGBXAGGSA-N 246.354 2.913 30 20 BFED COC[C@@H](C)NN=C(C)c1coc2ccccc12 777901275 BZBHCHPBFRFODB-SNVBAGLBSA-N 246.310 2.781 30 20 BFED CC(C)[C@H](F)C(=O)OCc1ccc(CC#N)cc1 784143265 AWNODBZPHCSVMJ-ZDUSSCGKSA-N 249.285 2.790 30 20 BFED N#C[C@@H]1CC[C@H](SC(=S)N2CCCC2)C1 788101038 XGDPVICAOXJWPF-ZJUUUORDSA-N 240.397 2.793 30 20 BFED CN(C)[C@@H]1CCCC(=NN[C@H]2C[C@H]3CC[C@H]2C3)C1 788439968 ZFXKZRDPWUPDNX-VIRABCJISA-N 249.402 2.625 30 20 BFED C=CCCCOC(=O)c1ccnc(C)c1 789025731 NJMVYZZXLQWNAN-UHFFFAOYSA-N 205.257 2.513 30 20 BFED CC[C@H]1CCCC1=NNCCc1ccncc1 789094791 ZQUYWWXWKZHAJT-ZDUSSCGKSA-N 231.343 2.780 30 20 BFED CC[C@H](C)NN=C(C)c1ccc(O)c(C)c1 790183798 OGPFWVMKWGDGOV-JTQLQIEISA-N 220.316 2.813 30 20 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221.344 2.731 30 20 BFED C#C[C@H](C)N(C)C(=O)/C(F)=C/C1CCCCC1 830574192 KDJBDTZTWFTFNH-KBICQTFXSA-N 237.318 2.900 30 20 BFED CC(C)C(C)(C)CNC(=O)C#Cc1cccs1 830638379 CKNBDEXWBBLPAC-UHFFFAOYSA-N 249.379 2.898 30 20 BFED C=CCCC(=O)COC(=O)/C=C/C1CCCC1 830793174 MUSXYHJFUPHMBP-MDZDMXLPSA-N 236.311 2.811 30 20 BFED CC(=NNC(=S)N(C)C)[C@@H]1CCCC[C@@H]1C 834957656 ZKZLLXKYRMXVCK-GXSJLCMTSA-N 241.404 2.625 30 20 BFED Cc1cnc(C=NNCC2CCCC2)s1 834980054 NYKWBXDCQCODPK-UHFFFAOYSA-N 223.345 2.565 30 20 BFED CC(C)ON=CCc1ccc([N+](=O)[O-])cc1 834999678 DLIKHOBECOJYOC-UHFFFAOYSA-N 222.244 2.548 30 20 BFED CC(C)C(=NN[C@H](C)C(F)(F)F)C1CC1 835002562 TWLJKXPVRIILFG-SSDOTTSWSA-N 222.254 2.949 30 20 BFED CCCCCC=NOC(C)(C)C(=O)OCC 835005340 YRYRXHVMKPDIEJ-UHFFFAOYSA-N 229.320 2.911 30 20 BFED C=CCON=Cc1cnc(N(CC)CC)s1 835015243 FVMULMYAMNBYEF-UHFFFAOYSA-N 239.344 2.526 30 20 BFED C=C(CC)CNC(=O)/C=C1\CC[C@@H](C)C1 837099264 ONNZMWHRHGYFLR-OYGDSYQHSA-N 207.317 2.815 30 20 BFED C=CCCCCOC(=O)c1ccc(O)cc1O 837346918 UFQKFULMRIFCSE-UHFFFAOYSA-N 236.267 2.611 30 20 BFED N#CCCCOC(=O)Cc1cccc(C2CC2)c1 840609246 GHMOWFZQZIZHDA-UHFFFAOYSA-N 243.306 2.953 30 20 BFED C=CCC1(CNC(=S)NC2CC2)CCCC1 840813688 SRXDCXFAWADJEE-UHFFFAOYSA-N 238.400 2.749 30 20 BFED C=C(Cl)CNCc1ccc(N(C)C)cc1C 840938044 YZULDARTRQGXPH-UHFFFAOYSA-N 238.762 2.903 30 20 BFED CCc1ccc(C(=O)/C=C\c2cc(C)nn2C)o1 841484955 DELCNFDFBJXDSM-ALCCZGGFSA-N 244.294 2.780 30 20 BFED C=C[C@](C)(CCOC)C(=O)OC/C(C)=C/C 842844402 SQIXFCKAZSTEAM-ASJRZHAZSA-N 226.316 2.725 30 20 BFED C=C[C@H](C)ONC(=O)Nc1cc(F)ccc1C 844480934 CKKMHCNGPNXTBF-VIFPVBQESA-N 238.262 2.762 30 20 BFED C#C[C@H](C)OC(=O)c1cccc2c1OC(C)(C)C2 847653256 YJLBIZDGTAJAJF-JTQLQIEISA-N 244.290 2.579 30 20 BFED C=CCCOCC(=O)OCCCC1CCC1 849716578 ZRKMCXNXQCRDMO-UHFFFAOYSA-N 226.316 2.703 30 20 BFED C[C@@H](C#N)n1ccnc1[C@H](O)C1CCCCC1 849943841 XMPANMOLBJLREO-CMPLNLGQSA-N 233.315 2.581 30 20 BFED CC1CC(COC(=O)c2cccc(CC#N)c2)C1 851462407 VNXIHZKNJKACCR-UHFFFAOYSA-N 243.306 2.956 30 20 BFED C#C[C@@H](C)N(C)C[C@@H](CC)CC(F)F 851990532 TVKDOCLYPPCFBK-ZJUUUORDSA-N 203.276 2.621 30 20 BFED C#CCOCCN(C)[C@@H](C)C1CCCCC1 851992493 GKWNBAGQOVIOGM-ZDUSSCGKSA-N 223.360 2.537 30 20 BFED CCOCCON=Cc1cc2ccccc2n1C 853334535 JGHSYBJXJBVSKB-UHFFFAOYSA-N 246.310 2.565 30 20 BFED CCn1cccc1C=NN1CCCC[C@H]1C 853382085 SEODWOBBYBVCRJ-GFCCVEGCSA-N 219.332 2.716 30 20 BFED N#Cc1ccc(CCON=CC2CC2)cc1 853736376 YZQKRWICYGCNNC-UHFFFAOYSA-N 214.268 2.513 30 20 BFED CCCCCCCNC(=O)NOC1CCC1 858114072 VBCTVHZMQBHMLD-UHFFFAOYSA-N 228.336 2.740 30 20 BFED CCCCCCCNC(=O)[C@H](OCC)C1CC1 862356200 XPUANIFSEDJCNF-CYBMUJFWSA-N 241.375 2.888 30 20 BFED C#CCCCCCC(=O)NCC/C=C\C=C 881568993 ZEXMHUXHPQZVGO-VURMDHGXSA-N 219.328 2.819 30 20 BFED C=CC(C)(C)CC(=O)OCC1(CC#N)CC1 884648576 BRVHQHODBZGYNP-UHFFFAOYSA-N 221.300 2.826 30 20 BFED C#CC(C)(C)NC(=O)CCCCc1ccccc1 888965692 BQBBBLGTINVZJU-UHFFFAOYSA-N 243.350 2.927 30 20 BFED CC(C)[C@]1(C)C[C@H]1Nc1ccc(C#N)cc1CO 894162785 WSQALITVBOTVGN-CABCVRRESA-N 244.338 2.897 30 20 BFED C=C1CC(c2noc(C[C@@H](C)n3ccnc3)n2)C1 896874723 UDRCCRHESZYFKZ-SNVBAGLBSA-N 244.298 2.503 30 20 BFED C=C1CC(c2noc([C@@H]3CCO[C@@H](C)C3)n2)C1 896883174 FJVOECIBAWGAIQ-VHSXEESVSA-N 234.299 2.786 30 20 BFED C#Cc1ccc(N[C@H](C)[C@@H](C)OC)cc1 898498403 IVBAQMPVAMSPDV-GHMZBOCLSA-N 203.285 2.503 30 20 BFED C=C1CN(C(=O)c2ccc3c(c2)CCCC3)C1 898691169 MAVZGXSOTOXACI-UHFFFAOYSA-N 227.307 2.577 30 20 BFED C=C[C@@H](C)ON=C(C)c1ccc(F)c(O)c1 901261372 FYQGIIRXHPBQJY-MRVPVSSYSA-N 223.247 2.846 30 20 BFED CCn1ncc(/C=C\C(=O)c2sccc2C)n1 901474945 ZGTSXJLEUBWXKK-PLNGDYQASA-N 247.323 2.564 30 20 BFED C=CCC[C@@H](NCC(C(C)C)C(C)C)C(=O)O 901690697 OOPYFZIRHSIMML-CYBMUJFWSA-N 241.375 2.924 30 20 BFED C=CCS(=O)(=O)Cc1ccc(C(C)C)cc1 905239583 CJXWEOAHHBUTKD-UHFFFAOYSA-N 238.352 2.911 30 20 BFED CCCNN=C1CCc2ccccc2C1 915965491 KDNIIDYLVXWHNJ-UHFFFAOYSA-N 202.301 2.531 30 20 BFED C=CCN(Cc1ccc(N(C)C)cc1)C1CC1 917073808 BHFCWKOIHNHZTD-UHFFFAOYSA-N 230.355 2.903 30 20 BFED CO[C@H](CN[C@H](C)CC(C)(C)C#N)CC(C)C 926598173 HSSKIOMMUMAKJY-OLZOCXBDSA-N 240.391 2.965 30 20 BFED C#CCN(C(=O)Cc1cc(C)ccc1F)C(C)C 928624768 GNNAKPYPPRSRAN-UHFFFAOYSA-N 247.313 2.547 30 20 BFED C=C[C@@H](CC)CC(=O)NC[C@@H](OC)C(C)(C)C 933904054 MJGVRJOFRSBZCD-NWDGAFQWSA-N 241.375 2.766 30 20 BFED C=C[C@@H](CC)CC(=O)NCCc1cccc(O)c1 934943568 YPADSXSWRUBTTL-LBPRGKRZSA-N 247.338 2.653 30 20 BFED C=C(C)Cn1nc(C)nc1-c1ccccc1 1253223242 CBEJGVMTRZIJAJ-UHFFFAOYSA-N 213.284 2.830 30 20 BFED Cn1ccc(NN=C/C=C\c2ccc(F)cc2)n1 1255670794 PAJABLWKXXUJFS-VKNZHEPHSA-N 244.273 2.670 30 20 BFED C(=NOC[C@@H]1CCOC1)c1cccc2ccoc12 1261278043 UURSJGWPDVVZHP-LLVKDONJSA-N 245.278 2.820 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1nc(C)cs1 1262367740 FJKHWPHZRCWIJR-VIFPVBQESA-N 224.329 2.992 30 20 BFED CCC(C)(CC)C(=O)N(C)[C@@H](C)CC#N 1262822865 NDEBURCBHIQUPL-JTQLQIEISA-N 210.321 2.573 30 20 BFED Cc1c(C#N)cccc1C(=O)N[C@@H](C)C1CCC1 1327111874 ABTZCJDULGHZFB-NSHDSACASA-N 242.322 2.785 30 20 BFED C=CCC(F)(F)C(=O)N1CC(C)(C)C1(C)C 1327837817 BPKHQZWTCKZUEV-UHFFFAOYSA-N 231.286 2.845 30 20 BFED CCC(C)=NNc1cc(O)nc2ncccc12 1330891763 JODNTTHDGFUTJA-UHFFFAOYSA-N 230.271 2.533 30 20 BFED C=C(C)CCC(=O)Nc1cc(CO)ccc1C 1336405359 PXVBBDXKPSHPAS-UHFFFAOYSA-N 233.311 2.782 30 20 BFED C=C(C)[C@H](C)OC(=O)c1snnc1C(C)C 1343305445 DMTOSKUAXCCAHM-QMMMGPOBSA-N 240.328 2.783 30 20 BFED C#C[C@H](C)N(C)C(=O)N[C@H](C)c1ccc(F)cc1 1346394591 RYRUTOHUEXSGMJ-WDEREUQCSA-N 248.301 2.550 30 20 BFED CC[C@H](C#N)N(CC)C(=O)C(C)=C1CCC1 1518548591 JQOWGGSQXJTQPR-GFCCVEGCSA-N 220.316 2.637 30 20 BFED CCC/C(C)=C/C(=O)N(CC)[C@H](C#N)CC 1518562957 LYALCKBKDYYPED-ZKQHCESOSA-N 222.332 2.883 30 20 BFED Cn1cnc(CSc2cccc(F)c2C#N)c1 1559418891 NPIDKMMXSPPFOA-UHFFFAOYSA-N 247.298 2.723 30 20 BFED C=C(C)C[C@H](NCCCCC(C)C)C(=O)O 1588552805 AHNVVNYLYFAJOM-LBPRGKRZSA-N 227.348 2.822 30 20 BFED C=C(Cl)CNc1cccc(C(=O)O)c1OC 1602791178 BKRYYCJOALTYGB-UHFFFAOYSA-N 241.674 2.558 30 20 BFED C[C@@H]1C[C@H]1C=NNc1cccc(C(=O)O)c1F 1604684416 XJXIKSNAFXDSOH-SFYZADRCSA-N 236.246 2.578 30 20 BFED C=C(CC)CN1[C@@H](C)[C@H](C(=O)O)CC[C@H]1C 1776141221 FTUBCAVBIWJUTH-GRYCIOLGSA-N 225.332 2.526 30 20 BFED C=CCCCCN1CC[C@@H](C(=O)O)C1(C)C 1776207791 NNGAHNOMMUKKTG-NSHDSACASA-N 225.332 2.528 30 20 BFED CCC[C@@H](C)C(=O)Nc1ccccc1C#N 5591400 CHGLWMYODRIDFO-SNVBAGLBSA-N 216.284 2.933 30 20 BFED CCCCNc1nnc(S[C@H](C)C#N)s1 9141430 LCTNQQZXOSWJNS-SSDOTTSWSA-N 242.373 2.754 30 20 BFED N#Cc1ccc(CNCCc2ccccc2)cc1 19919877 MKIXKFFOMWNLAU-UHFFFAOYSA-N 236.318 2.891 30 20 BFED CCOC1CCN(c2ccc(C#N)cc2F)CC1 40690057 QBGQVXLETDMCRV-UHFFFAOYSA-N 248.301 2.703 30 20 BFED CC[C@@H](C#N)C(=O)N(Cc1cccs1)C1CC1 44824745 VZSDAQIRRSYDLD-JTQLQIEISA-N 248.351 2.789 30 20 BFED CC(C)N(CC1CC1)C(=O)c1cccc(C#N)c1 47861589 WOQIFUUUHHRECR-UHFFFAOYSA-N 242.322 2.819 30 20 BFED C[C@H](Nc1nccnc1C#N)c1cccs1 54377307 HOYIQUVGCPFJED-QMMMGPOBSA-N 230.296 2.583 30 20 BFED C=C(Cl)COC(=O)c1cc(Cl)ccc1N 58858657 JHRSICZVFPFCOX-UHFFFAOYSA-N 246.093 2.832 30 20 BFED C[C@H](CC#N)N(C)C(=O)c1cc2ccccc2[nH]1 63097879 HYLWWRMNSRXULX-SNVBAGLBSA-N 241.294 2.542 30 20 BFED C=C(C)CNC(=S)N1CCC[C@H]1C(C)C 63847272 SJVSZGRVFCQSKI-NSHDSACASA-N 226.389 2.557 30 20 BFED CCCCNC(=S)Nc1cc(C#N)ccc1C 63875685 RVWNFVWFEAUAMZ-UHFFFAOYSA-N 247.367 2.953 30 20 BFED C#CC(C)(C)NC(=O)C[C@@H](C)CC(C)(C)C 70118125 PGXHWLRTAUBLET-LLVKDONJSA-N 223.360 2.977 30 20 BFED CCN(CC)C(=O)c1ccccc1SCC#N 70236866 UEDDRQFMSCMZCH-UHFFFAOYSA-N 248.351 2.784 30 20 BFED N#CCCN(CCC#N)CC1CCCCC1 72947808 QCPFPTFVBAJWIC-UHFFFAOYSA-N 219.332 2.696 30 20 BFED COC[C@H](C)Sc1nc(C)cc(C)c1C#N 78926918 SYSYZONOWWOYJJ-JTQLQIEISA-N 236.340 2.697 30 20 BFED C#CCCN(C)[C@@H](C)Cc1ccccc1OC 88202990 HHNLFQNNBUXIIX-ZDUSSCGKSA-N 231.339 2.581 30 20 BFED CCC[C@@H](C#N)NC(=O)C1(CC)CCCC1 94901694 MFUPYZMTBNAOLK-NSHDSACASA-N 222.332 2.765 30 20 BFED N#Cc1cccc(NCCCC(F)(F)F)n1 97987428 IFBKEJYHMOBYEV-UHFFFAOYSA-N 229.205 2.708 30 20 BFED CCCC(C#N)(CCC)NC(=O)c1cc(C)no1 106422272 XLGUECAQVXIYQF-UHFFFAOYSA-N 249.314 2.575 30 20 BFED C#CCCOc1ccc(CNCCSC)cc1 113313350 YTPQLGCUBXNAQB-UHFFFAOYSA-N 249.379 2.541 30 20 BFED C[C@@H](CC1CCCC1)C(=O)NC(C)(C)C#N 114332487 BLKQBWWITCTTLS-JTQLQIEISA-N 222.332 2.621 30 20 BFED CC#CCNC(=O)C[C@H](C)CCCCC 121050205 DBHKGJJZDCMUFV-GFCCVEGCSA-N 209.333 2.732 30 20 BFED CCN(CCC#N)C(=O)c1ccc(F)cc1C 122897211 SOCKRKUZMHGKAG-UHFFFAOYSA-N 234.274 2.510 30 20 BFED C=C(C)CNC(=O)CCCOc1cccc(C)c1 122946780 VJEHVODXUPWJKG-UHFFFAOYSA-N 247.338 2.846 30 20 BFED C#Cc1cccc(NCc2nnc(C(C)C)o2)c1 126318253 KMVAHKKEZFWQBG-UHFFFAOYSA-N 241.294 2.786 30 20 BFED CN(Cc1ccc(C#N)s1)CC1CCC1 127768561 BEPZIFZROIDQBH-UHFFFAOYSA-N 220.341 2.852 30 20 BFED C=C(C)COCCNc1nccc2occc12 131987643 ZQCFRHDNSZHMAM-UHFFFAOYSA-N 232.283 2.832 30 20 BFED C=C[C@](C)(CC)C(=O)NC[C@H](O)C(CC)CC 135039466 ZECMDKSUAXDWFR-GXTWGEPZSA-N 241.375 2.502 30 20 BFED C=C[C@@H](C)Nc1c(F)cc(C#N)cc1F 135506285 LKRKQCTYKXHNGW-SSDOTTSWSA-N 208.211 2.823 30 20 BFED C=CCCOCC(=O)N(C)Cc1ccccc1C 143165723 GZYLWPFBDLJXFW-UHFFFAOYSA-N 247.338 2.546 30 20 BFED CCC(=CC(=O)OCC1(CC#N)CC1)CC 152384616 WLHDLZFXCLOHEY-UHFFFAOYSA-N 221.300 2.970 30 20 BFED C=CCn1c(SCC)nnc1-c1ccccn1 159646723 XSBCWSMINMVMAP-UHFFFAOYSA-N 246.339 2.638 30 20 BFED C=CC[C@@H](C)NC(=O)C[C@@H](C)c1c(C)n[nH]c1C 160649190 KQHQEUIGCBGTNJ-NXEZZACHSA-N 249.358 2.601 30 20 BFED C=C(C)CNC(=O)Cc1cccc(OCCC)c1 161019923 SPEYFAACHJPJKX-UHFFFAOYSA-N 247.338 2.710 30 20 BFED N#CCCCCSCCOCC1CC1 161867442 ARXYTEPLHRYGKG-UHFFFAOYSA-N 213.346 2.840 30 20 BFED CCN(CCC#N)C[C@@H]1CCOc2ccccc21 162455480 ZGCXGNHITZBTMQ-ZDUSSCGKSA-N 244.338 2.788 30 20 BFED C#CCCCNC(=O)[C@@H](C)Cc1ccccc1F 172929211 YAGFDXROWNLVDE-LBPRGKRZSA-N 247.313 2.534 30 20 BFED C#CCCCNC(=O)C[C@@H](CC)C(C)C 172943463 FDDXDCWDWMUNPA-GFCCVEGCSA-N 209.333 2.588 30 20 BFED CCCOC(=O)[C@@H](C)Sc1ccccc1C#N 173722344 JUZFUKBGLGYKBE-SNVBAGLBSA-N 249.335 2.992 30 20 BFED C#CCCCNC(=O)N[C@@H](C)c1cc(C)oc1C 174397468 ASBJRWJZGWCCBI-NSHDSACASA-N 248.326 2.670 30 20 BFED N#CCCCOC(=O)C1(Cc2ccccc2)CC1 175855708 FBNQSYPDOCJBQP-UHFFFAOYSA-N 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FVIOIRAGQDZJRQ-GHMZBOCLSA-N 212.337 2.567 30 20 BFED C[C@H]1CN(C(=O)CC(C)(C)C#N)C(C)(C)C1 787998562 YHOPCTNXBKJULT-SNVBAGLBSA-N 222.332 2.573 30 20 BFED C[C@@H]1CCCCC1=NN[C@@H](CO)c1ccccc1 788468456 LCHIOIDTLACYOM-DOMZBBRYSA-N 246.354 2.876 30 20 BFED CC[C@@H]1CCCC1=NNCCc1ccccn1 789105183 NQMQRGKGSQXYIC-GFCCVEGCSA-N 231.343 2.780 30 20 BFED C#C[C@@H](C)NC(=O)Nc1cc(Cl)ccc1F 789837182 UHEGXZUSXAWIER-SSDOTTSWSA-N 240.665 2.622 30 20 BFED C#CCCOc1ccc(C=NN[C@@H](C)CC)cc1 790181804 GBMMOEKRARJYAQ-ZDUSSCGKSA-N 244.338 2.811 30 20 BFED CCON=Cc1ccnn1-c1ccccc1C 794490246 MBWBOOOOPRELDQ-UHFFFAOYSA-N 229.283 2.551 30 20 BFED Cc1cc(NN=C2CCC[C@H]2CCF)ncn1 794913467 UVQLOBODMFAYRT-JTQLQIEISA-N 236.294 2.713 30 20 BFED N#Cc1ccccc1C=NNc1cccc(F)n1 795009702 IZGZAIPUCSHISM-UHFFFAOYSA-N 240.241 2.538 30 20 BFED Clc1c[nH]ccc1=NN=C1CCC12CCC2 799880822 IPSHFOZPCLRMRE-UHFFFAOYSA-N 235.718 2.889 30 20 BFED CC(C)C[C@H]1CCCN(CCO[C@@H](C)C#N)C1 801926258 CGTIKYOLVYWIIF-UONOGXRCSA-N 238.375 2.673 30 20 BFED Cc1cnc([C@@H](C)SCCO[C@@H](C)C#N)o1 802752328 UFWPLBAICHDCJP-WCBMZHEXSA-N 240.328 2.706 30 20 BFED C#C[C@@H](C)NC(=O)Nc1cc(F)ccc1Cl 806255030 ANHROUZUXUWTSO-SSDOTTSWSA-N 240.665 2.622 30 20 BFED CC[C@@H]1CCC1=NNC(=S)Nc1cccnc1 807947801 JPNZTFDCXWHQCR-SECBINFHSA-N 248.355 2.544 30 20 BFED C#Cc1ccc(CN2C[C@H](C)C[C@@H]2C)cc1 809579790 BAUQNVUOMNOQCS-OLZOCXBDSA-N 213.324 2.898 30 20 BFED N#CCOC(=O)CCCc1ccccc1Cl 811350173 KFSHHAGSKCFOTB-UHFFFAOYSA-N 237.686 2.729 30 20 BFED C#CCC(C)(C)C(=O)N1CCC(F)(F)[C@@H](C)C1 811600611 KHZKNSLPBWMXEP-JTQLQIEISA-N 243.297 2.540 30 20 BFED CC(=NOC/C=C\Cl)c1cncc(F)c1 811672208 STLBIGDKNBEVMO-FPZJHBACSA-N 228.654 2.714 30 20 BFED C#CCONC(=O)[C@H](CC)C1CCC(C)CC1 812786796 ROFLUEGYTLFXFF-WXRRBKDZSA-N 237.343 2.520 30 20 BFED Cc1cc(C=NOCC2CC2)cnc1Cl 814241676 MXCJNRWHWBWWPP-UHFFFAOYSA-N 224.691 2.804 30 20 BFED C=CCC(F)(F)C(=O)N(CC)Cc1ccoc1 815254869 PGYJPYBCYWWXOV-UHFFFAOYSA-N 243.253 2.840 30 20 BFED CCCC[C@](C)(F)C(=O)N1CCC(C#N)CC1 824714994 XIBLMVDNCNGUQI-ZDUSSCGKSA-N 240.322 2.667 30 20 BFED C#Cc1cccc(CN[C@H]2CCC[C@H]2C)c1 825227148 QZVCUYGSJGPQDO-DOMZBBRYSA-N 213.324 2.946 30 20 BFED C[C@H](CNC(=O)C#Cc1cccs1)C(C)(C)C 825964648 OLUIYIPSWYETMU-LLVKDONJSA-N 249.379 2.898 30 20 BFED C=CCCC(=O)N[C@H](CC)C(=O)c1ccccc1 831608906 NPMRZHPSDPNVNJ-CYBMUJFWSA-N 245.322 2.730 30 20 BFED C=CCCCCNC(=O)C(C)(C)SC 832330726 VADKKEFWNDEFPP-UHFFFAOYSA-N 215.362 2.601 30 20 BFED CC(=NNC[C@H](C)C#N)[C@@H]1CCCC[C@H]1C 834966064 XSVIKZGFIJLDMP-NQBHXWOUSA-N 221.348 2.938 30 20 BFED CC(CCc1ccsc1)=NNc1ccncn1 835000188 BGKKAPIJJOQDNK-UHFFFAOYSA-N 246.339 2.959 30 20 BFED C#CC[C@@H](OC(=O)CSC(F)F)C(C)C 835200917 QHDSDVKWJTYTSU-MRVPVSSYSA-N 236.283 2.533 30 20 BFED C=CCC(C)(C)C(=O)OC[C@@H](CCC)OC 835544268 RSXULYHSIIKWAZ-LLVKDONJSA-N 228.332 2.947 30 20 BFED C=CC(C)(C)COC(=O)c1ccc2cncn2c1 835721106 HJFFSHXYDAIZRD-UHFFFAOYSA-N 244.294 2.703 30 20 BFED C[C@@H]1CN(C(=O)C#CC2CC2)c2ccccc21 837345708 KZZJOTUMGXPARE-LLVKDONJSA-N 225.291 2.550 30 20 BFED CCc1cc(O)ccc1NC(=O)C#CC(C)(C)C 837578496 LAVCVSLZSUWCRE-UHFFFAOYSA-N 245.322 2.943 30 20 BFED CCC(=NOC1CCOCC1)[C@@H]1C[C@@H]1C 841634478 QNOQABPEECGYIP-GXSJLCMTSA-N 211.305 2.604 30 20 BFED C#CC(=O)N(Cc1ccc(CC)cc1)CC(C)C 843958355 YECFRQNVYOCTPQ-UHFFFAOYSA-N 243.350 2.867 30 20 BFED C(=NOC1CCOCC1)c1cccc2c1CCC2 844592951 JNZONADCKYQZNF-UHFFFAOYSA-N 245.322 2.705 30 20 BFED C=C[C@@H](C)ON=Cc1ccc(OCC)cc1O 844623305 LNJFIYDILBKANB-SNVBAGLBSA-N 235.283 2.716 30 20 BFED C=C(C)CONC(=O)N(C)Cc1ccccc1C 845590273 OUIJNVRDYQDGOY-UHFFFAOYSA-N 248.326 2.644 30 20 BFED C=C[C@@H](C)ONC(=O)N[C@@H](CC)C1CCCC1 845619975 ZGCPNRZAYSOZMP-PWSUYJOCSA-N 240.347 2.761 30 20 BFED C=C[C@@H](C)ONC(=O)N(CC)C[C@@H](C)CC 845628964 GNOYCOZNQVNMLQ-WDEREUQCSA-N 228.336 2.570 30 20 BFED C=CCN(Cc1ccc2nonc2c1)C(C)C 846776573 RXQFWDRRQIEMIV-UHFFFAOYSA-N 231.299 2.619 30 20 BFED C=CCCCCCCCNc1cc(=O)n(C)cn1 848706053 HXAFLIVULPABQW-UHFFFAOYSA-N 249.358 2.719 30 20 BFED C=CCC(C)(C)CNC(=N)NCC1CCC1 849030815 PTKSVMMSFUGHED-UHFFFAOYSA-N 223.364 2.503 30 20 BFED COc1cccc(COC(=O)CCCC#N)c1C 851461472 PPJIBUUFKDLCSC-UHFFFAOYSA-N 247.294 2.741 30 20 BFED C#Cc1cccnc1NC[C@@H]1CCCCS1 853475209 DQBUDJBTOGJEOD-LBPRGKRZSA-N 232.352 2.761 30 20 BFED CCOc1cncc(C=NN2CCCC[C@@H]2C)c1 857210819 DQRMFJXQRGJOOB-LBPRGKRZSA-N 247.342 2.689 30 20 BFED C#CCCOC(=O)N[C@@H](CC)c1ccccc1 858923111 YIXZYHNFAGLQJY-ZDUSSCGKSA-N 231.295 2.887 30 20 BFED C#CCCOc1ccc(CN2C[C@H]3C[C@H]3C2)cc1 862441701 ULKXHPSRGLXLCX-GASCZTMLSA-N 241.334 2.540 30 20 BFED C=C(C)C[C@H](NCc1cc(C)ccc1C)C(=O)O 864530841 NRZWGOSBVSQFMV-AWEZNQCLSA-N 247.338 2.812 30 20 BFED C=C[C@H](C)OC(=O)C1(C)CC(F)(F)C1 873520065 CEIYBLFTPCLKGJ-ZETCQYMHSA-N 204.216 2.540 30 20 BFED C#CCCCCCCN1CC([C@H]2CCOC2)C1 877489421 NMRFAZRJQBSNEI-AWEZNQCLSA-N 235.371 2.538 30 20 BFED C=CC(C)(C)CC(=O)NC[C@H]1CCO[C@H](C)C1 879375296 LCACBSIHOAQLFG-NEPJUHHUSA-N 239.359 2.520 30 20 BFED CO[C@@H](CNc1ccc(C)nc1C#N)C(C)(C)C 882040598 SJWLGZFYPMIHMJ-ZDUSSCGKSA-N 247.342 2.735 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@H](C)Cc1cccnc1 889680377 VZOKYJMMJWAKMQ-OLZOCXBDSA-N 246.354 2.731 30 20 BFED COc1ccc(CN(C)[C@H](C)CC#N)c(C)c1 891934146 RADQTFVYVVBCPM-GFCCVEGCSA-N 232.327 2.738 30 20 BFED C=CC1(OC(=O)C2Cc3ccccc3C2)CC1 893363999 KLWMQFLSXXLEMF-UHFFFAOYSA-N 228.291 2.663 30 20 BFED C#Cc1ccc(C(=O)N2CC[C@@H](C)[C@H]2CC)cc1 897432822 ZQRVKGJZKJGDGD-IUODEOHRSA-N 241.334 2.929 30 20 BFED C#Cc1ccc(N[C@H](C)C(=O)OC(C)(C)C)cc1 898498638 KTFBVMMPYMQNLV-LLVKDONJSA-N 245.322 2.810 30 20 BFED O=C(/C=C/c1scnc1C1CC1)c1cnc[nH]1 901540520 OAGMDDZHOCYJBA-ONEGZZNKSA-N 245.307 2.640 30 20 BFED C=C1CCN(Cc2ccc(/C=C\C(=O)O)o2)CC1 902231835 SMZFFDWGGZWVPA-PLNGDYQASA-N 247.294 2.529 30 20 BFED C=C[C@H](CC)CC(=O)O[C@H](C)c1ccnn1C 904982476 VCXGWTHHZOKJBF-GHMZBOCLSA-N 236.315 2.627 30 20 BFED CC(=NNc1cnccn1)c1ccc(C)s1 912961769 FYFRRKVQPXXOFJ-UHFFFAOYSA-N 232.312 2.683 30 20 BFED CC(=NNCc1ccc(F)c(F)c1)c1ccc[nH]1 915974650 KJIMIXYHDKLCPS-UHFFFAOYSA-N 249.264 2.807 30 20 BFED C[C@H]1CCCCC1=NNC(=S)NC(C)(C)C 916343529 HESRXZFEEQWQSA-VIFPVBQESA-N 241.404 2.815 30 20 BFED CCC[C@H](O)CCNC1CCC(C)(C#N)CC1 922819696 CMIRYFVLQCQTTC-MOKVOYLWSA-N 238.375 2.600 30 20 BFED C[C@H](C(=O)N1CCC[C@H](C#N)C1)c1ccsc1 928219641 AEQBLOZWALBESV-WDEREUQCSA-N 248.351 2.614 30 20 BFED C=C[C@H](CC)CC(=O)Nc1cnc(C)s1 935047470 ARBCKUNKQCCAPR-SECBINFHSA-N 224.329 2.992 30 20 BFED CCCCC(CC)=NNC(=S)NC(C)C 1116046829 OCROAJIPNZQSCO-UHFFFAOYSA-N 229.393 2.815 30 20 BFED C#CCN(C(=O)[C@@H](C)c1cccc(C)c1)C(C)C 1119643546 NKTGYAVWGYRKAW-AWEZNQCLSA-N 243.350 2.969 30 20 BFED C=C(C)CCC(=O)N(C)CC1CCCC1 1120684304 VJQWXXHFNGFQOR-UHFFFAOYSA-N 209.333 2.991 30 20 BFED C[C@@H]1CCCCN1N=Cc1ccc(Cl)cn1 1262036701 WYVABMNFKDHMEO-SNVBAGLBSA-N 237.734 2.943 30 20 BFED C=CCCOCCCCC(=O)NOC(C)(C)C 1324926044 APWNVBRWPKSDNF-UHFFFAOYSA-N 243.347 2.596 30 20 BFED N#Cc1ccc(S[C@H]2CCSC2)nc1 1330254444 BOQLKHGYJLNLEH-VIFPVBQESA-N 222.338 2.551 30 20 BFED C=CC(C)(C)CC(=O)N[C@H]1CCC[C@@H](F)C1 1332145898 MKAQMSLSJLNYPA-MNOVXSKESA-N 227.323 2.986 30 20 BFED C=CC[C@H](CC)NC(=O)c1ccc(C#N)cc1F 1337261010 WHVFROPIFRUPDF-NSHDSACASA-N 246.285 2.782 30 20 BFED C=C[C@H](COC)N[C@@H](C)c1ccc(OC)cc1 1338111483 CILDMDKEWAGOLK-WCQYABFASA-N 235.327 2.547 30 20 BFED CC[C@H](C#N)N(CC)C(=O)[C@H](C)c1ccc(C)o1 1338330279 XGMMXGLIIFMBNP-VXGBXAGGSA-N 248.326 2.842 30 20 BFED C=C(C)CCC(=O)Nc1n[nH]c(C)c1Cl 1339066778 ZBYPZGROTQJVIM-UHFFFAOYSA-N 227.695 2.666 30 20 BFED C[C@@H](CC#N)N(C)C(=O)c1sccc1C1CC1 1339291786 WNBQBVMBCHLSEC-VIFPVBQESA-N 248.351 3.000 30 20 BFED C=CCn1c([C@H]2C[C@H]2C)nnc1N(C)CCCC 1340420537 POENMOAKDMLXNJ-NEPJUHHUSA-N 248.374 2.824 30 20 BFED C=CCN(C)c1nnc([C@H]2CC=CCC2)n1CC 1341017354 GYVHHESUJWSXKT-LBPRGKRZSA-N 246.358 2.744 30 20 BFED C=C[C@H](COC)N[C@H](C)c1ccccc1OC 1342732797 MUIZPRVQPKLHBG-VXGBXAGGSA-N 235.327 2.547 30 20 BFED N#Cc1ccncc1C(=O)OCCCC1CCC1 1350079017 PXBCAIMKSJBDLZ-UHFFFAOYSA-N 244.294 2.690 30 20 BFED COc1cc(O)ccc1C=NN1CCCC[C@H]1C 1350465897 QKYHLYHKFNZMFY-LLVKDONJSA-N 248.326 2.609 30 20 BFED C=CCC[C@@H]1CCCN1c1ncnc2[nH]ccc12 1516126934 OPMFJGZOAGLEFN-LLVKDONJSA-N 242.326 2.893 30 20 BFED C=C(CC)C(=O)N1CCc2cccc(C)c2C1 1528307709 IMKASTQXKFTUSZ-UHFFFAOYSA-N 229.323 2.846 30 20 BFED C=C1CCN(C[C@H]2CCCC[C@H]2C(=O)O)CC1 1588651053 VMUGQSWOVQLRHZ-CHWSQXEVSA-N 237.343 2.529 30 20 BFED C=CC[C@H](SCc1ccccc1)C(=O)O 1602849597 PPCNMXVQWRNKJP-NSHDSACASA-N 222.309 2.949 30 20 BFED CCCn1cc(CN(CC)C[C@H](C)C#N)c(C)n1 1651960263 LPYPKGGHPYWWQB-GFCCVEGCSA-N 248.374 2.583 30 20 BFED CC[C@@H](C)N(C)CCOc1ccc(C#N)cc1 34674621 ZALDIWCBPAECOQ-GFCCVEGCSA-N 232.327 2.667 30 20 BFED O[C@H]1CCCC[C@@H]1C#Cc1ccccc1 36456305 LRCKFGSKDQTZAQ-KGLIPLIRSA-N 200.281 2.589 30 20 BFED CCN(Cc1ccccc1OC)C[C@H](C)C#N 43457267 RULUYKUFQDEQJL-GFCCVEGCSA-N 232.327 2.677 30 20 BFED CC(C)(C)CNC(=O)C1(C#N)CCCCC1 44386073 CTGCRENJORGPLA-UHFFFAOYSA-N 222.332 2.623 30 20 BFED CC[C@H](C#N)C(=O)N(C)[C@@H]1CCCC[C@@H]1C 44826812 XWVPRWXPJILTQB-QJPTWQEYSA-N 222.332 2.573 30 20 BFED Clc1ccc(NN=C2CCCCC2)nn1 45330563 IGYZRFWTHPMARF-UHFFFAOYSA-N 224.695 2.862 30 20 BFED C[C@H](Sc1ccc(Cl)cc1C#N)C(=O)O 52856499 DQPLPXRPMFVRPX-LURJTMIESA-N 241.699 2.777 30 20 BFED CC[C@H](CC#N)NC(=O)c1ccc(C)c(C)c1 54177354 BRAILYDZVALHDE-CYBMUJFWSA-N 230.311 2.726 30 20 BFED CC[C@H](C(=O)N[C@H](CC)CC#N)c1ccccc1 54177372 RPAGEMKZGBLJIJ-KGLIPLIRSA-N 244.338 2.989 30 20 BFED CCCCCCCCNC(C)(C)C(=O)OC 59460401 ZXLNWMBEERDMTH-UHFFFAOYSA-N 229.364 2.888 30 20 BFED CC[C@@H](C#N)C(=O)N1CCCc2ccccc2C1 62946010 ORJXJPFANXILMN-LBPRGKRZSA-N 242.322 2.511 30 20 BFED CC1(C)C(C(=O)N(CCC#N)CC2CC2)C1(C)C 73382467 HIBYBIOYMMMJBH-UHFFFAOYSA-N 248.370 2.821 30 20 BFED CC(C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1 84553482 DVXXCLSKYZFGBO-AWEZNQCLSA-N 243.354 2.525 30 20 BFED C=CCN(CCC1CCCCC1)CC(=O)O 87474468 GYVOEDHHYOHGNG-UHFFFAOYSA-N 225.332 2.529 30 20 BFED COc1cccc2ccc(CS)nc12 87780933 WYJJRBANYHIONC-UHFFFAOYSA-N 205.282 2.673 30 20 BFED C=CCCOCCN[C@H](C)CCc1ccco1 90883455 SSSGRMKRXBVWGX-CYBMUJFWSA-N 237.343 2.783 30 20 BFED CCCN(CC#N)Cc1c(C)nn(CCC)c1C 92398022 AKWPBGXMHDWLLE-UHFFFAOYSA-N 248.374 2.646 30 20 BFED C=CCOC(=O)c1cnn(CC(C)C)c1C1CC1 92846324 HIPLRUDSIOJMIM-UHFFFAOYSA-N 248.326 2.759 30 20 BFED N#Cc1ccc([C@H]2CCc3cncn32)c(Cl)c1 103231333 ANDDLZUJSXKNMN-CYBMUJFWSA-N 243.697 2.944 30 20 BFED C#CCOc1ccccc1CN[C@H](C)CC=C 116926651 YQKUUZBZBDWHKZ-CYBMUJFWSA-N 229.323 2.753 30 20 BFED C=C(C)CNCc1c[nH]nc1-c1ccccc1F 119631111 GDRLRNXFOJYUND-UHFFFAOYSA-N 245.301 2.882 30 20 BFED CC#CCNC(=O)[C@H](C)CCc1ccccc1F 121538761 MOIKUAUJOXWIRO-GFCCVEGCSA-N 247.313 2.534 30 20 BFED C=CCOC(=O)[C@H](C)Oc1cccc(Cl)c1 123894453 UHJBXQBXCLFXIX-VIFPVBQESA-N 240.686 2.837 30 20 BFED C=CCCO[C@@H](C)C(=O)Oc1ccccc1C 125010283 YVSHPXBWQRWIRK-LBPRGKRZSA-N 234.295 2.882 30 20 BFED C=C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1 128627664 PTMSVGFHOICIKD-GHMZBOCLSA-N 218.300 2.621 30 20 BFED Cc1ccc(F)cc1CNCC(C)(C)C#N 134976449 DBCAIAGNDLQGRY-UHFFFAOYSA-N 220.291 2.774 30 20 BFED CCC1(C)CCN(c2cnccc2C#N)CC1 135606693 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Cc1ccc(CN(C)C(=O)C#CC2CC2)cc1C 837694081 ZYBJPNBPURUNBX-UHFFFAOYSA-N 241.334 2.675 30 20 BFED N#C[C@]1(C(=O)OC2CCCC2)CC12CCCC2 837901691 AMAIRNCZQUVREF-AWEZNQCLSA-N 233.311 2.946 30 20 BFED C=CCCCOC(=O)[C@@]1(C#N)CC12CCCC2 837906307 QSFGKXTVTDWDTK-AWEZNQCLSA-N 233.311 2.970 30 20 BFED CCC(=NN[C@@H]1CCSC1)[C@@H]1C[C@@H]1C 841638845 ZIERKOFYCAFBCW-IVZWLZJFSA-N 212.362 2.504 30 20 BFED C#C[C@@H](C)NC(=O)[C@@H](C)c1ccc(Cl)cc1 844563122 WGEGEZYTWRYWQO-ZJUUUORDSA-N 235.714 2.581 30 20 BFED C=C[C@H](C)ON=C1CCO[C@@H](C(C)C)C1 844622018 SALNOVHDWFZFBR-CMPLNLGQSA-N 211.305 2.769 30 20 BFED C=C[C@H](C)ONC(=O)NCC1(CC(C)C)CC1 845630157 NGNIPRQXEHCACQ-NSHDSACASA-N 240.347 2.618 30 20 BFED C=C[C@@H](C)ONC(=O)NCC1CCC(C)CC1 845641668 LBEDGOZQYVDSQE-MOENNCHZSA-N 240.347 2.618 30 20 BFED C=CCCOC(=O)[C@@H](C)Cc1ccc(C#N)cc1 847629381 AXIVQHIHGRMIEI-LBPRGKRZSA-N 243.306 2.856 30 20 BFED C=C[C@H](CC)OC(=O)c1cn(C(C)C)nc1C 847675444 VFSZWOOMLIDMFP-LLVKDONJSA-N 236.315 2.894 30 20 BFED C#C[C@@H](C)OC(=O)c1cccc(C(C)C)c1 850856706 CXFLBRPBDLGDFU-LLVKDONJSA-N 216.280 2.989 30 20 BFED C/C=C(/C)C(=O)O[C@@H](C)CC(C)(C)C#N 851207716 GLRQQQKROLUTEO-MBACFSSFSA-N 209.289 2.824 30 20 BFED C#CCCCN1CCC[C@H]([C@@H]2CCCCO2)C1 852594834 DEOGPXQVRNGOGE-GJZGRUSLSA-N 235.371 2.681 30 20 BFED C#CCOCCOc1ccc(Cl)cc1F 853014505 SXTOEWWSQVKDFR-UHFFFAOYSA-N 228.650 2.508 30 20 BFED C#CCON=C[C@H]1CCC[C@@H](C(F)(F)F)C1 853348001 WSYYFCWCUFZEAW-VHSXEESVSA-N 233.233 2.991 30 20 BFED CC(C)C#CC(=O)N[C@H](C)CC(C)(C)C 854900603 RBBLCFURSCZRJO-LLVKDONJSA-N 209.333 2.587 30 20 BFED CC#CCCNC(=O)/C=C(\C)c1cccs1 857173306 CVNDLMHMOCVXDK-ZHACJKMWSA-N 233.336 2.681 30 20 BFED CC(C)CCOC(=O)N(C)CC(C)(C)C#N 859169687 PGTPLMDBFSJUQC-UHFFFAOYSA-N 226.320 2.651 30 20 BFED C=CCN(C(=O)[C@@H](CCC)OCC)C(C)C 859190592 VLJLJGLRGSKMFE-GFCCVEGCSA-N 227.348 2.615 30 20 BFED CC(=NOCC(C)C)c1nc(C)cs1 863103528 BXSQTYJTONQZGK-UHFFFAOYSA-N 212.318 2.848 30 20 BFED Cc1cc(NN=C2CC[C@H](C)[C@H](C)C2)nc(N)n1 872420229 ATQKLBPRGOHTCU-DTWKUNHWSA-N 247.346 2.591 30 20 BFED CCC[C@@H](CC)C(=O)N(CC)C[C@H](C)C#N 874072030 KELCQXLEZJNLNM-VXGBXAGGSA-N 224.348 2.821 30 20 BFED C=CC1CCN(C(=O)C2(C)CC(F)(F)C2)CC1 874455422 YCRGCTQIQLGPBK-UHFFFAOYSA-N 243.297 2.846 30 20 BFED C#CCCCCCCNC[C@@H]1CCC=CO1 877459934 PATYNDNCBYSHOU-AWEZNQCLSA-N 221.344 2.852 30 20 BFED C=C[C@](C)(O)c1cn(CCC2CCCCC2)nn1 881316416 PYSCNXJTOWPHFJ-AWEZNQCLSA-N 249.358 2.642 30 20 BFED C=C1CCC(C(=O)OCc2cccnc2)CC1 885651958 JZEGTPHSKAOCGA-UHFFFAOYSA-N 231.295 2.871 30 20 BFED C=CCN(CC=C)Cc1cnn(C2CCC2)c1 891449503 YCHMLEBEXOWWAW-UHFFFAOYSA-N 231.343 2.782 30 20 BFED CCC[C@H](O)CCNc1ccc(C#N)cc1F 896191979 SUCWQTWQJJJLSB-NSHDSACASA-N 236.290 2.660 30 20 BFED COc1cc(C)ccc1CN1CCC[C@H](C#N)C1 896506145 RFMMFUFAOJBJHF-CYBMUJFWSA-N 244.338 2.739 30 20 BFED C#CCCCCCCN1CCC[C@@H]1CC(=O)O 902006789 GPODCLXFKJVTHI-CYBMUJFWSA-N 237.343 2.509 30 20 BFED C#CCN(C(=O)Nc1ccccc1C)C(C)C 902937611 LLQUOCJDEQGPHR-UHFFFAOYSA-N 230.311 2.871 30 20 BFED C[C@H](NCC1(C#N)CC1)c1cc(F)cc(F)c1 903101532 IBJBSSOBACRTJO-VIFPVBQESA-N 236.265 2.919 30 20 BFED C=C(Cl)COC(=O)[C@@H](OC)c1ccccc1 917268773 CUHNOGVMVWNKIR-NSHDSACASA-N 240.686 2.670 30 20 BFED CCCC[C@@H](C)NCCNc1ccc(C#N)cn1 927165322 PKSAAZNJHDNIPL-GFCCVEGCSA-N 246.358 2.533 30 20 BFED CCC[C@@H](C)NC(=O)c1cc(C#N)ccc1C 929717311 DMLVBWICEWLWLG-LLVKDONJSA-N 230.311 2.785 30 20 BFED C#CCCCNC(=O)[C@H](C)c1ccccc1C 933690283 FAHBNMPNXWGXEQ-CYBMUJFWSA-N 229.323 2.628 30 20 BFED C=C[C@@H](CC)CC(=O)NC1Cc2ccccc2C1 935395327 BFZVFXUSZWLBDS-LBPRGKRZSA-N 243.350 2.872 30 20 BFED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)CC#N 1116640861 HBRGZFGIWIFFGT-AGIUHOORSA-N 236.359 2.725 30 20 BFED C=C[C@H](C(=O)NC[C@@H]1C[C@@H]1C)c1ccccc1 1123499962 ZGOGUQOHIRBNMX-UBHSHLNASA-N 229.323 2.728 30 20 BFED CCc1cc(Nc2cccc(CC#N)c2)ncn1 1163318782 AMBZEURGDCVHAE-UHFFFAOYSA-N 238.294 2.849 30 20 BFED C=C(C)CCNCCCCCCNC(=O)CC 1177685857 FOIRFPYZTPISNA-UHFFFAOYSA-N 240.391 2.629 30 20 BFED C[C@@H](NC(=O)CC#N)c1ccc(Cl)c(F)c1 1325747435 GEWIIZOPLHVSRQ-SSDOTTSWSA-N 240.665 2.570 30 20 BFED c1cnc2c(c1)C(=NOC1CCC1)CCC2 1329730978 LAKZDUZRHHMGRV-UHFFFAOYSA-N 216.284 2.691 30 20 BFED C=C(C)[C@H](CC(=O)NCCCC(F)F)OCC 1337864580 IJQFDOFVWCCZPV-JTQLQIEISA-N 249.301 2.519 30 20 BFED C=C(C)Cn1c(CCC)nnc1N(CC)CC 1341966640 OZKGORBOZMBGQJ-UHFFFAOYSA-N 236.363 2.653 30 20 BFED C=CCCCCOC(=O)[C@H]1CCC[C@H]1OC 1343650987 KORGBKKUNAWZRX-NWDGAFQWSA-N 226.316 2.701 30 20 BFED N#CC[C@H](OC(=O)C=C1CCC1)c1ccco1 1346719694 CBTWBEVIACMHEA-LBPRGKRZSA-N 231.251 2.888 30 20 BFED C=C(CC(C)C)C(=O)Nc1nccn1C1CC1 1349940665 GMCNACQNKMOWDE-UHFFFAOYSA-N 233.315 2.759 30 20 BFED CN(CC1CC1)C(=O)[C@@H](CC#N)c1ccccc1 1354645749 KBEMCUWCSWWAHU-AWEZNQCLSA-N 242.322 2.552 30 20 BFED CCC[C@H](C(=O)[C@H](C#N)c1nccn1C)C(C)C 1356567004 JHRQNIAIFGIPQA-RYUDHWBXSA-N 247.342 2.669 30 20 BFED CC[C@H](F)C(=O)O[C@@H](C)c1cccc(C#N)c1 1518198963 FSXJRVBOGGXBCE-CABZTGNLSA-N 235.258 2.911 30 20 BFED N#Cc1cccc(C#N)c1NC/C=C\Cl 1651495091 LMTBIEZRSMJHJY-DJWKRKHSSA-N 217.659 2.594 30 20 BFED C=CC[C@]1(C(=O)O)CCCN([C@@H]2C=CCCC2)C1 1776154672 SOCRBRDGYQNAPW-HIFRSBDPSA-N 249.354 2.838 30 20 BFED C=CCN(CCC)[C@H]1CC[C@@H](CC(=O)O)C1 1776179790 IHVBPBWHDIFFTJ-NEPJUHHUSA-N 225.332 2.528 30 20 BFED N#CCCN(c1ccccc1)[C@H]1CC[C@@H]1F 1898235332 KJWYCHRRIQNIRH-STQMWFEESA-N 218.275 2.907 30 20 BFED CCCCCCCCOC(=O)C(C)(C)O 1694876 MRMFDCMEHASSBE-UHFFFAOYSA-N 216.321 2.661 30 20 BFED CCCC[C@@H](CC)C(=O)N(CCC#N)CCC#N 6652243 FERHWAFFMKCKGZ-CYBMUJFWSA-N 249.358 2.859 30 20 BFED N#Cc1ccc(COc2ccc(CO)cc2)cc1 20031270 DJAFPWSBWHSKEJ-UHFFFAOYSA-N 239.274 2.630 30 20 BFED C[C@H](CCc1ccccc1)NCCCC#N 44294823 VFCOBZBIYJFSAF-CYBMUJFWSA-N 216.328 2.901 30 20 BFED CC[C@@H](C#N)C(=O)Nc1ccc(C)c(C)c1 44812081 NQTVXFJPMRAQIC-NSHDSACASA-N 216.284 2.792 30 20 BFED CC[C@H](C#N)C(=O)NCCC1=CCCCC1 44823967 OEOMUGNPBIICDC-GFCCVEGCSA-N 220.316 2.543 30 20 BFED CCCCN(C(=O)[C@H](C)C#N)[C@@H](C)CC 44826753 OTVGXCJZGJCSLS-MNOVXSKESA-N 210.321 2.573 30 20 BFED C=C(Br)CN1CCCC[C@@H]1C 52440637 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C[C@@H]1C[C@H]2CCCC[C@@H]2N1CCCC#N 75837425 NESOQWSTYBQBOG-UPJWGTAASA-N 206.333 2.943 30 20 BFED CC(C)CCN(CCC#N)Cc1cccnc1 78662463 OLUOTQOIJMHDDO-UHFFFAOYSA-N 231.343 2.843 30 20 BFED CCCCCCCN1CCC[C@H]1CC(=O)O 105896966 UQPYGRRZSKKMNW-LBPRGKRZSA-N 227.348 2.896 30 20 BFED CN(C[C@@H]1CCCOC1)c1ccc(F)cc1C#N 107065696 QFFITKYSBOLUEL-NSHDSACASA-N 248.301 2.560 30 20 BFED CC1=NN(c2cccc(C#N)c2)C(=O)[C@H]1C(C)C 108459889 XASCCBMUWSLQQD-ZDUSSCGKSA-N 241.294 2.553 30 20 BFED CN(C(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 110086425 PXIGDVGNSLORSM-UHFFFAOYSA-N 249.701 2.838 30 20 BFED CC[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1C#N 112466060 ALBHUJVEIFRJTF-LLVKDONJSA-N 245.282 2.845 30 20 BFED C=CCCN1CCO[C@@](C)(c2ccccc2)C1 121926418 UKRJOZVJZBAGDZ-OAHLLOKOSA-N 231.339 2.810 30 20 BFED CC(C)(CCC#N)CNC1CCSCC1 126780178 KERXNSKPVHCNAF-UHFFFAOYSA-N 226.389 2.802 30 20 BFED CCCCS[C@@H](C)C(=O)N[C@@](C)(C#N)CC 127038926 SURVIKJBENVWCP-CMPLNLGQSA-N 242.388 2.717 30 20 BFED CC(C)(CCC#N)CNCCc1ccncc1 127339901 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C=CCCCC(=O)N1CCC(C=C)CC1 175620170 DKXFQBHEPXDRNB-UHFFFAOYSA-N 207.317 2.767 30 20 BFED CC(C)[C@H](C#N)OC(=O)c1cccc2cc[nH]c12 176794529 ZKXIMKGIRSEJQA-LBPRGKRZSA-N 242.278 2.873 30 20 BFED CCN(Cc1ccc(F)c(C#N)c1)C1CC1 176806989 KHWZWFISEKZAPU-UHFFFAOYSA-N 218.275 2.682 30 20 BFED C#CCCCNCc1cc(F)cc2cccnc12 177791915 XMFMPLWAWHMNSE-UHFFFAOYSA-N 242.297 2.877 30 20 BFED CCc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1 179896167 SVUVMQXNOKHCQA-UHFFFAOYSA-N 239.278 2.701 30 20 BFED CC[C@@H](C)[C@H](C)NCCCSCC#N 183049750 WTHPSRSFOAQWFZ-MNOVXSKESA-N 214.378 2.657 30 20 BFED C=CCC1(C(=O)OCCOC(C)C)CCC1 192115022 LBSRLHVEEOALPU-UHFFFAOYSA-N 226.316 2.701 30 20 BFED C=C(C)COC(=O)c1cc(-c2ccc(C)o2)n[nH]1 194065395 FUEXMAXGYITAJW-UHFFFAOYSA-N 246.266 2.711 30 20 BFED N#Cc1ccc(CC(=O)Oc2ccccc2)cc1 194705463 TYRWNBLYQOUWCB-UHFFFAOYSA-N 237.258 2.706 30 20 BFED CC[C@H](CC#N)N[C@H]1CCC[C@@H](SC)C1 234009343 AIMGMMXSTYDVQT-GRYCIOLGSA-N 226.389 2.942 30 20 BFED C=CCCC[C@@H](C)NC(=O)[C@@H]1[C@H]2CCC[C@H]21 245969925 ZOUXSOBBLMMEOI-NDBYEHHHSA-N 221.344 2.894 30 20 BFED C[C@@H](C#N)CN(C)C[C@@H]1C[C@H]2CC[C@H]1C2 251124498 RYPXJMKIVSEMFP-CYDGBPFRSA-N 206.333 2.514 30 20 BFED C#CCN(C)[C@@H](C)c1ccc(F)c(F)c1 253608919 WUPPFVQMIMLOPO-VIFPVBQESA-N 209.239 2.591 30 20 BFED Oc1ccccc1/C=N\C[C@H]1CCCS1 255327305 VNYWLDUWWPHIAW-JYVXZMADSA-N 221.325 2.707 30 20 BFED C=CCCCCC[C@@H](C)N[C@H](C)C(=O)O 263433936 TVVOXLPVJUEXQS-GHMZBOCLSA-N 213.321 2.574 30 20 BFED C[C@H]1CCN(c2snc(Cl)c2C#N)C1 263784090 ZLMKQRAPCGMEPQ-LURJTMIESA-N 227.720 2.514 30 20 BFED N#CCCN1CCC(Cc2ccccc2F)CC1 264759648 XSYDUENVXQBGDS-UHFFFAOYSA-N 246.329 2.994 30 20 BFED C=CCC(CC=C)C(=O)Nc1cccc(CO)c1 268358987 SZRYXJSOEPGCGX-UHFFFAOYSA-N 245.322 2.886 30 20 BFED C[C@@H](NCCCC#N)c1ccccc1N(C)C 273308192 WBVBSZUNDDLORH-GFCCVEGCSA-N 231.343 2.707 30 20 BFED CC(C)(C)[C@H](C#N)NC(=O)C[C@H]1C=CCCC1 275023174 IQEHEHWMIHAQBJ-RYUDHWBXSA-N 234.343 2.787 30 20 BFED C=C(C)[C@@H](CC(=O)NCCC=C(C)C)OCC 276717716 RQIKDKBVVUFOPI-CYBMUJFWSA-N 239.359 2.830 30 20 BFED CCN(C)C(=O)c1ccc(C(C)(C)C#N)cc1 280972930 TWOWWVAOIHBMPU-UHFFFAOYSA-N 230.311 2.580 30 20 BFED C=CC[C@@H](CC)NC(=O)N[C@H](C)c1ccccn1 281063344 RVFACHBLTAGGIE-VXGBXAGGSA-N 247.342 2.797 30 20 BFED C=C(C)CSCc1ncnn1C(C)(C)C 282678495 SMWNCWAXLQMKPL-UHFFFAOYSA-N 225.361 2.842 30 20 BFED CCC(C)(C)CNC(=O)c1ccc(F)c(C#N)c1 284938372 NZNCAWBMONZGHP-UHFFFAOYSA-N 248.301 2.863 30 20 BFED C=CCN(CCC#N)C(=O)Nc1cccc(C)c1 291870440 WOQRMHPWDDAHOU-UHFFFAOYSA-N 243.310 2.929 30 20 BFED CC#CCN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] 293110281 LQXUYBWRVIUNLH-NSHDSACASA-N 232.283 2.611 30 20 BFED CC[C@H](CC#N)NCc1cccc(O)c1Cl 293697846 SVGFCGLOLGDPQX-SNVBAGLBSA-N 238.718 2.827 30 20 BFED CC#CCN(C)C(=O)CCc1ccc(CC)cc1 294727995 ZDBNLPMLOXIVKH-UHFFFAOYSA-N 243.350 2.663 30 20 BFED C=CCN(C)C(=O)c1ccc(C2CC2)nc1C 295804287 SSBAEJCVRXWWEE-UHFFFAOYSA-N 230.311 2.525 30 20 BFED CC(=O)c1ccc(CN(C)[C@H](C)CC#N)cc1 296827997 RQLFEVYEWAOFKQ-LLVKDONJSA-N 230.311 2.623 30 20 BFED N#Cc1ccc(Sc2cccs2)nn1 301827645 FSEUXFDKDCAVFW-UHFFFAOYSA-N 219.294 2.561 30 20 BFED C[C@H]1C[C@H](C)CC[C@H]1Nc1ccc(C#N)nn1 301960283 HKSPUVGQDDFDRQ-JFGNBEQYSA-N 230.315 2.585 30 20 BFED Cc1ccc(C(C)(C)C/N=C(\N)NC(C)C)cc1 303976984 KPHICQBBKMNGLR-UHFFFAOYSA-N 247.386 2.585 30 20 BFED C[C@@H]1CSC[C@@H]1Nc1ccc(C#N)cc1 308964630 LRQUNIKFBDTMGU-SKDRFNHKSA-N 218.325 2.722 30 20 BFED C=CCCN[C@@H](C)c1ccncc1CC 309040488 KYYKXLJNSDXFKI-NSHDSACASA-N 204.317 2.871 30 20 BFED C=C[C@@H](CO)NCc1csc2ccccc12 309481950 DXLGGPWHKXJZKZ-NSHDSACASA-N 233.336 2.538 30 20 BFED CC#CCNc1c(F)ccc(OCC)c1F 309678128 YMBRSSUWJSCTFC-UHFFFAOYSA-N 225.238 2.799 30 20 BFED C#CCCCNc1ccc(F)c(C(C)=O)c1 309715069 YLAVSXUQXCWVIW-UHFFFAOYSA-N 219.259 2.854 30 20 BFED C[C@@H](C#N)C(=O)N1CC[C@H](C)c2ccccc21 310181043 UCCWXTPOCAXLBM-QWRGUYRKSA-N 228.295 2.686 30 20 BFED CCN(C[C@H](C)C#N)C(=O)C(C)(C)C1CCC1 322191914 AAMRKUCPLGKBER-LLVKDONJSA-N 236.359 2.821 30 20 BFED CC(C)(C#N)CNCc1cccc(O)c1Cl 328491892 SPSGSJIENQICHQ-UHFFFAOYSA-N 238.718 2.685 30 20 BFED CC[C@H](CC(F)(F)F)/N=C(/O)c1cnc(C)[nH]1 330877067 VWROWXCTHABNNE-SSDOTTSWSA-N 249.236 2.754 30 20 BFED C[C@H](c1ccc(C#N)cc1)N1CC[C@H](F)C1 334698808 DZPKSVSZTFZSIP-MFKMUULPSA-N 218.275 2.663 30 20 BFED N#Cc1nc(NC2(CF)CCC2)ccc1Cl 335428817 GWRPULJZPGURLJ-UHFFFAOYSA-N 239.681 2.911 30 20 BFED C=C[C@@H](C)NC(=O)c1ccc(F)cc1Cl 335686456 VBVYBBGGGGTQHL-SSDOTTSWSA-N 227.666 2.783 30 20 BFED CCN(CC#N)C(=O)c1cccc2ccsc12 335763941 JTLRYIMNBYMGNU-UHFFFAOYSA-N 244.319 2.887 30 20 BFED C=CC1CCN(c2cc(C)nc(C#N)c2)CC1 335866846 GZORUCJLWKAPRF-UHFFFAOYSA-N 227.311 2.664 30 20 BFED CC(=O)Nc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 335880293 VYFCXAMDQFHURT-RISCZKNCSA-N 243.310 2.749 30 20 BFED N#Cc1cnc(N2CC[C@H](C3CC3)C2)c(Cl)c1 335936404 MYIVAEPOWXQCHD-NSHDSACASA-N 247.729 2.843 30 20 BFED CC[C@]1(C)C[C@H]1C(=O)N1CCC(C)(C#N)CC1 335972728 JYEUGGVGGRLUGN-SMDDNHRTSA-N 234.343 2.575 30 20 BFED C=CCCN(C)[C@@H]1C[C@H](OCC)C12CCC2 338547158 LYMUXPXQYQOIHG-OLZOCXBDSA-N 223.360 2.842 30 20 BFED C=CCOCCN(C)CC1(c2ccccc2)CC1 339106884 BJKJYTXMQQRSKM-UHFFFAOYSA-N 245.366 2.853 30 20 BFED CC#CCN(C)C(=O)[C@@H](C)CC1CCCC1 341038673 MJIOSXUOUSJHGJ-LBPRGKRZSA-N 221.344 2.685 30 20 BFED N#Cc1cccc(CN2CC[C@H](C3CC3)C2)c1F 341118130 GGSRYRCXXKTTJM-ZDUSSCGKSA-N 244.313 2.929 30 20 BFED C=C(C)CN1CCC(NC2CC(CC)C2)CC1 342702934 VEUFNKUTKCGKKY-UHFFFAOYSA-N 236.403 2.805 30 20 BFED CSc1ccc(C(=O)N(CC#N)C2CC2)cc1 346472011 CLQNXFWTKQRTOT-UHFFFAOYSA-N 246.335 2.537 30 20 BFED C=CCOCCCN1CCc2c(F)cccc21 348040334 VFJLWQZCWJUJIR-UHFFFAOYSA-N 235.302 2.781 30 20 BFED C=CC[C@@H](C)NC(=O)c1cc(C)n([C@H](C)CC)n1 349990179 CVGQLSBAPRPZPM-GHMZBOCLSA-N 249.358 2.857 30 20 BFED C=CCN(CCc1ccco1)C[C@H]1CCCOC1 352720984 PKIGEQXVDIVWPI-CQSZACIVSA-N 249.354 2.737 30 20 BFED CCC[C@@H](C)CC(=O)N(C)CC(C)(C)C#N 353242878 LOFCBRWPQHBMST-LLVKDONJSA-N 224.348 2.821 30 20 BFED Cc1noc([C@@H]2CCCCN2CCCCC#N)n1 353550751 PLGAUTACMYKTOR-LBPRGKRZSA-N 248.330 2.599 30 20 BFED C=CCOCC(=O)Nc1ccccc1SC 354557354 GRIITFFWBMAWNC-UHFFFAOYSA-N 237.324 2.550 30 20 BFED CC(C)CCN(CCC#N)C(=O)C[C@@H]1C[C@@H]1C 354825617 SWTBXVQYXXQVAV-STQMWFEESA-N 236.359 2.821 30 20 BFED N#CC1(N(C(=O)C[C@H]2C=CCC2)C2CC2)CCC1 357423720 IWCHHNYOBOJWRS-LBPRGKRZSA-N 244.338 2.780 30 20 BFED C=C(CC)CS[C@@H](C)C(=O)N(C)C(C)C 358637619 PIVHMTNSMPBFAQ-NSHDSACASA-N 229.389 2.941 30 20 BFED C=CCN(CC=C)CCCO[C@@H]1CCCCO1 358807123 OTCLLYCTCQCBMK-CQSZACIVSA-N 239.359 2.594 30 20 BFED C=CC1CCN(C[C@H](O)CCC(C)C)CC1 360703584 OGMDZPGTUOGBIQ-CQSZACIVSA-N 225.376 2.682 30 20 BFED C=CCN(CCOC)C[C@@H]1C[C@H]2CC[C@H]1C2 361649025 WLKLHCCKFLAJSE-IHRRRGAJSA-N 223.360 2.557 30 20 BFED C=CCCCN1CCCC2(CCOCC2)C1 375901047 AJJYYBYMFLFXID-UHFFFAOYSA-N 223.360 2.845 30 20 BFED C=C(C)CCN[C@@H](C)CC(=O)Nc1ccccc1 386836112 WVUGXUUXPJMFKF-ZDUSSCGKSA-N 246.354 2.960 30 20 BFED C#CCCNc1ccc(OC(F)F)cc1F 393768908 FUCYDGBMLBKRLI-UHFFFAOYSA-N 229.201 2.862 30 20 BFED Cc1cc(N2CCC[C@H](C)CC2)c(C#N)cn1 399473588 ZOEGVHGIMQGBHU-NSHDSACASA-N 229.327 2.888 30 20 BFED CCN(CC=C(Cl)Cl)CCC#N 403513960 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2.798 30 20 BFED C=CCC[C@@H](CC)N[C@H](C)CC(C)(C)O 449449568 LZFSPMBXRIWWQO-VXGBXAGGSA-N 213.365 2.870 30 20 BFED C=CC[C@H](C)[C@H](C)NC[C@@](C)(CC)OC 449470162 ADQAEGAAWKRRJG-RWMBFGLXSA-N 213.365 2.992 30 20 BFED CC[C@@H]1C[C@H]1CNc1nc2ccccn2c1C#N 450725009 PKFALBUXZGPGGV-MNOVXSKESA-N 240.310 2.664 30 20 BFED C=C(C)CCNC(=O)CC1=CCCCC1 452727715 ZRWGMCISMBVIND-UHFFFAOYSA-N 207.317 2.959 30 20 BFED C=CC(C)(C)CNC(=O)[C@H](C)OCCC(C)C 452777534 OELONOGSZNXHHQ-LBPRGKRZSA-N 241.375 2.766 30 20 BFED C=CC[C@H](CC)NC(=O)N[C@H](CC)C(F)F 454901824 CIEKUGIBYPMGFU-DTWKUNHWSA-N 234.290 2.684 30 20 BFED C=CC[C@@H](C)NC(=O)C1=CC[C@@H](C)CC1 455693039 ZKJKHCPVFDDUFX-GHMZBOCLSA-N 207.317 2.814 30 20 BFED C=CCC1(CNC(=O)c2cnc(C)[nH]2)CCCC1 456490314 WSDWDECXCUSADC-UHFFFAOYSA-N 247.342 2.584 30 20 BFED C=CCC(C)(C)C(=O)NCCC[C@H]1CCOC1 456772733 PBZNNKBKOJYGEN-LBPRGKRZSA-N 239.359 2.522 30 20 BFED C=C[C@@H]1CCCCN1C(=O)NCC(C)(C)C=C 458989750 QFMBETJECFQUSI-GFCCVEGCSA-N 236.359 2.949 30 20 BFED CCN(CC(C)C)C(=O)NCC(C)(C)CC#N 459263325 XGGWYBDCTKWAIW-UHFFFAOYSA-N 239.363 2.614 30 20 BFED C=CCn1cccc1C(=O)N(CC)CCC1CC1 488921942 UYJLRUCUYMBKSK-UHFFFAOYSA-N 246.354 2.936 30 20 BFED C#C[C@H](NC(=O)CC)c1ccc(Cl)cc1F 491219414 FDXNSCIBLZNUHX-NSHDSACASA-N 239.677 2.680 30 20 BFED C#C[C@H](C)N(C)Cc1cc(F)ccc1C 491288295 QODNRPWQYZTLAQ-NSHDSACASA-N 205.276 2.588 30 20 BFED C#C[C@H](C)N(C)C(=O)C12CC3CC(CC(C3)C1)C2 491503150 BEIAVIMVHLPOEB-IKMFHRHGSA-N 245.366 2.683 30 20 BFED C#C[C@@H](C)N(C)C(=O)N[C@H]1CCCCC1(C)C 491724746 CGGHJLVZRCBSEE-NEPJUHHUSA-N 236.359 2.618 30 20 BFED N#Cc1nc(N2C3CCC2CC3)ccc1Cl 531386668 FLECYJHXRRWTOW-UHFFFAOYSA-N 233.702 2.738 30 20 BFED N#Cc1ccc(CNC2(CF)CCC2)cc1 566217854 ZPPGHLLRUZKYEF-UHFFFAOYSA-N 218.275 2.540 30 20 BFED C=CC[C@@H](CC)NC(=O)N(C)[C@@H](C)C1CC1 574570183 XKLHPIKYERGHAU-CMPLNLGQSA-N 224.348 2.781 30 20 BFED N#CCC[C@H](C#N)CNC[C@@H]1C[C@H]2C=C[C@H]1CC2 575241834 VBTSHNBZHPZEMR-XGUBFFRZSA-N 243.354 2.622 30 20 BFED C=CCCC(=O)N(CC)CCC(F)(F)F 588037017 NZJCRCUILXOGSA-UHFFFAOYSA-N 223.238 2.754 30 20 BFED CC[C@](C)(C#N)C(=O)N1CC[C@@H](C2CCC2)C1 591125466 FAQUUULQMFQHJH-TZMCWYRMSA-N 234.343 2.575 30 20 BFED CCC(C)(C)N(C)C(=O)NCC1(C#N)CCC1 591334266 QVIYJSFFXTZMFW-UHFFFAOYSA-N 237.347 2.510 30 20 BFED C[C@H](C#N)CN(C)CCCN(C)c1ccccc1 592066817 SFFDMSONXRIROW-CQSZACIVSA-N 245.370 2.604 30 20 BFED N#C[C@H](c1ccccc1)N1C[C@H]2CCC[C@H]2C1 595339360 NNCDXQHMLPMQHR-QLFBSQMISA-N 226.323 2.983 30 20 BFED N#Cc1cc(CN2CC[C@@H]3C[C@H]3C2)ccc1F 595809957 VAGMDTHBBWTCNQ-YPMHNXCESA-N 230.286 2.539 30 20 BFED C=CCCNC(=O)N(C)[C@@H](C)CCSCC 596718079 IUVINHHHNMXIMJ-NSHDSACASA-N 244.404 2.736 30 20 BFED C=C(C)c1cc(COC)cc(C(=O)OC)c1 600846176 WFMDAVYUARGDBD-UHFFFAOYSA-N 220.268 2.653 30 20 BFED N#Cc1cc(F)cc(NC(=O)[C@@H]2[C@H]3CCC[C@H]32)c1 601713558 FNNPCVLXGPMZRH-ITGUQSILSA-N 244.269 2.682 30 20 BFED Cc1cc(CN2CC(C)(C)C2)ccc1C#N 602752673 YKBXKAVPCJHWMV-UHFFFAOYSA-N 214.312 2.709 30 20 BFED C=CCCNC(=O)CO[C@H]1CCCC[C@@H]1CC 617617284 ABRGGQXYRRGOOB-STQMWFEESA-N 239.359 2.664 30 20 BFED CC(C)CC(=O)N[C@H]1CCc2cc(C#N)ccc21 618738279 FYENMHIUZDIHGR-AWEZNQCLSA-N 242.322 2.708 30 20 BFED C=CCCCNC(=O)Nc1cccc2c1OCC2 626686272 CYRVUEXDYPUTQV-UHFFFAOYSA-N 246.310 2.709 30 20 BFED C=CCCC(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1 628391445 ZJAFPWZEQNOETH-UWVGGRQHSA-N 231.286 2.702 30 20 BFED C=CC[C@@H]1CCCN(C[C@@H]2CCO[C@H]2C)C1 639798576 IANZWKGOFBTNDD-MJBXVCDLSA-N 223.360 2.700 30 20 BFED C=CC[C@@H]1CCCN(C(=O)N(CC)CC)C1 657092581 BOQXYWAWBZAECZ-GFCCVEGCSA-N 224.348 2.736 30 20 BFED C=CCCC(C)(C)NCc1cccn1C 657804900 GUBVDBVSIMNAPC-UHFFFAOYSA-N 206.333 2.860 30 20 BFED C=CCCNC(=O)Nc1cccc(C)c1F 666565322 LPEOCEVCURXBAJ-UHFFFAOYSA-N 222.263 2.832 30 20 BFED C=CCCC[C@@H](C)NC(=O)CCn1cccc1 678895582 RTWIFBPWJNAQFH-CYBMUJFWSA-N 234.343 2.739 30 20 BFED C=CCN(c1nc(-c2ccccc2)no1)C1CC1 683754010 YFNZSFIZYUMWMY-UHFFFAOYSA-N 241.294 2.891 30 20 BFED C#CCCCCCS[C@H](C)CC(=O)O 686686500 YGHGKACDUVCPBZ-SNVBAGLBSA-N 214.330 2.776 30 20 BFED 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223.360 2.892 30 20 BFED N#Cc1cccc(CNc2cncc(F)c2)c1 305904906 BGEGMYWGMHGTKK-UHFFFAOYSA-N 227.242 2.704 30 20 BFED C=C(Br)CN[C@H]1CC[C@H]1CC 307706456 XIHBQKXQSRILII-BDAKNGLRSA-N 218.138 2.673 30 20 BFED Cc1csc(C=NOC/C=C\Cl)n1 308370814 KSJAEQGSNFNIJM-HQMRQTJKSA-N 216.693 2.555 30 20 BFED CC(C)C(N[C@H]1CC[C@@H](C#N)C1)C(C)C 309001962 OIOOYEKPKLBOQC-NEPJUHHUSA-N 208.349 2.949 30 20 BFED C=CC[C@H](C)N[C@H]1CCC[C@@H]1COCC 309028272 CBIKYKSFOMCMIG-XQQFMLRXSA-N 211.349 2.746 30 20 BFED C[C@H]1CC[C@H](C)N(CC2(C#N)CCC2)C1 334646108 GNRDMRPMEFYOTO-RYUDHWBXSA-N 206.333 2.801 30 20 BFED C[C@@H]1CCC(=O)[C@H](Oc2cccc(C#N)c2)C1 334651227 FSWHKSQGIGQECL-QMTHXVAHSA-N 229.279 2.695 30 20 BFED C[C@@H]1CC=C(C(=O)N2CCC(CC#N)CC2)CC1 334727909 PMVYGJSGCBNEDJ-GFCCVEGCSA-N 246.354 2.885 30 20 BFED Cc1cc(CN[C@H]2CC[C@@H](F)C2)ccc1C#N 335123628 YVPBPNFCXRUWDO-KGLIPLIRSA-N 232.302 2.847 30 20 BFED C=CCNC(=O)N1CCC[C@H](c2ccccc2)C1 335817708 QIRJJWCWXBOFFW-AWEZNQCLSA-N 244.338 2.762 30 20 BFED 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30 20 BFED C=C[C@H](CO)N[C@@H]1CCC(C)(C)c2ccccc21 289593675 CDMBMBIDDSDBJB-IUODEOHRSA-N 245.366 2.936 30 20 BFED CCN(CCOCCC#N)c1ccccc1F 292724902 FZWBASAPTQXXPM-UHFFFAOYSA-N 236.290 2.582 30 20 BFED Cc1cc(CN(C)C[C@H](C)C#N)ccc1N(C)C 292969964 DLCLQXHOFOVXGO-GFCCVEGCSA-N 245.370 2.653 30 20 BFED C=CCC(C)(C)CNC(=O)c1ccnc(C)c1 293772083 MVAYZJXGZMVGNW-UHFFFAOYSA-N 232.327 2.722 30 20 BFED C=CCCc1noc([C@@H]2CC2(Cl)Cl)n1 297414660 UGCQPKTYPREEHL-LURJTMIESA-N 233.098 2.849 30 20 BFED C=C(Br)CN1CCC[C@@H](CC#N)C1 306835557 RMZLTABABVCPQM-JTQLQIEISA-N 243.148 2.521 30 20 BFED C=CCNc1ccc(Cl)c(C(=O)OC)c1 308931463 JQEFUXXIGNGPNP-UHFFFAOYSA-N 225.675 2.725 30 20 BFED C=C(C)CNC(=O)c1coc(C2CCCC2)n1 332441878 XEBHXWQTWKFFRH-UHFFFAOYSA-N 234.299 2.638 30 20 BFED C=C[C@H](C)NC(=O)[C@H]1CC2CCC1CC2 334436362 GRQJIRZWJRTCQH-XKGSQUFQSA-N 207.317 2.503 30 20 BFED C[C@H]1C[C@@H](C)N(Cc2ccc(C#N)s2)C1 334476210 NECOTRPFGFSGKD-VHSXEESVSA-N 220.341 2.850 30 20 BFED CN(C(=O)[C@H]1C[C@@H]1C1CC1)c1ccc(C#N)cc1 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30 20 BFED CC(C)(C)CC(=O)NCCc1cccc(C#N)c1 342432792 SRGMLBLSHFQKHM-UHFFFAOYSA-N 244.338 2.653 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CC[C@@H]1C1CC1 348328380 POAWRZOMVWKCGD-TUVASFSCSA-N 235.371 2.746 30 20 BFED C=CCC[C@H](O)CN1CC[C@@H]1c1ccccc1 351474352 YYPRLZCDTSAPAW-LSDHHAIUSA-N 231.339 2.761 30 20 BFED C=C(C)CCN1CCOc2ccc(OC)cc21 352016123 VFBPUZYOMRDOOX-UHFFFAOYSA-N 233.311 2.860 30 20 BFED Cc1ncc(CN(CCC#N)CC(C)(C)C)cn1 352030523 WNJCUTXXLWWSRN-UHFFFAOYSA-N 246.358 2.547 30 20 BFED CC(C)CC[C@H]1CCCCN1C(=O)[C@H](C)C#N 352238710 VWRPNXQEHIJEFO-CHWSQXEVSA-N 236.359 2.963 30 20 BFED C[C@@H](Cc1ccc(O)cc1)NCC1(CC#N)CC1 353288612 RRABGEGRBIISNP-LBPRGKRZSA-N 244.338 2.607 30 20 BFED C=C(CC)CN1CCc2c1cccc2[N+](=O)[O-] 353543670 BNDRCSISHWIMHJ-UHFFFAOYSA-N 232.283 2.924 30 20 BFED C=C(C)COCCNC(=O)CC[C@H](C)CC 354060063 ZXMMOOOPPNARJR-GFCCVEGCSA-N 227.348 2.522 30 20 BFED CC[C@@H](CC(F)(F)F)N=c1ccc(C#N)c[nH]1 354593914 CPBKGLILCYQHMT-VIFPVBQESA-N 243.232 2.518 30 20 BFED 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240.391 2.559 30 20 BFED CC[C@@H]1CCC[C@@H]1CNC(=O)CCCC#N 452529677 OZOKXHQRWUQJAA-VXGBXAGGSA-N 222.332 2.623 30 20 BFED C=C(C)CCNC(=O)C[C@H]1C=CCCC1 452718302 PLZBVSKSNKBFII-LBPRGKRZSA-N 207.317 2.815 30 20 BFED C=CCOCCCC(=O)N[C@@H]1C[C@H]1CC(C)C 457984742 CMOPIIMHARJARF-CHWSQXEVSA-N 239.359 2.520 30 20 BFED CC#CCN(C)C(=O)N[C@@H]1CCC[C@@H](CC)C1 458437482 FRDVFPPCDMTSDV-CHWSQXEVSA-N 236.359 2.620 30 20 BFED C=CCn1cccc1C(=O)NCC1(C2CC2)CC1 488783231 MUSPLYYDGLKPJL-UHFFFAOYSA-N 244.338 2.594 30 20 BFED C#C[C@H](CC)NC(=O)CCCC(C)(C)C 491315145 LALJDCFADIULJS-LLVKDONJSA-N 209.333 2.731 30 20 BFED C#C[C@@H](CC)NCc1nc2ccc(F)cc2s1 491495344 IONYUBITZQNWFA-JTQLQIEISA-N 248.326 2.937 30 20 BFED C#C[C@@H](C)N(C)C(=O)[C@H](C)c1cccc(Cl)c1 491751333 XVPXXDMBZFEQGQ-GHMZBOCLSA-N 249.741 2.924 30 20 BFED C#C[C@@H](C)N(C)c1nnc(C(C)C)n1CC(C)C 491753514 ZKACVECBDFJINV-GFCCVEGCSA-N 248.374 2.515 30 20 BFED C=CCN(CC=C)C(=O)/C=C\c1ccc(O)cc1 492406170 GEPZTVUYPOISMF-YFHOEESVSA-N 243.306 2.606 30 20 BFED C=CCn1c(CC)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C 519118861 LWZKAPXXGAIYJD-QJPTWQEYSA-N 248.374 2.507 30 20 BFED C[C@H](CC(=O)NC(C)(C)C#N)c1ccccc1F 540972862 SQCSEMOALGBQCG-SNVBAGLBSA-N 248.301 2.738 30 20 BFED CC#CCN(C)CCOC1CCCCCC1 559466293 FKRMIMAESASMRG-UHFFFAOYSA-N 223.360 2.681 30 20 BFED C=CCN(CC=C)C(=O)N[C@H]1CCC[C@@H](F)C1 566911814 NRIPAMPVEKENHX-NEPJUHHUSA-N 240.322 2.651 30 20 BFED C=C(C)C(C)(C)C(=O)NCCc1ccc(C)nc1 568079126 CZNGFCRBIFEEKE-UHFFFAOYSA-N 246.354 2.651 30 20 BFED Cc1cc(C)c(C(=O)NCC2(C#N)CC2)c(C)c1 571980427 URVMSAINXKHAJJ-UHFFFAOYSA-N 242.322 2.645 30 20 BFED C=CCCC[C@@H](C)N1CC[C@](C)(C(=O)O)C1 579246474 FYXBHNIZUWCEKK-YPMHNXCESA-N 225.332 2.528 30 20 BFED CC[C@@H](NCC(C)(C)CC#N)C1CCOCC1 583859177 VIYLTTKPEPODEF-CYBMUJFWSA-N 238.375 2.721 30 20 BFED C[C@@H]1CCCN(c2nc(C#N)c(Cl)s2)C1 590568303 CVDCLVRRNNMZEB-SSDOTTSWSA-N 241.747 2.904 30 20 BFED C=CCCSCCNC[C@H](C)CC 594959724 AZHZULKNMYNQME-LLVKDONJSA-N 201.379 2.931 30 20 BFED CC(C)(CCC#N)CNC(=O)C1CC2(CC2)C1 597660698 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C=CCCOC(=O)c1c(C)cccc1[N+](=O)[O-] 740191094 IVLMGKOYCJJERC-UHFFFAOYSA-N 235.239 2.636 30 20 BFED CCC(=NNC(=S)NCCC(C)C)C1CC1 741162343 XVBMUCTUFMUGOV-UHFFFAOYSA-N 241.404 2.673 30 20 BFED CCC1(C(=O)OCc2cccc(C#N)c2)CC1 750481891 PSNBXNWBCMBEDJ-UHFFFAOYSA-N 229.279 2.792 30 20 BFED C#CCCCNC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 754212321 UOFPBUNFCJRXMX-JHJVBQTASA-N 236.359 2.524 30 20 BFED C#CCN1CC[C@H](C)C2(CCCCC2)C1 765085528 BQBGDVHZPVMOOI-ZDUSSCGKSA-N 205.345 2.912 30 20 BFED C(C[C@H]1CCOC1)=NNc1ccccc1 765544907 YPENQOBUKUFTFE-NSHDSACASA-N 204.273 2.511 30 20 BFED CC(C)(C)[C@H](C#N)NC(=O)[C@@H](F)c1ccccc1 769468517 CACYEHDXOHWQMG-RYUDHWBXSA-N 248.301 2.752 30 20 BFED CC1(C)CCCC[C@H]1NN=C1CCN2CCC[C@H]12 773124761 KYWMDHDGQDELJM-ZIAGYGMSSA-N 249.402 2.769 30 20 BFED CC1=CCC[C@H](C)[C@@H]1C=NN1CCCC1=O 773206158 DSWVZROJPJZRBM-NWDGAFQWSA-N 220.316 2.587 30 20 BFED N#CC1(COC(=O)C2CCCCCC2)CC1 775854809 GRPCEIIXPNZBFT-UHFFFAOYSA-N 221.300 2.804 30 20 BFED C[C@H](C(=O)OCC1(C#N)CC1)c1ccccc1F 775855908 DIHWGYSRLXNQAT-JTQLQIEISA-N 247.269 2.776 30 20 BFED CCC1(C(=O)OCc2ccc(CC#N)cc2)CC1 776115143 XCWDMRYVZKKBNR-UHFFFAOYSA-N 243.306 2.986 30 20 BFED C=CCCC(=O)COC(=O)[C@H]1CC[C@H](C)C1 776413629 DRBFURUIXJBRGK-QWRGUYRKSA-N 224.300 2.501 30 20 BFED CC/C(C)=C(\C)C(=O)Nc1cc(CC#N)ccn1 779985413 WLIRXDLGSJBEAW-ZHACJKMWSA-N 243.310 2.833 30 20 BFED CC(C)(C#N)CC(=O)OC[C@H]1C[C@H]2CC[C@H]1C2 781912122 WFXXUZNZHDKDIW-SDDRHHMPSA-N 235.327 2.906 30 20 BFED CCC/C(C)=C\C(=O)N1CCC(CC#N)CC1 782057147 YQIZXTVEEDACTM-QXMHVHEDSA-N 234.343 2.885 30 20 BFED CC1(C)CCC[C@H]1NN=Cc1ccc(F)nc1 782289196 UQHMGEMSKXYIJB-LLVKDONJSA-N 235.306 2.723 30 20 BFED CCN1CCC(=NNCCC(C)(C)C)[C@@H](C)C1 782903036 NFCAVNHOBYZTJO-LBPRGKRZSA-N 239.407 2.730 30 20 BFED C=C[C@@H]1CCCCN1C[C@@H]1CCC=CO1 787309409 IMKGEYYYZNEWLL-OLZOCXBDSA-N 207.317 2.720 30 20 BFED C=C(C)CNc1ccc2ccn(C)c(=O)c2c1 789682168 OAHYJASZUCNRPS-UHFFFAOYSA-N 228.295 2.527 30 20 BFED C[C@@]1(C=NNc2ccnc(F)c2)CCCS1 793039225 LCFNTMNERFJQSJ-NSHDSACASA-N 239.319 2.904 30 20 BFED Fc1cncnc1NN=CCCc1ccccc1 793214459 KLVQTKWYERKUEC-UHFFFAOYSA-N 244.273 2.646 30 20 BFED CSCCON=C1CCc2c(F)cccc21 794573856 NKHCFROSSVHQFA-UHFFFAOYSA-N 239.315 2.856 30 20 BFED CSCCON=C1CCO[C@@H](C(C)C)C1 794577626 XVQPXAPJXCUMBO-LLVKDONJSA-N 231.361 2.557 30 20 BFED C=CCNN=C(C)c1ccc(OC(C)C)cc1 794999044 UYWGAKKDECAEPP-UHFFFAOYSA-N 232.327 2.973 30 20 BFED Cc1oc(C#N)cc1C(=O)Oc1ccccc1F 797800811 ORYYVCNXXLQXNP-UHFFFAOYSA-N 245.209 2.818 30 20 BFED C=CCOC(=O)[C@@H](c1cccnc1)C(C)C 797899870 QSUHKXCDAWHPLQ-GFCCVEGCSA-N 219.284 2.550 30 20 BFED CC(C)(C#N)CCN1CC[C@@H](c2ccccn2)C1 799194087 DGKQCKJFQIWDGK-CYBMUJFWSA-N 243.354 2.811 30 20 BFED C#C[C@H](NC(=O)N[C@H](C)CC(C)C)C(C)(C)C 808285968 ITMNKSVLAFYPIX-NEPJUHHUSA-N 238.375 2.768 30 20 BFED C#Cc1ccc(CN2CCC(C)(C)C2)cc1 809574908 SXNCWTBEXRENJZ-UHFFFAOYSA-N 213.324 2.900 30 20 BFED C=CCCCC(=O)OCCc1cncs1 811121302 NGYQFYREWGXMOA-UHFFFAOYSA-N 225.313 2.585 30 20 BFED CC(C)n1cnc(C(=O)OCCC(C)(C)C#N)c1 811214180 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C=CCCCCCOC(=O)[C@@H]1CCC(=O)C1 830892221 QBOLCQAKXOHDAW-LLVKDONJSA-N 224.300 2.645 30 20 BFED C#C[C@@H](CC)NC(=O)O[C@@H](C)CC(C)C 831299542 PKYXWVKGKYJIBL-QWRGUYRKSA-N 211.305 2.559 30 20 BFED CC(C(=O)NCC1CCC(C#N)CC1)=C1CCC1 831773442 NSRWSMNQPZLAIV-UHFFFAOYSA-N 246.354 2.933 30 20 BFED CCCCC(COC)=NN[C@H](C)C(F)(F)F 835002395 RYBCWQZPWZTVIB-MRVPVSSYSA-N 240.269 2.719 30 20 BFED CCOC(=O)C(C)(C)ON=Cc1ccccc1C 835004599 YIWMTUOURRPDHR-UHFFFAOYSA-N 249.310 2.687 30 20 BFED C=CCCC[C@H](C)OC(=O)/C=C/[C@@H]1CCOC1 835268650 IGRFXHAODCKHOY-AHYBDNRGSA-N 238.327 2.867 30 20 BFED C=CCCCCOC(=O)c1cc(O)cs1 837515520 UZYFFXLVQQUSSK-UHFFFAOYSA-N 226.297 2.967 30 20 BFED C[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)C(C)(F)F 839065093 ZAJMCYRPLXHNAY-BBBLOLIVSA-N 245.269 2.903 30 20 BFED C[C@@H](C#N)N(C)C(=O)[C@@H](F)CC1CCCCC1 839365167 AWPYHYXDBCWDQN-JQWIXIFHSA-N 240.322 2.665 30 20 BFED N#CCOc1cccc(OCC2(C#N)CCC2)c1 842110436 NDRQMZUURMNUCZ-UHFFFAOYSA-N 242.278 2.662 30 20 BFED CC(C)CC[C@@H]1CCCC1=NN(C)[C@H](C)CO 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2.829 30 20 BFED CCCn1nccc1C=NOCCC(F)(F)F 853336391 XPJPCUAICVNADN-UHFFFAOYSA-N 249.236 2.596 30 20 BFED C=CCCC(C)(C)NC(=O)NCc1cccn1C 853810275 ZNDBWAYIEUIWTC-UHFFFAOYSA-N 249.358 2.569 30 20 BFED Cc1ccccc1CN(C)C(=O)C#CC(C)C 854225133 WKYRQUQMVCBUHR-UHFFFAOYSA-N 229.323 2.613 30 20 BFED CC(C)C#CC(=O)Nc1ccccc1OCCF 854690126 QIHYYNNTTJZWIO-UHFFFAOYSA-N 249.285 2.633 30 20 BFED C=CCCSCCNC(=O)/C(C)=C\CC 855384277 CRDOALHOFBFWFQ-XFFZJAGNSA-N 227.373 2.768 30 20 BFED CC[C@@H]1CCC[C@H](C)N1C(=O)C#CC(C)C 856274023 XDKAEYHURYXCLW-QWHCGFSZSA-N 221.344 2.825 30 20 BFED C#CCCCC(=O)Nc1nc(C)ccc1CC 857307214 QPJHZAFZUYZINM-UHFFFAOYSA-N 230.311 2.694 30 20 BFED CCC(C#N)(CC)C(=O)O[C@H]1C=CCC1 860641977 AZIVSGQEMQXCQO-JTQLQIEISA-N 207.273 2.578 30 20 BFED C#CC[C@H](CCOC)N[C@H](C)CCCC 862547772 OQWJLRNFUUPJNG-CHWSQXEVSA-N 211.349 2.583 30 20 BFED CC(=O)c1cc(F)ccc1NCC1(C#N)CC1 865751846 BOGMDFMQRPORHU-UHFFFAOYSA-N 232.258 2.744 30 20 BFED C(=NOCC1CC1)c1cc2c([nH]1)CCCC2 872378427 IRKSEKXPGDCGAY-UHFFFAOYSA-N 218.300 2.654 30 20 BFED CC(C)(C#N)CCOC(=O)c1cnc(C2CC2)o1 885326247 PXOTVUNTIYAQBD-UHFFFAOYSA-N 248.282 2.649 30 20 BFED C=CC1(OC(=O)CCc2cncc(C)c2)CC1 893359170 SWWDWMPIQGGOSM-UHFFFAOYSA-N 231.295 2.584 30 20 BFED C=CC1(OC(=O)c2cnc(CC)s2)CC1 893366874 WONZGSYCBBLKOJ-UHFFFAOYSA-N 223.297 2.581 30 20 BFED C=C[C@@H]1CCCCN1c1cc(C)cc(C#N)n1 893550090 ACGCCCJVEMIICJ-CYBMUJFWSA-N 227.311 2.807 30 20 BFED C#C[C@H](NCc1cnn(C2CCC2)c1)C(C)(C)C 894517690 OGCNEYICTXAVLS-AWEZNQCLSA-N 245.370 2.746 30 20 BFED C=CCONC(=O)NC1(C2CCCCC2)CC1 895245838 IFTRNSGFMAFAKI-UHFFFAOYSA-N 238.331 2.516 30 20 BFED CC#CCOC(=O)c1cnc(CC(C)C)s1 910030510 HJAZVLUOHQLIBB-UHFFFAOYSA-N 237.324 2.522 30 20 BFED C=CCCC[C@@H](N)C(=O)N[C@H](C)CCC(C)C 911946070 BMJPUPSMRSUBJF-CHWSQXEVSA-N 240.391 2.611 30 20 BFED CCOc1ccccc1C(=O)OCCCCC#N 914616562 PLQNPKQANLZGAB-UHFFFAOYSA-N 247.294 2.936 30 20 BFED C=CCN(C(=O)/C=C/c1cccnc1)C(C)C 915153508 OGNYJNUUSCNNCX-BQYQJAHWSA-N 230.311 2.518 30 20 BFED C=CCNC(=S)N1Cc2ccccc2[C@@H](C)C1 916119873 SVRUSBNDFVKHPK-NSHDSACASA-N 246.379 2.666 30 20 BFED C[C@H]1CCC[C@@H]1NC(=O)CC#Cc1ccccc1 1116269625 WQEAEYUSHIVYGA-ZFWWWQNUSA-N 241.334 2.733 30 20 BFED C=CCC(C)(C)c1nnc(Cc2ccncc2)o1 1118375027 AHHPQKLYKPQUNZ-UHFFFAOYSA-N 243.310 2.909 30 20 BFED C=CC(C)(C)C(=O)Nc1cc(C(F)(F)F)no1 1119438597 IUHURDXXTBFTRL-UHFFFAOYSA-N 248.204 2.844 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)c1ccc(OC)o1 1120733247 JKOVFXXEHGDAKA-LLVKDONJSA-N 249.310 2.859 30 20 BFED C=C(CC)C(=O)Nc1ccc(C(=O)OCC)cc1 1123572801 DDGJETXHFXTZPX-UHFFFAOYSA-N 247.294 2.768 30 20 BFED C=C(CC)C(=O)NCc1c(F)cc(F)cc1F 1124021069 UVCJNHGONQDXJF-UHFFFAOYSA-N 243.228 2.686 30 20 BFED CCC[C@@H](C)NC(=O)[C@H](CC#N)c1ccccc1 1125204763 MHMQDMJOKFOHFH-TZMCWYRMSA-N 244.338 2.989 30 20 BFED C#CCN(CC1CC1)CC1(SC)CCC1 1324622189 FLWAIMYSFYKHMM-UHFFFAOYSA-N 223.385 2.617 30 20 BFED C=C[C@H](COC)N[C@@H]1C[C@H](C)CC[C@@H]1C 1325316412 SAVLOPPEKULCHL-YVECIDJPSA-N 211.349 2.602 30 20 BFED C#Cc1cccc(N(CC)CC[C@@H]2CCOC2)c1 1326502617 OAXWFNGYKMKQSV-OAHLLOKOSA-N 243.350 2.921 30 20 BFED CC/C(C)=C(\C)C(=O)N[C@@H](C#N)C1CCCC1 1331978648 GVEQYODARJCQFD-NHAQELONSA-N 234.343 2.931 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)c1cc(CC)on1 1337681358 XHMHYZKNWUCAPC-LLVKDONJSA-N 248.326 2.808 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)c1cccc(F)c1 1340892544 LHEYHDRUMCJREW-LBPRGKRZSA-N 234.274 2.590 30 20 BFED C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 1343519760 ZAMOCCNZTAEMPE-RWMBFGLXSA-N 233.355 2.917 30 20 BFED C#C[C@H](OC(=O)[C@@H]1C[C@H]1F)c1ccc(C)cc1 1346931355 RLVARNYLPVGWHP-UPJWGTAASA-N 232.254 2.571 30 20 BFED C#C[C@H](CC)NCc1cccc2ccoc12 1347792038 NGKJNYXBUSVQHI-CYBMUJFWSA-N 213.280 2.934 30 20 BFED CC[C@@H](c1ccccc1)c1nnc(C=NOC)o1 1348930283 CGTGCASKEYTJJN-NSHDSACASA-N 245.282 2.592 30 20 BFED C=CCC(C)(C)COC(=O)c1ocnc1CC 1515255919 IWJFZZNWVHYNEZ-UHFFFAOYSA-N 237.299 2.996 30 20 BFED N#CCc1cccc(Nc2cccc(C#N)n2)c1 1559191954 FGUCBUWZLYYFFL-UHFFFAOYSA-N 234.262 2.763 30 20 BFED C=C(CC(C)C)C(=O)Oc1ccc(N)cc1 1574849489 NMZGQTURNNJNAS-UHFFFAOYSA-N 219.284 2.777 30 20 BFED C=CC[C@H](N[C@H](C)c1ccccc1C)C(=O)O 1588751277 KOMKNGHRSFITKG-YPMHNXCESA-N 233.311 2.675 30 20 BFED C=C1CC(CN2CC[C@]3(C(=O)O)CCCC[C@H]23)C1 1776144626 RYYVBEKSPCPKIW-DZGCQCFKSA-N 249.354 2.672 30 20 BFED C=CC[C@]1(C(=O)O)CCCN(C2CCCC2)C1 1776154505 FNWLEKGTUZRIAR-AWEZNQCLSA-N 237.343 2.672 30 20 BFED C=CCN(CC=C)C(=O)[C@@H]1CC=CC[C@H]1C 1661730 UJHQHUZGEJXILE-CHWSQXEVSA-N 219.328 2.789 30 20 BFED C=CCNC(=S)N[C@@H](CC)c1ccccc1 13931595 IPMWVCJKWHSQRF-LBPRGKRZSA-N 234.368 2.788 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)c1ccccc1C 42296108 DZQBVGZKFBPKBI-NSHDSACASA-N 230.311 2.617 30 20 BFED CCOc1ccccc1N[C@@H](C#N)CC 43539117 KAUFWQPKTAOWQF-SNVBAGLBSA-N 204.273 2.799 30 20 BFED CC#CCNc1cccc(Br)c1 51662981 XJEGKDYCLYWQFI-UHFFFAOYSA-N 224.101 2.884 30 20 BFED C=C(C)CN(CC)C(=O)Cc1ccccc1OC 57158106 XAWVYKSTGAIKIU-UHFFFAOYSA-N 247.338 2.662 30 20 BFED CCOC(=O)CCSCc1ccc(C#N)cc1 58239554 MOWPQJIRPZBPGM-UHFFFAOYSA-N 249.335 2.745 30 20 BFED N#CCCCOC(=O)c1cc2ccccc2o1 58837330 IIXDVYVFGFPXGX-UHFFFAOYSA-N 229.235 2.893 30 20 BFED C[C@@H](c1ccccc1F)N(C)C[C@@H](C)C#N 58864376 VLWJIWVPPGGPNP-QWRGUYRKSA-N 220.291 2.978 30 20 BFED COCCCN(C)c1cccc(Cl)c1C#N 62034201 CQTDGHPZNWINSO-UHFFFAOYSA-N 238.718 2.684 30 20 BFED C=CCNC(=O)N(C)C[C@@H](C)c1ccccc1 67035925 LFGLTPPOHGFDOM-GFCCVEGCSA-N 232.327 2.618 30 20 BFED C=CCCOc1ccc2c(c1)NC(=O)CC2 71973995 ODZKENBUSFXYIU-UHFFFAOYSA-N 217.268 2.526 30 20 BFED in-vitro N#Cc1c(F)cccc1NC[C@H]1CCC[C@@H](O)C1 78305061 BOGDTTMEQKVFAR-WDEREUQCSA-N 248.301 2.660 30 20 BFED C=C(C)CN[C@H](c1ccccc1)[C@H](C)C(=O)OC 79937595 LJMIKEQRTSECNA-JSGCOSHPSA-N 247.338 2.703 30 20 BFED COc1ccc(Nc2cccc(C#N)n2)cc1 81615704 OBEKLEBAACEMAE-UHFFFAOYSA-N 225.251 2.705 30 20 BFED N#Cc1ccc(NC(=O)[C@H]2CCCSC2)cc1 82338716 QNPUWYSIHHKWGZ-NSHDSACASA-N 246.335 2.640 30 20 BFED C[C@@H](CSCc1ccc(C#N)cc1)C(=O)O 83051025 ZHWKAFKWWZZYSP-VIFPVBQESA-N 235.308 2.512 30 20 BFED C[C@H](C#N)CNc1cc(Cl)ccc1C#N 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30 20 BFED C#C[C@@H](C)NCc1cc(F)cc(Cl)c1 168279483 LYNRCFZAUVQJCH-MRVPVSSYSA-N 211.667 2.590 30 20 BFED C=CCN1CCC(Nc2ccc(F)cc2)CC1 170650938 GHKVSAFSVKIFQM-UHFFFAOYSA-N 234.318 2.888 30 20 BFED C=CCNC1(c2ccc(F)cc2)CCOCC1 170971936 RGBNHWGFQQPUDH-UHFFFAOYSA-N 235.302 2.607 30 20 BFED CS[C@@H](C(=O)N[C@H](C)CC#N)c1ccccc1 172530890 QJDQKXQKZWDLPU-ZYHUDNBSSA-N 248.351 2.509 30 20 BFED CCOc1ccc(C#N)cc1NCCCCCO 179262060 DAYFEHSDZFMGLO-UHFFFAOYSA-N 248.326 2.531 30 20 BFED C=CCN(CCc1ccccc1)C[C@H](C)OC 182092762 VLKKYNVGZIIFPR-AWEZNQCLSA-N 233.355 2.752 30 20 BFED CC#CCCCC(=O)N1CC[C@@H](C)[C@@H]1CC 185458753 YJLVXDSUGXLFNH-OLZOCXBDSA-N 221.344 2.827 30 20 BFED C=CC[C@H](C(=O)NC(C)C)c1ccccc1 189352578 HZAARTLTWBZIRU-ZDUSSCGKSA-N 217.312 2.871 30 20 BFED C=CCSCCNC(=O)c1sccc1C 194502601 DAPYIXQLBLWXIO-UHFFFAOYSA-N 241.381 2.706 30 20 BFED Cc1c(C(=O)/C=C\c2cccs2)cnn1C 210479385 XSSLMGQNWWYDDB-WAYWQWQTSA-N 232.308 2.686 30 20 BFED C=C(CN[C@H]1CCO[C@@H](C)C1)c1ccccc1 223053498 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20 BFED C=C(CC)CN[C@H](C(=O)OCC)C(C)(C)C 309682553 ZVVHSFFTUKROKV-LLVKDONJSA-N 227.348 2.520 30 20 BFED C=CC[C@@H](CC)N[C@@H](CCCC)C(=O)OC 309999707 DKOWRNODHRAYIN-NEPJUHHUSA-N 227.348 2.663 30 20 BFED C=CCCCCNc1ccc2nccnc2n1 310208047 UHWBJRNATRDBIW-UHFFFAOYSA-N 228.299 2.793 30 20 BFED CC(C)(CCNC(=O)C1(C#N)CCC1)C1CC1 328452535 PWSVBGXLQFEDAN-UHFFFAOYSA-N 234.343 2.623 30 20 BFED CC[C@@H](C)/N=C(/O)c1ccnc(OC(C)C)c1 330975176 NXTXFJGWVJPIDY-SNVBAGLBSA-N 236.315 2.972 30 20 BFED Cc1ccc([C@H](C)N(C)/C(O)=N/CCC#N)cc1 331159626 QTCSXBBCOILBMD-LBPRGKRZSA-N 245.326 2.816 30 20 BFED C[C@@H]1CC[C@H](N(C)Cc2nc(C#N)cs2)C1 334156755 ZLMNICSEDJONDI-KOLCDFICSA-N 235.356 2.635 30 20 BFED CC1(C)CN(C(=O)CCCC#N)[C@H]2CCC[C@@H]21 334265950 NBRRAOVTDHTIBV-RYUDHWBXSA-N 234.343 2.717 30 20 BFED N#CCCCN1CCC[C@]2(CCSC2)C1 334626344 IBJPODRFMKZFTB-LBPRGKRZSA-N 224.373 2.509 30 20 BFED CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)C1(C#N)CCC1 334745010 UUXYEQBPOOXPIQ-STQMWFEESA-N 248.370 2.819 30 20 BFED 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2.953 30 20 BFED CCCc1nc(C)c(CN[C@H](CC)CC#N)o1 571697264 FUSWQSFNYXQJAV-LLVKDONJSA-N 235.331 2.717 30 20 BFED N#Cc1cncnc1N1CC2(CC2)c2ccccc21 574633924 LWOACGXUYYUTNB-UHFFFAOYSA-N 248.289 2.532 30 20 BFED CC#CCN(C)C(=O)CCC1CCCCC1 580913446 DFZFECOSYNXGNE-UHFFFAOYSA-N 221.344 2.829 30 20 BFED C=CCN(CCC#N)C(=O)[C@H](C)C1CCCC1 590038522 OMHNATOCFVTYAD-GFCCVEGCSA-N 234.343 2.741 30 20 BFED CC[C@H](CC#N)NCCO[C@@H]1CCCC[C@@H]1C 594009391 ITTYTQCSDFACAA-BFHYXJOUSA-N 238.375 2.864 30 20 BFED N#Cc1csc(CN[C@]23CCC[C@H]2C3)c1 594950057 HHUOPXTYGKVDKY-JQWIXIFHSA-N 218.325 2.652 30 20 BFED C=CC[C@H]1CCCN(C[C@@H](C#N)CCC#N)C1 595661301 YDPKAWIOEXVQBA-UONOGXRCSA-N 231.343 2.718 30 20 BFED N#C[C@H](Sc1cccc([N+](=O)[O-])c1)C1CC1 601082884 TZZWGGGMGNFKSZ-NSHDSACASA-N 234.280 2.989 30 20 BFED CCSCCCNC[C@@H](C)CCC#N 602653299 OOOXVJRGFVCEJB-NSHDSACASA-N 214.378 2.659 30 20 BFED COCc1cc(C#N)ccc1N(C)CCC1CC1 603315229 FGHGLDOJHXXTBX-UHFFFAOYSA-N 244.338 2.941 30 20 BFED CC(C)=C[C@@H]1[C@H](C(=O)N(C)[C@@H](C)CC#N)C1(C)C 609143263 NHQALEXOWZQKCC-YNEHKIRRSA-N 248.370 2.985 30 20 BFED COCC#CCSCc1ccccc1OC 611193150 RAILFZPLYOIBLP-UHFFFAOYSA-N 236.336 2.578 30 20 BFED CCCCCNC(=O)N1CCC(CC#N)CC1 611613804 NDSRQHNPBLDKOD-UHFFFAOYSA-N 237.347 2.512 30 20 BFED C=CC[C@@H](CC)NC(=O)Cc1ccc(CC)cn1 614396238 JGAVIQFEJMFVLL-CYBMUJFWSA-N 246.354 2.657 30 20 BFED C=CCCNC(=O)C[C@@H]1CCCC[C@H]1C 617614744 MFAMNDBCTQTMED-NEPJUHHUSA-N 209.333 2.895 30 20 BFED C=CC[C@@H]1CCCN(C(=O)CC[C@H](C)OC)C1 617780961 AZPDFUPCUMQHMO-QWHCGFSZSA-N 239.359 2.616 30 20 BFED C=CC[C@@H]1CCCN(C(=O)c2ccoc2)C1 617788829 SFKYDHFSOMSPKN-LLVKDONJSA-N 219.284 2.708 30 20 BFED C=CCC[C@@H](NCC(C)=O)c1ccccc1 639566663 XARSXMLZYXRTCA-CQSZACIVSA-N 217.312 2.873 30 20 BFED C=CCCCCn1cc(-c2cnn(CC)c2)nn1 640938624 CSFWYFMLGPWHKR-UHFFFAOYSA-N 245.330 2.518 30 20 BFED C=CCC[C@H](CC)N[C@@H]1CC[C@H](C(=O)O)C1 647468260 JNXWAPAOPQDVQG-SDDRHHMPSA-N 225.332 2.574 30 20 BFED C=CC(C)(C)C(=O)NC[C@H]1Cc2ccccc21 648161813 HNVYMJSBDHWHCD-GFCCVEGCSA-N 229.323 2.655 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@@H](CO)C[C@H](C)CC 649060470 RRNGTCVZWFQFNX-YRGRVCCFSA-N 241.375 2.502 30 20 BFED C=CCCNC(=O)NCCCCc1ccccc1 660231449 BMWCAZGQBGGTSP-UHFFFAOYSA-N 246.354 2.885 30 20 BFED C=CCCNC(=O)N[C@H]1C[C@]1(C)c1ccccc1 660742459 PHNIHRCLAYYJJQ-DZGCQCFKSA-N 244.338 2.592 30 20 BFED C=CCCNC(=O)N1CCC[C@H](C(C)C)C1 661569833 UPWWTMBDPCAHLM-LBPRGKRZSA-N 224.348 2.640 30 20 BFED C=CC1CCN(Cc2ccc(OCC)cn2)CC1 674865646 ODCZLXHSTWQAEY-UHFFFAOYSA-N 246.354 2.878 30 20 BFED C#C[C@@](C)(CC)NC(=O)/C=C/c1cccc(F)c1 700627709 JEISOGZHINHQMN-FEAKQIBJSA-N 245.297 2.757 30 20 BFED C=CCCC(C)(C)CNc1ncncc1C(=O)O 703959698 QUAUROXIGOMRRA-UHFFFAOYSA-N 249.314 2.579 30 20 BFED C=CCC(C)(C)CN[C@@H](C)c1cn(C)cn1 710019957 ZLCMJTWGHPHFJX-NSHDSACASA-N 221.348 2.673 30 20 BFED CSCC1CCN(CC2(CC#N)CC2)CC1 719291720 JBBXCXITQKORAY-UHFFFAOYSA-N 238.400 2.755 30 20 BFED CCO[C@@H]1CC(=NNc2ccccn2)C1(C)C 736428837 ZPIYTGTZMSVQJF-LLVKDONJSA-N 233.315 2.685 30 20 BFED C=CCCCCCN(C)C(=O)C[C@@H](C)OC 739653341 BVCCVMHLXFYHGX-GFCCVEGCSA-N 227.348 2.616 30 20 BFED Cc1ncsc1/C=C/C(=O)c1cncc(F)c1 742435263 UWGXKAVIDPQSQH-NSCUHMNNSA-N 248.282 2.882 30 20 BFED COC(=O)N(CC(C)C)c1ccc(C#N)cc1 745936517 BLAMCCAWBSFOPM-UHFFFAOYSA-N 232.283 2.787 30 20 BFED CC[C@H](C)[C@H](C)NC(=O)C#Cc1ccccc1 747366180 VGVFQCWAFYYUST-STQMWFEESA-N 229.323 2.589 30 20 BFED C#CCOc1ccc(CNCC2(C)CC2)cc1 748099559 XKWOVFOOWFIWTK-UHFFFAOYSA-N 229.323 2.588 30 20 BFED COc1ccc(C=NOCC(C)C)cc1C#N 749631960 TXEKCKNKXCWFCP-UHFFFAOYSA-N 232.283 2.573 30 20 BFED C#CC(=O)N(CC)[C@H](C)c1cc2ccccc2o1 753957634 UDSHKTDFCLRBAY-LLVKDONJSA-N 241.290 2.976 30 20 BFED CCc1ccc(C=NNCc2ccccc2)o1 760233607 WCYDUHNZMBHOAT-UHFFFAOYSA-N 228.295 2.966 30 20 BFED CC#CCCOC(=O)c1cc2cc(F)ccc2[nH]1 760290042 NLDOCYLYLQILBY-UHFFFAOYSA-N 245.253 2.877 30 20 BFED CC(C)C[C@@H](C#N)NC(=O)[C@H](F)c1ccccc1 769443957 JQRWNFIPGISRDG-QWHCGFSZSA-N 248.301 2.752 30 20 BFED C#C[C@H](C)N(C)Cc1cc(OC)ccc1Cl 769975742 LEYQJYRFNSWRLA-JTQLQIEISA-N 237.730 2.802 30 20 BFED C#C[C@H](N[C@@H](C)c1ccc(CC)o1)[C@H]1CCCO1 775573040 WDLXLFFJZOQWPB-CORIIIEPSA-N 247.338 2.673 30 20 BFED CCC(=NNCCOC(C)C)c1cccs1 778549707 CXYGQFYDSKWGRT-UHFFFAOYSA-N 240.372 2.877 30 20 BFED COc1cccc(NN=C/C=C/c2ccco2)n1 779816591 CXBCPSPSFSETGN-CVKONFARSA-N 243.266 2.794 30 20 BFED CC(C)[C@@H](CC1CCCCC1)C(=O)NO 782173564 UGOGCDVHMKBVNS-LLVKDONJSA-N 213.321 2.734 30 20 BFED Cc1cc(COC(=O)C2CC=CC2)ccc1C#N 783781100 CHUVKCGGFGNXLP-UHFFFAOYSA-N 241.290 2.876 30 20 BFED Cc1cccnc1C(=O)OCCCC(C)(C)C#N 784020099 XPALUEKWWNATBY-UHFFFAOYSA-N 246.310 2.877 30 20 BFED CC(=O)CC(C)(C)CC(=O)OCCCCC#N 788147421 LXIMYVWFCVGLII-UHFFFAOYSA-N 239.315 2.619 30 20 BFED CC(=NNc1ncccc1C)c1csc(C)n1 790185952 LNOYOIJOGFVBMJ-UHFFFAOYSA-N 246.339 2.991 30 20 BFED c1ncc(NN=C2CCCCCC2)cn1 794979590 JIJODASWPQCUNI-UHFFFAOYSA-N 204.277 2.599 30 20 BFED C=CCNN=Cc1cccc(OC(C)C)c1 795003902 RTKFRPPILVRHFL-UHFFFAOYSA-N 218.300 2.583 30 20 BFED Cc1ccc(C(=O)N(C)CCC(C)C)cc1C#N 799307739 SWKXROOFFQTJEL-UHFFFAOYSA-N 244.338 2.985 30 20 BFED C[C@H]1c2ccccc2CCN1CCO[C@H](C)C#N 801921156 ZPDZSFGSWOHBMV-OLZOCXBDSA-N 244.338 2.534 30 20 BFED C[C@@H](C#N)OCCSCc1ccc(F)cc1 802749752 MCPHWSFXBZCVII-JTQLQIEISA-N 239.315 2.988 30 20 BFED Cc1cccnc1CSCCO[C@@H](C)C#N 802752041 NSAUEGZYYCUYQP-NSHDSACASA-N 236.340 2.552 30 20 BFED C[C@@H]1CC(=NN[C@H]2CCCOC2)c2ccccc21 807983593 RECAVAXYBGVQLZ-NEPJUHHUSA-N 244.338 2.667 30 20 BFED C#C[C@H](NCc1ccccc1N(C)C)C(C)(C)C 809781526 URJDJBPSYSJMMJ-HNNXBMFYSA-N 244.382 2.890 30 20 BFED N#CCCCC(=O)O[C@@H](C#N)C1CCCCC1 812616067 RZQYLMTVYTWZGE-LBPRGKRZSA-N 234.299 2.696 30 20 BFED C=CCCCS(=O)(=O)N[C@@H](C)CCCCC 813648378 AYRYOSFCVHDXFP-LBPRGKRZSA-N 247.404 2.841 30 20 BFED CC(=NNc1ccccc1F)c1csnn1 814789213 BMTOSSJNYAJMNM-UHFFFAOYSA-N 236.275 2.513 30 20 BFED Cc1cccnc1NN=C1CC(C)(C)C1 814911398 FTINBBCMBBBBBI-UHFFFAOYSA-N 203.289 2.978 30 20 BFED CSCCCC=NNc1ncccc1F 814927423 NSIGSEKFIMXNCS-UHFFFAOYSA-N 227.308 2.762 30 20 BFED C[C@H]1CCC(=NNC[C@@H]2CCSC2)C1 814935985 UQUCXNRGCOFOSX-UWVGGRQHSA-N 212.362 2.505 30 20 BFED CC[C@H]1C[C@@H](C)CCC1=NN[C@@H]1CCC[C@H]1O 817338714 XVQBIWHOUIAUQP-CDGCEXEKSA-N 238.375 2.692 30 20 BFED CO[C@H]1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 821342695 QKRSUFDQAHOMRL-GJZGRUSLSA-N 244.338 2.558 30 20 BFED C=CCN(C(=O)c1cc(CCC)on1)C(C)C 823096352 CMZSAJTYFCGWAC-UHFFFAOYSA-N 236.315 2.664 30 20 BFED Cc1ccc2c(c1)CC[C@H]2NC(=O)C#CC(C)C 823371381 XJGRJMUFSGKSSA-OAHLLOKOSA-N 241.334 2.758 30 20 BFED Cc1cnc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)s1 834969917 ZMDDKKLMBZIMQX-GARJFASQSA-N 235.356 2.564 30 20 BFED C[C@H]1CC(=NNC2CCCCC2)C[C@@H](C)O1 834971164 BHZLBZFJDUXUHU-PHIMTYICSA-N 224.348 2.852 30 20 BFED CC(C)CC[C@@H]1CCC(=NNC[C@@H](C)O)C1 834983025 PLZJLYBZKDFQNX-VXGBXAGGSA-N 226.364 2.549 30 20 BFED CCCn1nc(C)c(C=NOC(C)C)c1C 835001185 DEWIQRXRZARYNJ-UHFFFAOYSA-N 223.320 2.669 30 20 BFED CC(=NNc1ccncn1)c1cc(C)sc1C 835001367 HQFWKVOVJTZJEZ-UHFFFAOYSA-N 246.339 2.991 30 20 BFED C=CCON=C1CCCC[C@H]1CCCO 835015195 QJNAJVLHXBGQJF-NSHDSACASA-N 211.305 2.508 30 20 BFED CC(C)C(=NN[C@@H]1CCOC1(C)C)C1CC1 835018023 UQDRFPCICADJLI-LLVKDONJSA-N 224.348 2.566 30 20 BFED CC(C)(C#N)OC(=O)c1cc2ccncc2s1 835222731 HFLMBJUWTXDGRC-UHFFFAOYSA-N 246.291 2.755 30 20 BFED CS[C@@H](C)CCOC(=O)c1ccc(C#N)cc1 835660056 AYDSCJCFMCWUKO-JTQLQIEISA-N 249.335 2.857 30 20 BFED C#CCC[C@H](C)OC(=O)CCc1ccoc1 839036195 ACKWYJGAUYYXOP-NSHDSACASA-N 220.268 2.557 30 20 BFED CO[C@@H]1C[C@H](/N=C/c2ccccc2O)C12CCC2 840710701 LVALAUQJBZBDMM-ORDDCKFQSA-N 245.322 2.769 30 20 BFED C#C[C@H](CC)NC(=O)N[C@@H](CCC)C1CCC1 841584441 YZDDTNSHZXPWPH-OLZOCXBDSA-N 236.359 2.666 30 20 BFED COc1ccc(CC(C)=NOCCC2CC2)cn1 841641211 SASFZSWPLMCOOV-UHFFFAOYSA-N 248.326 2.825 30 20 BFED C[C@H](O)CN(C)N=C1CC[C@@H]2CCCC[C@H]2C1 841653398 HXPMXPAXSXERRD-AVGNSLFASA-N 238.375 2.645 30 20 BFED N#CC1(CNCc2ccc(Cl)nc2)CCC1 841899306 VIFUTNMDBCIKLT-UHFFFAOYSA-N 235.718 2.518 30 20 BFED N#CCOc1cccc(OCCCCCCO)c1 842107819 DASCSLVCAXFQIQ-UHFFFAOYSA-N 249.310 2.520 30 20 BFED FC1(F)CCC(=NNC[C@H]2CCSC2)CC1 842533113 LSHJFFXOIFXPCI-SECBINFHSA-N 248.342 2.894 30 20 BFED C=C[C@@H](C)ON=C(C)c1ccc(NC(C)=O)cc1 844621463 HKYDYRQZMZCGKV-SNVBAGLBSA-N 246.310 2.960 30 20 BFED C=CCCC(=O)OC[C@@H]1CC[C@H]2C[C@@H]2C1 845764321 GYWGELXQTBIDHQ-WOPDTQHZSA-N 208.301 2.932 30 20 BFED C=C(C)CONC(=O)CCCCCCC(C)=O 846536402 JPTOCJYDDUEERB-UHFFFAOYSA-N 241.331 2.540 30 20 BFED C=C(C)CONC(=O)[C@H](C)CC1CCCC1 846538184 GDCVQFTYOCGYNE-LLVKDONJSA-N 225.332 2.827 30 20 BFED COc1ccc(NCCCCF)cc1C#N 846749321 GSTPLFBJNTZOOZ-UHFFFAOYSA-N 222.263 2.728 30 20 BFED Cc1cc(C#N)ccc1N1CCC(C)(C#N)CC1 846750275 OTRYSRNHCGWMRE-UHFFFAOYSA-N 239.322 2.997 30 20 BFED CC[C@@H](C#N)N(C)C(=O)/C=C\c1cccs1 847175650 YUNXTBUGAIYXTR-GFVADAIESA-N 234.324 2.522 30 20 BFED Cn1ncc(C2CC2)c1/C=C/C(=O)c1ccco1 849245960 DBQGCOVSKLUNGA-VOTSOKGWSA-N 242.278 2.787 30 20 BFED C#CCOCCN(CC)[C@@H]1CCCC[C@@H]1C 851966019 CCMCJKGOERQBBX-UONOGXRCSA-N 223.360 2.537 30 20 BFED C#Cc1cccnc1NCC[C@@H](C)CC 853789950 KZTGYANQRUBGSP-NSHDSACASA-N 202.301 2.911 30 20 BFED C=CCCC(C)(C)NC(=O)c1cccc(OC)n1 856373994 HXPNFBQLMPDTCS-UHFFFAOYSA-N 248.326 2.565 30 20 BFED C/C(=C/C(=O)OC[C@H](C)C#N)c1cccs1 857013181 IDWQMFOSIHGDJO-WPVMNKCKSA-N 235.308 2.854 30 20 BFED CC[C@@H](C#N)NC(=O)/C=C(/C)c1cccs1 857601141 BTCDHAVUZHRESK-RNKPRXRFSA-N 234.324 2.570 30 20 BFED Cc1cc(=NN=C2CS[C@H](C(C)C)C2)cc[nH]1 863159059 AVCOWOYDNXMZGD-ZDUSSCGKSA-N 249.383 2.741 30 20 BFED C#CCCCCCC(=O)NCc1ccc(C)o1 871022080 NRIJZSYTAIITDJ-UHFFFAOYSA-N 233.311 2.788 30 20 BFED Fc1ccccc1CCNN=C1CC[C@@H]2C[C@H]12 872359149 SYMJXCFHHKKRML-NEPJUHHUSA-N 232.302 2.744 30 20 BFED c1cncc([C@H]2CCCC(=NN3CCC3)C2)c1 872397598 PUFYMLPUGKDDET-LBPRGKRZSA-N 229.327 2.801 30 20 BFED C=CC1(OC(=O)/C=C\c2cnccc2C)CC1 893363777 FCUMKGWRCMSSTB-PLNGDYQASA-N 229.279 2.665 30 20 BFED C=CC1(OC(=O)c2ccc(OC)c(F)c2)CC1 893364979 IPPVNEQYWWWVRE-UHFFFAOYSA-N 236.242 2.710 30 20 BFED CCC#CCOC(=O)c1csc(C(C)=O)c1 893840004 GIERFSSFAMIBRE-UHFFFAOYSA-N 236.292 2.521 30 20 BFED C[C@@H](C#N)CN(C)C/C=C\c1cccc(F)c1 893995131 MQUILAOAVLBNSP-RNZFLTOJSA-N 232.302 2.930 30 20 BFED CC[C@H]1CCC[C@@H]1C(=O)Nc1ncc(C#N)s1 896492899 JYLMPXHULVYIHZ-WPRPVWTQSA-N 249.339 2.780 30 20 BFED C=C1CC(c2noc([C@@H]3O[C@@H](C)C[C@@H]3C)n2)C1 896877076 GFFGNUVDPINBEP-ATZCPNFKSA-N 234.299 2.989 30 20 BFED C=C1CC(c2noc(-c3cc(C)nc(O)c3)n2)C1 896881181 BUDNGOICFSLKIW-UHFFFAOYSA-N 243.266 2.579 30 20 BFED C#Cc1ccc(N[C@H](C)[C@H]2CCOC2)cc1 898498089 GIIXSQVSWIKHSN-YPMHNXCESA-N 215.296 2.505 30 20 BFED CCn1cc(/C=C/c2nc(C#N)cs2)c(C)n1 899389480 KXSWJOUOWXZYBZ-SNAWJCMRSA-N 244.323 2.710 30 20 BFED CC[C@@H](N[C@H](CO)C(C)C)c1cccc(C#N)c1 902835432 GVHHARMVADFIGS-HUUCEWRRSA-N 246.354 2.616 30 20 BFED CC(C)CCCNC(=O)c1ccsc1C#N 906019937 XXMOPELXVIYLQP-UHFFFAOYSA-N 236.340 2.786 30 20 BFED CCCCNN=Cc1cc2ccccc2nc1O 915970051 VRHABQOVFRFRTF-UHFFFAOYSA-N 243.310 2.664 30 20 BFED CC(=NNc1oc(C)nc1C#N)c1ccccc1 917555911 XGWZTNWELHIYBT-UHFFFAOYSA-N 240.266 2.691 30 20 BFED C=CCN(C(=S)NC(C)(C)C)C(C)C 917589408 WSXOSFKHHOSQDP-UHFFFAOYSA-N 214.378 2.556 30 20 BFED C=CCN(C(=O)NCCC(C)C)C(C)C 918054818 WAHFRWXRXZANDX-UHFFFAOYSA-N 212.337 2.639 30 20 BFED C=CC(C)(C)CN[C@H](C)c1cc(OC)no1 926520435 JRMDVHQQMUKSLM-SECBINFHSA-N 224.304 2.546 30 20 BFED C=CCC[C@@H](CC)NCC[C@@H](O)CCC 927028157 PNXFBSKPRGMDMW-OLZOCXBDSA-N 213.365 2.872 30 20 BFED CCCCCCCCC(=O)N[C@H]1COC[C@H]1C 928891765 SMLFOBWNIMDYGK-OLZOCXBDSA-N 241.375 2.888 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1n[nH]c(C)c1C 931815896 QROGULKDFQOTGX-JTQLQIEISA-N 221.304 2.567 30 20 BFED C=C[C@H](COC)N[C@@H](C)c1ccc(OCC)cc1 1116643720 TZDUMYLZCQHROS-GXTWGEPZSA-N 249.354 2.937 30 20 BFED CC1(C)CN(C(=O)NCC2(C#N)CCC2)C1(C)C 1117980714 LKCIHSCQQIIVTI-UHFFFAOYSA-N 249.358 2.510 30 20 BFED Fc1ccc(CNN=C2CC[C@@H]3C[C@H]23)cc1 1119072528 HVCONQGBPWDAFP-PWSUYJOCSA-N 218.275 2.701 30 20 BFED C[C@@H](C#N)N(C)C(=O)c1cc2cc(F)ccc2o1 1129420534 XXWRZPFNWDMKED-QMMMGPOBSA-N 246.241 2.556 30 20 BFED CC(C)[C@H](C#N)C=NNc1cccc(Cl)n1 1324142436 FIRWKYBYYRNRKW-SECBINFHSA-N 236.706 2.928 30 20 BFED CC[C@@H](C#N)OC(=O)CCOc1ccccc1C 1324283067 QRMMXNGTAVGDOQ-LBPRGKRZSA-N 247.294 2.609 30 20 BFED C=CCC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1336760945 UUBWGUOJTBJBGI-DGAVXFQQSA-N 249.354 2.511 30 20 BFED C=CCC[C@H]1CCCN1C(=O)/C=C/SC 1336761175 XVVHZBPGOZCCRF-UQSGXBNBSA-N 225.357 2.820 30 20 BFED C=CCCC(C)(C)NC(=O)[C@H](F)CC 1337350338 RFMBQHMAOIRLCP-SECBINFHSA-N 201.285 2.596 30 20 BFED C=CCC(CC=C)C(=O)N=c1c(C)c[nH]cc1C 1338993563 VJICZWRCLKDUSA-UHFFFAOYSA-N 244.338 2.827 30 20 BFED C[C@H](CC#N)N(C)C(=O)c1sccc1C1CC1 1339291784 WNBQBVMBCHLSEC-SECBINFHSA-N 248.351 3.000 30 20 BFED CC(C)NC(=S)NN=C[C@H]1CCCC[C@H]1C 1342195645 SMYZDLWSNMMLBS-GHMZBOCLSA-N 241.404 2.671 30 20 BFED C=C(CC)C(=O)N1CCC[C@@H]1c1ccncc1 1346139642 KEQDUIDSCQLQKP-CYBMUJFWSA-N 230.311 2.711 30 20 BFED C=CCCCOC(=O)CCCc1cccnc1 1357690618 YCJOPKVLUSTQQM-UHFFFAOYSA-N 233.311 2.914 30 20 BFED C=C(CC(C)C)C(=O)NCc1ccc(C)cn1 1528510618 XSXBVQIBBKXHNU-UHFFFAOYSA-N 232.327 2.609 30 20 BFED C=C(CNC(=O)c1ccns1)c1ccccc1 1556904698 VKGPEQOHXXEMSC-UHFFFAOYSA-N 244.319 2.586 30 20 BFED N#Cc1cnc(Sc2ccccc2O)c(F)c1 1612715418 BNKFNTRBNKGVCF-UHFFFAOYSA-N 246.266 2.949 30 20 BFED C=C(Cl)CNC1(C(=O)OCC)CCCCC1 1615972156 WKZXGOLVCWAGOH-UHFFFAOYSA-N 245.750 2.595 30 20 BFED CC1(C)OB([C@@H]2CCC2(F)F)OC1(C)C 1772770631 ZCWNMYWWBJVHDE-SSDOTTSWSA-N 218.052 2.878 30 20 BFED CO/N=C1\C(O)=Nc2ccc(C(C)C)cc21 17696500 HBLUKMDEIPXYDU-UHFFFAOYSA-N 218.256 2.762 30 20 BFED CCCC[C@@H](CC)C(=O)N[C@H](C#N)CC 40350889 WLOLXJQTHMYIFX-MNOVXSKESA-N 210.321 2.621 30 20 BFED C[C@H](C#N)CN(C)CCc1ccc(Cl)cc1 49828405 CUEJXUDHKFHDSB-LLVKDONJSA-N 236.746 2.974 30 20 BFED C/C(=C\C(=O)NC(C)(C)C#N)c1ccccc1 62284550 FCYJUYOEMYLPIP-PKNBQFBNSA-N 228.295 2.508 30 20 BFED CC(C)CN(C)Cc1cn2ccccc2c1C#N 65961885 NKRFJCKVQOFTBQ-UHFFFAOYSA-N 241.338 2.899 30 20 BFED C=CCN(Cc1nc(C)no1)CC1CCCCC1 69859969 LJAZIFMLGNEMEW-UHFFFAOYSA-N 249.358 2.946 30 20 BFED 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30 20 BFED N#CCCCCNC[C@H]1C[C@H]2CC[C@H]1C2 110889140 USKKLKGBMQUMNJ-RWMBFGLXSA-N 206.333 2.706 30 20 BFED C[C@H](NC[C@H](C#N)CCC#N)c1ccccc1 112545259 MGFHDVNAJWVOIE-STQMWFEESA-N 227.311 2.781 30 20 BFED C=CCNC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 115641893 UVJJNILQGWBPQU-JSGCOSHPSA-N 244.338 2.760 30 20 BFED CCCCCCCn1nccc1[N+](=O)[O-] 119710886 MWFMDNJTLUKEBK-UHFFFAOYSA-N 211.265 2.762 30 20 BFED C=CCCCN(CC)Cc1ccccn1 119747771 HNPORSFAIQRSEW-UHFFFAOYSA-N 204.317 2.870 30 20 BFED C=CCN(C)CCCc1ccccc1OC 121438568 HLOHPWVPQMLDSD-UHFFFAOYSA-N 219.328 2.746 30 20 BFED C=CC[C@@H](C)NCc1sc(C)nc1C 123808389 DVGZTURGMGXBQZ-MRVPVSSYSA-N 210.346 2.814 30 20 BFED C=CC[C@H](C)N[C@@H](C)c1cncc(F)c1 129610029 GTKYDKKAMTVTDX-UWVGGRQHSA-N 208.280 2.836 30 20 BFED N#CCCCn1cnc2cc(F)c(F)cc21 131882349 FGUHPTVNGGJEJH-UHFFFAOYSA-N 221.210 2.618 30 20 BFED C=C(Cl)CNC(=O)c1c(F)cc(F)cc1F 135017282 IWJYSIKNGKMPDW-UHFFFAOYSA-N 249.619 2.586 30 20 BFED CCC1CCN(C(=O)[C@](C)(C#N)CC)CC1 136202433 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2.663 30 20 BFED CCc1ccccc1NC(=O)CSCCC#N 58256276 JXRMTCDTKWLFCH-UHFFFAOYSA-N 248.351 2.834 30 20 BFED C=CCn1c(SCC)nnc1-c1cccnc1 59048133 ZDVHYLMRWFZJLU-UHFFFAOYSA-N 246.339 2.638 30 20 BFED C=C(C)COc1cccc(NC(=O)[C@H](C)OC)c1 66462895 JPFWRTNPGASRHO-NSHDSACASA-N 249.310 2.615 30 20 BFED CC(C)(C#N)C(=O)NCCCC1CCCC1 71972073 TZZZGFUFMZPCLX-UHFFFAOYSA-N 222.332 2.623 30 20 BFED C[C@H]1C[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 76033395 ARYCJMBPTQZBSD-CPCISQLKSA-N 249.701 2.742 30 20 BFED C[C@@]1(CO)CCC[C@H]1Nc1ccc(F)cc1C#N 78381261 JGGWIGCAWYFORW-KGLIPLIRSA-N 248.301 2.660 30 20 BFED CC[C@H](CC#N)NCc1sc(C)nc1C 84148975 XFCSKTMXDKPYQF-SNVBAGLBSA-N 223.345 2.542 30 20 BFED CSCCNc1c(F)cc(C#N)cc1F 88125020 UARXHAZFFZYOJQ-UHFFFAOYSA-N 228.267 2.611 30 20 BFED CCCN(CC#N)C(=O)C[C@@H](C)C(C)(C)C 108785134 REHRIMMTNRWGRW-LLVKDONJSA-N 224.348 2.821 30 20 BFED CCCN(CC#N)C(=O)c1ccccc1SC 108913265 MPHHGOQPFCPCNL-UHFFFAOYSA-N 248.351 2.784 30 20 BFED CC[C@@H]1CCCN(C[C@H](C#N)CCC#N)CC1 117431726 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229.323 2.662 30 20 BFED CC#CCCCC(=O)NCC1=CCCCC1 295797420 MWYMQMBPOXKWJF-UHFFFAOYSA-N 219.328 2.797 30 20 BFED CC[C@@H](CC(=O)N(C)[C@@H](C)C#N)c1ccccc1 298013557 ZKWWRCKGVFZKND-STQMWFEESA-N 244.338 2.941 30 20 BFED C=C(Cl)CN1CCC=C(c2cccnc2)C1 298659286 XVMGTGKYKYRGOQ-UHFFFAOYSA-N 234.730 2.923 30 20 BFED C=C(Cl)CN[C@@H]1CCCC12CCOCC2 301003284 YJDYPLVBRGZFHX-LLVKDONJSA-N 229.751 2.678 30 20 BFED C[C@@H]1CCC[C@@H](C)N(c2cccc(C#N)n2)C1 301820428 GHRSJOCTXMDHOC-VXGBXAGGSA-N 229.327 2.968 30 20 BFED C[C@H](C#N)CNc1ncccc1C(F)(F)F 301835274 UGBCXWMIXHQCJD-SSDOTTSWSA-N 229.205 2.672 30 20 BFED C=C(C)CN(C)c1nc2ccccc2nc1C 302026740 IIVONROFBWJKRL-UHFFFAOYSA-N 227.311 2.951 30 20 BFED CCc1cccc(OCCO[C@H](C)C#N)c1 304238289 NACLRBKEESXZJU-LLVKDONJSA-N 219.284 2.556 30 20 BFED C#CCCN[C@H](CC(F)(F)F)C(C)C 308665777 SKPBIQCZTFRGRR-SECBINFHSA-N 207.239 2.576 30 20 BFED C=C[C@H](COC)N[C@@H](C)c1ccccc1 308932483 JVZQGPWWZSIHIQ-WCQYABFASA-N 205.301 2.538 30 20 BFED C=CCCCCNC1CC(OC(C)C)C1 309025097 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30 20 BFED C=CC[C@@H](CO)CNC/C=C\c1cccc(F)c1 886057260 JQBCSICSXCVPKJ-HJHHMULASA-N 249.329 2.613 30 20 BFED C=C[C@@H]1CCCCN1C(=O)Nc1conc1C 888732476 XIFHXPBYENCYSQ-SNVBAGLBSA-N 235.287 2.555 30 20 BFED C=CC(C)(C)CC(=O)N1CCc2ncc(C)cc21 891205875 CQBXOZCIWYRFAA-UHFFFAOYSA-N 244.338 2.881 30 20 BFED C=C1CCC(C(=O)NCCC(C)(F)F)CC1 891250191 BGUFLIDIZBPKKE-UHFFFAOYSA-N 231.286 2.894 30 20 BFED C=CC(C)(C)CC(=O)O[C@H](COC)C(C)C 892795293 UDTMJMULDXMRGB-LLVKDONJSA-N 228.332 2.803 30 20 BFED C=CC1(OC(=O)c2scnc2Cl)CC1 893364798 AMYBQAAHQDFOOW-UHFFFAOYSA-N 229.688 2.672 30 20 BFED C=CCC[C@@H](N[C@@H](CC)C1CCC1)C(=O)O 901690381 OQLPLNIVFHXDFA-NWDGAFQWSA-N 225.332 2.574 30 20 BFED C=C[C@@H](CC)Cc1nc(-c2ncncc2C)no1 904011418 INLZHKNHGLOEPQ-JTQLQIEISA-N 244.298 2.590 30 20 BFED C=CCOc1cccc(NC(=O)/C=C/C)c1 919926697 AAYWHVOFDGJEIG-ZZXKWVIFSA-N 217.268 2.766 30 20 BFED N#Cc1ccsc1NC(=O)NC[C@@H]1C=CCC1 931832197 VBJVAHYEKTZQBL-SECBINFHSA-N 247.323 2.707 30 20 BFED Cc1sccc1NC(=O)N1CCC[C@@H](C#N)C1 932146118 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233.359 2.787 30 20 BFED C=CCN(CC=C)C(=O)c1cc(F)ccc1OC 97035732 DVWXJQLQTCSFLD-UHFFFAOYSA-N 249.285 2.649 30 20 BFED C=C(C)COC(=O)CCc1ccccc1 98069871 DSZOYULXXNVPFY-UHFFFAOYSA-N 204.269 2.739 30 20 BFED N#CCOC(=O)C1(c2cccc(F)c2)CCCC1 104538812 APVZPKGDPDQDBF-UHFFFAOYSA-N 247.269 2.704 30 20 BFED CC(C)Oc1ccc(OC(=O)C(C)(C)C#N)cc1 117152344 PJOCXCKCKUVTIA-UHFFFAOYSA-N 247.294 2.929 30 20 BFED C=CCC[C@@H](NC[C@H](C1CC1)N(C)C)C1CC1 120332317 TYIYYDGVUWTHQD-HUUCEWRRSA-N 236.403 2.661 30 20 BFED C[C@H](NCCCC#N)c1ccc(F)c(F)c1 128375796 NCHMUCAJSNBTDE-VIFPVBQESA-N 224.254 2.919 30 20 BFED C=C(Cl)CN1CCC[C@@H]1C(=O)OC(C)(C)C 130702558 HLBOBWRLSCAMQU-SNVBAGLBSA-N 245.750 2.545 30 20 BFED C=C[C@H](CC(=O)NC1(C#N)CC1)c1ccccc1 134858004 MZCGMPPKMYOCKG-GFCCVEGCSA-N 240.306 2.519 30 20 BFED Cc1cccc(CN(C)c2cnccc2C#N)c1 135594713 SXTTYSIHNYMWHZ-UHFFFAOYSA-N 237.306 2.898 30 20 BFED C#CCN(CC)C(=S)Nc1cccc(CC)c1 138917936 QMAWTQXVHJGSMR-UHFFFAOYSA-N 246.379 2.901 30 20 BFED C[C@@H]1CC[C@H](CNc2ccc(C#N)cc2)O1 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BFED CCN(Cc1cc2cnccc2o1)C[C@@H](C)C#N 593570095 UEORICXUGMYKEL-NSHDSACASA-N 243.310 2.809 30 20 BFED CC[C@H](C)CCNC(=O)NCC(C)(C)CC#N 595648499 JBIIIJSHKWNSFZ-NSHDSACASA-N 239.363 2.662 30 20 BFED Cc1ccc(CNc2c(C#N)cnn2C)c(C)c1 596081774 KOVZTEPALCMRBQ-UHFFFAOYSA-N 240.310 2.521 30 20 BFED C=CCCSCCNCc1ccc(O)cc1 597184925 PRZPMNVLZUGBNA-UHFFFAOYSA-N 237.368 2.791 30 20 BFED CCN(C(=O)[C@@H]1CCCC(C)(C)C1)[C@@H](C)C#N 598359478 VEXUOPYLQFTWCS-NWDGAFQWSA-N 236.359 2.963 30 20 BFED Cc1cocc1C(=O)N(CCC#N)CCC(C)C 599325803 LSRNQJIUORAVDR-UHFFFAOYSA-N 248.326 2.990 30 20 BFED Cn1c(S[C@@H](C#N)C2CC2)nc2ccccc21 601071108 UKOBDEBFADJGKU-LBPRGKRZSA-N 243.335 2.968 30 20 BFED CCN(C[C@@H](C)CCC#N)CC(F)(F)F 602445572 RDFIXAJEVYNMNW-VIFPVBQESA-N 222.254 2.810 30 20 BFED N#CCC1(CN(CC2CC2)C2CCC2)CC1 602820317 IFGVWZFWEFXFOT-UHFFFAOYSA-N 218.344 2.945 30 20 BFED CC#CCN1CC[C@@H](Cc2ccc(F)cc2)C1 607735283 ZOGBPMJEGBULGM-AWEZNQCLSA-N 231.314 2.713 30 20 BFED CC(C)[C@@H]1c2ccccc2CCN1CC#N 610788035 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CC#CCN1CC[C@H]1c1cccc(F)c1 674013962 VRJMYXLAVCPOGP-ZDUSSCGKSA-N 203.260 2.596 30 20 BFED C[C@H](CC(C)(C)C#N)NC1CCSCC1 695789213 CXCJPERPIPURTL-SNVBAGLBSA-N 226.389 2.800 30 20 BFED CCCCCCCNc1cncc(C(=O)O)n1 705951180 SFMRAKRRFBZMSJ-UHFFFAOYSA-N 237.303 2.557 30 20 BFED Cc1ccc(C=NNC2CCCC2)cc1[N+](=O)[O-] 727652716 WGYQQQQWZDGZHZ-UHFFFAOYSA-N 247.298 2.769 30 20 BFED CC(C)C(=NNc1cncc(Cl)n1)C1CC1 750937286 IWZARAVBYDBSHH-UHFFFAOYSA-N 238.722 2.964 30 20 BFED C#C[C@@H](CC)NC(=O)NC[C@@H](CC)CCCC 753059714 HWAMPDJBWXKDLI-STQMWFEESA-N 238.375 2.914 30 20 BFED FC(F)(F)CON=C[C@H]1C[C@H]2C=C[C@H]1C2 755799340 WJYGZMNWZRSSGK-XHNCKOQMSA-N 219.206 2.763 30 20 BFED Cc1cc(F)ccc1NN=CC1CCOCC1 755813757 IAMSISWAHCAELL-UHFFFAOYSA-N 236.290 2.958 30 20 BFED COc1nccnc1NN=C1CCC[C@@H]1C(C)C 763407731 GREFYSJWRISTLU-SNVBAGLBSA-N 248.330 2.709 30 20 BFED C[C@H]1CC(C)(C)C[C@H]1NCc1ccc(C#N)cn1 766213627 SNYUUTXFLHVNBI-SMDDNHRTSA-N 243.354 2.868 30 20 BFED C#C[C@@H](C)N(C)Cn1c(=S)oc2ccccc21 766663086 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238.375 2.957 30 20 BFED COc1cccc(C=NOCCC2CC2)c1OC 783553657 UNFXXRZGGFJKFC-UHFFFAOYSA-N 249.310 2.854 30 20 BFED CC1(C)CCC1=NNCc1ccc(C#N)cc1 789036566 DMIHSJDNYUGVMJ-UHFFFAOYSA-N 227.311 2.824 30 20 BFED c1ccc(CCNN=C2CCC3(CC2)CC3)nc1 789128014 PWZKHQVDBSWWMX-UHFFFAOYSA-N 243.354 2.924 30 20 BFED C#C[C@@H](C)N(C)Cc1cc2ccccc2[nH]1 789750746 NYRFFMIJQFQWKD-LLVKDONJSA-N 212.296 2.621 30 20 BFED C#CCCCC(=O)Nc1cccc2ocnc12 791005841 YQCMCLLJNFJBFA-UHFFFAOYSA-N 228.251 2.570 30 20 BFED CSCCON=C(C)c1ccc(O)cc1F 794573124 RZRUUQJHYXGLOF-UHFFFAOYSA-N 243.303 2.635 30 20 BFED COCCN(C)N=C(C)CCC=C(C)C 794970489 NHXSVOSMYLHZAU-UHFFFAOYSA-N 212.337 2.687 30 20 BFED CCCn1cccc1C=NNc1ncccc1F 794983960 GJYREPBBFLKKQK-UHFFFAOYSA-N 246.289 2.878 30 20 BFED C[C@@H](C#N)OC(=O)CCSCc1ccccc1 795848517 SFTRWSOXNSBXRA-NSHDSACASA-N 249.335 2.765 30 20 BFED C=CCCCOC(=O)[C@H]1Cc2ccc(F)cc21 796072418 XHDBPSBWYXMUQA-ZDUSSCGKSA-N 234.270 2.975 30 20 BFED C=CCC[C@H](C)N[C@H](CCO)Cc1ccccc1 799728143 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2.577 30 20 BFED C=CCC[C@@H](C)N1Cc2occ(C(=O)O)c2C1 1776166640 MLCDVWHNYHOTSD-SECBINFHSA-N 235.283 2.648 30 20 BFED C[C@H]1CCC[C@@H](N(C)c2cc(C#N)ccn2)C1 42495270 XRHIQJVNXKNCNS-WCQYABFASA-N 229.327 2.968 30 20 BFED C=CCNC(=O)C1(c2cc(C)cc(C)c2)CC1 48201310 SKCGXSMIZXSPLN-UHFFFAOYSA-N 229.323 2.637 30 20 BFED CC(C)CC/C(N)=N/OCc1ccccc1C#N 49322597 CWUFAUIXUXZFLS-UHFFFAOYSA-N 245.326 2.783 30 20 BFED C[C@H](NCCCCC#N)c1ccc(C#N)cc1 49578439 YTHCHBDBOIFXCO-LBPRGKRZSA-N 227.311 2.903 30 20 BFED COc1ccc(CCC#N)cc1Br 49600434 HQLLUIGQAYVFBX-UHFFFAOYSA-N 240.100 2.914 30 20 BFED Cc1ccc(C#N)cc1N[C@@H]1CCSC1 50429074 RIMZLQYNFVYTHZ-LLVKDONJSA-N 218.325 2.784 30 20 BFED CC[C@H](NC(=O)[C@H](C)C#N)C1CCCCC1 52343220 KZRFLAMGLARJHX-PWSUYJOCSA-N 222.332 2.621 30 20 BFED Cc1ccc(C(=O)OCCCC#N)c(C)c1 58817506 UZJOANMCNODQNB-UHFFFAOYSA-N 217.268 2.764 30 20 BFED CCCCCCCCCNC[C@H](C)O 59292818 QXXWNRZLPRUSBQ-LBPRGKRZSA-N 201.354 2.707 30 20 BFED N#Cc1ccc(N2CCSCC2)cc1Cl 61850791 DNDGLSXVLCUOFP-UHFFFAOYSA-N 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30 20 BFED C[C@H]1CC(NCC(C)(C)CCC#N)C[C@H](C)O1 128640892 CHFUXSBNHYNXMX-RYUDHWBXSA-N 238.375 2.862 30 20 BFED C#CCN(C)C(=O)c1cc(Cl)ccc1Cl 130665414 KWZFMWXJGCUFBT-UHFFFAOYSA-N 242.105 2.699 30 20 BFED CC1(C)CCC(CNC(=O)C(C)(C)C#N)CC1 133693467 LRPNIBDDHUVWFB-UHFFFAOYSA-N 236.359 2.869 30 20 BFED C=CCCS[C@H](C)C(=O)N[C@H](C)CCC 151991431 PMKRBVIKHWIOLZ-GHMZBOCLSA-N 229.389 2.989 30 20 BFED C[C@H](CC(C)(C)c1ccccc1)NC(=O)CC#N 153672195 TVXNCWOKEPGHNV-GFCCVEGCSA-N 244.338 2.773 30 20 BFED C=CCCC[C@H](C)NC(=O)c1coc(CC)n1 153912608 CQCQQDUXURXGEA-JTQLQIEISA-N 236.315 2.712 30 20 BFED Oc1ccccc1/C=N/[C@@H]1CCO[C@H](C2CC2)C1 154227007 JWHRJPMTPMWJAR-LDTNDYRISA-N 245.322 2.769 30 20 BFED C[C@H](CNCc1ccc(C#N)cc1F)C1CC1 158090300 QUZUCIFUJBLBST-SNVBAGLBSA-N 232.302 2.833 30 20 BFED C=C(C)CCOC(=O)[C@H]1OCCc2ccccc21 161028255 YGPQDFABTRYIAR-AWEZNQCLSA-N 246.306 2.810 30 20 BFED C=CCN(c1cccc(F)c1C#N)C1CC1 165348502 PMQOZNXYBCRFRK-UHFFFAOYSA-N 216.259 2.852 30 20 BFED 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30 20 BFED CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cccc(C#N)n1 335376870 SWCRSSZBUJADCU-BXUZGUMPSA-N 243.310 2.574 30 20 BFED Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCS1 335400726 OQOUNGHRZHDJJT-LBPRGKRZSA-N 246.335 2.701 30 20 BFED C=CC1CCN(c2ncccc2F)CC1 335701766 JVVRTAZBKJXCIV-UHFFFAOYSA-N 206.264 2.623 30 20 BFED CCC[C@@H]1CCC[C@@H]1C(=O)N1CCC(C#N)CC1 336240318 CSLHWWOBHBNAPV-KGLIPLIRSA-N 248.370 2.965 30 20 BFED C[C@@H]1CC2(CCC2)CN1C(=O)CC(C)(C)C#N 336441264 MOJJFMLKXBJQAL-LLVKDONJSA-N 234.343 2.717 30 20 BFED C=CCN1CC=C(c2c[nH]c3ncccc23)CC1 336589937 PYOYSBJEMFIPNQ-UHFFFAOYSA-N 239.322 2.838 30 20 BFED N#Cc1cc(N[C@H]2CCC[C@@H]2F)ccc1[N+](=O)[O-] 338827279 IJXMLTRKFNAKDV-QWRGUYRKSA-N 249.245 2.769 30 20 BFED CCC[C@@H](C#N)N(C)C(=O)c1ccc(F)cc1 339172112 CZHPMDRMUYOJGO-LBPRGKRZSA-N 234.274 2.590 30 20 BFED COc1cc(COc2ccc(C#N)cc2)ccn1 339619897 ZVLYSOCDTIYANE-UHFFFAOYSA-N 240.262 2.541 30 20 BFED C=CC[C@@H](CO)CN[C@H]1CCc2c(F)cccc21 341871099 CQIKRFAAFVCDER-ABAIWWIYSA-N 249.329 2.587 30 20 BFED 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GTMRPEDJVZTGAC-GFCCVEGCSA-N 245.322 2.991 30 20 BFED C=C(C)C(C)(C)C(=O)Nc1cccc2nonc12 823808106 AYNZUMFSCDPMCF-UHFFFAOYSA-N 245.282 2.764 30 20 BFED C=C(C)COc1cc(C(=O)O)cc(F)c1C 833369081 DRVCOMQWPYTUSJ-UHFFFAOYSA-N 224.231 2.787 30 20 BFED CCC[C@H](C=NOC[C@@H](C)CC)OC 834981320 MLUSQUACRNCFGZ-WDEREUQCSA-N 201.310 2.850 30 20 BFED CCCCC(C)=NNc1ccc(C(=O)O)nc1 835007156 PPNVMGMMKPLPCZ-UHFFFAOYSA-N 235.287 2.758 30 20 BFED CCn1cccc1C=NNCc1ccc(C)cc1 835009501 XLKJBCIPGPHSRR-UHFFFAOYSA-N 241.338 2.940 30 20 BFED C=C(CC)CNC(=O)NOC1CCCCC1 836410384 MAAHEVOARUVXRM-UHFFFAOYSA-N 226.320 2.516 30 20 BFED C=C(C)CCNC(=O)/C(=C\c1ccccc1)OC 836825271 YMYDHTMSVXKJHH-SDNWHVSQSA-N 245.322 2.756 30 20 BFED C#CCCOC(=O)c1c(C)cccc1Cl 837765741 DWXWFUPHMLWOMD-UHFFFAOYSA-N 222.671 2.829 30 20 BFED C#CCC[C@@H](C)OC(=O)C[C@H](OCC)C(C)C 839036669 GICZVRPTZNWDRP-OLZOCXBDSA-N 240.343 2.783 30 20 BFED C#CCC[C@@H](C)OC(=O)c1occ2c1CCC2 839040023 VMXIFRUQOINECQ-SNVBAGLBSA-N 232.279 2.727 30 20 BFED Cc1occc1C=NNCCC(C)(C)C 841632850 SHUFMAHHTRKEFE-UHFFFAOYSA-N 208.305 2.948 30 20 BFED CNC(=S)N(C)N=C[C@@H]1CCCC(C)(C)C1 841647896 MQUSCOZGUNUEGX-SNVBAGLBSA-N 241.404 2.625 30 20 BFED Cc1cccc(NN=C2CO[C@@H](C)C2)c1 842521385 AXSZLNQLWWBGFQ-JTQLQIEISA-N 204.273 2.572 30 20 BFED C=C(C)CONC(=O)N(CC(C)C)CC(C)C 845592685 HHFHIEOTCNVCBH-UHFFFAOYSA-N 242.363 2.818 30 20 BFED C=C(C)CONC(=O)N[C@H](C)c1ccc(C)cc1 845594421 ZVWVZMJYQUVXLU-GFCCVEGCSA-N 248.326 2.863 30 20 BFED CN(C)C(=NCC(C)(C)C(C)(C)C)N(C)C 849030856 ASXOYTUDUVFFSF-UHFFFAOYSA-N 227.396 2.538 30 20 BFED C=C(C)COC(=O)c1ccc(NC)c(F)c1 850150193 DYYUQPYCOHSMOX-UHFFFAOYSA-N 223.247 2.600 30 20 BFED CC1(C)C(=NOC[C@H]2CCOC2)[C@H]2CCC[C@H]21 853337835 VDYKDFPXBCNXRC-SDDRHHMPSA-N 237.343 2.852 30 20 BFED Cc1ccoc1C=NN1CCCC[C@@H]1C 853378781 CQUWADJZDVSXRK-NSHDSACASA-N 206.289 2.796 30 20 BFED C#C[C@](C)(CC)NC(=O)CCc1ccccc1F 854696185 XKIVFKBGKGRBNJ-OAHLLOKOSA-N 247.313 2.676 30 20 BFED C#CCCNC(=O)[C@H](CCCC)C(C)C 857124657 FKGMHXRFZKNLRU-GFCCVEGCSA-N 209.333 2.588 30 20 BFED C#CCCOC(=O)N(CC)c1cccc(C#C)c1 858941701 IRTKMKHANFBWFK-UHFFFAOYSA-N 241.290 2.654 30 20 BFED CCCCCCCC(=O)N[C@H]1C[C@H](OC)C1 863666490 ZFQLYICECOPNJG-HAQNSBGRSA-N 227.348 2.641 30 20 BFED CCCCOC(=O)CS[C@@H](C)CCC#N 865377001 LIVDEXNECISKBD-JTQLQIEISA-N 229.345 2.755 30 20 BFED C#CCCCCCCNC[C@@H]1CCC[C@H](O)C1 877057985 BXFKKHKVKCSLKK-CABCVRRESA-N 237.387 2.711 30 20 BFED C#C[C@@H](NCc1nc2ccccc2o1)C(C)(C)C 877534824 OBOIHWAVBJDCDT-CYBMUJFWSA-N 242.322 2.965 30 20 BFED C=CC[C@H](C)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 878951726 MSVSBKRAIBIYQY-QEJZJMRPSA-N 247.386 2.686 30 20 BFED Cc1ccc(N2CCCC[C@@H](C)C2)c(C#N)n1 882200439 DWDCZIJCZYDPCD-LLVKDONJSA-N 229.327 2.888 30 20 BFED Cc1cc(C#N)nc(N[C@@H]2CCCC[C@H]2F)c1 894201197 JPCBBVJTHDFYQM-VXGBXAGGSA-N 233.290 2.954 30 20 BFED C=C(CC)CNCc1c(C)noc1CC 894776379 VVFYHJBNBIHGGQ-UHFFFAOYSA-N 208.305 2.601 30 20 BFED C=CCCSCc1cncc(C(=O)OC)c1 901767703 ZNABMHZLVKSIKD-UHFFFAOYSA-N 237.324 2.678 30 20 BFED CCCCCCCN[C@H](C)[C@@H]1C[C@@H]1C(=O)O 902061296 OCYBDOMWKFWPAD-WOPDTQHZSA-N 227.348 2.656 30 20 BFED COc1ccsc1[C@@H](C)NCC(C)(C)C#N 903102404 YFXPMAYSIZZTPK-SECBINFHSA-N 238.356 2.957 30 20 BFED C[C@@H]1C[C@H]1C(=O)N(O)Cc1ccccc1Cl 904187939 XNUCNTGTTWEJKO-PSASIEDQSA-N 239.702 2.714 30 20 BFED C=CC[C@H](CC)NC(=O)c1ccc2[nH]ccc2n1 907962225 JRNKSJYUILKPSO-JTQLQIEISA-N 243.310 2.647 30 20 BFED C=CCC(C)(C)C(=O)Nc1cc(C)cc(O)n1 910610221 XIIKGLLATBYGJX-UHFFFAOYSA-N 234.299 2.636 30 20 BFED C=C(CC)COC(=O)[C@@H]1CCO[C@@H](C(C)C)C1 924312031 YNCFJUAKFVKJRD-CHWSQXEVSA-N 240.343 2.947 30 20 BFED C=CCC[C@@H](N[C@H]1C[C@H](CO)C1)c1ccco1 927147487 LJOKJEKVSHCWPG-JHJVBQTASA-N 235.327 2.647 30 20 BFED C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 928032189 CDJULOIWIJZJHE-WISYIIOYSA-N 221.344 2.749 30 20 BFED C=C[C@H](CC)CC(=O)NCCC(F)(F)F 933806701 JYQOFKBBBBALMJ-MRVPVSSYSA-N 223.238 2.657 30 20 BFED CC(C)[C@H](C#N)C=NNc1cccc([N+](=O)[O-])c1 1116348130 OBCSJJIPXIFBRF-SNVBAGLBSA-N 246.270 2.788 30 20 BFED C=C(CC)C(=O)Nc1nc(C)c(C)s1 1123538746 KIJZCBQCJOVEMR-UHFFFAOYSA-N 210.302 2.665 30 20 BFED C=C(CC)C(=O)N(CCOC)[C@H]1CC[C@@H](C)C1 1123845510 JHOMWGBWEXJQNH-YPMHNXCESA-N 239.359 2.616 30 20 BFED Cc1cc(C(=O)N(CCC#N)CC(C)C)oc1C 1319249966 LKJKQINOSUVWEK-UHFFFAOYSA-N 248.326 2.908 30 20 BFED C#CCOCCNc1cc(C)c2ccccc2n1 1320320260 FSSZPLAIXJQOHV-UHFFFAOYSA-N 240.306 2.605 30 20 BFED C=CCOCCN1CC[C@@H]2CCCC[C@H]2C1 1327799849 ASUIXGUIQIVBMF-KBPBESRZSA-N 223.360 2.701 30 20 BFED C#Cc1ccc(NCCCSCC)nc1 1336613574 IHEQFFCOEKBZBS-UHFFFAOYSA-N 220.341 2.618 30 20 BFED N#C[C@H](NC(=O)[C@@H]1CC12CCCC2)C1CCCC1 1338216490 PLVOFBCIGOYCHR-STQMWFEESA-N 246.354 2.765 30 20 BFED CC[C@H](F)C(=O)N[C@@H](CCC#N)c1ccccc1 1348731966 IQCAPVYPISYPDX-STQMWFEESA-N 248.301 2.896 30 20 BFED C=C(C)CCC(=O)N1CCC(CSC)CC1 1353810847 SKQHJRHWDGVZKM-UHFFFAOYSA-N 241.400 2.944 30 20 BFED N#C[C@H](C(=O)C=C1CCCC1)c1cccc(F)n1 1516710698 OKLLUCLTZCWFHK-NSHDSACASA-N 244.269 2.897 30 20 BFED CCCC(C)(C)C(=O)[C@@H](C#N)c1nccn1CC 1517045144 ARDMOAZLTPYSCQ-LLVKDONJSA-N 247.342 2.906 30 20 BFED C=C(C)[C@H](C)OC(=O)c1cn(CCC)nc1C 1525268185 PINSEQZSJYXNBH-NSHDSACASA-N 236.315 2.723 30 20 BFED CN(C(=O)c1cc(C#N)cs1)c1ccsc1 1585288303 YCWMRQKAMKSBRO-UHFFFAOYSA-N 248.332 2.958 30 20 BFED N#Cc1cnc(Oc2ccccc2C#N)c(F)c1 1641975815 SABMVZXQNQUBBO-UHFFFAOYSA-N 239.209 2.756 30 20 BFED C=CC[C@@]1(C(=O)O)CCCN(CCC(=C)C)C1 1776153127 LQETZDFGDSPQQF-CQSZACIVSA-N 237.343 2.696 30 20 BFED C=Cc1ccc(CN[C@@H](C=C)CCC(=O)O)cc1 1776191632 PTWRPDOKSFOANL-AWEZNQCLSA-N 245.322 2.839 30 20 BFED C#CCN[C@H](C)c1ccc(C(F)(F)F)cc1 19875697 WRGSYLIQNOUCNH-SECBINFHSA-N 227.229 2.989 30 20 BFED Cc1cc(C)cc(CN(C)CCC#N)c1 37978569 QDZBKOIVJXEQRM-UHFFFAOYSA-N 202.301 2.649 30 20 BFED C=CCN(C(=O)c1ccccc1)C(C)C 38951381 OZKKYJLWHFMRGR-UHFFFAOYSA-N 203.285 2.723 30 20 BFED CCCCOc1ccc(C(=O)N[C@H](C)C#N)cc1 40350228 CWMZTIPFOZJEOG-LLVKDONJSA-N 246.310 2.507 30 20 BFED CN(Cc1cscn1)c1ccc(C#N)cc1 42804992 UOCJRCPJASUAEJ-UHFFFAOYSA-N 229.308 2.651 30 20 BFED C[C@@H](CC#N)NC(=O)[C@@H]1CCCc2ccccc21 50335938 FDWAVVNFIDQJGX-SMDDNHRTSA-N 242.322 2.525 30 20 BFED CC#CCOc1ccc2c(c1)OC(C)(C)CC2=O 51663852 JCYGWVREOAMIEG-UHFFFAOYSA-N 244.290 2.833 30 20 BFED C=CCCO[C@H](C)C(=O)Nc1ccc(OC)cc1 69311552 MKDCYLDSRSLBON-LLVKDONJSA-N 249.310 2.615 30 20 BFED C=C(C)CN1CCC[C@@H]1CN1CCCCC1 69607874 UIRWFHYSWDBKQH-CQSZACIVSA-N 222.376 2.513 30 20 BFED N#Cc1cc(F)ccc1NCc1ccco1 71519575 UKHUVYRNRFPBMA-UHFFFAOYSA-N 216.215 2.902 30 20 BFED C=C(C)CN(CCC(=O)O)Cc1ccccc1 71740417 NRYRGOLRDWXQRM-UHFFFAOYSA-N 233.311 2.539 30 20 BFED C[C@H]1C[C@@H]1c1ccc(CNC(=O)C(C)(C)C#N)o1 77698999 ZECYYCJVRQINRR-ONGXEEELSA-N 246.310 2.569 30 20 BFED CCC(CC)(CCO)CNc1cnccc1C#N 91730151 CEOAIWDGEMCSFU-UHFFFAOYSA-N 247.342 2.554 30 20 BFED C=CCOC(=O)C1(c2ccc(F)cc2)CCC1 97087203 QWJAXXADFKYPRM-UHFFFAOYSA-N 234.270 2.977 30 20 BFED COc1ccc(CN(C)[C@@H](C)CC#N)cc1C 103144446 CRUKRGZESQXZDB-LBPRGKRZSA-N 232.327 2.738 30 20 BFED CC1(CNC(=O)c2ccc(C#N)cc2)CCCC1 111617322 LDCOIDRPDSUQBS-UHFFFAOYSA-N 242.322 2.868 30 20 BFED C=CCCOC(=O)Cc1c(F)cccc1F 120602508 SXDYUNXFSUKDEN-UHFFFAOYSA-N 226.222 2.627 30 20 BFED Cc1ccc(C)c(C(=O)N[C@@H](C#N)C(C)(C)C)c1 122102834 QVBDMIJDZRSYBW-ZDUSSCGKSA-N 244.338 2.972 30 20 BFED N#CC1(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)CCCCC1 122145460 HYPILBSCUWJBCB-AVGNSLFASA-N 244.338 2.541 30 20 BFED C[C@H](O)C[C@H]1CCCCN1CCC(C)(C)C#N 123877395 WYDKRBYDDRIZGV-QWHCGFSZSA-N 238.375 2.552 30 20 BFED C#CCCCC/N=C(\N)Nc1ccc(C)cc1 129151872 NORWWJDDBDQYFB-UHFFFAOYSA-N 229.327 2.525 30 20 BFED C=CCC[C@@H](C)N[C@@H](C(=O)OC)c1ccccc1 130252588 BZQVUZSXMFYEIF-TZMCWYRMSA-N 247.338 2.845 30 20 BFED N#CCC[C@@H](NCc1cc[nH]n1)c1ccccc1 130467149 QFGHSUPILBZCGE-CQSZACIVSA-N 240.310 2.544 30 20 BFED Cc1cc(OCCN2CCCCC2)ccc1C#N 133511661 DCGYIGVVTMKLMX-UHFFFAOYSA-N 244.338 2.731 30 20 BFED Cc1ccc(C)c(CN[C@@H](C)CC#N)c1 134972832 HRWPUDLGXMUVCO-LBPRGKRZSA-N 202.301 2.695 30 20 BFED Cc1ccoc1CNCc1ccc(C#N)cc1 135150622 IQFLRSJALYBWRN-UHFFFAOYSA-N 226.279 2.750 30 20 BFED C=C[C@H](C)N[C@H](C)c1ccc(C#N)cc1 135521785 OCIYVLUEDKGJLL-WDEREUQCSA-N 200.285 2.783 30 20 BFED C[C@H]1CC[C@H](CNc2ccc(C#N)cc2)O1 148390710 QHRZLAUKMKBNNJ-GXFFZTMASA-N 216.284 2.538 30 20 BFED C=C(Cl)CN1CCc2c(F)cccc2C1 152816630 AHIWDEAKIZWRSA-UHFFFAOYSA-N 225.694 2.936 30 20 BFED C=C(C)COCCNC(=O)C1=CCCCCC1 154095269 ZXHJXGPCOSCEGD-UHFFFAOYSA-N 237.343 2.586 30 20 BFED N#Cc1ccc(Sc2cc(F)ccc2F)nn1 156930685 XMMDIHVRWBWCEZ-UHFFFAOYSA-N 249.245 2.778 30 20 BFED CCOc1ccc(NCCC#N)cc1F 159842421 XCIWVDXCBFNYKE-UHFFFAOYSA-N 208.236 2.550 30 20 BFED CS[C@@H](C)CC(=O)N(C)c1cccc(C#N)c1 161144218 IPANUYAXPVBIQK-JTQLQIEISA-N 248.351 2.663 30 20 BFED C#CCCCOc1ccc(C(=O)O)cc1Cl 163029652 SHKJMYHJZPRPSX-UHFFFAOYSA-N 238.670 2.830 30 20 BFED C#CCN(CC)C(=O)c1c(C)cc(C)cc1C 164843216 LMQPWVQBNDMDLT-UHFFFAOYSA-N 229.323 2.707 30 20 BFED C=CCC[C@@H](C)NCc1cnccc1C 167239794 ZKXCFDMIBUPLPO-GFCCVEGCSA-N 204.317 2.834 30 20 BFED C=CCN(CCc1ccccc1)CC(F)F 171991124 RKIQTCAPCSGKMG-UHFFFAOYSA-N 225.282 2.982 30 20 BFED CCCCCCCCN1CCO[C@@H](COC)C1 172880938 RAPBXEYLUKOSMC-CQSZACIVSA-N 243.391 2.694 30 20 BFED C[C@@H](CO)CS[C@H](C#N)C1CCCCC1 173927929 ATHWVVKFEUMHKG-CMPLNLGQSA-N 227.373 2.820 30 20 BFED C=CCCCCCN(C)C(=O)C1=CCCCO1 175125407 WCCSUVXQEJGQHE-UHFFFAOYSA-N 237.343 2.886 30 20 BFED C#CCCCNC(=O)Nc1ccc(C)cc1OC 175488087 ZYBORYZCXISNQT-UHFFFAOYSA-N 246.310 2.539 30 20 BFED CCCCCCCCN1CC[C@](C)(O)C1 177992388 AZPKGWZCLKKDAI-ZDUSSCGKSA-N 213.365 2.804 30 20 BFED C[C@@H](NCCCCC#N)c1ccc(F)cc1O 185339193 FBWCUJBFMAMKMK-SNVBAGLBSA-N 236.290 2.876 30 20 BFED CC#CCCCC(=O)Nc1ccc(F)c(C#N)c1 185456746 ROAGAQMDXVZVII-UHFFFAOYSA-N 244.269 2.829 30 20 BFED C=CCN(C)Cc1cc(C(C)=O)ccc1OCC 189023244 SCEDYAIAMPQIIQ-UHFFFAOYSA-N 247.338 2.906 30 20 BFED C=C[C@](C)(CCOC)C(=O)N[C@@H](C)CC(C)C 189576718 RDZLOXFNYXSDBR-GXTWGEPZSA-N 241.375 2.766 30 20 BFED C[C@@H]1CSCCN(Cc2cccc(C#N)c2)C1 190419356 ACKPOUQALFFADO-LBPRGKRZSA-N 246.379 2.743 30 20 BFED C=C(C)CN(CC)C(=O)CC(C)(C)CC(C)=O 191732564 LMQRKHJLRCPHHI-UHFFFAOYSA-N 239.359 2.806 30 20 BFED C#CCCCC(=O)N(Cc1ccccc1)C1CC1 192115271 CUAPLDZQWZXDPW-UHFFFAOYSA-N 241.334 2.981 30 20 BFED C#CCCCC(=O)NCC1(CC(C)C)CC1 192150778 IRJBXKHUIJOCFA-UHFFFAOYSA-N 221.344 2.732 30 20 BFED CCCC(CCC)C(=O)NCCCC#N 211875945 XSSNNAGOOKBESD-UHFFFAOYSA-N 210.321 2.623 30 20 BFED N#CCCCCN1CCC[C@@H]2CCC[C@@H]21 227167071 GEEJNDCYRCXWBE-STQMWFEESA-N 206.333 2.945 30 20 BFED C#C[C@H](CC)N[C@H](C)Cc1ccc(OC)cc1 229885631 ISTPWTJJUGMBBK-TZMCWYRMSA-N 231.339 2.628 30 20 BFED CC1(C)CCN(CC2(CC#N)CC2)CCS1 231046469 SUANTQOGFGSUTA-UHFFFAOYSA-N 238.400 2.898 30 20 BFED CN(c1nccc(C#N)n1)C1CCC(C)(C)CC1 231903711 JKQFUUUAJKKHPJ-UHFFFAOYSA-N 244.342 2.753 30 20 BFED C[C@H]1C[C@H](NCc2cccc(C#N)c2)C[C@@H](C)O1 245630988 DKGCDLDYWWLUBK-JJLQDPRZSA-N 244.338 2.604 30 20 BFED N#Cc1ccc(NC[C@@H]2C[C@H]3CC[C@H]2C3)nc1 249900771 HCOHNLSKKIEDMH-DRZSPHRISA-N 227.311 2.801 30 20 BFED CC[C@H](C#N)OC(=O)/C=C\c1cccc(F)c1 255376955 GUSMQCBHCOGRLN-ZHRWSRJISA-N 233.242 2.684 30 20 BFED N#CC[C@H]1CCCN(C(=O)c2cccs2)C1 259984810 MTLNAQQDJCDIBO-SNVBAGLBSA-N 234.324 2.514 30 20 BFED N#CCCNc1ccnc2cc(F)ccc12 260527536 WURCQALAMJHMHV-UHFFFAOYSA-N 215.231 2.699 30 20 BFED CCC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 260993363 UIPVOAJYIRZSTQ-QWHCGFSZSA-N 206.333 2.801 30 20 BFED C=CCCN(C)C[C@@H]1OCCc2ccccc21 265788830 LWNGXFVWDKYNPL-HNNXBMFYSA-N 231.339 2.808 30 20 BFED C=CCCN1CC[C@@H](COc2ccccc2)C1 272580792 OGMUNTLPMYKQEQ-CQSZACIVSA-N 231.339 2.963 30 20 BFED N#CCCCNCc1cc2ccccc2o1 273034695 GZAYTGOJDMSOKM-UHFFFAOYSA-N 214.268 2.826 30 20 BFED C=CCCN(C)C(=O)c1c(C)cccc1[N+](=O)[O-] 278363726 QEVLATWXKYFKFV-UHFFFAOYSA-N 248.282 2.551 30 20 BFED Cc1nnc(S[C@H]2CC[C@H](C#N)C2)s1 278600962 QSOKRJNSKZCOCS-YUMQZZPRSA-N 225.342 2.631 30 20 BFED CC(C)(C#N)CC(=O)N1CCc2c(F)cccc21 278877532 VYCADGASVHXCCO-UHFFFAOYSA-N 246.285 2.655 30 20 BFED C=CC[C@H](CC)NCc1ccccc1O 281311930 JZIJXOUGKZNEIH-LBPRGKRZSA-N 205.301 2.837 30 20 BFED CCCC[C@H](C)C(=O)Nc1ccn(CCC#N)n1 281798454 FXWNBECPZKJLCO-NSHDSACASA-N 248.330 2.562 30 20 BFED CC[C@H]1CN(c2ccc(C#N)cc2)CCCO1 281868633 NFCZINBWRSAUEB-AWEZNQCLSA-N 230.311 2.564 30 20 BFED CC#CC(=O)N(C)[C@H](CC)Cc1ccc(C)cc1 283244660 PUKQOSSVPJGSAS-OAHLLOKOSA-N 243.350 2.798 30 20 BFED N#Cc1ccc(OCC2CCC(=O)CC2)c(F)c1 286514185 VANFWQZCCQDHJZ-UHFFFAOYSA-N 247.269 2.835 30 20 BFED C#CCN(Cc1ccccc1)C(=O)C1CC=CC1 286623485 USWMUNWVTKWZIO-UHFFFAOYSA-N 239.318 2.615 30 20 BFED C=C(C)CS(=O)(=O)c1cc(F)c(C)cc1F 292706164 GYRKCAZDKQCCAB-UHFFFAOYSA-N 246.278 2.623 30 20 BFED COc1ccc([C@@H](C)NCCC#N)c(C)c1OC 298520200 LKEVTJUEJIDDAR-LLVKDONJSA-N 248.326 2.577 30 20 BFED Cc1ccc(NCCO[C@@H](C)C#N)c(C)c1 304214836 FZVKMOUGTFNBCP-LBPRGKRZSA-N 218.300 2.644 30 20 BFED C=C[C@H](Nc1cccc2c1CCCC2)C(=O)O 304220265 LRHOLPNNAWSKBF-LBPRGKRZSA-N 231.295 2.617 30 20 BFED Cc1cc(N[C@@H](C)[C@H]2CCCCO2)cc(C#N)n1 308276705 HUVQTXAIKHVZAW-SMDDNHRTSA-N 245.326 2.631 30 20 BFED C=C(C)CNc1cnn(-c2ccccc2)c1 309541494 GLYGAOVIJBEZTL-UHFFFAOYSA-N 213.284 2.860 30 20 BFED CCC#C[C@@H](C)N[C@@H](C)c1cncc(F)c1 309780439 MTGKISZQDJMTKV-MNOVXSKESA-N 220.291 2.673 30 20 BFED Cc1cc(C)nc(N=C(O)[C@@H]2C[C@@]23CCOC3)c1 329623058 HKPQLUCCHQDYCI-SMDDNHRTSA-N 246.310 2.713 30 20 BFED C[C@H]1CC(C)(C)CN1c1cccnc1C#N 334654270 ICCSXGPOHWFFDM-JTQLQIEISA-N 215.300 2.578 30 20 BFED CC1=C(C(=O)N[C@@](C)(C#N)C(C)(C)C)CCC1 334700395 QWPHTPZOGIDPPP-AWEZNQCLSA-N 234.343 2.931 30 20 BFED N#CCCN1CCc2cccc(Cl)c2C1 334798445 WSLDSGOMQBRRPD-UHFFFAOYSA-N 220.703 2.612 30 20 BFED C=C(C)C(C)(C)C(=O)N1CCCC2(CC2)C1 335489526 YXCVOFUVEDZTRY-UHFFFAOYSA-N 221.344 2.991 30 20 BFED COc1cccc([C@H]2C[C@H](C)CN2CC#N)c1 335795502 YILYRKVKQFMRGQ-SMDDNHRTSA-N 230.311 2.602 30 20 BFED C=C[C@@H](C)NC(=O)Nc1cccc2[nH]ccc12 336042158 FVVFKZFRMGCZHO-SECBINFHSA-N 229.283 2.864 30 20 BFED N#C[C@@H]1CC[C@@H](NCc2ccc(F)cc2F)C1 336052533 VHFHLCPNZQMOCZ-BXKDBHETSA-N 236.265 2.747 30 20 BFED C=CCC(C)(C)c1noc(CC[C@@H](C)OC)n1 340767127 DMLOWMAXPLPQSZ-SNVBAGLBSA-N 238.331 2.891 30 20 BFED C/C=C\C[S@@](=O)Cc1ccc(CC#N)cc1 342248355 NUCMPXVHAOBNKQ-RXYHWBRQSA-N 233.336 2.577 30 20 BFED CC[C@](C)(C#N)C(=O)N1C[C@H](C)CCC[C@@H]1C 342431018 FBLPOSQJSOZGSW-MBNYWOFBSA-N 236.359 2.963 30 20 BFED C=CCC(CC=C)C(=O)N(CC)C[C@@H](C)C#N 343912087 CAZDLJNRDAOOGZ-LBPRGKRZSA-N 234.343 2.763 30 20 BFED C=CCCCNC(=O)c1ccc(CC)nc1C 344459833 ICVYFLMWRRCOFD-UHFFFAOYSA-N 232.327 2.648 30 20 BFED C=C(C)CN1CCC(N[C@@H]2CC[C@@H]2CC)CC1 348125169 XLISHZSFRRFPMD-DZGCQCFKSA-N 236.403 2.805 30 20 BFED C=CCN(Cc1cnc2cccc(C)n12)C1CC1 350272068 XFDIRXQWYTXNMK-UHFFFAOYSA-N 241.338 2.793 30 20 BFED C=C(C)CCc1noc(C[C@H]2C[C@H]2C)n1 350417243 ACWVFQPBPVBNEE-NXEZZACHSA-N 206.289 2.777 30 20 BFED C=CC[C@@H](C)[C@@H](C)NCC1(C(=O)OCC)CC1 351941414 QVTNWGIAHASDCQ-VXGBXAGGSA-N 239.359 2.520 30 20 BFED C=CCC(C)(C)CNC(=O)[C@H]1C[C@H]1C1CC1 352472126 YGSGNYPDLYZSAU-RYUDHWBXSA-N 221.344 2.751 30 20 BFED CC[C@H](C)[C@H](C)N(C(=O)[C@H](C)C#N)C1CC1 353768675 BSVIAUADJQGSOJ-AXFHLTTASA-N 222.332 2.572 30 20 BFED C[C@@H](N(C)C(=O)CC(C)(C)C#N)C1(C)CC1 354630972 NERDVERBDHNXIM-SNVBAGLBSA-N 222.332 2.573 30 20 BFED C=C[C@@H]1CCCCN1C(=O)C[C@H]1CCC(=O)[C@@H]1C 357141355 GPQHLNJUYHCGEH-JHJVBQTASA-N 249.354 2.559 30 20 BFED C=CCCC(=O)Nc1cccc2c1CCO2 357684693 CDRCNOSLJMYBBJ-UHFFFAOYSA-N 217.268 2.526 30 20 BFED COc1cccc(NCC(C)(C)C#N)c1[N+](=O)[O-] 357704839 HXUNKOIMAKXTLS-UHFFFAOYSA-N 249.270 2.565 30 20 BFED CS[C@H](C)CCC(=O)N[C@](C)(C#N)C(C)C 358423370 GPILJVPILVKRBK-ZYHUDNBSSA-N 242.388 2.573 30 20 BFED CC[C@@H](C#N)SCc1ccc2c(c1)OCO2 358550571 ZVOANAIVKYKEOZ-JTQLQIEISA-N 235.308 2.951 30 20 BFED C=CCN(CCC#N)C(=O)[C@H]1CC=CC[C@@H]1C 359420622 SAEYZPCAXFWALF-STQMWFEESA-N 232.327 2.517 30 20 BFED COc1cccc([C@H](C)NC(=O)CCCC#N)c1 360006188 KWSSCIWTOQWFON-NSHDSACASA-N 246.310 2.566 30 20 BFED C=C[C@@H](C)NC(=O)c1cnc(C(C)(C)C)s1 362586743 IEGJCYRNMMDZBD-MRVPVSSYSA-N 238.356 2.745 30 20 BFED C=C[C@@H](C)NC(=O)c1csc2c1CCCC2 362591115 GOKFERFESIBVJO-SECBINFHSA-N 235.352 2.931 30 20 BFED 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233.355 2.618 30 20 BFED C=C(C)CCNC(=O)[C@]1(C#N)CC12CCCC2 452743128 TYCSKBNUMDKPOL-CQSZACIVSA-N 232.327 2.543 30 20 BFED C=CC(C)(C)CN[C@H]1CCC[C@H]1CCOC 453311745 SVFOKJLDPYGZGK-STQMWFEESA-N 225.376 2.993 30 20 BFED C=CCC[C@@H](NC[C@@H]1CCCC[C@H]1O)C1CC1 453382447 SFQAQTOOWIBCJP-RRFJBIMHSA-N 237.387 2.872 30 20 BFED C=C(C)CCNC(=O)Nc1ccnn1C(C)C 454276572 SRQCSLJTYKGHGU-UHFFFAOYSA-N 236.319 2.552 30 20 BFED CC[C@@H](C)NC(=O)Nc1cccc(CC#N)c1 455937372 DFVALRFQGXNFLD-SNVBAGLBSA-N 231.299 2.673 30 20 BFED C#CCN(CC)C(=O)[C@H]1CCCC(C)(C)C1 490871633 BPCGXWJIUZYCRR-LBPRGKRZSA-N 221.344 2.685 30 20 BFED C#C[C@@H](C)N(C)C(=O)NC1CCCCCCC1 491523671 GLFSRPLZHPALCF-GFCCVEGCSA-N 236.359 2.762 30 20 BFED C[C@@H](CSCCC#N)NC(=O)OC(C)(C)C 496301223 FPNAKXSOADPLOI-VIFPVBQESA-N 244.360 2.546 30 20 BFED C[C@H]1CC(F)(F)CCN1CCCCC#N 528769135 QWSWAYWVHZGMBF-JTQLQIEISA-N 216.275 2.800 30 20 BFED CCCN(C)C(=O)c1ccc(Cl)c(C#N)c1 537582160 XOZAUDXSACSLEH-UHFFFAOYSA-N 236.702 2.694 30 20 BFED 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COC1CCC(N(C)C[C@@H](C)CCC#N)CC1 585727593 AKUNDMPZSKQNQX-HSBZDZAISA-N 238.375 2.816 30 20 BFED CCn1cc(/C=C\C(=O)c2sccc2O)cn1 588598775 ATIBQXOABBWLTR-ARJAWSKDSA-N 248.307 2.566 30 20 BFED CCNc1cc(C)ccc1NC(=O)[C@H](C#N)CC 593644586 CDTUJHMQZLFDOY-NSHDSACASA-N 245.326 2.915 30 20 BFED C=CCC1(C(=O)N(C)[C@@H](C#N)CC)CCCC1 594082991 GEDTXBOTCYZEGK-GFCCVEGCSA-N 234.343 2.883 30 20 BFED CCC[C@@H](N=c1cc[nH]c(C#N)n1)C1CCCC1 594585118 NIRWQSHFXYJWQN-GFCCVEGCSA-N 244.342 2.541 30 20 BFED C=CCCSCCNC(=O)NC(CC)CC 595428503 YBGWZPOATLFARW-UHFFFAOYSA-N 244.404 2.784 30 20 BFED N#Cc1c(C2CC2)[nH][nH]c1=NCCCC1CCC1 596271784 IDDOJGYMZXTBKL-UHFFFAOYSA-N 244.342 2.573 30 20 BFED C[C@@H](C#N)N(C(=O)c1ccccc1Cl)C1CC1 598124701 UCGMEQSWRKFXRL-VIFPVBQESA-N 248.713 2.857 30 20 BFED CC[C@H](C#N)C(=O)N1CC[C@H](C2CCCCC2)C1 598152964 JZBHKQKIMQCUEB-OCCSQVGLSA-N 248.370 2.965 30 20 BFED CCC(C#N)(CC)C(=O)NCCc1ccc(C)o1 599063818 IUBVWCYTOCLGFE-UHFFFAOYSA-N 248.326 2.577 30 20 BFED N#C[C@H]1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 600813370 NJELXZNGKMBGKV-WCQYABFASA-N 238.294 2.810 30 20 BFED C[C@@H](CCC#N)CN1CCC[C@@H](c2cc[nH]n2)C1 602450577 BIQZVVLLKPLSDC-QWHCGFSZSA-N 246.358 2.529 30 20 BFED CC(C)(C)[C@H]1CCCN1Cc1cccc(C#N)n1 602459824 UXYTUZOJBHZQHP-CQSZACIVSA-N 243.354 2.964 30 20 BFED CC[C@H](C)[C@@H](CNC[C@H](C)CCC#N)OC 602674388 PDPZZGAEWJAEEN-FRRDWIJNSA-N 226.364 2.577 30 20 BFED Cc1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)cc1 612252570 YNVHDJNFYJKVBC-HNNXBMFYSA-N 242.322 2.761 30 20 BFED C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCS2)C1 617782736 LPDWVSVFQTYABH-VXGBXAGGSA-N 239.384 2.697 30 20 BFED C=CCC1(NC(=O)[C@H]2C[C@@H]2C)CCCC1 619106600 RLXMIAFLTURNCX-QWRGUYRKSA-N 207.317 2.648 30 20 BFED C=CCC[C@H](CO)NCc1cscc1Cl 648821145 MKCHOCPFTYXONP-SNVBAGLBSA-N 245.775 2.818 30 20 BFED C=CCCn1cc(CN[C@@H](CC)CCC)nn1 657350022 XSSJRCDMATXWRM-LBPRGKRZSA-N 236.363 2.523 30 20 BFED CC#CCNC(=O)c1oc2c(F)cccc2c1C 677813356 OHKXAIQWYHQORU-UHFFFAOYSA-N 245.253 2.633 30 20 BFED C=CCCCn1c(=O)oc2ccc(F)cc21 683894245 ZHJYJVRXCWSGEA-UHFFFAOYSA-N 221.231 2.700 30 20 BFED C=CCC1(C(=O)N2CC(C)(C)C2)CCC1 684079653 WCDYKUQUEYQUGM-UHFFFAOYSA-N 207.317 2.601 30 20 BFED C[C@@H](CC(C)(C)C#N)NCC1CC(F)(F)C1 695833897 ABABCUYTXJZPNJ-VIFPVBQESA-N 230.302 2.950 30 20 BFED CCCCCCCCNC[C@@](C)(O)C(F)F 698555965 HRVHZUAJKMVALP-GFCCVEGCSA-N 237.334 2.953 30 20 BFED C=CC[C@@H]1CCCN(C(=O)c2cccnc2F)C1 703678158 NXUYRHKIQSWZPK-LLVKDONJSA-N 248.301 2.649 30 20 BFED C=C(Cl)CNCc1ccc2c(c1)C[C@H](C)O2 720782359 XUAIFNBSZZMBDC-JTQLQIEISA-N 237.730 2.852 30 20 BFED C=CCCC(=O)OCc1cc(F)ccc1F 726651093 WSIMSIMAGCGBJF-UHFFFAOYSA-N 226.222 2.974 30 20 BFED C/C=C/COC(=O)CSc1ccc(C#N)cc1 728679884 JTDDXKGPLXPFMS-NSCUHMNNSA-N 247.319 2.770 30 20 BFED C#CCOC(=O)c1cc2cccc(Cl)c2o1 753516371 MFSBUGTXAAKTTC-UHFFFAOYSA-N 234.638 2.876 30 20 BFED CC(=NN=c1cc[nH]cc1Cl)c1ccccc1 756838325 KVTNPSOEELZWID-UHFFFAOYSA-N 245.713 2.993 30 20 BFED CC[C@H](C#N)OC(=O)c1ccc(F)c(F)c1F 759864168 HRVXXKUCZIWMSH-ZCFIWIBFSA-N 243.184 2.563 30 20 BFED CC[C@H](C)CON=Cc1ccccc1[N+](=O)[O-] 764535406 NMRRQLZNKZJDCT-JTQLQIEISA-N 236.271 2.991 30 20 BFED CCC/C=C\C(=O)N1CCCC(C)(C)[C@H]1C#N 765775734 QXGBFLXECFTVHC-XYLWRLHESA-N 234.343 2.883 30 20 BFED N#CCN1CCC(NC2CCCCCCC2)CC1 765854941 BOKVVUPOQKCRLE-UHFFFAOYSA-N 249.402 2.677 30 20 BFED C[C@H](C#N)OC(=O)C1CCC(C(F)(F)F)CC1 769437703 BBCYZQZKTBHPHA-AFPNSQJFSA-N 249.232 2.810 30 20 BFED N#CC1(C(=O)NOc2ccccc2)CCCCC1 773459554 APSKVGXWVUHGOD-UHFFFAOYSA-N 244.294 2.571 30 20 BFED N#CCC1(COC(=O)c2ccoc2Cl)CC1 774113062 ATHAMJRZPMJVLT-UHFFFAOYSA-N 239.658 2.784 30 20 BFED Cc1csc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)n1 774593961 VRNRUEONVBEIPL-DCAQKATOSA-N 235.356 2.564 30 20 BFED C=C(C)CN(C)C(=O)c1cccc(Cl)c1O 778456829 WXKYJDNVHAPZOF-UHFFFAOYSA-N 239.702 2.694 30 20 BFED CCCCCC1=CCCC1=NNC1=NC[C@H](C)N1 779798981 ISZMOVZLKYSGQC-NSHDSACASA-N 248.374 2.580 30 20 BFED CCC1CCC(=NN=c2cc[nH]cc2)CC1 779808127 CSQVSHMOFNLLLD-UHFFFAOYSA-N 217.316 2.872 30 20 BFED 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CCC1CCN(C(=O)C2(C#N)CC(C)C2)CC1 122356251 LEHDCKDNUDBGAR-UHFFFAOYSA-N 234.343 2.575 30 20 BFED C=C(C)CNC(=O)c1cc(Cl)ccc1C 122996647 OUPUOCSMZIRWFU-UHFFFAOYSA-N 223.703 2.954 30 20 BFED CN(Cc1ccsc1)C[C@@H](C#N)CCC#N 125018042 OJNGFDGTLJABAC-LLVKDONJSA-N 233.340 2.623 30 20 BFED CC[C@H](C#N)SC(=S)N(CC)CC 127061324 MYTMGJGHVKWDED-MRVPVSSYSA-N 216.375 2.648 30 20 BFED C=CCSCCN[C@H](C)c1cccnc1 129350944 XLIJIZSBQSQKIK-LLVKDONJSA-N 222.357 2.651 30 20 BFED CCCCCCC[C@H](C)CNC(=O)[C@H](N)CC 129457166 GHCNMZUBMREGEG-QWHCGFSZSA-N 242.407 2.837 30 20 BFED CS[C@H](C)CC(=O)Nc1sccc1C#N 130025379 XYLZANCMNBKBGT-SSDOTTSWSA-N 240.353 2.700 30 20 BFED C[C@H]1CC[C@H](NCc2cccc(OCC#N)c2)C1 135184571 VTVLXNGOWLXFPW-JSGCOSHPSA-N 244.338 2.867 30 20 BFED CC#CCCOc1ccc(C)c([N+](=O)[O-])c1 154897715 DJKNRACWCYDLLM-UHFFFAOYSA-N 219.240 2.695 30 20 BFED C=CCN(C)C(=O)Nc1cc(C)ccc1F 156156577 WEXJSVWCHPUMFV-UHFFFAOYSA-N 222.263 2.784 30 20 BFED C=C[C@@H](C)N[C@H](C)c1sc(C)nc1C 157258647 HSCQUYDLTKJATF-HTQZYQBOSA-N 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30 20 BFED C[C@@H](CCc1cccc(F)c1)NC[C@@H](C)C#N 183838117 QWMQZXJXAJCVGI-RYUDHWBXSA-N 234.318 2.896 30 20 BFED C#CCC(C)(C)C(=O)Nc1ccc2[nH]ncc2c1 185212033 BMKKLRUMZAHPGQ-UHFFFAOYSA-N 241.294 2.551 30 20 BFED C#CCCCC(=O)N[C@@H](C)CCCC=C 190602723 KAFPFISFTGBMMT-LBPRGKRZSA-N 207.317 2.651 30 20 BFED C#CCCCC(=O)NC1(c2cccc(F)c2)CC1 192342502 FURMCVVAEJZTEB-UHFFFAOYSA-N 245.297 2.735 30 20 BFED C#CCOc1ccccc1CNC[C@H]1CC1(C)C 226256255 GKRTYWMUCOZMLR-CQSZACIVSA-N 243.350 2.834 30 20 BFED CCC[C@@H]1C[C@H]1Nc1ccc(C#N)nc1 226804878 QNGIUNSFLWIWIN-BXKDBHETSA-N 201.273 2.554 30 20 BFED CC1(C)CCC[C@H](Nc2nccc(C#N)n2)C1 231904166 AYMCTHJVAYZVOW-JTQLQIEISA-N 230.315 2.729 30 20 BFED C#C[C@H](CCC)NC(=O)c1ccc(C)c(F)c1 233358060 QVFJNDKBNKHTQS-GFCCVEGCSA-N 233.286 2.666 30 20 BFED CC[C@H](CC#N)NC[C@H]1C[C@H]2CC[C@H]1C2 251335040 JGUOSBDOXKLJOQ-WUHRBBMRSA-N 206.333 2.704 30 20 BFED C/C(=C/c1ccccc1Cl)C(=O)N(C)CC#N 255772774 OLPZNJSXTPWXJR-KTKRTIGZSA-N 248.713 2.725 30 20 BFED C=CCCCCCN(C)C(=O)[C@@H](C)n1cccn1 265746175 XIXZTBXZDRKPFE-CYBMUJFWSA-N 249.358 2.649 30 20 BFED C[C@H]1CCN(c2ccc(F)cc2C#N)[C@@H]1C 267606663 GCXQQHRVCWRZNI-VHSXEESVSA-N 218.275 2.932 30 20 BFED C=C(Cl)CNC(=O)c1ccc(C(C)C)nc1 269401586 ODFRSUBVOAKLQK-UHFFFAOYSA-N 238.718 2.687 30 20 BFED C=C(C)CN(CC)Cc1cc(OC)cc(C)n1 270301378 ONPJOYSMFUGLBG-UHFFFAOYSA-N 234.343 2.797 30 20 BFED C=CCCCCNC(=O)c1cc(C#N)cs1 274659030 VERCQLIAIJUGPB-UHFFFAOYSA-N 234.324 2.706 30 20 BFED CC[C@@H](CN(CC)C(=O)CC#N)c1ccccc1 274900825 GXXOALKIOXNSPL-ZDUSSCGKSA-N 244.338 2.942 30 20 BFED N#Cc1ccn(CCc2ccc3c(c2)CCO3)c1 275773099 WHRWZCLMUGCAFH-UHFFFAOYSA-N 238.290 2.537 30 20 BFED C=CCN(C)c1nnc(-c2ccccc2)n1CC 283355057 CSLHENHRBKCBOI-UHFFFAOYSA-N 242.326 2.587 30 20 BFED C[C@@H]1COCC[C@@H]1CNc1ccc(C#N)cc1 286299338 IDGUNBRXEMZEQT-DGCLKSJQSA-N 230.311 2.643 30 20 BFED C#C[C@H](NCc1cn(C(C)C)nc1C)C(C)C 289573506 SRVCFFHJGCJTEV-AWEZNQCLSA-N 233.359 2.520 30 20 BFED CCN(C(=O)CCCC#N)c1cccc(OC)c1 291137852 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30 20 BFED CC[C@@H](NC(=O)N1CCC[C@](C)(C#N)C1)C1CC1 595791149 ZUGSOMVPQOADGJ-TZMCWYRMSA-N 249.358 2.510 30 20 BFED N#Cc1ccc(CN2CC[C@H]3C[C@H]3C2)c(F)c1 595806695 FEFUSIFMRYFHOI-AAEUAGOBSA-N 230.286 2.539 30 20 BFED CCC[C@@]1(C)CCCN(c2cc(C#N)cnn2)C1 596145664 VSXBTTQTPGGXOG-AWEZNQCLSA-N 244.342 2.755 30 20 BFED C=CCCCNc1nc(C#N)ccc1C 596215880 FKOQDXGENKWLOS-UHFFFAOYSA-N 201.273 2.640 30 20 BFED C=CCCC(C)(C)NC(=O)NC[C@@H](C)SC 596503348 PTUJUPZXCZKJHO-SNVBAGLBSA-N 244.404 2.782 30 20 BFED CC1(C)C[C@@]1(C)NC(=O)c1ccc(C#N)s1 598384829 GCZUYSYWBQGNIG-GFCCVEGCSA-N 234.324 2.538 30 20 BFED N#Cc1n[nH]cc1NC(=O)CCC1CCCCC1 602361052 CBLUBIHMYNIUPK-UHFFFAOYSA-N 246.314 2.580 30 20 BFED C[C@@H](CCC#N)CNCc1ccc(C#N)cc1F 602537195 ASHQSYNOTHFFLQ-NSHDSACASA-N 245.301 2.727 30 20 BFED CC[C@H](CC#N)NC(=O)Nc1csc(C)c1 603148996 JJUBXIQOEUXXRQ-SECBINFHSA-N 237.328 2.870 30 20 BFED C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CC23CCC3)C1 610739411 MYXJLUDUQOVIBT-JMSVASOKSA-N 246.354 2.765 30 20 BFED 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CC[C@@H]1C[C@H]1NC(=O)Nc1ccc(F)c(C#N)c1 280934326 FRAXXYDLUMYJNH-PRHODGIISA-N 247.273 2.617 30 20 BFED C=CCCCSCc1ccc(OC)nn1 282564559 JZKMWOCPHDWACJ-UHFFFAOYSA-N 224.329 2.685 30 20 BFED C=CC[C@H](CC)NC(=O)NOC1CCCC1 282695921 RWFONFYJMMMPFO-JTQLQIEISA-N 226.320 2.515 30 20 BFED CC#CC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C 283415181 CHGWBBDLOAZORZ-HIFRSBDPSA-N 241.334 2.723 30 20 BFED C=CCCC(=O)N1CCC=C(c2ccncc2)C1 286150885 FVTSMGDOVDXIRI-UHFFFAOYSA-N 242.322 2.664 30 20 BFED Cc1csc(NC(=O)[C@@H](C)C2CC2)c1C#N 288867839 QJYKWMHEGSLASW-QMMMGPOBSA-N 234.324 2.913 30 20 BFED C=CCN(C)C(=O)c1ncsc1C(C)C 290817422 VKNPAOYKRXNDGJ-UHFFFAOYSA-N 224.329 2.525 30 20 BFED C=CCC(C)(C)C(=O)N[C@@H](C)c1ccccn1 292396977 XWJCJAIAAVAFBR-NSHDSACASA-N 232.327 2.861 30 20 BFED C[C@@H](CC#N)NC(=O)c1cc(F)ccc1Cl 292732776 QBHGKBAGCBSXHR-ZETCQYMHSA-N 240.665 2.511 30 20 BFED C=CCN(CCC#N)C[C@H]1CC=CCC1 292763066 JQYZEQRFRDRCIV-ZDUSSCGKSA-N 204.317 2.744 30 20 BFED C=CCC(C)(C)CNC(=O)c1cc(C#N)oc1C 294378222 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CCSc1ccc(C(=O)N[C@@H](C#N)CC)cc1 355673209 AEANEHYDJCTQBZ-LLVKDONJSA-N 248.351 2.831 30 20 BFED CC[C@](C)(C#N)C(=O)N1CC[C@H](CC2CC2)C1 359739205 YVPZTSBIYXAPEC-TZMCWYRMSA-N 234.343 2.575 30 20 BFED C=CC[C@H](C)NC(=O)c1ccnn1C1CCCC1 360980959 DYHJRHLCFZOJAX-NSHDSACASA-N 247.342 2.693 30 20 BFED C=C[C@@H](C)NC(=O)[C@@H](CC)Oc1cccc(C)c1 362592401 NUVWUVJEKXHISK-TZMCWYRMSA-N 247.338 2.843 30 20 BFED C=C[C@@H](C)NC(=O)C1(c2cccc(C)c2)CC1 362601584 QEYCZEVVYOGSMP-GFCCVEGCSA-N 229.323 2.717 30 20 BFED C=CCOCCCC(=O)N1C[C@H](C)C[C@H]1CC 362707027 KXNXGGCELMXHGK-CHWSQXEVSA-N 239.359 2.616 30 20 BFED C#CCCN1CCC2(CC1)OCc1ccccc12 367006468 CVSNSXMFAZQCNX-UHFFFAOYSA-N 241.334 2.531 30 20 BFED N#CCCN1CCC[C@H]1COc1ccc(F)cc1 374622939 UYJRGZDLSMBCMP-ZDUSSCGKSA-N 248.301 2.583 30 20 BFED CCCCNN=C(C)c1cc(N)ccc1F 378860427 OYDSHNPBQHSJLH-UHFFFAOYSA-N 223.295 2.522 30 20 BFED C#C[C@](C)(CC)NC(=O)c1cscc1C 384184706 RUGKQBGJYRGMNG-GFCCVEGCSA-N 221.325 2.588 30 20 BFED 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2.657 30 20 BFED C[C@H](C#N)CN(C)[C@H](C)c1nc2ccccc2o1 272329604 RJYXOFFQMICVEC-GHMZBOCLSA-N 243.310 2.980 30 20 BFED C=CCCCCCN(C)C(=O)Cc1ccncc1 272438196 UIHWJXXRUGKBJK-UHFFFAOYSA-N 246.354 2.829 30 20 BFED CCCCCCn1ncc(C(=O)OCC)c1C#N 273477023 LMWLRYFMHKXVNK-UHFFFAOYSA-N 249.314 2.512 30 20 BFED C=CCC(CC=C)c1nc(Cc2ccon2)no1 273928195 NXNICEQWPNLGJI-UHFFFAOYSA-N 245.282 2.884 30 20 BFED C=CCCCCNC(=O)OCC(F)(F)F 274629450 YZJMSHVABLUTBZ-UHFFFAOYSA-N 225.210 2.631 30 20 BFED C=CCN1CC[C@H](SCC(C)(C)C)C1=O 281524455 VAFSSUBXYGJYKQ-JTQLQIEISA-N 227.373 2.553 30 20 BFED CNc1ccc(C#N)cc1NC(=O)C1(C)CCC1 285991365 PSAJHEAUSHIIBN-UHFFFAOYSA-N 243.310 2.729 30 20 BFED C#CCN(Cc1ccccc1)C(=O)[C@H](C)C(C)C 286613253 UBEBAEVYPPXTAW-CQSZACIVSA-N 243.350 2.941 30 20 BFED N#C[C@@H]1CC[C@H](Sc2nccn3ccnc23)C1 287431485 DTPIAJZFQLUUEC-ZJUUUORDSA-N 244.323 2.514 30 20 BFED C=CCCCCCSCc1cnnn1C 290787114 NUVIDTYJDRIIFO-UHFFFAOYSA-N 225.361 2.795 30 20 BFED C#CCONC(=O)c1ccc(C2=CCCC2)cc1 291236765 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C#C[C@@H](N[C@H]1CCc2ccccc2C1)C(C)C 305937193 KXMURFCJZONHEH-JKSUJKDBSA-N 227.351 2.791 30 20 BFED C#C[C@@H](C)NCc1cc(C)cc(Cl)c1 306581745 PUEAJKTZKLYZMY-SNVBAGLBSA-N 207.704 2.760 30 20 BFED CCO/C=C1/C(=O)c2ccccc2[C@@H]1C 309025497 XTNRPFCNZQOSDC-KWINOFQJSA-N 202.253 2.907 30 20 BFED C#Cc1ccc(CNC[C@H](C)C2CC2)cc1 309314304 CPKDGWKPDRVUSH-LBPRGKRZSA-N 213.324 2.804 30 20 BFED C=C[C@H](COC)N[C@H](C)c1ccc(F)cc1 309439989 IFRRWISDDARUSH-ZWNOBZJWSA-N 223.291 2.677 30 20 BFED C=CCSCCN[C@H]1CCC[C@@H]1COCC 309469015 QGCTUVPNXHCCLZ-OLZOCXBDSA-N 243.416 2.700 30 20 BFED C=CCOCCCN[C@H]1CCC[C@H]1SCC 309493232 XSTVKFWJJNWRJC-QWHCGFSZSA-N 243.416 2.843 30 20 BFED C=C(CC)CNc1ccc(C#N)cc1[N+](=O)[O-] 313481503 LYICZCQVAPRWRC-UHFFFAOYSA-N 231.255 2.845 30 20 BFED C=C(CC)CNc1ccc(C(F)(F)F)nn1 313503650 VFFLOECMJLMYLB-UHFFFAOYSA-N 231.221 2.874 30 20 BFED C=CCC[C@H](CO)N[C@@H]1CCCCC1(C)C 320819314 YEWVPJBDUGNGLQ-CHWSQXEVSA-N 225.376 2.872 30 20 BFED C=CCn1cccc1C(=O)N1C[C@H](C)C[C@@H]1C 335337738 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228.295 2.851 30 20 BFED COCC[C@H](C)Nc1ccccc1O[C@@H](C)C#N 182250370 OVWHHEKANKLJEV-RYUDHWBXSA-N 248.326 2.814 30 20 BFED COCCC(C)(C)C(=O)Nc1cccc(C#N)c1 183692532 ZHADYOPVKFJPRI-UHFFFAOYSA-N 246.310 2.559 30 20 BFED C=C(C)[C@@H](NCCOC)c1ccc(F)c(F)c1 187763843 JOKMUZDQUJWAOI-CYBMUJFWSA-N 241.281 2.818 30 20 BFED C=CCCOC(=O)c1cccc(NC(C)=O)c1C 189435026 WDIFGLCXLFLIJU-UHFFFAOYSA-N 247.294 2.686 30 20 BFED C=C[C@](C)(CC)C(=O)NCCc1ccccc1 189749058 JBVNZTWUPRYVGH-OAHLLOKOSA-N 231.339 2.948 30 20 BFED C=CCN(CCOC)CCOc1cccc(C)c1 191084638 CNTJTFPXIVWNPT-UHFFFAOYSA-N 249.354 2.508 30 20 BFED CCCC(=O)N(Cc1ccc(C#N)cc1)C1CC1 193049702 FHECDRNURZNGHL-UHFFFAOYSA-N 242.322 2.849 30 20 BFED Cc1cc(C)c(C#N)c(SC[C@H]2CCOC2)n1 193213424 NBAUZNRZMSSEBS-NSHDSACASA-N 248.351 2.699 30 20 BFED CC(C)Oc1ccccc1NC(=O)[C@@H](C)C#N 222792354 RXXJFRNZWICTCX-JTQLQIEISA-N 232.283 2.572 30 20 BFED C#C[C@@H](CCC)Nc1ncnc2sccc12 233297508 XXJPXIXAOIRFOB-VIFPVBQESA-N 231.324 2.905 30 20 BFED C[C@H](C#N)CNC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 248451394 PIRFVNKTXYEWJS-FDYHWXHSSA-N 249.358 2.509 30 20 BFED CC(C)CN(CCC#N)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 250590585 KKFCQKIRAWCGNC-MELADBBJSA-N 248.370 2.821 30 20 BFED C=C(C)CNC(=O)N[C@@H]1[C@@H](C)CCC[C@H]1C 251718207 LFYZVFAHYCTQHC-GDNZZTSVSA-N 224.348 2.686 30 20 BFED O=C(/C=C\c1c(F)cccc1F)c1cnccn1 255561230 YFYUCWSYEYYXLW-PLNGDYQASA-N 246.216 2.651 30 20 BFED C=CCN(C(=O)c1cc(F)ccc1C)C1CC1 272149152 WWILXKWOMVXWOB-UHFFFAOYSA-N 233.286 2.925 30 20 BFED C=CCCN(C)C(=O)c1cccc(C)c1[N+](=O)[O-] 276143435 NUJYOSOQBIRVOE-UHFFFAOYSA-N 248.282 2.551 30 20 BFED CCc1nc(CSCCC(C)(C)C#N)no1 276621052 OAQGCEBXBHBVKJ-UHFFFAOYSA-N 239.344 2.805 30 20 BFED Cc1cccc2c1CN(c1ncccc1C#N)CC2 277281192 YVSBGPXXLCJQBZ-UHFFFAOYSA-N 249.317 2.824 30 20 BFED CCCCCCNC(=O)c1cc(C#N)oc1C 280507608 DLGOLUBGHIPZPR-UHFFFAOYSA-N 234.299 2.770 30 20 BFED N#C[C@@H]1CC[C@@H](Sc2nccn3ccnc23)C1 287431470 DTPIAJZFQLUUEC-NXEZZACHSA-N 244.323 2.514 30 20 BFED 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CXVYRAXVUKPVNF-ZYHUDNBSSA-N 207.342 2.579 30 20 BFED CCc1nc(C#N)cc(N[C@H]2CCC[C@H]2CC)n1 308172558 VBHQDSUOHYXPKD-PWSUYJOCSA-N 244.342 2.901 30 20 BFED C=C(C)COC(=O)c1cc(Br)c[nH]1 308327591 HUOVYVSFGMHPOK-UHFFFAOYSA-N 244.088 2.510 30 20 BFED CC1(C)CC[C@@H]1NC(=O)C1(C#N)CCCCC1 310307357 SCMNZQFMLGFHSS-NSHDSACASA-N 234.343 2.765 30 20 BFED C=CCC(C)(C)CNC(=O)NC1CCCC1 310553935 HGUQMYHCUNOHFI-UHFFFAOYSA-N 224.348 2.831 30 20 BFED C=C(CC)CNCc1ncc(Cl)s1 313480132 IHLBYQFWQKBTCQ-UHFFFAOYSA-N 216.737 2.852 30 20 BFED Cc1cnc(C/N=C(/O)[C@H]2CCCSC2)o1 329449378 CGRJNSYZVOXGQE-VIFPVBQESA-N 240.328 2.583 30 20 BFED C[C@@H]1CC[C@H](C(O)=Nc2cccc3ocnc23)O1 330084854 LGTKCMVLBGCXLN-LDYMZIIASA-N 246.266 2.983 30 20 BFED Cc1nc(N2CC3(CCCC3)C2)ccc1C#N 334856923 OJOHEIKSOTXYKC-UHFFFAOYSA-N 227.311 2.642 30 20 BFED Cc1cc(C)c(C#N)c(SCn2cccn2)n1 335702522 MLTILTWERKWQRK-UHFFFAOYSA-N 244.323 2.516 30 20 BFED COc1cccc([C@@H]2C[C@@H](C)CN2CC#N)c1 335795501 YILYRKVKQFMRGQ-RISCZKNCSA-N 230.311 2.602 30 20 BFED CC#CCN(C)C(=O)c1cc2ccccc2o1 335984940 LWUYHRGNBVVTMV-UHFFFAOYSA-N 227.263 2.528 30 20 BFED C[C@H]1C[C@]1(C#N)C(=O)N1CCCCC(C)(C)C1 336276761 CZWXJHIUXBBBAF-SMDDNHRTSA-N 234.343 2.575 30 20 BFED N#Cc1ccc2c(c1)[C@@H](NCc1ccoc1)CC2 336415925 JKSUIDVORYDMGM-HNNXBMFYSA-N 238.290 2.928 30 20 BFED C=C[C@@](C)(CC)C(=O)N1CC[C@@](C)(F)C1 336422057 AOEOSSRUMJXEEI-NWDGAFQWSA-N 213.296 2.549 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@@H]1CCC(F)(F)C1 337100482 VKERCFVDGIGPQA-NXEZZACHSA-N 231.286 2.893 30 20 BFED C=CC[C@H](CC)NC(=O)[C@H](OC)[C@@H](C)CC 337103461 YBVHCWVWHGBHRL-SDDRHHMPSA-N 227.348 2.518 30 20 BFED N#Cc1cccc(CN2CC[C@@H](C3CC3)C2)c1F 341118124 GGSRYRCXXKTTJM-CYBMUJFWSA-N 244.313 2.929 30 20 BFED C=CCN(CC=C)c1cc(C)nc(CC)n1 341275553 DQNCSTHNCFTFMC-UHFFFAOYSA-N 217.316 2.526 30 20 BFED CC[C@@](C)(C#N)c1nc(CCc2ccco2)no1 346765760 OFZKPYHHOVSEEZ-ZDUSSCGKSA-N 245.282 2.639 30 20 BFED CC(C)[C@@H](C#N)NC(=O)C[C@@H]1CCC[C@@H](C)C1 347285368 CODMXUHIXNJCNH-JHJVBQTASA-N 236.359 2.867 30 20 BFED C=CCN(Cc1cc(C#N)cs1)C1CC1 350317563 MCOXLRSQHHVXRM-UHFFFAOYSA-N 218.325 2.770 30 20 BFED C=C(C)CCc1noc(C23CCCN2CCC3)n1 351210649 AENRCUAEPJLOHD-UHFFFAOYSA-N 247.342 2.663 30 20 BFED CSC[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 353274370 OYLTUNPCKQGLNJ-IINYFYTJSA-N 246.379 2.887 30 20 BFED C=C[C@H](CO)N[C@H](C)c1cc(C)c(C)cc1C 353568863 PWOSHLGTZWSEII-ZIAGYGMSSA-N 233.355 2.809 30 20 BFED C=CC[C@H](C)NC(=O)[C@H](C)c1cccc(C#N)c1 360261790 OHWOBAYVDJRSQZ-NWDGAFQWSA-N 242.322 2.743 30 20 BFED C=C(Cl)CN1CC[C@H](c2ccco2)C1 363088314 WVZIFEHBRPZNKE-JTQLQIEISA-N 211.692 2.821 30 20 BFED C=CCCCC(=O)NCC1(N)CCCCCC1 364879107 TXIVOGYOPLSMSR-UHFFFAOYSA-N 238.375 2.511 30 20 BFED N#CCCCCN1CC2(CCC2)[C@H]1[C@H]1CCCO1 377729763 YVRQFDQAMZYBNW-ZIAGYGMSSA-N 248.370 2.714 30 20 BFED CC(=NNCC(C)C)c1ccc(Cl)c(N)c1 378862247 SOJPDKBGTAAUGI-UHFFFAOYSA-N 239.750 2.892 30 20 BFED C=CC[C@@H](CO)CNC(CCC)CCC 380167651 FOSRVOORYAXVRY-GFCCVEGCSA-N 213.365 2.729 30 20 BFED C=CCCOC(=O)c1c(N)cccc1Cl 380274459 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236.359 2.869 30 20 BFED CCC[C@H](CC)SC[C@H](O)CC#N 450945975 XNLMFSQMMIHRPI-ZJUUUORDSA-N 201.335 2.573 30 20 BFED C=C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[C@H]2C[C@@H]12 451250877 UGIGOWMVQXWWTP-IGQOVBAYSA-N 233.355 2.990 30 20 BFED C=CC(C)(C)C(=O)N1CCC[C@H](CSC)C1 452156001 CJAHVFZVVRNLGO-NSHDSACASA-N 241.400 2.800 30 20 BFED C=C(CC)CN[C@@H](C)c1cc(C(=O)OC)co1 453377075 VEDOKCFYJCCWTF-JTQLQIEISA-N 237.299 2.683 30 20 BFED C=CCC[C@H](NC[C@H]1CC[C@H](C)O1)C1CC1 453408279 MZVUHWRCWVMHPG-YUTCNCBUSA-N 223.360 2.888 30 20 BFED C=C(CC)CNC(=O)Nc1cc(C#N)ccc1C 454632939 ATQLWCBRFQFTQI-UHFFFAOYSA-N 243.310 2.954 30 20 BFED C=C(C)CCNC(=O)N(CC)Cc1ccccn1 455316854 WHCBRYBYOGNSCL-UHFFFAOYSA-N 247.342 2.579 30 20 BFED C=C(CC)CNC(=O)COC1CCC(C)CC1 456815958 ZUXUQPUORSRSRT-UHFFFAOYSA-N 239.359 2.664 30 20 BFED C=C(CC)CNC(=O)c1csc(C(C)C)n1 456825120 GQAIBJDOMQFTAR-UHFFFAOYSA-N 238.356 2.963 30 20 BFED CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1ccc(C#N)o1 457246420 VYLRSTGERKVMRM-OCCSQVGLSA-N 246.310 2.706 30 20 BFED 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C#CCCCC(=O)Nc1cccc2c1ccn2C 757916136 RMIXQMQNJKSMJL-UHFFFAOYSA-N 240.306 2.920 30 20 BFED C=CCNC(=S)NCC1(CCC)CCC1 758443055 JTZAFNXBVVPZGQ-UHFFFAOYSA-N 226.389 2.607 30 20 BFED C[C@@H]1CCCC1=NNc1ncccc1[N+](=O)[O-] 759204993 JZBCWIWHXWBJEY-MRVPVSSYSA-N 234.259 2.578 30 20 BFED CCc1ccc(C=NNc2cc(C)nc(C)n2)o1 760244609 ZTAWACLRUMGSKS-UHFFFAOYSA-N 244.298 2.695 30 20 BFED C#CCCc1noc(-c2cnc(C(C)C)s2)n1 762010841 ASDWFNKGMNXWGR-UHFFFAOYSA-N 247.323 2.882 30 20 BFED C[C@H](C#N)CNN=C1CC[C@@H](C)[C@H](C)C1 767387364 HUFUDJPLQHQPLL-GMTAPVOTSA-N 207.321 2.548 30 20 BFED C#C[C@H](C)N(C)c1nc(-c2ccccc2)ns1 767441213 ZTJUPGRSCIAMFV-JTQLQIEISA-N 243.335 2.663 30 20 BFED C=C(CC)COC(=O)c1cccnc1C 773517946 UCZLZROEMXQTLB-UHFFFAOYSA-N 205.257 2.513 30 20 BFED C[C@H]1CCCC(=NOC2CCOCC2)[C@H]1C 774436585 WPTBPTJNUYEHMM-QWRGUYRKSA-N 225.332 2.994 30 20 BFED N#Cc1csc(C=NOC2CCCC2)c1 774603182 OHNTVCCOLJTEFV-UHFFFAOYSA-N 220.297 2.913 30 20 BFED C#C[C@H](N[C@@H](C)CC1CCCC1)[C@H]1CCCO1 775574503 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2.718 30 20 BFED Cc1cc(F)ccc1C=NOCCOC(C)C 812240126 JGNQJRHVYUHTJB-UHFFFAOYSA-N 239.290 2.910 30 20 BFED CC(=NOCCC1CC1)c1ccc(F)cn1 814246400 KUMJBKSKQXDZKM-UHFFFAOYSA-N 222.263 2.761 30 20 BFED C[C@@H]1C(=NNc2ccc(C(=O)O)cc2)C[C@H]1C 814680719 FYQZBMOBYLBASX-BDAKNGLRSA-N 232.283 2.829 30 20 BFED C[C@@H]1CCC(=NNc2cccc(F)n2)C1 814927863 KPGDFUXAICUWFR-MRVPVSSYSA-N 207.252 2.809 30 20 BFED c1cc2c(o1)CCCC2=NOC1CCC1 814936963 PIQBQOKRPNNKKQ-UHFFFAOYSA-N 205.257 2.889 30 20 BFED C=CCC(F)(F)C(=O)OCCC1(OC)CCC1 815312347 SXQWCFCEMJLALO-UHFFFAOYSA-N 248.269 2.700 30 20 BFED C#Cc1ccc(C(=O)O[C@@H]2CCC(C)(C)C2)nc1 820345038 HUXORQFJYPDJAQ-GFCCVEGCSA-N 243.306 2.798 30 20 BFED CC(C)C#CC(=O)N(C)C[C@@H](C)c1ccccc1 825628873 LVPKTIPPQBFECM-CQSZACIVSA-N 243.350 2.908 30 20 BFED C=C[C@@H](CC)CC(=O)N1CCC(SC)CC1 827814140 XCGALQLGZOZMTK-NSHDSACASA-N 241.400 2.943 30 20 BFED CC(C)C#CC(=O)N1C[C@@H](C)CCC[C@@H]1C 828642027 NHJOUVBZGHEBLX-STQMWFEESA-N 221.344 2.683 30 20 BFED 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30 20 BFED CCCCCCCNC(=O)c1cccn1C 862360132 AWKQHOOWAFNHNM-UHFFFAOYSA-N 222.332 2.725 30 20 BFED C=CC(C)(C)C(=O)Nc1cccc2nsnc12 876032140 CMNIHUWAXILAOG-UHFFFAOYSA-N 247.323 2.842 30 20 BFED C=CC(C)(C)CC(=O)Nc1cccc(O)c1 877997965 FDHHWCBVESKVGN-UHFFFAOYSA-N 219.284 2.933 30 20 BFED C=CC(C)(C)CC(=O)N(CCO)CCCCC 879304454 XNFCWJFMCHJWMG-UHFFFAOYSA-N 241.375 2.600 30 20 BFED C=CC[C@H](CC)NC(=O)c1cnc2cc[nH]c2c1 879856599 PVHHUKZFMMHJJN-NSHDSACASA-N 243.310 2.647 30 20 BFED C=C1CCC(C(=O)O[C@H]2CC[C@@H](OC)C2)CC1 890422034 POGOBHFEYHJQGP-OLZOCXBDSA-N 238.327 2.844 30 20 BFED CCC1(C(=O)Nc2cc(C#N)ccc2F)CC1 891453244 VAQKGVHGHITSNP-UHFFFAOYSA-N 232.258 2.826 30 20 BFED CCC(CC)C(=O)N[C@@H](C#N)C1CCCC1 893704293 JTLYCNFZLSCHAX-LBPRGKRZSA-N 222.332 2.621 30 20 BFED Cc1cc(F)ncc1CN1CCC[C@H](CC#N)C1 895314000 PRIIFHKGDJXPIG-GFCCVEGCSA-N 247.317 2.655 30 20 BFED CC#CCN(C)Cc1cnc(C(C)C)s1 897166848 DJPZMSJYVRMDBZ-UHFFFAOYSA-N 222.357 2.722 30 20 BFED C=CC[C@@H]1CCCN([C@@H](C(=O)O)[C@H](C)CC)C1 903603133 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C=CCC(C)(C)CNC(=O)[C@@H](C)n1cccc1 1261248785 UZMUSGIIZVCGJE-GFCCVEGCSA-N 234.343 2.768 30 20 BFED C#CCC[C@@H](C)OC(=O)c1cnn(CCC)c1C 1263511373 JEKGFZBZXBOLKX-LLVKDONJSA-N 248.326 2.560 30 20 BFED C#CCN(CC1CC1)C(=O)CCc1ccsc1 1319666117 CVJPPFARFOEAQW-UHFFFAOYSA-N 247.363 2.553 30 20 BFED Cn1ccc(NN=C2CC[C@@H]2c2ccccc2)n1 1321014251 ODNYGFPBWKSLAB-GFCCVEGCSA-N 240.310 2.766 30 20 BFED CC1=C(C)CN(C(=O)c2csc(C#N)c2)CC1 1324438374 NQXFKIGZJDMHLO-UHFFFAOYSA-N 246.335 2.802 30 20 BFED COC(=O)c1cccc(C=NOCCC2CC2)c1 1324883598 HDTIDTNRDZUQTH-UHFFFAOYSA-N 247.294 2.624 30 20 BFED C#CCCCC(=O)Nc1ccc(C(C)(C)C)nn1 1326342727 GJNGSPCICDQGII-UHFFFAOYSA-N 245.326 2.516 30 20 BFED C[C@@H](CC#N)Nc1cc(C2CC2)nc(C2CC2)n1 1336698490 SPMLOWNPWLHKSA-VIFPVBQESA-N 242.326 2.945 30 20 BFED CC[C@H](NC[C@H](C#N)CCC#N)c1ccccn1 1338549901 KMBWCSBDBLDXPE-STQMWFEESA-N 242.326 2.566 30 20 BFED C=CCN(c1nnc([C@@H]2C[C@@H]2C)n1CC)C1CC1 1341073166 XCRBQCFRRSQBNX-CMPLNLGQSA-N 246.358 2.576 30 20 BFED CC1(CCC(=O)[C@@H](C#N)c2cccc(F)n2)CC1 1342877850 DGYYVYBGQXUMHI-JTQLQIEISA-N 246.285 2.977 30 20 BFED C=C[C@H](CC)CC(=O)O[C@@H](C)C[C@H]1CCOC1 1343455956 GWMSBBIWOJVRMZ-YNEHKIRRSA-N 240.343 2.947 30 20 BFED C=CC[C@H](C(=O)OCC(C)(C)O)c1ccccc1 1345862458 QZMIZRGHFPVHHJ-ZDUSSCGKSA-N 248.322 2.660 30 20 BFED C=CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1346091008 QSTANJGFAOETFN-UHFFFAOYSA-N 244.294 2.860 30 20 BFED C=C[C@H](C(=O)N(C)[C@@H](C)CC#N)c1ccccc1 1346410128 IZMMPAHIAKVMIN-JSGCOSHPSA-N 242.322 2.717 30 20 BFED C=C[C@](C)(CC)c1nnc(-c2cccn2C)o1 1346652816 PEDQOTBWYVRTAG-CYBMUJFWSA-N 231.299 2.929 30 20 BFED C=C(CC)C(=O)N1CC=CC12CCCC2 1347139750 LYQNNKBBSLPVAS-UHFFFAOYSA-N 205.301 2.664 30 20 BFED C#Cc1ccc(N[C@H](C)CN(C)CCCC)nc1 1348184832 YRBRHSAEVYLSJR-CYBMUJFWSA-N 245.370 2.595 30 20 BFED C=CCCCOC(=O)c1ccnn1[C@@H](C)CC 1357831988 DHXJWMAQWFJODW-NSHDSACASA-N 236.315 2.977 30 20 BFED C=C(CC)C(=O)NC[C@]1(C)CC1(Cl)Cl 1520219553 ADMXJLSLPHLGAU-VIFPVBQESA-N 236.142 2.653 30 20 BFED C=C(CC)C(=O)N1CC(C2CCCCC2)C1 1528458995 YKCNXCCVODKICW-UHFFFAOYSA-N 221.344 2.991 30 20 BFED C=CC[C@@]1(C(=O)Oc2ccccc2C)CCCN1 1574897654 SFDMYUNCJSKIBO-HNNXBMFYSA-N 245.322 2.599 30 20 BFED C=CC[C@H](Nc1ccc(CC)c(OC)c1)C(=O)O 1588751619 PCASOSWHCDYABB-LBPRGKRZSA-N 249.310 2.699 30 20 BFED C=CC[C@@H]1CCN1Cc1ccc(C(=O)O)s1 1588772815 NNEAZRWAEJORAE-SECBINFHSA-N 237.324 2.597 30 20 BFED C=C1CC(N(C)Cc2ccc(C(=O)O)c(F)c2)C1 1776145195 IFHOIGSBJXIDBN-UHFFFAOYSA-N 249.285 2.674 30 20 BFED C=CCCCCN1C[C@H](C(=O)O)C2(CCC2)C1 1776173717 FWTOJQLSHGEBRZ-GFCCVEGCSA-N 237.343 2.529 30 20 BFED C=CCCCCCN1CCC[C@@H]2C[C@@]21C(=O)O 1776174380 BZOWRGRKMONTHT-OCCSQVGLSA-N 237.343 2.672 30 20 BFED CCC[C@H](C#N)NC(=O)c1ccc(CC)cc1 40352822 KETRFOKWBOSUKQ-CYBMUJFWSA-N 230.311 2.671 30 20 BFED C=C(C)CNc1ccc(C(=O)OCC)cc1 41570552 AHXFPQJWHMTMIK-UHFFFAOYSA-N 219.284 2.851 30 20 BFED CC(C)(C#N)C(=O)N[C@@H]1CCCc2ccccc21 42091439 GSNAZZMMZPLNGD-CYBMUJFWSA-N 242.322 2.730 30 20 BFED Cc1ccsc1C(=O)N(CCC#N)C(C)C 42530348 JUUSVNXJRFCFDA-UHFFFAOYSA-N 236.340 2.821 30 20 BFED CN(CC#N)Cc1ccccc1C(F)(F)F 43644136 NZSZOSJWNWTVRJ-UHFFFAOYSA-N 228.217 2.661 30 20 BFED C=C(C)CN(C)Cc1ccc(F)c(F)c1 44438541 MIYCMXOPXXUJBR-UHFFFAOYSA-N 211.255 2.973 30 20 BFED C[C@H]1CN(Cc2ccc(C#N)cc2)CC(C)(C)O1 44477844 FIFFHRFWIUAIMJ-LBPRGKRZSA-N 244.338 2.558 30 20 BFED CC(C)(C#N)C(=O)Nc1ccc2ccccc2n1 48936724 GOFIUOIBBICTAU-UHFFFAOYSA-N 239.278 2.723 30 20 BFED C[C@@H](c1ccccc1)N(C)C[C@@H](C)C#N 49812467 WMIGCLQSTFPNJD-RYUDHWBXSA-N 202.301 2.839 30 20 BFED N#CCCN1CCC[C@@H]1c1ccsc1 51373125 JINNJQYSUCNUJF-LLVKDONJSA-N 206.314 2.799 30 20 BFED CCCOc1ccc(NCCC#N)cc1 51786047 RGNTXBXGNVGZPY-UHFFFAOYSA-N 204.273 2.801 30 20 BFED N#Cc1ccccc1NCc1cncs1 54770009 WQOZRDDVDZNXQK-UHFFFAOYSA-N 215.281 2.627 30 20 BFED C=CCNC(=O)N[C@@H](CCC)Cc1ccccc1 69225604 ALMHNCFNNUQIRY-AWEZNQCLSA-N 246.354 2.883 30 20 BFED C=C(Cl)CNC(=O)N[C@@H]1CCCC[C@@H]1C 77541145 KZYUDAJJWDBWPZ-WCBMZHEXSA-N 230.739 2.617 30 20 BFED CCCC[C@H](CC)C(=O)N1CCC[C@@H](C#N)C1 79825416 NXZXJOWHKFRUGS-STQMWFEESA-N 236.359 2.965 30 20 BFED C[C@@H](Nc1ccc(F)cc1C#N)C1CC1 82516445 NPZWEABBHKJSGT-MRVPVSSYSA-N 204.248 2.908 30 20 BFED C[C@@H](C#N)CNC1CCC(C(F)(F)F)CC1 82862591 VFNXEBUFZJKQPC-IDKOKCKLSA-N 234.265 2.857 30 20 BFED CCO[C@H]1C[C@H](NCCC#N)C12CCCCC2 87295823 CFRTWISLIAOIFX-STQMWFEESA-N 236.359 2.618 30 20 BFED C=CCCOCCN[C@@H](C)c1ccc(OC)cc1 90883998 OOZSDNQCEOCAAT-ZDUSSCGKSA-N 249.354 2.939 30 20 BFED CC[C@H](CSC)N(C)CCCSCC#N 91097041 OAOTYODXCLRUKN-LLVKDONJSA-N 246.445 2.707 30 20 BFED C=CCCO[C@H](C)C(=O)N1[C@@H](C)CCC[C@H]1C 103365737 XGSJRQFPYAOMAZ-FRRDWIJNSA-N 239.359 2.757 30 20 BFED CCCCCCCN1CCC[C@H](NC)C1 107455464 MLJWAXAEWAUGJW-ZDUSSCGKSA-N 212.381 2.641 30 20 BFED N#Cc1cc(F)ccc1NCCN1CCCCC1 111026756 IXUFLOHGYDLJHI-UHFFFAOYSA-N 247.317 2.595 30 20 BFED C=CC[C@H](C)NC(=O)NCc1cccs1 116932993 VFCMYZFYRCSTIX-VIFPVBQESA-N 224.329 2.512 30 20 BFED C=CC[C@H](C)NC(=O)N(C)[C@@H](C)c1ccco1 116973970 QNANXOASYAALCZ-QWRGUYRKSA-N 236.315 2.947 30 20 BFED C=CCCCSc1nnc(C(C)C)n1C 117552630 MGJZCTUHFXNMOT-UHFFFAOYSA-N 225.361 2.997 30 20 BFED C=C[C@@H](C)N[C@@H](C)c1cccc(NC(C)=O)c1 119307933 PIZKKTPVLPXBFV-MNOVXSKESA-N 232.327 2.870 30 20 BFED CC#CCNC(=O)c1ccc(OC(C)(C)C)cc1 121050503 RBQIHASMUJWKPE-UHFFFAOYSA-N 245.322 2.617 30 20 BFED CC#CCNC(=O)C[C@H](CC)CCCC 121435842 AJOGAZJTTIHVCN-GFCCVEGCSA-N 209.333 2.732 30 20 BFED C=C(C)CNCc1cccc2cccnc12 127672251 WJPRPVAPAHSFRH-UHFFFAOYSA-N 212.296 2.901 30 20 BFED C=CCCOc1cc([N+](=O)[O-])ccc1OC 128549794 CZUQBWKOCBDQFH-UHFFFAOYSA-N 223.228 2.558 30 20 BFED C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(C#N)c1 131832713 OYJMZILRMNSKGY-SNVBAGLBSA-N 245.282 2.845 30 20 BFED CC(C)(C)OC(=O)CSc1ccccc1C#N 135017789 GVAGFJVARZJCEQ-UHFFFAOYSA-N 249.335 2.992 30 20 BFED CC(C)(CCC#N)CNCc1ccc(O)cc1 135170655 UIQXQSBYDRYXRO-UHFFFAOYSA-N 232.327 2.812 30 20 BFED C=CCN(C)C(=O)NCCC1CCCCC1 153910474 DNPAIKZKOYLGGB-UHFFFAOYSA-N 224.348 2.784 30 20 BFED C=C[C@H](C)NC(=O)Cc1cccc(OCCC)c1 154265229 MWNVUECUUODQPD-LBPRGKRZSA-N 247.338 2.709 30 20 BFED CC(C)[C@H]1CCC[C@H](Nc2ccc(C#N)nn2)C1 159332952 NANDKJNAJBSCIA-RYUDHWBXSA-N 244.342 2.975 30 20 BFED CCOC(C)(C)CNc1cccc(F)c1C#N 159445519 XPVCDGAPRWBHFQ-UHFFFAOYSA-N 236.290 2.924 30 20 BFED C=CCNC(=O)c1cc(Cl)ccc1C 162735609 IUOGIEKQSZYOOL-UHFFFAOYSA-N 209.676 2.564 30 20 BFED Cc1cc(F)ccc1NC(=O)c1cc(C#N)c[nH]1 175201243 QJVIKCKJTOMXMC-UHFFFAOYSA-N 243.241 2.586 30 20 BFED C=CCCCC(=O)NCc1cc(F)ccc1F 175579371 CDEQVFRXDNMYIN-UHFFFAOYSA-N 239.265 2.937 30 20 BFED C/C=C(\C)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 179327395 BMJBDCZNBRCPEO-RZCNENHTSA-N 239.278 2.705 30 20 BFED C=CCCN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 179987778 NSAPWDHOWLMXKZ-NSHDSACASA-N 244.338 2.798 30 20 BFED Cc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cn1 185861182 MFTOOVIXFQYKDQ-NEPJUHHUSA-N 215.300 2.884 30 20 BFED C=CCCOCCN[C@H](C)C1CCSCC1 187402673 DDDZQJNVXQBFIW-GFCCVEGCSA-N 243.416 2.700 30 20 BFED COC1(CNCc2ccc(C#N)o2)CCCCC1 187448702 WNLCPNGIADFCAD-UHFFFAOYSA-N 248.326 2.590 30 20 BFED C[C@@H](SCCCC#N)c1cnccn1 191018649 ROCDJCXBNZGUNU-SECBINFHSA-N 207.302 2.575 30 20 BFED Cc1csc(CN[C@H]2CCC[C@@H](C#N)C2)n1 192639907 ZEBCUTKRXWHKFD-MNOVXSKESA-N 235.356 2.624 30 20 BFED C=CCCCCCNC1(C(=O)OC)CCCC1 193452406 JCVQABWHCHVWPT-UHFFFAOYSA-N 239.359 2.808 30 20 BFED Cc1ccoc1C(=O)N(CC#N)c1ccccc1 194663984 XGEBQJYHOINGJP-UHFFFAOYSA-N 240.262 2.758 30 20 BFED Cc1cc(C#N)ccc1NC[C@@H]1CCCC[C@H]1O 203586630 UGTGLVNLWMWHCU-DZGCQCFKSA-N 244.338 2.830 30 20 BFED C[C@@H](C#N)CN(C)C[C@@H]1CCC2(CCCC2)O1 229315706 ZFVNRCHAMYEUMV-STQMWFEESA-N 236.359 2.570 30 20 BFED C#C[C@@H](CC)N[C@H](C)Cc1cccc(F)c1 229896893 PRVNBHDUGRZHOH-RISCZKNCSA-N 219.303 2.758 30 20 BFED C[C@H]1C[C@H](C)CC[C@H]1NCc1cc(C#N)n(C)c1 232315295 GXVLHGJCCQHHPW-TYNCELHUSA-N 245.370 2.811 30 20 BFED C#C[C@H](CCC)NC(=O)c1cccc(Cl)c1 233358502 MBKMEWCKICGHRV-GFCCVEGCSA-N 235.714 2.872 30 20 BFED C[C@@H](c1ccncc1)N1CCC(CC#N)CC1 259848109 ZFPKFIZMZPTXPS-LBPRGKRZSA-N 229.327 2.768 30 20 BFED CC[C@H](CC#N)NC(=O)Cc1cc(C)cc(C)c1 260042043 RCTHFLAUJQXYAE-CQSZACIVSA-N 244.338 2.654 30 20 BFED C=C1CCN(Cc2cccc(C(=O)OC)c2)CC1 264448728 HPRHNFJWEYRKQH-UHFFFAOYSA-N 245.322 2.625 30 20 BFED C=CCCCSCc1nc([C@H](C)OC)no1 267039967 YRXZRSNCSXASAI-VIFPVBQESA-N 242.344 2.976 30 20 BFED C[C@@H]1[C@@H](c2ccccc2)CCN1CCC#N 267614336 OVHJTDBJVCUQNF-OCCSQVGLSA-N 214.312 2.778 30 20 BFED N#CCN(Cc1cccc(Cl)c1F)C1CC1 271145749 RNJXLPNJUBYGGT-UHFFFAOYSA-N 238.693 2.967 30 20 BFED C=CCC[C@H](C)NC[C@H](O)CCc1ccccc1 273421347 JJGYNDZTXLRWPE-GOEBONIOSA-N 247.382 2.924 30 20 BFED C=CCCCCNc1ncc(Cl)cn1 274514282 VHQNYZBFTSMNCS-UHFFFAOYSA-N 211.696 2.898 30 20 BFED C=C(C)CCc1noc(C2(CCOC)CC2)n1 285148324 OMKKFTKUCQNINR-UHFFFAOYSA-N 236.315 2.646 30 20 BFED C=CCN[C@H](c1cccs1)C(C)(C)CO 289386922 QNDYHSHEWWYQAV-LLVKDONJSA-N 225.357 2.583 30 20 BFED CCOc1cc(C#N)ccc1OCSC 292554105 CIMQGRASUDAVAA-UHFFFAOYSA-N 223.297 2.656 30 20 BFED Cc1ccc2c(c1)CN(C(=O)CC#N)C(C)(C)C2 294044584 GNEWLQSUWXXRTB-UHFFFAOYSA-N 242.322 2.572 30 20 BFED C=CC(C)(C)C(=O)NCc1ccccc1F 294473687 VEHIKTYGUUGAKR-UHFFFAOYSA-N 221.275 2.654 30 20 BFED C=C(C)CNC(=O)[C@H]1CCCCC1(F)F 295691801 IIAMUCHVJMRYNM-SECBINFHSA-N 217.259 2.504 30 20 BFED C=CCCCCCN1CCC[C@@H](C)[C@H]1C(=O)O 300276039 YZWWWMQQEUMGRR-OLZOCXBDSA-N 239.359 2.918 30 20 BFED C#C[C@@H](NCc1ccc(C)c(F)c1)C(C)C 300920814 MWCIYZPTGDWVIO-CQSZACIVSA-N 219.303 2.882 30 20 BFED C[C@@H]1CCC[C@H](Nc2ccc(C#N)nn2)[C@@H]1C 301918810 JXWJWHDVTCSKGD-FOGDFJRCSA-N 230.315 2.585 30 20 BFED C[C@H]1CCC[C@@H](Nc2ccc(C#N)nn2)CC1 302633869 HAFVPKAHTILKQO-WDEREUQCSA-N 230.315 2.729 30 20 BFED C#C[C@H](NC(=O)[C@H]1CCCC(F)(F)C1)C(C)C 304177307 KMUJPNUEXQYGFT-QWRGUYRKSA-N 243.297 2.586 30 20 BFED CCCN(Cc1ccccc1)C(=O)[C@H](C)C#N 306523348 SKXCPVHGOBLHTH-GFCCVEGCSA-N 230.311 2.585 30 20 BFED CCc1nc(C#N)cc(N2CC[C@@H](C)[C@@H]2CC)n1 308172574 VCEZKCUXAZIAFX-PWSUYJOCSA-N 244.342 2.535 30 20 BFED CC(C)(C)CCC(=O)NCCCCC#N 308731764 ABDQDABQAWIDBE-UHFFFAOYSA-N 210.321 2.623 30 20 BFED C=CCC[C@H](CCC)NCc1cocn1 309098543 FVSCCEZTBRFZRK-NSHDSACASA-N 208.305 2.899 30 20 BFED C=C[C@@H](COC)NCc1ccc(F)c(Cl)c1 309958547 JXGOJCGQBHTUJB-JTQLQIEISA-N 243.709 2.770 30 20 BFED C=CCC(C)(C)CN[C@H](COC)C(C)C 310584292 TXSZYUOLEKOLSF-GFCCVEGCSA-N 213.365 2.849 30 20 BFED O/C(=N/CC1CC1)Nc1scnc1C1CC1 328925486 VXMZFCYVFJRLSI-UHFFFAOYSA-N 237.328 2.756 30 20 BFED C=C1CCN(Cc2nc3ccccc3[nH]2)CC1 334271751 VUAFJHAUSWTBDO-UHFFFAOYSA-N 227.311 2.715 30 20 BFED C[C@@H]1CC[C@@H](C(=O)N(C)c2ccccc2C#N)C1 334328063 MKCKOXKLTDKQNO-VXGBXAGGSA-N 242.322 2.957 30 20 BFED CCc1ccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)cc1 334672592 UZTGQKXNXVZDTE-IINYFYTJSA-N 228.295 2.737 30 20 BFED N#CCCC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 335377766 BJQGZWRTSFSOFD-UONOGXRCSA-N 231.343 2.694 30 20 BFED C=CCC(C)(C)C(=O)N1CCS[C@@H](C)CC1 335941534 YRJKHHSWQAIPFJ-NSHDSACASA-N 241.400 2.943 30 20 BFED N#Cc1cc(Cl)cc(OCC2(C#N)CC2)c1 335963154 UHKJGAJSLYADCH-UHFFFAOYSA-N 232.670 2.894 30 20 BFED C[C@@H](C#N)C(=O)N1CCC[C@@H]1C1CCCCC1 335998420 CQPJVSCWXQANNC-WCQYABFASA-N 234.343 2.717 30 20 BFED C[C@H]1C[C@@]1(C#N)C(=O)N(C)CC1CCCCC1 336245154 JMGNWZJEIKQLSY-FZMZJTMJSA-N 234.343 2.575 30 20 BFED C=C[C@H]1CCCCN1Cc1ccc(F)cn1 336454583 XDRLKTCOIVMMSN-ZDUSSCGKSA-N 220.291 2.761 30 20 BFED C[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(C#N)s2)C1 336592389 HDGWWDFYKVNHMZ-NXEZZACHSA-N 248.351 2.880 30 20 BFED Cc1nsc(NC[C@@H](C)C(F)(F)F)c1C#N 336758758 ZSDSSISDSPZCOC-RXMQYKEDSA-N 249.261 2.934 30 20 BFED N#Cc1ccc(N[C@H]2CCC[C@H]2F)cc1[N+](=O)[O-] 338845332 SPDLSUZFSTYMCK-MNOVXSKESA-N 249.245 2.769 30 20 BFED C=C(C)CN(C)C[C@@H]1CCCCN1C(C)C 340243516 AKHWNWAOHDNQEU-AWEZNQCLSA-N 224.392 2.757 30 20 BFED C=CCC(C)(C)c1noc(C2CCOCC2)n1 340826366 TYRUKZFVAWWQJP-UHFFFAOYSA-N 236.315 2.817 30 20 BFED C=CCCN(C)C(=O)Nc1ccnn1C(C)C 341519151 MZRPTDQRKQJXAH-UHFFFAOYSA-N 236.319 2.504 30 20 BFED COCCCCCn1nc(C#N)c2ccccc21 344728134 IAMXACDNPNOJSV-UHFFFAOYSA-N 243.310 2.725 30 20 BFED C=CCOCCCN1CC[C@H](C(C)(C)C)C1 348028178 CMHRNNPPEGAVJS-ZDUSSCGKSA-N 225.376 2.947 30 20 BFED C[C@H](C(=O)N[C@@H](C#N)c1ccccc1F)C1CC1 349448354 RFWXDXKGPRVNIT-ZANVPECISA-N 246.285 2.553 30 20 BFED C=CCC[C@@H](NCCN1CCCC1)c1ccco1 353433281 FFSZSACUUKUKPP-CQSZACIVSA-N 248.370 2.972 30 20 BFED C=CCOCC(=O)N(CC(C)C)CC(C)(C)C 354747037 DYJYEJJZAZEGDN-UHFFFAOYSA-N 241.375 2.720 30 20 BFED C=CCOCC(=O)Nc1c(C)cc(C)cc1C 356730359 OZVJJQLHDZMYAR-UHFFFAOYSA-N 233.311 2.753 30 20 BFED C=CCOCCCOc1cccc(C)c1 358564748 TZSCDBSDXODWRW-UHFFFAOYSA-N 206.285 2.967 30 20 BFED CC(C)(O)CCSc1ccc(C#N)cc1 360535482 PXFBLOOKZPXGGF-UHFFFAOYSA-N 221.325 2.811 30 20 BFED N#CC1CCN(CCCc2ccsc2)CC1 360896636 KBBRIXPCQPZTFX-UHFFFAOYSA-N 234.368 2.916 30 20 BFED CC[C@H](C#N)C(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 378793273 RHQLFFFJCYGQND-GRYCIOLGSA-N 234.343 2.573 30 20 BFED CCC(C#N)(CC)C(=O)N1CC[C@@H](C)[C@@H]1C 380696468 IAXHQIOBAATUFX-MNOVXSKESA-N 222.332 2.573 30 20 BFED CC[C@@H](N=c1cc[nH]c(C#N)c1)C1CCCC1 382783974 IWEMZBHABFMBIE-CQSZACIVSA-N 229.327 2.756 30 20 BFED C#C[C@H](C)NC(=O)c1ccc2sccc2c1 386122466 CKDAMAKTAWQPTG-VIFPVBQESA-N 229.304 2.653 30 20 BFED C#CCCCNC[C@H]1C[C@@H]1c1ccccc1 390148868 SIJJJHALOLZTNS-HUUCEWRRSA-N 213.324 2.793 30 20 BFED CCC(C)(C)CC(=O)N[C@H]1CCC[C@H]1C#N 408331344 QXMOFPMDQJTSSR-QWRGUYRKSA-N 222.332 2.621 30 20 BFED CC(C)c1cc(-c2ccsc2)nn1CC=O 409440725 OJNHZEAAASYDIW-UHFFFAOYSA-N 234.324 2.934 30 20 BFED CCC[C@@H](C#N)N(C)C(=O)c1ccc(C)cc1F 410828350 NHOAMHDSSSTTIJ-NSHDSACASA-N 248.301 2.898 30 20 BFED C=CCN(CC=C)C1CC(OC(C)C)C1 411163522 JPBCGIYOCREXBW-UHFFFAOYSA-N 209.333 2.616 30 20 BFED CC[C@H](Nc1cncc(C#N)n1)[C@@H]1CC1(C)C 420648075 CRRPAPXWKOKAOG-QWRGUYRKSA-N 230.315 2.585 30 20 BFED CCCc1nc(C)c(CN(C)C[C@@H](C)C#N)o1 428226743 HKVIAKXBWLIGBH-JTQLQIEISA-N 235.331 2.527 30 20 BFED C[C@H](Cc1cccc(O)c1)N[C@@H]1CC[C@H](C#N)C1 442794802 QJJNRCMEXQQTRK-KWCYVHTRSA-N 244.338 2.605 30 20 BFED C[C@H](C#N)CN(C)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 448774007 ZEDMZBXWLOTXIX-MROQNXINSA-N 236.359 2.677 30 20 BFED C=CCC1(C(=O)Nc2nncs2)CCCC1 449227879 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2.947 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 521391348 FUHGCPQQUBZHRA-RVMXOQNASA-N 221.344 2.894 30 20 BFED CCC[C@H](C#N)NC(=O)C[C@H]1CCC[C@@H]1C 546711145 LDHVIFSRXILRGW-QJPTWQEYSA-N 222.332 2.621 30 20 BFED C=CCCC(=O)N=c1cc[nH]c2ccccc12 547316285 XBLDJIHTVSBHFQ-UHFFFAOYSA-N 226.279 2.561 30 20 BFED C=C(CC)CNC(=O)c1cccc2c1ccn2C 584276064 MQMMDTQLPSBKDA-UHFFFAOYSA-N 242.322 2.874 30 20 BFED CC[C@@H](C#N)N(C)C(=O)c1ccc(C(C)C)nc1 594097483 NZNIRNNZCZHQPR-LBPRGKRZSA-N 245.326 2.579 30 20 BFED C[C@H](N=c1[nH]c(C#N)c(Cl)s1)C1CCC1 596175878 WKYVHKOMOBHUIF-LURJTMIESA-N 241.747 2.691 30 20 BFED CC1(C)CN(CC2(C#N)CC2)[C@@H]1c1cccnc1 596591848 LZZSWQJAWZFYSO-CYBMUJFWSA-N 241.338 2.768 30 20 BFED CCc1ccc(C)nc1NC(=O)[C@](C)(C#N)CC 598859942 NTJGIISTGQIVAD-AWEZNQCLSA-N 245.326 2.831 30 20 BFED Cc1cccc(CCCN[C@@H](C)CC#N)c1 602869122 MMBGIBIORMCKHM-ZDUSSCGKSA-N 216.328 2.819 30 20 BFED CN(C[C@H]1CC1(C)C)CC1(CC#N)CC1 602901775 IATROSIRFDIPAV-LLVKDONJSA-N 206.333 2.658 30 20 BFED 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761201818 QTWJQBIVVAGVTI-QMMMGPOBSA-N 246.339 2.596 30 20 BFED C#CCCCN1CCc2ccc(OC)cc2CC1 766939284 WEVAHFXZAJJXQY-UHFFFAOYSA-N 243.350 2.509 30 20 BFED C#CCC(C)(C)C(=O)N1CCc2cccc(F)c21 767092967 HIPHWDBLFPGVRT-UHFFFAOYSA-N 245.297 2.764 30 20 BFED C#C[C@@H](C)N(C)C(=O)C(CC)(CC)CC 767259329 QCCMVYCPXAKGFW-LLVKDONJSA-N 209.333 2.683 30 20 BFED CC(CC1CC1)=NNC(=S)Nc1ccccn1 767807303 ZFHNXAVYHDCRHE-UHFFFAOYSA-N 248.355 2.544 30 20 BFED N#CC1(COC(=O)/C=C/c2ccsc2)CCC1 768103150 HLLOCFXYWMFUHK-NSCUHMNNSA-N 247.319 2.998 30 20 BFED C=C(CC)COC(=O)c1c(C)ccc(OC)c1N 773503829 CAACEMGKDAUZKL-UHFFFAOYSA-N 249.310 2.709 30 20 BFED CCOCCON=Cc1cc(C)sc1C 774416748 GSOZHYLMBJZJCK-UHFFFAOYSA-N 227.329 2.752 30 20 BFED CC(=NOC1CCCCC1)[C@@H]1CCOC1 777457404 SVIVDDXHGFTEHC-LLVKDONJSA-N 211.305 2.748 30 20 BFED CC[C@H](C)[C@H](C)C(=O)OCC1(C#N)CC1 780235148 MGECEDXZUDTSGK-UWVGGRQHSA-N 209.289 2.516 30 20 BFED Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NO 782171544 INSPDJLGZFEZQK-JTQLQIEISA-N 236.315 2.570 30 20 BFED 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246.339 2.991 30 20 BFED CCCCCCCCN(C)[C@H](C)C(=O)OC 796491254 JCZAWAJMQYTNQX-GFCCVEGCSA-N 229.364 2.840 30 20 BFED C=CCOCCOC(=O)C(C)(C)c1ccccc1 797295225 PDXHEXCUPOVRDT-UHFFFAOYSA-N 248.322 2.710 30 20 BFED CC#CC(=O)N[C@@H](C)c1ccccc1OC(C)C 801132948 VCNLZCPMCZRTBY-LBPRGKRZSA-N 245.322 2.674 30 20 BFED CC#CC(=O)Nc1ccc(CC(F)(F)F)cc1 801160509 GYLOMQHKTVUBGW-UHFFFAOYSA-N 241.212 2.753 30 20 BFED C#CCCCOC(=O)c1ccccc1OC1CC1 805722353 MIPUIMZCXUGCHQ-UHFFFAOYSA-N 244.290 2.798 30 20 BFED C#C[C@H](NC(=O)N[C@@H](CC)CCC)C(C)(C)C 808250781 UXAKRJXSEQPDHB-RYUDHWBXSA-N 238.375 2.912 30 20 BFED C#CCN(CC#N)C[C@@H](C)c1cccc(Cl)c1 810002543 WJCKBYYHZNHCLP-GFCCVEGCSA-N 246.741 2.902 30 20 BFED Cl/C=C/CON=Cc1ccc2c(c1)CCO2 811670891 HTGRTLGPEQKJCX-QCLYPVGMSA-N 237.686 2.725 30 20 BFED C#C[C@H](C)NC(=O)N[C@@H](c1cccs1)C1CC1 811998316 WBYQGGPJVBBLOS-JOYOIKCWSA-N 248.351 2.520 30 20 BFED C#C[C@H](NC(=O)NC(C(C)C)C(C)C)C(C)C 812175490 QVQIXIKWFZJVJZ-LBPRGKRZSA-N 238.375 2.624 30 20 BFED 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30 20 BFED C=C[C@H](CC)CC(=O)N(C)CCC(F)(F)F 1119863653 JJJUUPVJXFIFJJ-SECBINFHSA-N 237.265 3.000 30 20 BFED C[C@H](C#N)COC(=O)c1nsc2ccccc12 1122731272 UTPURGBDUGYQSU-MRVPVSSYSA-N 246.291 2.613 30 20 BFED CC[C@H]1CCN(c2cccc(C#N)n2)[C@H]1C 1163107083 VGMVAKWCSZZBTF-QWRGUYRKSA-N 215.300 2.578 30 20 BFED C[C@H](NCc1cccc(C#N)n1)c1cccs1 1205421214 VHTXZQRSBHUJQZ-JTQLQIEISA-N 243.335 2.866 30 20 BFED Cc1cc(F)cc(NCC2(C#N)CCC2)n1 1338026777 LEQYHYIPCWRXDU-UHFFFAOYSA-N 219.263 2.635 30 20 BFED C=C(CC)C(=O)N1CCC[C@H]1CC(C)C 1346382558 YZKBVQKFRDDNIH-LBPRGKRZSA-N 209.333 2.990 30 20 BFED N#Cc1cccc(C#N)c1NCC1CC=CC1 1348111037 QVHGWJYDFYBERY-UHFFFAOYSA-N 223.279 2.808 30 20 BFED C=C(C)CCC(=O)O[C@@H](C)c1cc(C)on1 1349732305 YVQFEAVZDOISMQ-JTQLQIEISA-N 223.272 2.944 30 20 BFED C=C(C)CCC(=O)N1CCCC[C@@H](COC)C1 1354884561 GPLTVXAQNIBQES-CYBMUJFWSA-N 239.359 2.618 30 20 BFED C[C@H](C#N)N(C)C(=O)c1ccc(F)c2occc12 1460493462 CIPIOGHQSSIMBR-MRVPVSSYSA-N 246.241 2.556 30 20 BFED 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BFED CC#CCNC(=O)N[C@H](CCC)c1ccccc1 179301588 KNBMUYVHQCQXMB-CQSZACIVSA-N 244.338 2.850 30 20 BFED C=C(C)CN(C)Cc1ccc(O[C@H](C)C#N)cc1 181047101 GVWDRRPBGWQRLI-CYBMUJFWSA-N 244.338 2.985 30 20 BFED C#C[C@H](C)NC(=O)c1ccccc1NCCCC 186328356 ZPGLQXJYRYOKED-LBPRGKRZSA-N 244.338 2.650 30 20 BFED C#C[C@@H](C)/N=C(\N)Nc1cccc(C(C)C)c1 187048335 ZVRFAJWOSUTKLT-LLVKDONJSA-N 229.327 2.558 30 20 BFED C=CCCCOC(=O)c1cnn(C(C)C)c1 191580043 YPXCCUWMMZDTGH-UHFFFAOYSA-N 222.288 2.587 30 20 BFED C=CCCO[C@@H](C)C(=O)N[C@@H](CC)CCC 194870701 RLDOQUNUPZZIGE-RYUDHWBXSA-N 227.348 2.663 30 20 BFED C=CCSCCN[C@@H]1CCCc2cccnc21 231932447 NCSCRIIRRVDBIP-CYBMUJFWSA-N 248.395 2.968 30 20 BFED C#C[C@@H](CC)Nc1ccc(F)cc1[N+](=O)[O-] 233890806 RQFFPGNLUCVOQJ-VIFPVBQESA-N 222.219 2.558 30 20 BFED COc1cc(CN2CCCC[C@H]2C)ccc1C#N 234969053 SUEUGAKSXFWDJR-GFCCVEGCSA-N 244.338 2.941 30 20 BFED C/C(C=Nn1c(C)nnc1C)=C/c1ccccc1 245264219 CBBYAPSSTJJZJA-IQPQOVDXSA-N 240.310 2.832 30 20 BFED C[C@H]1CCN(Cc2ccccc2C#N)[C@H]1C 248329057 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2.905 30 20 BFED C[C@@H]1CC[C@@H](C)[C@H](OC(=O)c2ccc(C#N)[nH]2)C1 816226652 SOICXFOFGLZSFM-GIPNMCIBSA-N 246.310 2.868 30 20 BFED C#C[C@H](CCC)NC(=O)N(CCC)CC(C)C 820636943 YOAYYRUOGRQTIW-CYBMUJFWSA-N 238.375 2.866 30 20 BFED C#C[C@@H](CC)NC(=O)N(CC1CCC1)C(C)C 821567454 NNTJLYVBQYJIEX-ZDUSSCGKSA-N 236.359 2.618 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCCC 822394259 LQHDQDSJYZOXIF-UPJWGTAASA-N 239.359 2.663 30 20 BFED CCCn1nccc1CN(CCC#N)CC(C)C 824502926 MPUUJRYRNYLBFL-UHFFFAOYSA-N 248.374 2.665 30 20 BFED N#CC1(CSc2nccs2)CCC1 829100030 HJVWIFKAAHZFHE-UHFFFAOYSA-N 210.327 2.929 30 20 BFED Cc1[nH]c(C#N)cc1C(=O)OCC1CCCCC1 835087348 PBRFAWUDNMVQGA-UHFFFAOYSA-N 246.310 2.932 30 20 BFED CC(C(=O)OCCCCC#N)=C1CCC1 838235243 GUJYQYWGGGDIBE-UHFFFAOYSA-N 207.273 2.724 30 20 BFED C=C(C)C[C@@H](C)C(=O)O[C@@H]1CCC[C@H]1OC 839108601 ZUZNRCHQTVEYBB-IJLUTSLNSA-N 226.316 2.699 30 20 BFED CON(CCC#N)C[C@H]1CCC[C@@H](C)C1 839606177 OAIPEGHKYAUASW-NEPJUHHUSA-N 210.321 2.590 30 20 BFED C[C@H](CO)N(C)N=CC1CCC(C)(C)CC1 842542771 VGTSMPLTOKPMQN-LLVKDONJSA-N 226.364 2.501 30 20 BFED CCCON=C1CCCC[C@H]1CCCO 842551755 UIMQWUNTLNMMQZ-NSHDSACASA-N 213.321 2.732 30 20 BFED C=C(C)[C@H](C)OC(=O)c1ccnn1CC(C)C 842760899 JNXHXBDRMDUHNZ-NSHDSACASA-N 236.315 2.661 30 20 BFED C=C(C)CONC(=O)NC[C@H](C)c1ccccc1 844284772 WKBHOWUFVQOIMK-LBPRGKRZSA-N 248.326 2.597 30 20 BFED CC(C)C#CC(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C 846987646 PYODOKAMSFSUAJ-MJBXVCDLSA-N 235.371 2.834 30 20 BFED CC[C@@H]1CCC1=NNc1ccc(CC(=O)O)cc1 848415354 ZTQTUDUNQWXDAH-LLVKDONJSA-N 246.310 2.902 30 20 BFED ClC1(Cl)C[C@H]1C=NNC1CCCC1 853302063 WANNMKYAODVKPV-ZETCQYMHSA-N 221.131 2.698 30 20 BFED CCOC1CCC(=NOC2CCOCC2)CC1 853334807 RQBOMNFAFPYWSV-UHFFFAOYSA-N 241.331 2.517 30 20 BFED C#CCCCNC(=O)NC1(CC=C)CCCC1 853798842 ISDFKRSQJNXJTR-UHFFFAOYSA-N 234.343 2.588 30 20 BFED C#Cc1cccnc1N1CCC[C@H](CC=C)C1 853801864 LYVRJAUJUIGMMK-ZDUSSCGKSA-N 226.323 2.855 30 20 BFED Cc1cccc(NC(=O)C#CC(C)C)c1C 854124744 MTWFNSZMSHLSNZ-UHFFFAOYSA-N 215.296 2.901 30 20 BFED C=CCCONC(=O)[C@@H]1CCC[C@H]1CCC 856035956 PDKRGVBDJXOIKL-VXGBXAGGSA-N 225.332 2.827 30 20 BFED C=CCCONC(=O)c1c(C)cccc1Cl 856036027 RTXFQLUDSVBEBW-UHFFFAOYSA-N 239.702 2.886 30 20 BFED CCOc1cncc(C=NNCC(CC)CC)c1 857212149 UPFAZWFYLPCQIY-UHFFFAOYSA-N 249.358 2.840 30 20 BFED C#CCCOC(=O)N[C@H](C)[C@H](C)c1ccccc1 859049568 PDTSOSRCLSOWHE-QWHCGFSZSA-N 245.322 2.928 30 20 BFED CCCOC(=O)N1CCCC(C)(C)[C@@H]1C#N 859134738 OPKZUCOTJXCNIB-JTQLQIEISA-N 224.304 2.547 30 20 BFED CCC(C#N)(CC)C(=O)O[C@@H]1CCC[C@H](C#N)C1 860826591 ZSVKARLEULHRGM-NWDGAFQWSA-N 248.326 2.942 30 20 BFED C=CC[C@@H](C)[C@H](C)NCCC(C)(C)OC 866504608 LRIIDYRUXDPUND-NEPJUHHUSA-N 213.365 2.992 30 20 BFED C#CCc1c(C)nn(-c2cccc(C)c2)c1C 871941178 XDEUQRPUUMLTFA-UHFFFAOYSA-N 224.307 2.973 30 20 BFED CCC[C@@H](CC)C(=O)N(CCC#N)CC1CC1 874356332 UPBBHZHTXDYGBS-CYBMUJFWSA-N 236.359 2.965 30 20 BFED COc1ccc(NC[C@@H](C)CCC#N)cc1C#N 877769857 LJWJCMNKUQEYKH-NSHDSACASA-N 243.310 2.919 30 20 BFED Cc1ccc(C#N)cc1NC(=O)N(C)CCCF 887702867 WPFCAHVRQUIILM-UHFFFAOYSA-N 249.289 2.690 30 20 BFED CC[C@@H](C)[C@@H](C)C(=O)N(CC#N)c1ccccn1 892470320 OBZUPFXGBMXIQW-VXGBXAGGSA-N 245.326 2.620 30 20 BFED C=C1CCN(C(=O)N[C@H]2CCC2(C)C)CC1 894841825 YONWAAQIISWMDT-NSHDSACASA-N 222.332 2.537 30 20 BFED C=CCC[C@H](N[C@@H]1CC[C@@H](C)C[C@H]1C)C(=O)O 901691784 DYWPWJQWVMRRIE-LPWJVIDDSA-N 239.359 2.820 30 20 BFED CC(C)CNN=Cc1ccc(OC(F)F)cc1 916366071 ONWPYEPOKAHXTQ-UHFFFAOYSA-N 242.269 2.868 30 20 BFED Cc1cc(C)nc(NN=C/C=C\c2ccco2)n1 920360297 WELFLFDXFCGXGV-MTHCQHNGSA-N 242.282 2.798 30 20 BFED Cc1ccc(C#N)cc1C(=O)N(C)CC(C)C 930027753 DAYJXLRPWFLLKR-UHFFFAOYSA-N 230.311 2.595 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@@H](C)c1cn(C)nc1C 931774907 PCJQCNCBZOAMMC-JQWIXIFHSA-N 249.358 2.508 30 20 BFED CCC[C@@](C)(CC)C(=O)N(C)[C@@H](C)CC#N 1121279634 HIBTXLBTFXPFLK-WCQYABFASA-N 224.348 2.963 30 20 BFED C=C[C@@H](CC)OC(=O)c1conc1C(C)C 1122657031 FKRGPHSOBISVLY-VIFPVBQESA-N 223.272 2.919 30 20 BFED C=C(C)CCOC(=O)Cc1c[nH]c2cnccc12 1261234877 ZCARQEVYXXTMRK-UHFFFAOYSA-N 244.294 2.615 30 20 BFED CC[C@@H](NC[C@H](C#N)CCC#N)c1ccccn1 1262575208 KMBWCSBDBLDXPE-QWHCGFSZSA-N 242.326 2.566 30 20 BFED CCC[C@H](C)NC(=O)c1cccc(C#N)c1C 1321281322 MAPVZKHHOAFENY-JTQLQIEISA-N 230.311 2.785 30 20 BFED C=C1CCC(C(=O)N2CCCSC2)CC1 1337392043 FNVKKCKPULEDLV-UHFFFAOYSA-N 225.357 2.656 30 20 BFED C=C(C)CCC(=O)NCc1cccc2c1OCC2 1339107728 RRDKOMNSDQESAX-UHFFFAOYSA-N 245.322 2.594 30 20 BFED Cc1cc(C(=O)O[C@H]2CC[C@H](C#N)C2)oc1C 1343332591 WXNLPDZPIXXOPT-QWRGUYRKSA-N 233.267 2.746 30 20 BFED C=C(C)CCC(=O)OCCC1(OC)CCC1 1344747067 IFFRCKMMUYBGRX-UHFFFAOYSA-N 226.316 2.845 30 20 BFED CC(C)C(C)(C)NC(=O)c1csc(C#N)c1 1346165374 HMIHZXKVYVEPFW-UHFFFAOYSA-N 236.340 2.784 30 20 BFED C=C[C@H](C(=O)N[C@@H](C)CC)c1ccccc1 1347175893 CHSHICITZCUURG-AAEUAGOBSA-N 217.312 2.871 30 20 BFED C=C1CCN(c2ncc3c(n2)CCCC3)CC1 1347991156 YSOPPEHJCAXNPT-UHFFFAOYSA-N 229.327 2.512 30 20 BFED C=C(CC)C(=O)N[C@@H](C)c1ccc(C#N)cc1 1348494868 GPAKNDUFWVUAMK-NSHDSACASA-N 228.295 2.702 30 20 BFED C=C(CC(C)C)C(=O)NC[C@@H]1C[C@@H](C)O[C@@H]1C 1349941822 RIGVFWJQKLFLLC-UPJWGTAASA-N 239.359 2.518 30 20 BFED C=C(CC)C(=O)N(C)C[C@H]1CC=CCC1 1519872334 UYFIBNYOCLXQAV-LBPRGKRZSA-N 207.317 2.767 30 20 BFED C=C(C)C[C@@H](N[C@H]1C[C@@H]2CCC[C@@H]2C1)C(=O)O 1602755076 GNWNEICSRYRLCX-YVECIDJPSA-N 237.343 2.574 30 20 BFED CC[C@@H]1C[C@H]1CN1CCc2c(C#N)cccc21 1643506614 ZIGCRECRFBAEBX-YPMHNXCESA-N 226.323 2.967 30 20 BFED CC(=NNc1cccc(C(=O)O)c1)[C@@H]1CC12CC2 1776037549 NAVDKQNCNGIITJ-LBPRGKRZSA-N 244.294 2.973 30 20 BFED C=CCCCN1CC2(CCCC2)C[C@@H]1C(=O)O 1776174172 WXKGCTCJELMNSO-GFCCVEGCSA-N 237.343 2.672 30 20 BFED C#CCCOc1ccc(F)cc1Br 19481379 CZNMFSZSCPDSHP-UHFFFAOYSA-N 243.075 2.990 30 20 BFED CN(Cc1cccnc1)c1ccc(C#N)cc1F 36886736 OWYUTUYMFLQTIW-UHFFFAOYSA-N 241.269 2.729 30 20 BFED N#Cc1cccc(CNC[C@H]2Cc3ccccc32)c1 37565304 WEUNSACYWQVKJK-MRXNPFEDSA-N 248.329 2.988 30 20 BFED CCC[C@H](C#N)NC(=O)c1ccccc1Cl 40352070 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CC(C)(C#N)C(=O)Nc1cccc(Cl)c1O 77012566 ICKHFFPQDMWUPC-UHFFFAOYSA-N 238.674 2.534 30 20 BFED CC[C@@H](C)CN(CC)c1cc(C#N)ccn1 93255045 RHOLPLWKSCYLLD-LLVKDONJSA-N 217.316 2.826 30 20 BFED C[C@@H]1CCCN(c2cccnc2C#N)CC1 95972006 VTKKERZXSQKSTC-LLVKDONJSA-N 215.300 2.580 30 20 BFED CCCCCCCCNC(=N)NCCC 112800610 BJUMPTLWVSBAPH-UHFFFAOYSA-N 213.369 2.871 30 20 BFED Cc1ccc(-c2cc(C#N)nc(C)n2)cc1 114190001 WRNDGPHLOYPLAT-UHFFFAOYSA-N 209.252 2.632 30 20 BFED C#CCCCCC(=O)N[C@@H]1CCC[C@@H](C)C1 119564422 WFDUDMGCOLXDJW-CHWSQXEVSA-N 221.344 2.875 30 20 BFED CC(C)[C@](C)(C#N)NC(=O)CC1CCCC1 120674099 GBRKCHQNNRELMW-ZDUSSCGKSA-N 222.332 2.621 30 20 BFED CC#CCNC(=O)c1cc(Cl)ccc1Cl 121140984 NEYQETJREBDKML-UHFFFAOYSA-N 242.105 2.747 30 20 BFED C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H]2C)cc1 124325697 YKJYDLKCOZDGJE-STQMWFEESA-N 244.338 2.962 30 20 BFED C=C[C@@H](C)NC(=O)NCC[C@@H]1C[C@@H]2CC[C@@H]1C2 128107572 KHJIAQMSPPTCLF-FDYHWXHSSA-N 236.359 2.686 30 20 BFED C#CCCCCNc1cc(C)nc(C2CC2)n1 130534389 VDRGAQVZXXLHNO-UHFFFAOYSA-N 229.327 2.878 30 20 BFED C=CCOC(=O)[C@@H](C)Oc1ccccc1Cl 131266062 FRXHIVOUIOTJAR-SECBINFHSA-N 240.686 2.837 30 20 BFED C=C[C@H](CC(=O)OC[C@H](C)OC)c1ccccc1 134192573 UWNXLOBIUNNNJG-QWHCGFSZSA-N 248.322 2.924 30 20 BFED CC[C@H](CC#N)NCc1cc(C)oc1C 135039612 JEIXGCYVDBUKKL-GFCCVEGCSA-N 206.289 2.678 30 20 BFED C=C[C@@](C)(CC)C(=O)NC[C@]1(C)CCCS1 135114832 VXWCGBWXKDBQNW-STQMWFEESA-N 241.400 2.991 30 20 BFED C=CC[C@H](C)NC(=O)c1cccc2[nH]ccc12 135579725 BKXZECGWLFPILT-JTQLQIEISA-N 228.295 2.862 30 20 BFED Cc1ccccc1CCNc1cnccc1C#N 135614793 AIKHVSDJWLGBMF-UHFFFAOYSA-N 237.306 2.916 30 20 BFED C=C(C)CNCc1ccccc1OCC 153392087 YRMZNXPWGJKNSO-UHFFFAOYSA-N 205.301 2.751 30 20 BFED C=C[C@@H](C)NC(=O)CCSc1ccccc1 154152358 RBEMJKMXYKSTLK-LLVKDONJSA-N 235.352 2.860 30 20 BFED CC#CCCN1CCC(c2ccc(O)cc2)CC1 155020422 KTUQYAZYDQVFJJ-UHFFFAOYSA-N 243.350 2.985 30 20 BFED Cc1ccc(C#N)c(NC[C@@H]2CCCCS2)n1 158196695 MLOTUENODWSASA-LBPRGKRZSA-N 247.367 2.959 30 20 BFED C#C[C@@H](C)NCc1ccc(F)cc1Cl 158969778 JXTGIURVZIHUSQ-MRVPVSSYSA-N 211.667 2.590 30 20 BFED N#CCCN(CCC#N)CCC1CCCC1 160476947 ATNVOZJNSBKCOH-UHFFFAOYSA-N 219.332 2.696 30 20 BFED C=CCN(C)C(=O)N[C@@H]1CCCc2ccccc21 161135987 HDOWLLUUOREDGZ-CQSZACIVSA-N 244.338 2.891 30 20 BFED CCC(C)(C)C(=O)N[C@H](C#N)c1ccccc1F 161434670 ADUCHXBOSPZBLZ-GFCCVEGCSA-N 248.301 2.943 30 20 BFED CC#CCN[C@H](C)c1ccccc1OC(F)F 163613508 YSEOGWBEPHGZEM-SNVBAGLBSA-N 239.265 2.962 30 20 BFED C=CCO/N=C/c1ccc(OCC)cc1 165320232 FDIXGMKBJMTKNZ-JLHYYAGUSA-N 205.257 2.622 30 20 BFED C=CCCC(=O)N(CC#N)c1ccccc1 171443099 KRVZIMYJAQWVPL-UHFFFAOYSA-N 214.268 2.509 30 20 BFED CC(C)c1nccc(NCCCCC#N)n1 171926091 MJPPXZZAKWYTRT-UHFFFAOYSA-N 218.304 2.706 30 20 BFED C[C@@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 173147707 VNBPSFOFSMEKQW-GFCCVEGCSA-N 242.322 2.502 30 20 BFED C#Cc1cccc(NC(=O)N2CCC(C)(C)C2)c1 174784322 SHWSBLQNVRWBQX-UHFFFAOYSA-N 242.322 2.932 30 20 BFED CC[C@@H](C)N(C)Cc1cc(F)ccc1C#N 177296234 YHSZQTAZHYQNRZ-SNVBAGLBSA-N 220.291 2.928 30 20 BFED C=CCNC(=O)N1CC[C@H](c2ccccc2)[C@H]1C 177310267 AAHODHJSPCFRSP-OCCSQVGLSA-N 244.338 2.760 30 20 BFED C=C(C)CN(C)C(=O)Nc1ccc(C#N)cc1 180018154 VDUNLBMFSLMQIB-UHFFFAOYSA-N 229.283 2.598 30 20 BFED CC[C@H](C)[C@H](C)C(=O)NCc1ccc(C#N)cc1 182931623 FZHOOOQLDLEWDK-RYUDHWBXSA-N 244.338 2.857 30 20 BFED CC[C@H](C)[C@@H](C)C(=O)N(CCC#N)CC1CC1 184139333 BNDZNVVSUGXMKE-NWDGAFQWSA-N 236.359 2.821 30 20 BFED C#C[C@@H](C)NC(=O)NCC1(CC(C)C)CCC1 186079534 DVVOTPDYEQDWRV-GFCCVEGCSA-N 236.359 2.524 30 20 BFED C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccnc1 192609131 SEAYORIRUYYNOP-MBNYWOFBSA-N 229.327 2.815 30 20 BFED CC[C@@H](C)C(=O)Oc1ccc(C#N)c(OC)c1 195174171 UBXKZTYTRAGAAB-SECBINFHSA-N 233.267 2.518 30 20 BFED CC(C)C(CNc1nccc(C#N)n1)C(C)C 231906734 DDNHMLUBEBXDKC-UHFFFAOYSA-N 232.331 2.688 30 20 BFED Cc1ccc(CN(C)CC#N)c(Cl)c1 234259533 STMAKGPPSPDXGL-UHFFFAOYSA-N 208.692 2.604 30 20 BFED CCN1CCCC[C@@H]1CN[C@@H]1CCC[C@@H](C#N)C1 248946781 ZIRKMFRXZVIPSS-RBSFLKMASA-N 249.402 2.533 30 20 BFED C#CC/N=C\c1cc(Cl)cc(Cl)c1O 255036555 FSVVRFIANWOPSK-MLPAPPSSSA-N 228.078 2.751 30 20 BFED C=CCC[C@H](C)N[C@H](CCCC)C(=O)O 263426505 QSAGVNGBTBVKRZ-WDEREUQCSA-N 213.321 2.574 30 20 BFED CSCCCN(C#N)c1ccc(F)c(C#N)c1 266437134 KIXVJEYFYORLII-UHFFFAOYSA-N 249.314 2.738 30 20 BFED C#CC[C@H](NC(=O)N(C)C1CC1)c1ccccc1 270372060 UGVYXJPRAUBWSY-AWEZNQCLSA-N 242.322 2.555 30 20 BFED CCCNC1(c2cccc(C#N)c2)CC1 271855665 YJARMADUNMFYHN-UHFFFAOYSA-N 200.285 2.547 30 20 BFED C[C@H](C#N)CN(C)[C@H](C)c1cccc(C#N)c1 274993412 FBJDYCAMCLKNPE-VXGBXAGGSA-N 227.311 2.711 30 20 BFED C=CCN(C)C(=O)NC[C@@H](C)c1ccccc1 275042049 VZQVIYRIWHZQPS-GFCCVEGCSA-N 232.327 2.618 30 20 BFED C=CCCN(C)C(=O)CCc1ccc(OC)cc1 276214610 CLKKEFYBFMELDR-UHFFFAOYSA-N 247.338 2.662 30 20 BFED C=CCCCNc1[nH]nc(C2CC2)c1C#N 276859501 GFEFDHIWBZOOAT-UHFFFAOYSA-N 216.288 2.537 30 20 BFED C=CCn1c([C@H](C)CC)nnc1N1CCCC1 282202016 HBZJZJKPJBALJM-LLVKDONJSA-N 234.347 2.578 30 20 BFED CC#CC(=O)N1CCC(c2ccccc2C)CC1 283359500 YLBXOBDSDJSKJH-UHFFFAOYSA-N 241.334 2.724 30 20 BFED C=CCCCCCCNc1nccn2cnnc12 286442240 OHTKKVOJBBOEIS-UHFFFAOYSA-N 245.330 2.673 30 20 BFED CC#CC(=O)N1CC(C)(C)[C@@H]1c1cccs1 291706232 KUQZUZNGZKAJJG-LBPRGKRZSA-N 233.336 2.681 30 20 BFED CC(C)[C@H]1N(c2ncccc2C#N)CC12CCC2 291873975 NUOFZJPJOREBDG-CYBMUJFWSA-N 241.338 2.968 30 20 BFED CC1(C)CCCc2sc(NC(=O)CC#N)nc21 292118935 REKMZZZGEXHOPN-UHFFFAOYSA-N 249.339 2.609 30 20 BFED Cc1cc(C)cc(CCNC(=O)CCCC#N)c1 292268104 WRKZGINOHUMZFT-UHFFFAOYSA-N 244.338 2.656 30 20 BFED C#C[C@H](NCc1cccc(O)c1Cl)C(C)C 294739470 QQVPUVDGYTVRFM-NSHDSACASA-N 237.730 2.793 30 20 BFED C=C(Cl)CNC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 295994953 XHFBFJCCMUVMIS-FXPVBKGRSA-N 229.751 2.927 30 20 BFED C#CCN(CC)C(=O)N[C@@H](CC)c1ccccc1 299454036 PCEFZQDIAGVWSA-AWEZNQCLSA-N 244.338 2.802 30 20 BFED C[C@H](C#N)CNc1cc(Cl)nc(C2CC2)n1 302007270 UPZATGXFLBTLTB-SSDOTTSWSA-N 236.706 2.579 30 20 BFED Cc1ccc2c(c1)CCN(c1cccc(C#N)n1)C2 302729375 QYCXBABMKGKLLQ-UHFFFAOYSA-N 249.317 2.824 30 20 BFED CC(C)CN/C(N)=N/CC1CCC(C)(C)CC1 305703732 QCOIHPDIFZTRAG-UHFFFAOYSA-N 239.407 2.763 30 20 BFED C=C(Cl)CSCCN(CC)CC 307975783 KVPSHOJGOQNTRN-UHFFFAOYSA-N 207.770 2.814 30 20 BFED C=C(C)CNCc1ccc(C#N)c(C)c1 309085283 WPJMYOSWRGTTAN-UHFFFAOYSA-N 200.285 2.532 30 20 BFED C=CCC[C@H](NCCOC1CCC1)C1CC1 309423245 AFXBNADLNNWPPS-AWEZNQCLSA-N 223.360 2.890 30 20 BFED Cc1cc(NCCC#N)c2ccccc2n1 309687904 HZFDZVBWJALTMM-UHFFFAOYSA-N 211.268 2.869 30 20 BFED CCC#C[C@@H](C)N[C@H](C)c1cnccc1C 309822896 WSUKPRKSMWCMRP-CHWSQXEVSA-N 216.328 2.843 30 20 BFED C#CCCNc1ccc(Cl)c(C(=O)OC)c1 309974414 RQJWBXQMUPVWCP-UHFFFAOYSA-N 237.686 2.562 30 20 BFED C[C@H](C(=O)N[C@H]1CCC[C@H]1C#N)c1cccs1 331100973 OOZVIEZKVWGTGH-DCAQKATOSA-N 248.351 2.660 30 20 BFED C[C@@H]1C[C@]1(C#N)c1nc(-c2ccc(F)cc2)no1 334545405 PYKSWJORQBPBOR-AMIZOPFISA-N 243.241 2.677 30 20 BFED Cc1cccc(C)c1C(=O)NCC1(C#N)CCC1 335255707 FDFMPQSFJNPIRF-UHFFFAOYSA-N 242.322 2.727 30 20 BFED C[C@H](C(=O)Nc1cccc(C#N)n1)C(C)(C)C 335377495 ZJYDYTYEQXTKDH-SECBINFHSA-N 231.299 2.574 30 20 BFED CC1=C(C)C[C@H](C(=O)N[C@H](C)CC#N)CC1 335526591 DXFGRPLAIGMAIC-VXGBXAGGSA-N 220.316 2.541 30 20 BFED C=C[C@@H]1CCCCN1Cc1cccc(C)n1 335877821 AHTDPJFFCLZKDZ-CQSZACIVSA-N 216.328 2.931 30 20 BFED C[C@@H](C#N)C(=O)N1CCC(c2ccsc2)CC1 336100021 PLBONUPRDWMOJU-JTQLQIEISA-N 248.351 2.614 30 20 BFED CC[C@]1(C)C[C@H]1C(=O)N(C)c1ccc(C#N)cc1 336166385 BUIZNGROHNGAES-DZGCQCFKSA-N 242.322 2.957 30 20 BFED C=CC[C@@H](C)[C@@H](C)NCc1ccc(F)cn1 336742839 OPZSUEVXQPRTJN-GHMZBOCLSA-N 222.307 2.911 30 20 BFED C=CCCCN[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C 336752280 FZNXIJPLFQQTQN-IJLUTSLNSA-N 211.349 2.602 30 20 BFED C[C@@H](CCC1CC1)NCC1(CC#N)CC1 336761037 MTUVAUIBVSYUTJ-NSHDSACASA-N 206.333 2.849 30 20 BFED Cc1c(C#N)cccc1C(=O)N1CCC(C)(C)C1 338128013 JPANGBAPFGWQQH-UHFFFAOYSA-N 242.322 2.739 30 20 BFED CCOC(=O)CCCSc1ccc(C#N)cc1 338635842 DQBVHPJJJHWUOU-UHFFFAOYSA-N 249.335 2.994 30 20 BFED CCCCOCC(=O)Nc1ccccc1CC#N 339172474 UXCWNUZJLLVXSN-UHFFFAOYSA-N 246.310 2.508 30 20 BFED C=CC[C@H](CC)NC(=O)C1(SC)CCC1 341643004 DGYLYWFJFRFNCN-JTQLQIEISA-N 227.373 2.743 30 20 BFED CCC(CC)[C@@H](C)C(=O)N(C)C[C@@H](C)C#N 341780825 BQLGDXVDZBDOAK-WDEREUQCSA-N 224.348 2.677 30 20 BFED C=CCCN(C)C(=O)NCc1cccc(C)c1 342398965 JSWGCVLLRLSTBG-UHFFFAOYSA-N 232.327 2.713 30 20 BFED C=CCN1Cc2ccccc2OC(C)(C)C1 344067748 JHXZGFJSXRWIJI-UHFFFAOYSA-N 217.312 2.846 30 20 BFED C[C@H]1CC[C@@H](C(=O)NCC(C)(C)CCC#N)C1 345880414 GDUFCCGJHOWNNE-NWDGAFQWSA-N 236.359 2.869 30 20 BFED C=CCCN(C)C(=O)c1cc2c(F)cccc2[nH]1 346861120 VJCFDIIIMGSNTO-UHFFFAOYSA-N 246.285 2.955 30 20 BFED CC#CCCCC(=O)N(C)[C@H]1CC[C@H](C)C1 346957985 ODVWISAISGPKGD-STQMWFEESA-N 221.344 2.827 30 20 BFED C=CCOCCCN1CCC[C@H]2CCC[C@@H]21 348049520 OKDZNCXPIWSJLA-KGLIPLIRSA-N 223.360 2.844 30 20 BFED C=CCC(C)(C)c1nc([C@@]2(C)CCCO2)no1 350521062 GHLWUBLPPHJJFE-CYBMUJFWSA-N 236.315 2.949 30 20 BFED C=CCCCN(CCCN)CC1CCCC1 352488196 NHOVZMPTHPAZMG-UHFFFAOYSA-N 224.392 2.794 30 20 BFED C=CCCC(=O)N[C@H](CC)CC(F)(F)F 354916878 SZBRZHBCMSXOHP-MRVPVSSYSA-N 223.238 2.800 30 20 BFED C[C@H](C(=O)NCC(C)(C)CCC#N)C(C)(F)F 354980149 URCSITWUAMQIFW-SECBINFHSA-N 246.301 2.724 30 20 BFED C=CCN(c1nc(C2CC2)ns1)C1CC1 357198884 BCZPATNWNQDSFA-UHFFFAOYSA-N 221.329 2.570 30 20 BFED C[C@@H](CC1CCCCC1)C(=O)N(C)CC#N 358186470 QXFZFKKZJCCANU-NSHDSACASA-N 222.332 2.575 30 20 BFED C=CC[C@@H](C)[C@@H](C)NCCc1ncc(C)cn1 358369901 RGISQSBUMPTDTJ-CHWSQXEVSA-N 233.359 2.518 30 20 BFED C=C(C)Cn1c(C(C)C)nnc1N(C)C1CC1 358833052 RKTCXVVXOGBUOT-UHFFFAOYSA-N 234.347 2.576 30 20 BFED C=CCCS(=O)(=O)N(CC)CC(CC)CC 360181957 TUQPFHVKZUVJCW-UHFFFAOYSA-N 247.404 2.650 30 20 BFED CCc1cnccc1[C@H](C)NCCCCC#N 361130828 HGARUWOCDMKNMA-LBPRGKRZSA-N 231.343 2.988 30 20 BFED CN(Cc1cc(C#N)n(C)c1)Cc1cccs1 361502267 VXVOIOZSCRCJQV-UHFFFAOYSA-N 245.351 2.590 30 20 BFED C=CC(C)(C)CNC(=O)c1ccc(C)cc1O 384857178 NEWDUXFZQYSVGO-UHFFFAOYSA-N 233.311 2.643 30 20 BFED CO[C@@H](C1CC1)[C@H](C)Nc1ccc(C#N)cc1 388271564 GLLPGSVUACLINU-IINYFYTJSA-N 230.311 2.784 30 20 BFED C=C[C@H](COC)N[C@@H]1CC[C@H](C)[C@H](C)C1 389950816 SDEWHFFWRDIHSG-UMSGYPCISA-N 211.349 2.602 30 20 BFED CC(F)(F)CC(=O)N[C@@H](C#N)C1CCCCC1 393304617 STGXMIBGBXCOSF-JTQLQIEISA-N 244.285 2.620 30 20 BFED C#C[C@@](C)(CC)NCCCCC1CCOCC1 395145374 LCBLYCDPOYLDFT-HNNXBMFYSA-N 237.387 2.975 30 20 BFED C=C(C)CCNCc1cn(C)nc1C(C)(C)C 395339499 XIHRGFNACHYTDV-UHFFFAOYSA-N 235.375 2.773 30 20 BFED CC(C)(C)C(C)(C)CN=c1cc[nH]cc1C#N 399425704 GKGZFZCAEXBTNJ-UHFFFAOYSA-N 231.343 2.859 30 20 BFED CCC[C@H](C#N)N(C)C(=O)C(CC)CC 410827865 MGCLYUFZHFEDTF-LLVKDONJSA-N 210.321 2.573 30 20 BFED C=CCCCCNC(=O)N[C@@H]1CS[C@@H](C)C1 413461362 USEIRTXGJQYTKQ-QWRGUYRKSA-N 242.388 2.536 30 20 BFED C=CC(C)(C)CNC(=O)N[C@@H]1C[C@H]1c1ccco1 413596611 UYCFZGWQLPHKTM-GHMZBOCLSA-N 248.326 2.647 30 20 BFED C[C@@H](CC(F)F)C(=O)Nc1ccccc1C#N 414674931 SKXZEQLCBYACLL-QMMMGPOBSA-N 238.237 2.788 30 20 BFED C=C(C)CNC(=O)N1CC[C@H](C2CCCC2)C1 420832216 KEYLVDFHWJGVOC-ZDUSSCGKSA-N 236.359 2.784 30 20 BFED CC[C@H]1CCC[C@@H]1C(=O)N(CC)CCC#N 448770535 KSCHAKVKUMRYEQ-RYUDHWBXSA-N 222.332 2.575 30 20 BFED C=CCCCC[C@H](C)NCC1([S@@](C)=O)CC1 449307206 YQXHUMULQRLXGB-BLLLJJGKSA-N 243.416 2.622 30 20 BFED C=CC[C@H](C)[C@H](C)NCC[C@H](C)CCO 449359982 SKGFKLAFKBYBNR-AVGNSLFASA-N 213.365 2.585 30 20 BFED C=CCOc1cccc(CNC(CF)CF)c1 449373221 PTCRRQRMXYLWSH-UHFFFAOYSA-N 241.281 2.649 30 20 BFED C=C[C@@H]1OCCC[C@H]1NCc1ccc(F)c(C)c1 449547198 HDSPNYNAUWOXTP-CABCVRRESA-N 249.329 2.957 30 20 BFED CCn1ccnc1[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 449562973 PTWOFUOGZUUHOT-XQQFMLRXSA-N 246.358 2.636 30 20 BFED C=CC(C)(C)C(=O)NC[C@@H]1CCCCS1 450542267 GUVRCTNKYCUCGC-JTQLQIEISA-N 227.373 2.601 30 20 BFED C=CCn1c(C)nnc1SCC1(C#N)CCC1 450644803 DYWRANFLUWSKAA-UHFFFAOYSA-N 248.355 2.559 30 20 BFED C=CC(C)(C)CNS(=O)(=O)C[C@@H](C)CCC 451809990 KBLNRGZYNFQQAO-NSHDSACASA-N 247.404 2.554 30 20 BFED C=CC(C)(C)CNC(=O)[C@H]1CC12CCCC2 452774504 LSRUUCRFHWVXNQ-LLVKDONJSA-N 221.344 2.895 30 20 BFED C=C(CC)CNC(=O)c1ccc2c(c1)CCC2 453009875 GTMLLACPJBGUEN-UHFFFAOYSA-N 229.323 2.871 30 20 BFED C=C(CC)CNC(=O)C[C@H]1CC[C@@H](C)C1 456809935 DAPZDOGAOJZMEG-NEPJUHHUSA-N 209.333 2.895 30 20 BFED C=CCN(CC=C)C(=O)N[C@H]1C[C@@]1(C)C(C)C 459238814 DOLMDGKUUSMVHD-JSGCOSHPSA-N 236.359 2.805 30 20 BFED CCC[C@@H]1C[C@H]1C(=O)N(C)c1ccc(C#N)cc1 463957923 LCHKUAHASZPDAI-TZMCWYRMSA-N 242.322 2.957 30 20 BFED C#C[C@H](CCC)NC(=O)[C@@H](C)c1ccccc1F 491751972 VILTVNWUDNMQQJ-NWDGAFQWSA-N 247.313 2.847 30 20 BFED C#C[C@H](CCC)NC(=N)Nc1cccc(CC)c1 491754535 TWKOPFBIKQIXFQ-CYBMUJFWSA-N 243.354 2.987 30 20 BFED C=C(CC)CN1CCC[C@@H]1[C@@H]1CCCOC1 519603591 WZYPKPPULAFJOO-ZIAGYGMSSA-N 223.360 2.844 30 20 BFED C=CCCCCN1CCO[C@H](CCC)C1 564632561 WTNPGCRYOGHYIY-CYBMUJFWSA-N 211.349 2.844 30 20 BFED CC[C@H](Cc1ccccc1)C(=O)N(C)[C@H](C)C#N 567331022 JKHCIYLMVFFHFN-TZMCWYRMSA-N 244.338 2.626 30 20 BFED N#Cc1ccnc(SCc2cccc(N)c2)c1 583002924 ZMROXBWMMOQUFX-UHFFFAOYSA-N 241.319 2.828 30 20 BFED N#CC[C@@H](O)CS[C@H]1CCc2ccccc2C1 583883058 DRBLKJAZQCSMMP-KGLIPLIRSA-N 247.363 2.552 30 20 BFED C=CCCC(=O)N(C)c1ccc(OC)c(OC)c1 588034968 ZSZHILRLJUJONL-UHFFFAOYSA-N 249.310 2.633 30 20 BFED N#CCCCCCC(=O)N(CC(F)F)C1CC1 588653434 VOUIHOOXWLYIMP-UHFFFAOYSA-N 244.285 2.717 30 20 BFED N#C[C@@]1(F)CCN(Cc2ccc3occc3c2)C1 589175253 XRSMWOWACISUOZ-AWEZNQCLSA-N 244.269 2.870 30 20 BFED COc1cc(C)cc(NCCC#N)c1C 591776911 HNJKODZEMBUQIR-UHFFFAOYSA-N 204.273 2.638 30 20 BFED CC[C@H](C)C[C@H](CO)NCC(C)(C)CCC#N 592375604 WDUHKFCYPNSGEI-QWHCGFSZSA-N 240.391 2.703 30 20 BFED CC(C)C[C@H](C)CC(=O)N(C1CC1)[C@H](C)C#N 598131539 ZLUWSGLNISKDPA-NWDGAFQWSA-N 236.359 2.962 30 20 BFED N#Cc1cccc(-c2cnc3n2CCCC3)c1 600845191 JUYYHWDFEHKQFK-UHFFFAOYSA-N 223.279 2.758 30 20 BFED Cc1cc(CN(CCC#N)C(C)C)sn1 602450366 VBPZJGOLHDXPTI-UHFFFAOYSA-N 223.345 2.576 30 20 BFED CC[C@H](C)[C@@H](CN1CCC(C)(C#N)CC1)OC 602606321 OXRSIPXYPZAZFB-QWHCGFSZSA-N 238.375 2.673 30 20 BFED C=C[C@@](C)(CCOC)C(=O)NCC[C@H](C)CC 617639398 FIOLJTGHHFLQHY-OCCSQVGLSA-N 241.375 2.768 30 20 BFED C=CC[C@H]1CCCN(C(=O)c2cncc(C)c2)C1 617783012 RISHYFMNKLRJEN-ZDUSSCGKSA-N 244.338 2.818 30 20 BFED C=CC(C)(C)C(=O)N(C)C[C@H]1CC1(C)C 621045865 VFCGAMCGLCPIBY-SNVBAGLBSA-N 209.333 2.703 30 20 BFED C=CCCCCOc1ccc2c(c1)CC(=O)N2C 642275585 SJJVYRNFYSGBKN-UHFFFAOYSA-N 245.322 2.941 30 20 BFED C=C(C)CCNC(=O)N(C)Cc1ccsc1 653055256 KRSVQCPRTVSMNS-UHFFFAOYSA-N 238.356 2.856 30 20 BFED C=CCCNCc1cnc2ccc(Cl)cn12 657582998 ROLACJPTXXNMRN-UHFFFAOYSA-N 235.718 2.653 30 20 BFED C=CC[C@H]1CCCC[C@H]1NCc1nncn1CC 657837456 GHSKOEYSPIJDLV-QWHCGFSZSA-N 248.374 2.523 30 20 BFED C=C(C)CNc1cc(F)c(F)cc1NC(C)=O 725796193 OPZHVWRRQVRGRA-UHFFFAOYSA-N 240.253 2.911 30 20 BFED C[C@@H](C#N)OC(=O)/C=C\Sc1ccccc1 730037231 PNZNUYQWRMJEGW-DMEOUFDRSA-N 233.292 2.748 30 20 BFED C=C1CCN(C(=O)C=C2CCCC2)CC1 731197618 XOMOXRDZBKCLKQ-UHFFFAOYSA-N 205.301 2.665 30 20 BFED CC#CCOC(=O)c1ccc(C(C)C)cc1O 744826297 OXPWFMCTBQJFNE-UHFFFAOYSA-N 232.279 2.696 30 20 BFED Clc1ccc(C=NOC[C@@H]2CCOC2)cc1 747828105 QNAJCIUXZHKQFO-LLVKDONJSA-N 239.702 2.727 30 20 BFED C=CCCCC(=O)OCC(=O)C1CCCC1 748235772 OFBYIHFSCDICLG-UHFFFAOYSA-N 224.300 2.645 30 20 BFED COCCON=C(C)c1cc(C)cc(C)c1 748789889 PNPHGTLRRWSUAT-UHFFFAOYSA-N 221.300 2.690 30 20 BFED C=CCNC(=S)N[C@H]1CCC(C)(C)C[C@H]1C 749003480 PIPXJBQUYFDCGD-MNOVXSKESA-N 240.416 2.851 30 20 BFED COc1ccc(C=NOCC(C)C)cc1F 749631149 IJAHZPNVLNRLRD-UHFFFAOYSA-N 225.263 2.841 30 20 BFED CC[C@H](C#N)OC(=O)/C=C1\CC[C@H](C)C1 753811088 QWIDMDGRAAFLKX-YZMGIVQGSA-N 207.273 2.578 30 20 BFED C#C[C@H](CC)NC(=O)/C=C(\C)c1ccccc1 754375283 XMRMPMFNTGZRCF-GCZGRYASSA-N 227.307 2.618 30 20 BFED Cc1ccccc1C=NO[C@H]1CCCCO1 755824372 QDNLGYSRGTULLF-ZDUSSCGKSA-N 219.284 2.872 30 20 BFED Cc1ccc(NN=C2CC(C)(C)OC2(C)C)nn1 755893358 MPCAFKCITPGUST-UHFFFAOYSA-N 248.330 2.530 30 20 BFED CC#CCCOC(=O)[C@@H](C)SCCCC 760289351 IWHMDDKYJRSASK-LLVKDONJSA-N 228.357 2.865 30 20 BFED C=CCC[C@H](O)CN(CC)c1ccc(OC)cc1 760828130 DSMYAYXBNRLVJZ-AWEZNQCLSA-N 249.354 2.849 30 20 BFED CC(=NNC1CCCC1)c1occc1C 767781937 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CC(C)[C@H]1CC(=NOC/C=C/Cl)CCO1 811672105 QBQPQOLUGNZJDT-UFFPTBBJSA-N 231.723 2.947 30 20 BFED C#CCONC(=O)c1csc2cc(C)ccc12 812787370 PAPQLKUQXTVYBK-UHFFFAOYSA-N 245.303 2.504 30 20 BFED Cc1cc(C=NOCCC2CC2)c(C)[nH]1 814245820 JLIDDJGZXBYVRJ-UHFFFAOYSA-N 206.289 2.782 30 20 BFED CC1(C=NNc2ccc(Cl)cc2)COC1 814683711 MRXOARZIQMGYTK-UHFFFAOYSA-N 224.691 2.774 30 20 BFED Cc1ccc(NN=C2CC[C@H](C)C2)nc1 814831520 FONHVJBKZFJSIK-VIFPVBQESA-N 203.289 2.978 30 20 BFED CC(=NNc1ccc(F)cc1C)c1cc[nH]n1 814885178 QFOYSKMNWFHURY-UHFFFAOYSA-N 232.262 2.693 30 20 BFED CC(C)OC1CC(=NOCCC(F)(F)F)C1 814910542 WSHUXAXYZWJYSR-UHFFFAOYSA-N 239.237 2.899 30 20 BFED C=CCC(F)(F)C(=O)N1C[C@H](C)S[C@H](C)C1 815712725 YOJXZAHDJIKIFK-DTORHVGOSA-N 249.326 2.550 30 20 BFED C=CCC(F)(F)C(=O)NCCC1CCC1 815778491 UBHNXLUUYBIGAR-UHFFFAOYSA-N 217.259 2.504 30 20 BFED C#CCCCCNC(=O)c1ccn(C(C)C)c1C 815786815 MDTKSDYZITZHNO-UHFFFAOYSA-N 246.354 2.911 30 20 BFED CC[C@@H](CC#N)OC(=O)c1cccc(F)c1C 817730332 NHPNIEKJJVXKHQ-JTQLQIEISA-N 235.258 2.983 30 20 BFED CC(=NN[C@H](C)c1ccncc1)[C@@H]1CCCOC1 819816786 OZDVUIZYGJTIKB-BXUZGUMPSA-N 247.342 2.535 30 20 BFED C#C[C@@H](C)NCc1ccccc1OCC(C)C 824364191 VZWBMJYNFINOKN-CYBMUJFWSA-N 231.339 2.833 30 20 BFED C=C[C@H](C)NC(=O)C[C@]1(C)CC1(Cl)Cl 826854737 QOPRRCIKKNOMAA-IONNQARKSA-N 236.142 2.651 30 20 BFED C#Cc1cnc(N2CCCCCCCC2)nc1 829083317 KREUEYKRNCMXGX-UHFFFAOYSA-N 229.327 2.619 30 20 BFED C#CC1CCN(CCc2ccccc2F)CC1 830345569 IWFBWQYRZULNEX-UHFFFAOYSA-N 231.314 2.713 30 20 BFED C#CCCN(CC1CC1)c1ccc(OC)cc1 831587531 DEWIKWRRCNBQFL-UHFFFAOYSA-N 229.323 2.935 30 20 BFED CCn1cccc1C=NOCCC(F)(F)F 834972354 NNTONWTWFSCFOO-UHFFFAOYSA-N 234.221 2.811 30 20 BFED COCC1CCC(=NOCCSC)CC1 834975317 GGHCUSLPOYKVNA-UHFFFAOYSA-N 231.361 2.559 30 20 BFED C=CC(C)(C)C(=O)OCCCCC(C)(C)O 835432077 WYHAJRVKEZVPNB-UHFFFAOYSA-N 228.332 2.683 30 20 BFED C=CCOCCCC(=O)OCC(C)(C)C=C 835724968 UJJXXRKGJSDOID-UHFFFAOYSA-N 226.316 2.725 30 20 BFED C#CCNC(=O)N1CC2(CCCCC2)[C@H]1C(C)C 837361934 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30 20 BFED C=CCCOC(=O)[C@@H]1CCc2cc(F)ccc21 850269591 PPFKHEINIIYMOA-CYBMUJFWSA-N 234.270 2.975 30 20 BFED C=CC(C)(C)CCOC(=O)[C@H]1CCSC1 851299716 WEWFAHNGNYXVQK-JTQLQIEISA-N 228.357 2.885 30 20 BFED C#CC1CCN(CCCC2CCC2)CC1 852207673 MOUZTTJFTIKPJO-UHFFFAOYSA-N 205.345 2.912 30 20 BFED CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(CF)cc1 854530810 BIJTYXZPLJPWTJ-AWEZNQCLSA-N 246.285 2.578 30 20 BFED CC(C)C#CC(=O)N[C@@H](C)[C@@H]1CCC[C@H](C)C1 854895173 OUVFNYATXZEDHV-MELADBBJSA-N 235.371 2.977 30 20 BFED C=CCC1(NC(=O)C#CC(C)C)CCCC1 855928075 FXZSWDKWWDKLMX-UHFFFAOYSA-N 219.328 2.651 30 20 BFED C=CCCONC(=O)[C@H](CCC)C(C)C 856034957 YOVZAKWHLNRMKW-LLVKDONJSA-N 213.321 2.683 30 20 BFED C=CCC1(C(=O)NOCC2CCC2)CCC1 856350409 JIAROLLOEKCJIV-UHFFFAOYSA-N 223.316 2.581 30 20 BFED C#CCN(C(=O)/C=C(\C)c1cccs1)C1CC1 857180323 YWNXOKODUHDNEC-ZHACJKMWSA-N 245.347 2.776 30 20 BFED C#CCN(C(=O)OCc1ccccc1C)C1CC1 859109976 XBALRQVICBDQID-UHFFFAOYSA-N 243.306 2.729 30 20 BFED C=C(CNC(=O)OCCC)c1ccccc1 859161077 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2.721 30 20 BFED C=CCCOCCN[C@@H](CCC=C)C1CC1 271579579 WTAMUEXJFCDYHO-AWEZNQCLSA-N 223.360 2.914 30 20 BFED COC[C@H](C#N)Nc1cccc(SC)c1C 273316261 DJJQIXZNTJQLCX-JTQLQIEISA-N 236.340 2.667 30 20 BFED N#Cc1ccncc1NCCC[C@@H]1CCCCO1 273984777 QWSSPEVEBLTRCL-ZDUSSCGKSA-N 245.326 2.714 30 20 BFED C#CCN(Cc1cc(F)cc(F)c1)C1CC1 274145467 RQXWJBIEMVHOEL-UHFFFAOYSA-N 221.250 2.562 30 20 BFED CC1(C)CCCN(Cc2cccnc2)[C@@H]1C#N 277637490 BVVLOCMKZBEREO-CYBMUJFWSA-N 229.327 2.596 30 20 BFED CCCCCCCn1cnc2[nH]ccc2c1=O 278231920 JSNXWNUSXRWDBZ-UHFFFAOYSA-N 233.315 2.695 30 20 BFED C=CC[C@H](CC)NC(=O)c1scnc1C 281046266 JRRPBUTWQGPOET-VIFPVBQESA-N 224.329 2.536 30 20 BFED C=CC[C@H](CC)NC(=O)Cc1ccc(F)cc1 281281621 HVIWERSETHYEQG-ZDUSSCGKSA-N 235.302 2.839 30 20 BFED C=CCCCCCN(C)C(=O)/C=C/c1c[nH]cn1 284100797 TVJQLLOAWVAICL-CMDGGOBGSA-N 247.342 2.628 30 20 BFED CC[C@@](C)(C#N)C(=O)Nc1ccc(C)cc1O 284827215 AUWNFKBKKMJJIU-ZDUSSCGKSA-N 232.283 2.579 30 20 BFED C=CCCN(C)c1nc(Cl)c(C#N)s1 286609397 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211.349 2.701 30 20 BFED C=CCCn1ccc2cc(OC)c(F)cc2c1=O 339027005 IRGOHERIZHSAOY-UHFFFAOYSA-N 247.269 2.725 30 20 BFED CC#CCN(C)CCO[C@@H]1CCCC[C@@H]1C 339755289 FLRCOGXUOLUNPC-UONOGXRCSA-N 223.360 2.537 30 20 BFED N#Cc1ccc(N[C@@H]2CC[C@H](F)C2)c([N+](=O)[O-])c1 340942370 DQAMTSWHSOXJEX-VHSXEESVSA-N 249.245 2.769 30 20 BFED CC#CCN(C)C(=O)c1ccc(C(F)F)cc1 341054912 VYXUEYLPAKRWMW-UHFFFAOYSA-N 237.249 2.720 30 20 BFED COCC1(C#N)CCN(C[C@@H]2CC=CCC2)CC1 342819362 APCJKHGKQLJLOG-CQSZACIVSA-N 248.370 2.595 30 20 BFED CC(C)N(Cc1cccc(F)c1)C(=O)[C@H](C)C#N 344265663 VCZLDAUSGQFJIM-LLVKDONJSA-N 248.301 2.722 30 20 BFED N#CCCCCn1nc(C#N)c2ccccc21 344737066 RKNKLMSKGMYHFO-UHFFFAOYSA-N 224.267 2.602 30 20 BFED C=CCN(C(=O)[C@@H]1CC2CCC1CC2)C1CC1 345218053 YDGDFZJJPNVJIT-ORHYLEIMSA-N 233.355 2.990 30 20 BFED C=CC[C@H](CC)NC(=O)N[C@@H]1CCC1(C)C 346169419 UWUVDKMGHDPZKF-WDEREUQCSA-N 224.348 2.829 30 20 BFED C=CCOCCCN1CC[C@H](C)[C@@H]1CC 348055183 OXSVQTIYWIOIQI-STQMWFEESA-N 211.349 2.700 30 20 BFED 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224.392 2.838 30 20 BFED C[C@@H]1CCN(C(=O)NCCCCC#N)[C@H](C)C1 425440775 HKMGDQYZVWWNRH-VXGBXAGGSA-N 237.347 2.510 30 20 BFED CC(C)[C@H]1CCCN(c2ccc(C#N)nc2)C1 443981869 BDTQJFSLVQDMJG-LBPRGKRZSA-N 229.327 2.826 30 20 BFED C=CCN1CCC(N[C@H]2CCCC23CCC3)CC1 449122232 KVTDMSJOOFLXST-HNNXBMFYSA-N 248.414 2.949 30 20 BFED C=CC[C@H](CO)CN[C@H](C)[C@H]1CCCC[C@H]1C 449201417 GYIZMAZVGPXAAB-KBXIAJHMSA-N 239.403 2.975 30 20 BFED CCCc1cnc(NC(=O)[C@]2(C#N)C[C@H]2C)s1 450438015 UFXODCJZODNXDF-PELKAZGASA-N 249.339 2.584 30 20 BFED Cc1ccc(C#N)c(NC[C@@H]2C[C@H]2C(C)C)n1 450804194 AOSXCZFAUIOBPO-STQMWFEESA-N 229.327 2.966 30 20 BFED C=C(C)CCNC(=O)c1scnc1C(C)C 452746861 ZXFPOQKHJMGQID-UHFFFAOYSA-N 238.356 2.963 30 20 BFED C=C(CC)CNC(=O)COc1ccc(CC)cc1 453007533 CSUCAPTUTKRIHN-UHFFFAOYSA-N 247.338 2.710 30 20 BFED C=C(CC)CNC(=O)c1cc(C(C)=O)cs1 456830982 RVTRLJFTILZDGH-UHFFFAOYSA-N 237.324 2.647 30 20 BFED C=CCN(CCOC)C(=O)CCCCC(C)C 457772083 WNAYWTWBVLGLCC-UHFFFAOYSA-N 241.375 2.864 30 20 BFED 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C=C[C@@H](C)NC(=O)/C=C/c1cccc(F)c1 757003294 AUBMTYMDZHNGLX-QROSGCPLSA-N 219.259 2.530 30 20 BFED CCC(=NOCc1ccccc1)c1ccn(C)n1 758104442 OOWRRJVGWQLXET-UHFFFAOYSA-N 243.310 2.751 30 20 BFED C[C@H]1CCCCC1=NNc1ncccc1[N+](=O)[O-] 759201301 LTOAAGRXQYLXAT-VIFPVBQESA-N 248.286 2.968 30 20 BFED N#Cc1cccc(COC(=O)[C@H]2CC23CCC3)c1 759841859 IGRSSYBYGYHIQW-CYBMUJFWSA-N 241.290 2.792 30 20 BFED C#CCCN(C)[C@@H]1C[C@@H](OC)C1(CC)CC 760859603 HXPLIJAYZPQLQY-CHWSQXEVSA-N 223.360 2.535 30 20 BFED Cc1cc(C=NOCc2cccnc2)c(C)o1 767900862 MYNOVXNAFCUANA-UHFFFAOYSA-N 230.267 2.842 30 20 BFED C#C[C@@H](C)NC(=O)[C@@H](C)CSc1ccccc1 772962599 NRAGBNWMQPLOEP-NWDGAFQWSA-N 247.363 2.553 30 20 BFED C#CCCCCC(=O)OCc1c(C)noc1C 773631408 WLGBAJDXGAJWCA-UHFFFAOYSA-N 235.283 2.528 30 20 BFED C#CCCCCC(=O)OCc1cccc(C#N)c1 773641735 TWMPXESRGLINQD-UHFFFAOYSA-N 241.290 2.795 30 20 BFED CCCCC(COC)=NNc1ccnc(F)c1 781128598 YDRMCIRQIPHDPN-UHFFFAOYSA-N 239.294 2.825 30 20 BFED C=CCOc1ccccc1C(=O)O[C@@H](C#N)CC 781155961 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30 20 BFED C[C@H]1CC=C(C(=O)OCC2(C#N)CCC2)CC1 835311737 UXPVSPKZPYMSPD-NSHDSACASA-N 233.311 2.970 30 20 BFED C=CC(C)(C)C(=O)OC[C@](C)(C=C)CCOC 835336043 CKNFZNWMZMKEET-CQSZACIVSA-N 240.343 2.971 30 20 BFED CC[C@@H](CC#N)OC(=O)Cc1cc(C)ccc1F 835340641 OTWDHROEIWPPGO-LBPRGKRZSA-N 249.285 2.912 30 20 BFED N#CCC1(OC(=O)CC2CC(F)(F)C2)CCC1 835399561 KSRMZDFXQHAFKF-UHFFFAOYSA-N 243.253 2.801 30 20 BFED C=CCC1(NC(=O)C[C@@H](C)OC)CCCCC1 836957877 YXRVNYBOLZPMKR-GFCCVEGCSA-N 239.359 2.807 30 20 BFED CCCN(CCC)C(=O)C#CC(C)(C)C 837307517 MMNBSVZNFSOFAK-UHFFFAOYSA-N 209.333 2.685 30 20 BFED CCCN(CC(C)C)C(=O)C#CC(C)(C)C 837334204 DRJBGZSZGSUMQK-UHFFFAOYSA-N 223.360 2.931 30 20 BFED CC(C)(C#N)CCOC(=O)C[C@@H]1CC[C@H]2C[C@H]12 838124425 RGHLYNNYMXFMGL-SRVKXCTJSA-N 235.327 2.906 30 20 BFED CCC(=NO[C@@H]1CCCCO1)[C@@H]1C[C@@H]1C 841632425 OBNAJUICFHPNMV-HOSYDEDBSA-N 211.305 2.952 30 20 BFED C=CCCCCn1ccnc1[C@H](O)c1ccco1 842041050 BCJYVCNKBNYGJF-CYBMUJFWSA-N 246.310 2.914 30 20 BFED 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NBNWSKGOXMDHBR-MGPQQGTHSA-N 225.376 2.872 30 20 BFED N#Cc1ccsc1NC(=O)N1CCC[C@@H]2C[C@H]21 931834597 FWQDTPNRWCAIHT-PSASIEDQSA-N 247.323 2.636 30 20 BFED C[C@@H](c1ccccc1)[C@H]1CCCN1CC#N 932279011 UJSIOVDQWWOCSG-GXTWGEPZSA-N 214.312 2.778 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@@H]1CC=CCC1 933183435 QDSOOUZCVPMJMU-NWDGAFQWSA-N 207.317 2.814 30 20 BFED C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]1CCC 933877513 SEUPHGAPKJLHJE-IJLUTSLNSA-N 209.333 2.894 30 20 BFED Cn1cnc2cc(C=NOC(C)(C)C)ccc21 1116404963 RRCWKBYUVLVICU-UHFFFAOYSA-N 231.299 2.722 30 20 BFED CCC1(CNC(=O)c2csc(C#N)c2)CC1 1117798662 ZVLLNXGODZNAJH-UHFFFAOYSA-N 234.324 2.540 30 20 BFED C=C(CC)C(=O)N1CCC[C@H]2C[C@H]1C2(C)C 1123920951 GDZOWDLOYZFEED-RYUDHWBXSA-N 221.344 2.990 30 20 BFED C=CC(C)(C)CC(=O)O[C@@H]1CCOC[C@H]1C 1263481921 VTPHMUVTRAAFCL-GHMZBOCLSA-N 226.316 2.557 30 20 BFED C=C[C@@H](C(=O)N(CC)CC)c1ccccc1 1263699548 SRAJXOJJYKFXEH-CYBMUJFWSA-N 217.312 2.825 30 20 BFED C=CCN(C(=O)CCc1cccc(O)c1)C(C)C 1263726349 DXHZSSIFLPIBTP-UHFFFAOYSA-N 247.338 2.748 30 20 BFED CC(=NOC1CCC1)c1ccc(CC(=O)O)cc1 1324247967 SVPLBKAFWKVYSJ-UHFFFAOYSA-N 247.294 2.607 30 20 BFED Cc1coc(C(=O)N(C)CC(C)(C)C#N)c1C 1326366901 GVNDUQKAAAUYFV-UHFFFAOYSA-N 234.299 2.518 30 20 BFED C=CC[C@@H]1N(C(=O)[C@@H]2C[C@H]2F)CCCC1(C)C 1340695163 VRYWJAYXKNBQHL-UTUOFQBUSA-N 239.334 2.938 30 20 BFED COc1ccc(C(=O)O[C@H](C#N)C(C)C)cc1C 1343209146 BBXZLKIYXCLPIT-CYBMUJFWSA-N 247.294 2.709 30 20 BFED C=C[C@@H](CC)OC(=O)c1cnn(CCC)c1C 1517746024 BRKPWAGIPRPOFT-NSHDSACASA-N 236.315 2.723 30 20 BFED N#Cc1ccc(F)c(NC(=O)c2ccco2)c1 1535451631 OZPUXKJAUWTJDP-UHFFFAOYSA-N 230.198 2.543 30 20 BFED C=C(CC)C(=O)N(Cc1cccnc1)C(C)C 1548627829 GXDBUUBMARMKKK-UHFFFAOYSA-N 232.327 2.785 30 20 BFED CCCCCCC[C@@H](C)CNC(=O)CC(=O)O 1595704847 JOHZAEPGXVNJJX-LLVKDONJSA-N 243.347 2.574 30 20 BFED C=C(C)CCCN1CCC[C@@]1(CC)C(=O)O 1776139254 WDCCJCLCKCNLIC-ZDUSSCGKSA-N 225.332 2.672 30 20 BFED CN(CCC#N)c1ccnc2ccccc12 41720092 BTAYLAATCMLECM-UHFFFAOYSA-N 211.268 2.585 30 20 BFED Cc1ccc(CN(CCC#N)C(C)C)o1 42251983 RNIPZTPOFBXFTI-UHFFFAOYSA-N 206.289 2.712 30 20 BFED C=CCSCC(=O)N(C)[C@H]1CCCC[C@H]1C 44479553 KSYNGCZXYGBDKF-NEPJUHHUSA-N 241.400 2.943 30 20 BFED CC[C@H](C#N)C(=O)Nc1nc(C2CC2)cs1 44825405 JGEHKPGNDKQQMQ-SSDOTTSWSA-N 235.312 2.509 30 20 BFED C#CCNc1cc(Br)ccc1C 50521874 AKPAATXBKUVIDY-UHFFFAOYSA-N 224.101 2.803 30 20 BFED CC(C)[C@@H](C)N(C)C(=O)Cc1ccc(C#N)cc1 70159183 OWQQXWCOKWDVMA-GFCCVEGCSA-N 244.338 2.604 30 20 BFED C#CCN(C)Cc1coc(-c2ccc(C)cc2)n1 72180510 GUGZMDDVBJCQBE-UHFFFAOYSA-N 240.306 2.715 30 20 BFED C[C@@H](NCCOc1ccc(C#N)cc1)C(C)(C)C 74317187 QBYSRKOLNMHIRT-GFCCVEGCSA-N 246.354 2.961 30 20 BFED CC(=O)c1cccc(OCC2(CC#N)CC2)c1 88255513 QALVTXKFQNTYHH-UHFFFAOYSA-N 229.279 2.962 30 20 BFED C=CCCC(=O)Nc1ccc(F)cc1OC 102227091 ZNLDHYPHJMKKSO-UHFFFAOYSA-N 223.247 2.739 30 20 BFED CCS[C@H](C(=O)N(CC)CCC#N)C(C)C 103210284 IZEGCLBDJIZVED-NSHDSACASA-N 242.388 2.526 30 20 BFED C[C@H]1C[C@H](c2ccccc2)CN1CCC#N 115553294 DGYXSPHMWRUQJQ-JSGCOSHPSA-N 214.312 2.778 30 20 BFED C=CCN(C)C(=O)NC[C@H]1CCc2ccccc21 119093768 LDRBILYGCQKYHQ-CYBMUJFWSA-N 244.338 2.544 30 20 BFED N#CCCCN1CCC[C@@H]1c1ccncc1 119875067 GXLISIGUPKYACV-CYBMUJFWSA-N 215.300 2.522 30 20 BFED CC#CCNC(=O)c1cc2c(C)cc(C)cc2[nH]1 121082517 HKJSKORADZLZQM-UHFFFAOYSA-N 240.306 2.538 30 20 BFED CC[C@@H](C(=O)N[C@H](C)CC#N)c1ccc(F)cc1 123129536 LRCQVQVWDWKNEV-ZWNOBZJWSA-N 248.301 2.738 30 20 BFED CCCCCCCC(=O)Nc1cnccn1 125538596 GBVSUGGEGBUGSC-UHFFFAOYSA-N 221.304 2.776 30 20 BFED CC[C@@H](C#N)OC(=O)c1cc(F)c(C)cc1F 127267749 QDWLEARFLUJFST-QMMMGPOBSA-N 239.221 2.732 30 20 BFED Cc1nsc(N[C@H]2CC[C@H](C)C2)c1C#N 128100933 MYMBPQWDGDERBO-CBAPKCEASA-N 221.329 2.924 30 20 BFED CCOC(=O)CCCCOc1ccc(C#N)cc1 128581312 QRHLHRBGEOFSQW-UHFFFAOYSA-N 247.294 2.670 30 20 BFED Cc1cccc(C)c1CCNC(=O)C(C)(C)C#N 129574354 PABKOSDAZPQSKB-UHFFFAOYSA-N 244.338 2.512 30 20 BFED C=C(C)COCCN[C@H]1CCC[C@@H](C)C1 131397764 ZVAFPPAYLFNOTG-OLZOCXBDSA-N 211.349 2.747 30 20 BFED CC#CCNC(=O)N[C@H](C)CCCC(C)C 134994737 VFYQJFRTLHRNSO-GFCCVEGCSA-N 224.348 2.524 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@H](SC)C1 135080912 OMCVMJONMFQBIX-NTZNESFSSA-N 241.400 2.989 30 20 BFED C=C[C@](C)(CC)C(=O)N1CCS[C@@H](CC)C1 135086671 BSUSWTHPAWDQNG-WCQYABFASA-N 241.400 2.943 30 20 BFED CSC[C@@H]1CCCN1Cc1cccc(C#N)c1 135430458 SQQNSBCNENFPDJ-AWEZNQCLSA-N 246.379 2.886 30 20 BFED O=C(C#Cc1ccccc1)O[C@H]1C=CCCC1 137766639 SBPAIUXCHVXWFU-AWEZNQCLSA-N 226.275 2.690 30 20 BFED C#CCSCCNCc1ccc(Cl)s1 152919766 YVXIYHGVGOLSTJ-UHFFFAOYSA-N 245.800 2.858 30 20 BFED CC(C)(C)C1CCC(CC(=O)NCC#N)CC1 158295472 BUXWSLJUDFMDAX-UHFFFAOYSA-N 236.359 2.869 30 20 BFED C=CCN(C)C(=O)c1cc(C)sc1C 161902636 SGMYDOJILPPAGZ-UHFFFAOYSA-N 209.314 2.623 30 20 BFED C#CCCCOC(=O)[C@@H](C)SCCCC 170711046 LBVPDYVORJZYGJ-LLVKDONJSA-N 228.357 2.865 30 20 BFED C=CCCCN(C)[C@H](C(=O)OC)c1ccccc1 172420260 PBUPOEZJMXRJTO-AWEZNQCLSA-N 247.338 2.799 30 20 BFED C=CCOC(=O)[C@@H](C)c1cccc(F)c1 174029500 YCUBQRKRVKKUER-VIFPVBQESA-N 208.232 2.658 30 20 BFED C=CCCCC(=O)N(C)[C@H](C)c1ccccn1 175462365 IDSNDBIGWGAIIU-GFCCVEGCSA-N 232.327 2.957 30 20 BFED C#CCCCNc1ncnc2cccc(C)c12 176809821 BNFOZKPWFMIBAC-UHFFFAOYSA-N 225.295 2.764 30 20 BFED C#CCCCN[C@@H](C)c1ccc(OC)cc1OC 178060398 BUXUMLJRHTYWNL-LBPRGKRZSA-N 247.338 2.768 30 20 BFED Oc1ccc2ccccc2c1/C=N/[C@@H]1CCOC1 178885852 GWUFBDOGOFTBPR-GFQQVXNGSA-N 241.290 2.753 30 20 BFED CC[C@@H](C)OCC(=O)Nc1cccc(C#N)c1C 179046793 ZAZUXMSEYDBQNW-SNVBAGLBSA-N 246.310 2.620 30 20 BFED C#CCN[C@@H](CC)C(C)(C)c1ccccc1 180007346 VAYKXOPGKGZOLX-AWEZNQCLSA-N 215.340 2.966 30 20 BFED C=C(C)CN(C)C(=O)CCc1ccccc1 180452603 WNOAYWOWBMPLMS-UHFFFAOYSA-N 217.312 2.654 30 20 BFED CC[C@H](CC#N)Nc1cnc2ccccc2n1 184153499 HINOSLWSHWSJRK-SNVBAGLBSA-N 226.283 2.734 30 20 BFED C#CCCCCC(=O)N1CCCC[C@H](C)C1 184366499 RXONIOKHRFKTPW-ZDUSSCGKSA-N 221.344 2.829 30 20 BFED C[C@@H](CCC#N)Sc1nncn1C(C)(C)C 188309913 GLZTYGZXLAYGSW-VIFPVBQESA-N 238.360 2.817 30 20 BFED C=CCC1(C(=O)NCCC2CC2)CCC1 188346802 MYXZXVVDKJMWJU-UHFFFAOYSA-N 207.317 2.649 30 20 BFED CCCCCCCN1CC[C@@H](O)[C@@H](C)C1 229573685 MZVLZAXDYKDJNE-QWHCGFSZSA-N 213.365 2.660 30 20 BFED C#CCCCCNc1cc(C)c([N+](=O)[O-])cn1 229739254 MESSPTHYMZPNTH-UHFFFAOYSA-N 233.271 2.514 30 20 BFED C#C[C@H](CC)N[C@H]1CCc2ccc(OC)cc2C1 229901788 IYRULDKKTGWSMK-CABCVRRESA-N 243.350 2.554 30 20 BFED Cc1cccc(-c2noc(CSCC#N)n2)c1 230958204 WGYOOSIXIWIOFM-UHFFFAOYSA-N 245.307 2.802 30 20 BFED C[C@@H]1C[C@@H]1c1noc(-c2ccc(C#N)cc2)n1 230999452 KMAZFHCLSHYBLM-KCJUWKMLSA-N 225.251 2.732 30 20 BFED C[C@H]1CCCC[C@@H]1CNc1nccc(C#N)n1 231899525 YERNMULUUDQVGI-WDEREUQCSA-N 230.315 2.586 30 20 BFED CSC[C@@H](C)Nc1nc(Cl)c(C#N)s1 235042175 LKHFYUYMMLULKB-RXMQYKEDSA-N 247.776 2.832 30 20 BFED C(=NNc1nc2ccccc2s1)[C@H]1CCOC1 254656136 FISFFPZUTSJSBV-SECBINFHSA-N 247.323 2.731 30 20 BFED CON=Cc1ccc(C(=O)OC2CCCC2)cc1 255673757 GELFMWROEUXZOY-UHFFFAOYSA-N 247.294 2.766 30 20 BFED N#CC1(CNC2CCCCCC2)CCC1 258717622 SYRZEWDXIDJJKN-UHFFFAOYSA-N 206.333 2.993 30 20 BFED N#CCCCCNC(=O)C=C1CCCCC1 264011979 CEKLZFZVFSZVHT-UHFFFAOYSA-N 220.316 2.687 30 20 BFED CN(C(=O)[C@H]1CC=CCC1)c1ccccc1C#N 268713417 FCLKRHCCSBZDRL-LBPRGKRZSA-N 240.306 2.877 30 20 BFED C#CCN(CC)Cc1c[nH]nc1-c1ccccc1 271113765 AOOQYRVNTPQZNB-UHFFFAOYSA-N 239.322 2.532 30 20 BFED Cc1ccc(CN(C)C[C@H](C)C#N)s1 271119316 HDXHKWIEAGMQPM-SECBINFHSA-N 208.330 2.648 30 20 BFED CCc1cccc(C)c1NC(=O)NCCCC#N 273176424 IRBUVWHGIZVAMB-UHFFFAOYSA-N 245.326 2.983 30 20 BFED C=C(C)CN(CC)Cc1cn(C)nc1C(F)F 274440737 BSPYOQUCMNDNIY-UHFFFAOYSA-N 243.301 2.756 30 20 BFED C=C(C)CCN(CCC#N)Cc1ccccn1 274803169 RSZPFXKGIPAWPX-UHFFFAOYSA-N 229.327 2.763 30 20 BFED C#CCCCC(=O)N[C@@H]1C[C@H]1Cc1ccccc1 277304061 VUWBSEDSYIBHKH-HUUCEWRRSA-N 241.334 2.537 30 20 BFED C#CCCCC(=O)N1CC=C(C(C)(C)C)CC1 277469902 ZAOHNBZYTUIORU-UHFFFAOYSA-N 233.355 2.995 30 20 BFED C#CCCCCC(=O)N1CCCC(C)(C)[C@@H]1C#N 277572324 AVEHAPWPWZKCBI-ZDUSSCGKSA-N 246.354 2.721 30 20 BFED Cc1noc(-c2ccc(C(C)(C)C#N)cc2)n1 280255596 JGXHQCGKANKZRY-UHFFFAOYSA-N 227.267 2.846 30 20 BFED C=CCCC/N=C(\N)Nc1ccc(C)c(C)c1 280737911 WBCVELKUJFKMLD-UHFFFAOYSA-N 231.343 2.996 30 20 BFED C=CC[C@H](CC)NC(=O)c1cccc(F)c1 280983821 BQGDNVPZOOMVSH-LBPRGKRZSA-N 221.275 2.910 30 20 BFED C=CC[C@H](CC)NC(=O)c1cn(C)nc1C(C)C 281224968 DOTOYTUFRCDUPH-NSHDSACASA-N 249.358 2.628 30 20 BFED COc1cc(CN2CC[C@H](C)[C@@H]2C)ccc1C#N 282187864 GBNMYXSHSZQIEQ-RYUDHWBXSA-N 244.338 2.797 30 20 BFED CC(C)CNC(=O)c1cc(C#N)ccc1Cl 285604048 CCEUYEHFYQCVPE-UHFFFAOYSA-N 236.702 2.597 30 20 BFED C#CCCCc1nc(-c2cc(C)oc2C)no1 288979344 FKDUKDNVSFHHIQ-UHFFFAOYSA-N 230.267 2.902 30 20 BFED C=CCCCC(=O)Nc1nc(C)cc(C2CC2)n1 291375807 BYDDERKNMVIAAC-UHFFFAOYSA-N 245.326 2.957 30 20 BFED N#Cc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1F 291451820 IJEYBVJGZZENQO-SNVBAGLBSA-N 244.269 2.992 30 20 BFED CCC1(C)CN(C(=O)Nc2ccc(C#N)cc2)C1 291849619 JNWZRNZRWREDBP-UHFFFAOYSA-N 243.310 2.822 30 20 BFED C=CC(C)(C)c1nc(-c2ccc(C)nc2)no1 295898194 IMZMDDQAZSIRAC-UHFFFAOYSA-N 229.283 2.904 30 20 BFED C=CC[C@H](CC)N[C@@H]1C[C@@H](C)n2ccnc21 296442655 MTXCRFLGYKMMRA-GRYCIOLGSA-N 219.332 2.833 30 20 BFED C=CCNC(=O)N1CCC[C@@H]1c1cccs1 298622103 SFWLUWSYLMRYFS-SNVBAGLBSA-N 236.340 2.781 30 20 BFED C=C(C)CN(CC)C(=O)c1cncnc1C(C)C 298764838 RYHZKUJXHZNJNQ-UHFFFAOYSA-N 247.342 2.638 30 20 BFED C[C@@H](CCC#N)N(C)C[C@@H](C)c1nccs1 298836084 HOJCEWWEFSISAW-MNOVXSKESA-N 237.372 2.871 30 20 BFED N#Cc1cc(F)ccc1N[C@@H]1C[C@@H]2OCCC[C@H]21 302583258 UIPFOJJHYWVQCI-YUTCNCBUSA-N 246.285 2.677 30 20 BFED C=C(Cl)CN[C@@H]1CCC[C@@H]1CCOC 308529846 RMFJAEAAHAVKQL-GHMZBOCLSA-N 217.740 2.534 30 20 BFED C#C[C@H](NCC1(SC)CCC1)C(C)C 308558986 UXFMDBQTZDSFOR-NSHDSACASA-N 211.374 2.520 30 20 BFED CCc1ccccc1Nc1ccnc(C#N)n1 310253220 KSSBIVWFDCBOHD-UHFFFAOYSA-N 224.267 2.654 30 20 BFED CC(C)C[C@H](C)CC(=O)N[C@@H]1CCC[C@@H]1C#N 331108374 RUCJIFHKIHOTDH-YNEHKIRRSA-N 236.359 2.867 30 20 BFED Cc1cc(C)cc([C@@H](C)N/C(O)=N/CCC#N)c1 331145950 MFNAWEWGLODLJE-GFCCVEGCSA-N 245.326 2.782 30 20 BFED CC[C@H](SC)C(=O)N[C@@](C)(C#N)CC(C)C 332516560 PHHHHSDPQPRVFA-CMPLNLGQSA-N 242.388 2.573 30 20 BFED Cc1ccc(C#N)cc1NC(=O)Cc1ccco1 334944970 YMPJOMMFOUQSFW-UHFFFAOYSA-N 240.262 2.641 30 20 BFED CC1(C#N)CCC(NCc2ccc(F)cn2)CC1 335169906 JVFHHNJACGGKAA-UHFFFAOYSA-N 247.317 2.783 30 20 BFED N#C[C@H]1CC[C@H](NC2CCC(F)(F)CC2)C1 335620990 ZHESNWDVXXVSOA-ONGXEEELSA-N 228.286 2.846 30 20 BFED CCc1ccsc1C(=O)N[C@]1(C#N)CC1(C)C 336086613 NGYZXARZWWNKTB-ZDUSSCGKSA-N 248.351 2.733 30 20 BFED C=C(C)CN(C)C(=O)[C@]1(C)CCC[C@H]1C 336189299 NMASNNRLSJFKPT-DGCLKSJQSA-N 209.333 2.847 30 20 BFED C=CCn1cccc1C(=O)N1CC[C@H](C)[C@H]1C 336206576 DQDUJAZDBUSCSQ-NWDGAFQWSA-N 232.327 2.545 30 20 BFED C=C[C@H]1CCCCN1C(=O)CC1CC(F)(F)C1 336257926 BIRIONYTGRCRPH-NSHDSACASA-N 243.297 2.989 30 20 BFED N#Cc1ccc(/C=C/c2ncccc2C#N)cc1 336324048 OTZGHGIAORXQGA-BQYQJAHWSA-N 231.258 2.995 30 20 BFED C=CCn1cccc1C(=O)N1CCCC[C@H]1C 336463352 ASBVWBUJGOUQPE-GFCCVEGCSA-N 232.327 2.689 30 20 BFED C=C(C)COCCNC1CCC2(CC1)CC2 336687887 VKAWRCUPLCJRAH-UHFFFAOYSA-N 223.360 2.892 30 20 BFED C=CC[C@@H](CC)NC(=O)Nc1ccccn1 337255543 RTNLGWYDCXMZHY-SNVBAGLBSA-N 219.288 2.558 30 20 BFED CCCC[C@H](C)C(=O)N[C@](C)(C#N)C(C)C 337459944 LSRNPVADLKYKKO-WCQYABFASA-N 224.348 2.867 30 20 BFED C=CCC(C)(C)CN[C@@H]1CN(CC)C[C@@H]1C 339418573 WJLIGIYPWKZZPP-QWHCGFSZSA-N 224.392 2.519 30 20 BFED C[C@H](C#N)CN(C)C(=O)C(C)(C)C1CCCC1 339757521 UVXKREBIFHORBE-LLVKDONJSA-N 236.359 2.821 30 20 BFED C=C(C)C[C@H](C)C(=O)N[C@H]1CCC[C@H]1F 340834602 WZVSOLYNVXCAGD-AXFHLTTASA-N 213.296 2.596 30 20 BFED C=CCN(Cc1cccc(C#N)c1F)C1CC1 341139657 SKOUFDUBORECEF-UHFFFAOYSA-N 230.286 2.848 30 20 BFED CCC(CC)[C@H](C)C(=O)N(C)[C@H](C)CC#N 341557870 AWLFVKNZRQWDNT-MNOVXSKESA-N 224.348 2.819 30 20 BFED N#Cc1ccnc(NCC2Cc3ccccc3C2)c1 342422041 YULHEYDIPUIZMD-UHFFFAOYSA-N 249.317 2.780 30 20 BFED CC1(C)CN(CC2(C#N)CC2)c2ccccc2O1 343318327 GCCYQMBYLYDNHL-UHFFFAOYSA-N 242.322 2.968 30 20 BFED C=C[C@@H](C)NC(=O)NCC1(CCC)CCC1 344041338 YIBNQQKUGJXRCN-LLVKDONJSA-N 224.348 2.831 30 20 BFED C=CCCc1noc([C@@H](C)[C@H](C)COC)n1 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30 20 BFED C=CC[C@H]1CCCN(C(=O)CC2(C)CC2)C1 617779474 BJEMGRVNWROZSS-LBPRGKRZSA-N 221.344 2.991 30 20 BFED Cc1noc([C@@H](C)Oc2ccc(C#N)c(C)c2)n1 618064491 SYJWPQGKHJAWII-SECBINFHSA-N 243.266 2.698 30 20 BFED C=CCN(C(=O)Cc1ccc(C)o1)C(C)(C)C 622944984 NLGHILLWLJZJEK-UHFFFAOYSA-N 235.327 2.944 30 20 BFED C=C(CC)CN1CCc2c(O)cccc2C1 626028598 QJNKBMVXFKDSPN-UHFFFAOYSA-N 217.312 2.717 30 20 BFED C=C[C@H](C)NC(=O)c1cc(F)ccc1CC 631756661 SPXBPGCWJRRMDU-VIFPVBQESA-N 221.275 2.692 30 20 BFED C=CC(C)(C)CN[C@@H](C)Cc1ccnc(OC)c1 639229505 XMXSPTLWRWLMCE-LBPRGKRZSA-N 248.370 2.823 30 20 BFED C=CCC[C@H](O)CN(C)CCC(C)(C)C 646028035 YTKOBPJFRFJCIT-LBPRGKRZSA-N 213.365 2.682 30 20 BFED C=CCCN(C)c1nc(C2CC2)nc(C)c1OC 656181442 YTZATAHBSGYUAD-UHFFFAOYSA-N 247.342 2.683 30 20 BFED C=CC[C@H]1N(Cc2cn(C)cn2)CCCC1(C)C 660423656 TYJGHXFTPFKAIO-CQSZACIVSA-N 247.386 2.987 30 20 BFED C=CCCCCNC(=O)NC[C@H](C)C1CC1 681161592 CYKLAUJHEGFKGI-NSHDSACASA-N 224.348 2.688 30 20 BFED CC#CCN(C)Cc1ccc(C)c(F)c1 683045985 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C=CC[C@H](CO)CN[C@@H]1CCc2c(C)cccc21 341884040 JWBYHNHNVXXTKS-XJKSGUPXSA-N 245.366 2.757 30 20 BFED C=CC[C@@H](CC)N[C@H](C)Cc1cccc(OC)n1 343474172 XTMSMROQZUQRSH-CHWSQXEVSA-N 248.370 2.966 30 20 BFED C=C[C@](C)(CC)C(=O)NCCC(F)(F)F 344088268 RAVAVQVCNIXAIX-SECBINFHSA-N 223.238 2.657 30 20 BFED C=CCN1CCC[C@@H](N2[C@@H](C)CC[C@H]2C)C1 344585629 QMFNUTSJZRLGHD-HZSPNIEDSA-N 222.376 2.510 30 20 BFED CC(C)[C@H](C#N)NC(=O)C[C@@H](C)c1ccccc1 347288424 OEKXLVLKDYSAKO-OCCSQVGLSA-N 244.338 2.845 30 20 BFED N#Cc1cnccc1/C=C\c1ccn(C(F)F)n1 349103269 CPGWXSLUPCYZEY-UPHRSURJSA-N 246.220 2.715 30 20 BFED C=C[C@@H](C)NC(=O)c1cccn1C1CCCC1 351930105 DGCYWNRCXJUXNU-LLVKDONJSA-N 232.327 2.908 30 20 BFED C=CCCC1(C(=O)N[C@H]2CC2(C)C)CC1 354932239 QSDHPJPCIPPZLX-JTQLQIEISA-N 207.317 2.648 30 20 BFED N#CCCCCNC(=O)CCCC(F)(F)F 356016592 SQQUCMYXQOVNFH-UHFFFAOYSA-N 236.237 2.529 30 20 BFED C[C@H]1C[C@H](C)CC[C@@H]1NC[C@@H](C#N)CCC#N 360328327 FNIMFDBONKYLSI-RQJABVFESA-N 233.359 2.844 30 20 BFED C=C[C@@H](C)NC(=O)C/C=C\c1ccccc1F 362585387 BMCGULOYWGBZAX-BPOWMSRESA-N 233.286 2.920 30 20 BFED N#Cc1csc(C(=O)NC23CCC(CC2)C3)c1 371745570 YDSIWMXHKHIGTO-UHFFFAOYSA-N 246.335 2.682 30 20 BFED CC[C@@H](CC#N)NC(=O)[C@H]1CC2CCC1CC2 380051298 VQBMBRWBZBFAQA-TYUFSLCMSA-N 234.343 2.621 30 20 BFED CC1(C)CC[C@H]1NCc1ccc(F)c(C#N)c1 383387741 IXDCCCLDXQGQQZ-CYBMUJFWSA-N 232.302 2.976 30 20 BFED C#CCNc1c(C)cc(OC)c(C)c1C 393611325 CBSSYPDFZLFLHO-UHFFFAOYSA-N 203.285 2.666 30 20 BFED C=CC[C@@H](CC)NCc1ccc(F)nc1 393611868 IDQCAHFVFKMEQD-LLVKDONJSA-N 208.280 2.665 30 20 BFED C=CCC(C)(C)C(=O)N(C)[C@H](C)c1cnn(C)c1 410669005 APZGOFHAFIAJME-LLVKDONJSA-N 249.358 2.542 30 20 BFED C=CCOCCCOc1ccc(CC(C)=O)cc1 419033996 MFQZFSCANXVDRS-UHFFFAOYSA-N 248.322 2.790 30 20 BFED C=C(CN[C@@H]1CCCC[C@H]1CN)c1ccccc1 423027167 OMCAIPVQYRELLD-JKSUJKDBSA-N 244.382 2.807 30 20 BFED C[C@@H](O)CCCSc1cccc(C#N)c1 427807456 USEYKWCPXCCILX-SNVBAGLBSA-N 221.325 2.811 30 20 BFED C=CCNC(=O)N(C)[C@@H](C)C1CCCCC1 446134795 AQZRUNYAMKLVGI-NSHDSACASA-N 224.348 2.783 30 20 BFED C=CC(C)(C)C(=O)NCc1ccccc1N(C)C 448838434 WHSLKRWXSVCUDI-UHFFFAOYSA-N 246.354 2.581 30 20 BFED CC[C@@H](O)[C@@H](CC)NCc1ccc(C#N)c(C)c1 449637941 IPVIBRXCONLFLZ-HUUCEWRRSA-N 246.354 2.506 30 20 BFED C=C(C)CCN[C@@H]1CC[C@@H](C)C[C@@H]1n1cncn1 453331690 ZVALNTPLMVZIGI-MCIONIFRSA-N 248.374 2.564 30 20 BFED C=C(CC)CNC(=O)c1ccnc(OC(C)C)c1 456813089 PIJVOOXZTUDBSS-UHFFFAOYSA-N 248.326 2.565 30 20 BFED C#C[C@H](CC)NC(=O)C1(c2ccccc2)CCC1 491632149 RFCDEWDJTSIIAA-CQSZACIVSA-N 241.334 2.636 30 20 BFED C#C[C@@H](C)N(C)C(=O)CC1CCCCCC1 491751337 XVYBTODDLKFYGO-GFCCVEGCSA-N 221.344 2.827 30 20 BFED C=CCCCC(=O)NCc1ccc2c(c1)CCO2 530882026 XBMCGHGDSVFWQX-UHFFFAOYSA-N 245.322 2.594 30 20 BFED C[C@H](C#N)CNC/C=C/c1ccc(F)cc1F 543624228 UHIUPKHGLXFOST-VMZHVLLKSA-N 236.265 2.727 30 20 BFED N#CC1(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 560501395 VHHSSIDOLQHWFN-YNEHKIRRSA-N 246.354 2.765 30 20 BFED N#CCCNCC1(Cc2ccc(F)cc2)CC1 564079014 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20 BFED C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC2(CCCC2)O1 592196795 YDJPNTRDPWLXIC-MGPQQGTHSA-N 248.370 2.712 30 20 BFED C[C@H](N[C@H](C#N)c1ccccc1)C1CCOCC1 595419360 YZNZYXWCYMGRJF-SWLSCSKDSA-N 244.338 2.656 30 20 BFED C[C@H](C#N)N(Cc1ccccc1N(C)C)C1CC1 595720495 ISVRSRPXEWPHMS-GFCCVEGCSA-N 243.354 2.629 30 20 BFED CC[C@@H](C)C[C@@H](C)Nc1c(C#N)cnn1C 596138772 NNZYINGYYXHLBQ-NXEZZACHSA-N 220.320 2.528 30 20 BFED CO[C@H](CNc1cccc(C#N)n1)C1CCCC1 596526047 PNOZUSDBUKHUJW-CYBMUJFWSA-N 245.326 2.570 30 20 BFED C[C@H](CC#N)NC(=O)C1[C@H]2CCCCCC[C@H]12 596996940 YSWBFBGNIHVEQO-WOPDTQHZSA-N 234.343 2.621 30 20 BFED C[C@@H](C#N)N(C(=O)CC1CCCCC1)C1CC1 598123963 UAMPYWRJAQYWJP-NSHDSACASA-N 234.343 2.860 30 20 BFED C=C[C@](C)(CC)C(=O)NCC1(SCC)CC1 598330901 XCEUAHSYBLXNSC-GFCCVEGCSA-N 241.400 2.991 30 20 BFED CCCC[C@H](C(=O)N[C@H](C)CC#N)C(C)C 598683309 RHJDVAFLFCWZRU-NEPJUHHUSA-N 224.348 2.867 30 20 BFED CN(C(=O)C1CC2(CC2)C1)c1ccc(C#N)cc1 598816647 ZCXXIKCZRJJGGC-UHFFFAOYSA-N 240.306 2.711 30 20 BFED C[C@@H](C#N)NC(=O)CC(C1CCC1)C1CCC1 599188565 SCYJBECKJBYQDC-JTQLQIEISA-N 234.343 2.621 30 20 BFED Cc1cc(F)ccc1N(CC#N)C(=O)[C@@H]1C[C@H]1C 602386939 MYVIMDVIIZUJAM-BXKDBHETSA-N 246.285 2.647 30 20 BFED CC1(C)CCCN(Cc2ccns2)[C@@H]1C#N 602631233 FEPGYQYDRSHRLD-LLVKDONJSA-N 235.356 2.657 30 20 BFED CCN(Cc1ccc(C)cc1)C(=O)[C@@H](C)C#N 609919782 NIXFJDYFTVBOST-LBPRGKRZSA-N 230.311 2.503 30 20 BFED CC(C)(C)CN(CCO)CC(C)(C)CCC#N 611269793 ZDXVNXGWXXAZLO-UHFFFAOYSA-N 240.391 2.657 30 20 BFED N#Cc1ccc(Nc2ccc(C3CC3)cc2)nn1 611305798 WINVPRYLGOVFIR-UHFFFAOYSA-N 236.278 2.969 30 20 BFED C=CCN(C)C(=O)C1CCC2(CC1)CC2 613665761 SXDDONDCHHLLJB-UHFFFAOYSA-N 207.317 2.601 30 20 BFED C=CCCNC(=O)C1(c2ccccc2F)CC1 617616075 IJGAQDTYVZBATQ-UHFFFAOYSA-N 233.286 2.550 30 20 BFED C=CCCC(C)(C)NC(=O)COC(C)(C)C 620857954 QBHOJFJACLXPGI-UHFFFAOYSA-N 227.348 2.663 30 20 BFED C=CC(C)(C)CNC(=O)c1c(C)cccc1O 627622982 IQFJCUXYRQYPAT-UHFFFAOYSA-N 233.311 2.643 30 20 BFED CCC#C[C@@H](C)N1CCC(OC2CCC2)CC1 642715365 ODDGBPYJOAAVCO-CYBMUJFWSA-N 235.371 2.822 30 20 BFED C=CCn1cc(CN[C@H]2CCCCC[C@@H]2C)nn1 651835254 FDOSXIAQNMIHGD-JSGCOSHPSA-N 248.374 2.523 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@@H](C)Cc1ccccn1 654129933 VKEHPZKUTLZSCD-LBPRGKRZSA-N 246.354 2.731 30 20 BFED C=CCCn1cc(CNC2CCCCCC2)nn1 657286656 RFBTXYMEULOTLY-UHFFFAOYSA-N 248.374 2.667 30 20 BFED C=CCCNC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 663407963 AIGMMFZWWJLSOO-CYDGBPFRSA-N 236.359 2.686 30 20 BFED C=C[C@](C)(O)C(=O)Nc1ccc(C)cc1Cl 665110922 JNMAQVTVAMWNCJ-LBPRGKRZSA-N 239.702 2.524 30 20 BFED C=C1CCN(C(=O)[C@H]2Cc3ccc(F)cc32)CC1 684432965 CDUYLHQDKBMNJB-AWEZNQCLSA-N 245.297 2.644 30 20 BFED N#C[C@H]1CCCN(Cc2csc(Cl)n2)C1 693951169 KHQBXSRBMHSTHA-MRVPVSSYSA-N 241.747 2.532 30 20 BFED Cc1ccncc1CN[C@@H](C)CC(C)(C)C#N 695790150 HXJACHBTMCNZEE-LBPRGKRZSA-N 231.343 2.808 30 20 BFED CC(=NNc1ccc(C)nn1)c1cccc(F)c1 729936066 FBRZAMVFYBTCCE-UHFFFAOYSA-N 244.273 2.760 30 20 BFED C=CCNC(=S)N[C@H](C)C1CCCCC1 741487559 KHJSTLDCZGOLDJ-SNVBAGLBSA-N 226.389 2.605 30 20 BFED C=C(C)CCOC(=O)Cc1ccc(OC)cc1 744305109 NHLSFIVBGAJTHF-UHFFFAOYSA-N 234.295 2.747 30 20 BFED CC#CCOC(=O)c1oc2ccccc2c1C 744451686 FKOYTEVEFJASPH-UHFFFAOYSA-N 228.247 2.921 30 20 BFED Fc1cccc(C=NOCC2CCC2)c1 753822282 RXAHFBKSGXGIPV-UHFFFAOYSA-N 207.248 2.976 30 20 BFED C#CC(=O)Nc1cccc(-c2cccs2)c1 754002618 SMOPTAWWGDYCQO-UHFFFAOYSA-N 227.288 2.987 30 20 BFED CCCON=C(C)c1cccc(NC(C)=O)c1 754276860 SILSQNDUICQXEP-UHFFFAOYSA-N 234.299 2.796 30 20 BFED Oc1ccc(F)cc1C=NNCc1ccccc1 755563045 CKRWAADCULAERN-UHFFFAOYSA-N 244.269 2.655 30 20 BFED CCCCCCCOC(=O)[C@H]1C[C@]12CCOC2 764644563 DPEWTCIUXNGQAK-OCCSQVGLSA-N 240.343 2.927 30 20 BFED CCCNN=C1C[C@H](OC(C)C)C1(C)C 764903947 GVAQQNVKSDJMTC-NSHDSACASA-N 212.337 2.566 30 20 BFED C[C@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)C1CC1 766579345 KDKMZXNRCHHSRM-YGRLFVJLSA-N 236.359 2.867 30 20 BFED CC(C)(C)[C@H](C#N)NC(=O)[C@H](F)c1ccccc1 769468515 CACYEHDXOHWQMG-NWDGAFQWSA-N 248.301 2.752 30 20 BFED CC(C)=CC(=O)OCC#Cc1ccc(F)cc1 771307557 YNKZWACKSABPSC-UHFFFAOYSA-N 232.254 2.687 30 20 BFED c1ccc2c(c1)CCC2=NOC1CCOCC1 774443856 GSZHOQVHFUAEQD-UHFFFAOYSA-N 231.295 2.533 30 20 BFED CC(=NNc1cc(Cl)ccn1)[C@H]1CCOC1 777905995 OGUWUKLCTCZBAG-VIFPVBQESA-N 239.706 2.559 30 20 BFED C[C@@H]1CCC(=NN[C@@H]2CCCOC2)C[C@H]1C 780260768 HZMIBXUMXPAYRF-NQBHXWOUSA-N 224.348 2.567 30 20 BFED COc1ccc(NN=C[C@@H]2CC=CCC2)nc1 780269629 TXIKLUOXLXKYGJ-LLVKDONJSA-N 231.299 2.844 30 20 BFED C(=NNc1ccccn1)c1scnc1C1CC1 782143158 LZQXHRWRNFNUSF-UHFFFAOYSA-N 244.323 2.862 30 20 BFED c1ccc2c(c1)COCC2=NNC1CCCCC1 782283130 LNJAPBCJMDVVLA-UHFFFAOYSA-N 244.338 2.843 30 20 BFED C=CCC1(C(=O)OCCCn2ccnc2)CCC1 784928037 YVBCNHZHYVUFBT-UHFFFAOYSA-N 248.326 2.563 30 20 BFED Fc1ccc(CON=Cc2ccccc2F)nc1 786738836 NQSMMSGOMARCEX-UHFFFAOYSA-N 248.232 2.911 30 20 BFED Clc1sccc1C=NOC[C@H]1CCOC1 790173125 AEKHGTWLUMCOBU-QMMMGPOBSA-N 245.731 2.789 30 20 BFED CC[C@H](C)NN=Cc1c(F)cccc1F 790181293 COHSNUPSCKHLCE-QMMMGPOBSA-N 212.243 2.687 30 20 BFED CC[C@H](NN=C1CC[C@@H](C)C[C@H]1CC)C(=O)O 793079775 TYEKKSBIXCSDRS-MXWKQRLJSA-N 240.347 2.641 30 20 BFED CC(C)[C@@H]1CCCC(=NN2CCOCC2)C1 794458909 FPKPYOYCOOUDDM-GFCCVEGCSA-N 224.348 2.521 30 20 BFED Clc1cscc1C=NNc1cncnc1 794979417 GWUSIJBBDCMSHS-UHFFFAOYSA-N 238.703 2.638 30 20 BFED C=CCNN=C(C)c1ccc(O)c(Cl)c1 794999705 PNDJIGCZVWHTPJ-UHFFFAOYSA-N 224.691 2.545 30 20 BFED COCCCON=Cc1cccc(Cl)c1 795055249 IPBUECIZGXPMRX-UHFFFAOYSA-N 227.691 2.727 30 20 BFED C=C(Cl)COC(=O)c1ccoc1CC 797486510 YBRBOHVYZBNRSQ-UHFFFAOYSA-N 214.648 2.751 30 20 BFED C/C=C/COC(=O)c1ccc(C)c(C#N)c1 799547305 OKDFBARHZSIRBG-ONEGZZNKSA-N 215.252 2.600 30 20 BFED C[C@H](OC(=O)/C=C\c1ccc[nH]1)C(C)(C)C#N 802118935 QQSWSMMZDZUXSN-GFVADAIESA-N 232.283 2.509 30 20 BFED C=CCCCCCCNC(=O)[C@H]1CCSC1 805220002 CTTKDEQOSCQCEV-LBPRGKRZSA-N 241.400 2.992 30 20 BFED CC[C@H]1CCC1=NNc1ccc(Cl)nn1 807945268 JRCFOWHMGDSKPK-ZETCQYMHSA-N 224.695 2.718 30 20 BFED CC(=NNCC1CCCC1)c1cccnc1 808007215 VLLGMKSAIZEXJS-UHFFFAOYSA-N 217.316 2.585 30 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2.973 30 20 BFED C=CCOc1cccc(CN[C@@H]2C[C@]2(C)OC)c1 657789308 OFZYIKZCEFAZQQ-CABCVRRESA-N 247.338 2.518 30 20 BFED C=CC[C@@H]1CCCN(C[C@@H](OC)C2CC2)C1 661380136 BAQXQMPMCVASCI-TZMCWYRMSA-N 223.360 2.700 30 20 BFED C=CC[C@@H]1CCCN(Cc2cncn2CC)C1 668493280 LRYVFXKQQDXNJS-CYBMUJFWSA-N 233.359 2.691 30 20 BFED C=C[C@H](C)NC(=O)N[C@@H](C)Cc1ccsc1 674933578 BVHVEUOVFNHVGR-UWVGGRQHSA-N 238.356 2.553 30 20 BFED C=C[C@](C)(CC)C(=O)N(C)CCOC(C)(C)C 682360521 DIKSLQAVHNQBKL-CQSZACIVSA-N 241.375 2.862 30 20 BFED C=CCCN(C)C(=O)c1cc(F)c(C)cc1F 682427089 FBDFJGBGQXGULB-UHFFFAOYSA-N 239.265 2.921 30 20 BFED C=CC[C@@H](CC)NC(=O)Nc1ccc(C)nc1 685004409 YXIGRXNUSLJDGB-LLVKDONJSA-N 233.315 2.866 30 20 BFED Cc1coc(C(=O)Nc2cc(F)cc(C#N)c2)c1 718501008 BYVSXXCKDSQWEU-UHFFFAOYSA-N 244.225 2.851 30 20 BFED CCC/C=C\C(=O)N(CCC#N)CC(C)C 729344173 BROAZWFHBFATTN-VURMDHGXSA-N 222.332 2.741 30 20 BFED C=CC[C@H](NC(=O)N1CC[C@H]1C)c1ccncc1 734681361 ZXDHOUFDHQLHOR-YPMHNXCESA-N 245.326 2.503 30 20 BFED CCON=Cc1ccc(OCC(F)F)cc1 741807121 UWPLPPTZLVEPRI-UHFFFAOYSA-N 229.226 2.701 30 20 BFED C=CCCCCCN(C)Cn1ccnc1S 743371601 WURVKEOYOCBIIA-UHFFFAOYSA-N 239.388 2.808 30 20 BFED C#CCCCNC(=O)N[C@@H]1CCCC[C@H]1CC 743692657 SJDXVGZINYSCIK-CHWSQXEVSA-N 236.359 2.668 30 20 BFED C#CCCCCNC(=O)c1cc(Cl)cs1 757983813 DDFFWPRADQPMGX-UHFFFAOYSA-N 241.743 2.935 30 20 BFED CC#CCCOC(=O)C[C@H]1CCO[C@@H](CC)C1 760287336 IKYZVHOTBMNNNH-STQMWFEESA-N 238.327 2.538 30 20 BFED CC#CCCN1CCN(c2ccc(C)cc2)CC1 765003555 XGXUKDLHFRBZHM-UHFFFAOYSA-N 242.366 2.530 30 20 BFED Fc1cc(NN=C2CC(C(F)F)C2)ccn1 766027503 SLKGJDUHNKJVFC-UHFFFAOYSA-N 229.205 2.664 30 20 BFED C#C[C@@H](C)N(C)CCOc1cccc(CC)c1 769976167 UMNUXQQTCGOPHK-CYBMUJFWSA-N 231.339 2.581 30 20 BFED C[C@@H]1CC[C@H](OC(=O)c2ccc(C#N)[nH]2)C[C@H]1C 770991938 KVNTWOSUBCRNAX-FOGDFJRCSA-N 246.310 2.868 30 20 BFED C=C(CC)COC(=O)c1ccccc1O 773430200 IBINQRPEGFMWGZ-UHFFFAOYSA-N 206.241 2.515 30 20 BFED Fc1cccc(NN=Cc2ccc(F)nc2)c1 777432434 DMZUSESMIGNCBK-UHFFFAOYSA-N 233.221 2.806 30 20 BFED COC[C@H](C)NN=C1CCCCC1(C)C 777893716 UTNKEFLCKIZAGK-JTQLQIEISA-N 212.337 2.567 30 20 BFED CC(=NNc1cc(Cl)ccn1)c1cccnc1 777906854 IWZRKCZKXJXOQN-UHFFFAOYSA-N 246.701 2.966 30 20 BFED FC(F)(F)CCON=C1CCCOCC1 778601568 GMPWZEAPSHQOCJ-UHFFFAOYSA-N 225.210 2.512 30 20 BFED C[C@@H]1CCCC[C@@H]1C=NN[C@@H]1CCCOC1 780260945 PRKBWLCYYLTWLI-JHJVBQTASA-N 224.348 2.567 30 20 BFED C#CCOc1ccc(CN[C@H]2CC[C@@H](C)C2)cc1 780575125 AAKGECALNDENGR-HIFRSBDPSA-N 243.350 2.977 30 20 BFED C=C(Cl)COC(=O)C[C@@H]1CCO[C@H](CC)C1 781764456 LMYXBVMYOHBPMX-GHMZBOCLSA-N 246.734 2.877 30 20 BFED C=C(C)COC(=O)C[C@H]1CCO[C@H](C(C)C)C1 781778496 BAHGWXBWRGXQBN-STQMWFEESA-N 240.343 2.947 30 20 BFED FC(F)(F)CNN=Cc1cc(Cl)cs1 782272907 YXUBACDUPKVWHV-UHFFFAOYSA-N 242.653 2.887 30 20 BFED C[C@H]1CC(=NN[C@H]2CCCC2(C)C)CCO1 782287762 OJRPKXCWIYJLOR-JQWIXIFHSA-N 224.348 2.710 30 20 BFED C=CC[C@H](C)[C@H](C)NCc1ccc(C#N)cn1 783299376 BHURYMJZZIUFQP-RYUDHWBXSA-N 229.327 2.644 30 20 BFED Cc1ccc(CCCC=Nn2cnnc2)cc1C 783770889 JALCHRFULMEWTF-UHFFFAOYSA-N 242.326 2.752 30 20 BFED COC[C@H](C)CC(=O)OCCCC(C)(C)C#N 784100044 XVNJBHHIEZUXCO-LLVKDONJSA-N 241.331 2.532 30 20 BFED CC(=NNc1ccc(F)cc1F)c1ncc[nH]1 790136727 VLUMQQMUEUXDMT-UHFFFAOYSA-N 236.225 2.524 30 20 BFED COc1cccc(NN=C(C)c2cc(C)on2)c1 790291248 VDXIYNPIIICREO-UHFFFAOYSA-N 245.282 2.828 30 20 BFED C[C@]1(C=NOCC(F)(F)F)CCCS1 793024743 JUFZGJCTKLINGI-SSDOTTSWSA-N 227.251 2.837 30 20 BFED C[C@H](C#N)CNC(=O)[C@H](F)CC1CCCCC1 793479471 PCQYEWIYHZVJPA-ZYHUDNBSSA-N 240.322 2.571 30 20 BFED CCCn1cccc1C=NOCCSC 794573652 GNRHXGGQUSCZTJ-UHFFFAOYSA-N 226.345 2.612 30 20 BFED CC[C@H]1CCC[C@H](C=NN(C)CCOC)C1 794970960 FSHWHIRPBCTZRV-STQMWFEESA-N 226.364 2.767 30 20 BFED C=CC[C@@H](CC)NC(=O)c1ncc(C)cc1C 798554580 RSUHLCZISGZOEI-GFCCVEGCSA-N 232.327 2.783 30 20 BFED CCC#C[C@H](C)N[C@H]1CCc2ccccc2OC1 801571412 SHUYYLHWVFBAAA-ZFWWWQNUSA-N 243.350 2.772 30 20 BFED CCCCCNC(=S)NN=C1CC[C@@H]1CC 807957332 KQNVENZQGVZQPK-JTQLQIEISA-N 241.404 2.817 30 20 BFED Clc1ccc(C=NN[C@H]2CCSC2)cc1 808001365 AKQNWVWAEXYNLU-NSHDSACASA-N 240.759 2.769 30 20 BFED C1CCC2(C1)CCC2=NN[C@H]1CCSC1 808003255 VLOFXLMOSFYFRC-JTQLQIEISA-N 224.373 2.792 30 20 BFED C#Cc1ccc(CN[C@H](C)c2ccccn2)cc1 809425029 RJOHUDFPOITZNC-CYBMUJFWSA-N 236.318 2.914 30 20 BFED C#Cc1ccccc1CC(=O)OCCCCC 810539138 JADVSLIPRFAVCL-UHFFFAOYSA-N 230.307 2.944 30 20 BFED C=CCCCCOC(=O)c1snnc1CC 811013633 DCHPLSNDRBGBNB-UHFFFAOYSA-N 240.328 2.614 30 20 BFED N#CCCCC(=O)NC1CCCCCCC1 812447835 MOBMJJGTGHYCQU-UHFFFAOYSA-N 222.332 2.909 30 20 BFED CCCc1ccc(NC(=O)N2CC(C#N)C2)cc1 814508330 ZSAVAQCPNFVJQE-UHFFFAOYSA-N 243.310 2.626 30 20 BFED Cc1cccnc1NN=C1COc2ccccc21 814911578 OEEAMSXKCAGHRY-UHFFFAOYSA-N 239.278 2.599 30 20 BFED CCCC[C@@H]1CCC[C@H]1NCCOCCC#N 815088656 JAPWNASDWNAEGI-ZIAGYGMSSA-N 238.375 2.865 30 20 BFED CC(C)[C@H]1CCCC(=NN[C@@H]2CCC[C@H]2O)C1 817336718 NDVHUCCNTWXWKZ-IACUBPJLSA-N 238.375 2.692 30 20 BFED C=C[C@@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C 820768971 AQOWMSKOXYJFKT-SECBINFHSA-N 248.282 2.516 30 20 BFED C=C(C)C(C)(C)C(=O)OCC[C@H]1CCCC1=O 821448678 XZBUFYBIKOGKJT-LLVKDONJSA-N 238.327 2.891 30 20 BFED C=C[C@H](CC)CC(=O)N(C)CC(O)(CC)CC 827660491 SZBZGSSPDRZDAS-GFCCVEGCSA-N 241.375 2.598 30 20 BFED C=CCOc1ccccc1C(=O)N(CC)OCC 831491786 QQIUJXMQXWBSOU-UHFFFAOYSA-N 249.310 2.665 30 20 BFED Cc1cnc(C=NOCCC(F)(F)F)s1 834971724 GMLKCLORNODZDV-UHFFFAOYSA-N 238.234 2.754 30 20 BFED CC(=NOC/C=C\Cl)[C@@H]1C[C@H]2CC[C@H]1O2 834979319 MWVFZBQTFLWPKO-FQSUOBHLSA-N 229.707 2.699 30 20 BFED COc1ncc(C(C)=NOC(C)C)cc1Cl 835002590 NCEWUAOWUWTQBM-UHFFFAOYSA-N 242.706 2.893 30 20 BFED CCN(C(=O)C#CC1CC1)c1ccc(F)cc1 837325857 FFOCGYUGZVSJBM-UHFFFAOYSA-N 231.270 2.592 30 20 BFED C=CCCCCOC(=O)c1cccnc1N(C)C 837431450 QABMKVXSLZQHLC-UHFFFAOYSA-N 248.326 2.661 30 20 BFED C#CCCCCC(=O)N1Cc2cccc(F)c2C1 838051504 RZYCAGJFRQTZSZ-UHFFFAOYSA-N 245.297 2.862 30 20 BFED C#CCC[C@H](C)OC(=O)c1ncccc1CC 839038019 AUNPXROUTDBDCR-NSHDSACASA-N 231.295 2.603 30 20 BFED C#CCC[C@@H](C)OC(=O)COCC1CCCC1 839041125 TWUVPYGCHKTIGD-GFCCVEGCSA-N 238.327 2.538 30 20 BFED C=C(Cl)CN[C@H](C)[C@](C)(OC)C1CC1 839638424 IPBXPRYZACBLNY-KOLCDFICSA-N 217.740 2.532 30 20 BFED C=CC[C@H](Cc1ccccc1)N[C@@H](C)CCO 840886847 ANGQZFSZHMIRRW-DZGCQCFKSA-N 233.355 2.534 30 20 BFED CCC(=NNc1ccc(C)nn1)[C@H]1C[C@@H]1C 841623446 JWRPHRFDHBMAJH-WPRPVWTQSA-N 218.304 2.619 30 20 BFED C(=NN[C@@H]1CCSC1)c1ccc(C2CC2)cc1 841638045 OTJGENWJZHEDSP-CQSZACIVSA-N 246.379 2.993 30 20 BFED C#CCON=C[C@@]1(C)C[C@@H]1c1ccccc1 841639508 SDOJBINHPATNQL-ZIAGYGMSSA-N 213.280 2.816 30 20 BFED CC(C)C[C@@H](C)ON=C(N)c1cccs1 842019502 PNYNQSZXKPEDDY-SECBINFHSA-N 226.345 2.820 30 20 BFED CCCON=Cc1cn2cc(Cl)ccc2n1 842558819 ZPWFHPZXOCKZFQ-UHFFFAOYSA-N 237.690 2.748 30 20 BFED C=C(C)[C@H](CC(=O)OC/C(C)=C/C)OCC 842846487 NEUOVPOPYOXHOA-BCMYLCSRSA-N 226.316 2.867 30 20 BFED C#C[C@@H](C)NC(=O)Nc1ccc(Cl)c(C)c1 847252613 XPQHFGDOGHJHAI-SECBINFHSA-N 236.702 2.792 30 20 BFED CC(C)c1ccccc1C=NNC[C@H](C)C#N 848407271 NSYUOXPHQXSEAR-GFCCVEGCSA-N 229.327 2.893 30 20 BFED CC(=NN[C@H](C)C(C)(C)C)c1cncnc1C 848411275 ZDPZGKOOMJBQCJ-LLVKDONJSA-N 234.347 2.533 30 20 BFED CC#CCCOC(=O)CC1(C#N)CCCCC1 849907201 XEDRKAZSIRQEEH-UHFFFAOYSA-N 233.311 2.807 30 20 BFED C=CCCNCc1cc(C)c(C)cc1O 850354554 NEBOPUTZXYRRCH-UHFFFAOYSA-N 205.301 2.675 30 20 BFED C#C[C@H](CC)OC(=O)c1ccc2c(c1)C[C@H](C)O2 850954501 SVHCFILEPVKWPR-GXFFZTMASA-N 244.290 2.579 30 20 BFED C=CC(C)(C)COC(=O)Cn1cc(C2CC2)cn1 851064427 RIFWPUVMPJWGNN-UHFFFAOYSA-N 248.326 2.516 30 20 BFED C=CC(C)(C)COC(=O)c1c(C2CC2)cnn1C 851065035 ZETJCHMJKZHHNK-UHFFFAOYSA-N 248.326 2.667 30 20 BFED C#C[C@@H](CCC)NC(=O)NCC[C@@H](C)CC 852275508 QUXFRQKQTVNKKF-RYUDHWBXSA-N 224.348 2.524 30 20 BFED C#C[C@H](CC)NC(=O)N1C[C@@H](CC)CC[C@@H]1C 852277317 LROPXXXZGJXBJY-RWMBFGLXSA-N 236.359 2.618 30 20 BFED C[C@@H]1CCCCN1N=Cc1cccc(C#N)c1 853380261 ORNZWGWRWRXVDI-GFCCVEGCSA-N 227.311 2.767 30 20 BFED C[C@H]1CCCCN1N=CCC(F)(F)F 853381615 HQEJGPSSEAWYSI-QMMMGPOBSA-N 208.227 2.799 30 20 BFED CC(=NOCC1CCC1)c1cccc(C(=O)O)c1 853439592 MTZIZAHSLDCCOI-UHFFFAOYSA-N 247.294 2.926 30 20 BFED CC/C(C)=C(/C)C(=O)N1CCC[C@@H](CC#N)C1 855257277 YZNBGCRNGYKEEL-HHQWOOOKSA-N 234.343 2.885 30 20 BFED C=CCCONC(=O)C[C@@H]1CCCC[C@H]1C 856030498 GRINWJQEBMNFSG-NEPJUHHUSA-N 225.332 2.827 30 20 BFED CCCCCCCCC(=O)NC1([C@H](C)O)CC1 856132151 WLDFQMSORLEXDK-LBPRGKRZSA-N 241.375 2.767 30 20 BFED C/C(=C\C(=O)N(CC#N)C1CC1)c1cccs1 857580600 DRQQUIWFDCMCGN-MDZDMXLPSA-N 246.335 2.666 30 20 BFED C#CCCOC(=O)N[C@H](C)C[C@H](C)CC 859030224 BGHIAHBNTLOWCB-GHMZBOCLSA-N 211.305 2.561 30 20 BFED CC(C)CCOC(=O)N1CCC(CC#N)CC1 859101499 URFXAOCXLUKDFA-UHFFFAOYSA-N 238.331 2.795 30 20 BFED CCCCCCCNC(=O)Cc1cncs1 862356118 CHYDTONKOCDIAF-UHFFFAOYSA-N 240.372 2.772 30 20 BFED C=CC(C)(C)CC(=O)N(CCCC)CCOC 878790232 GZLDIWJFTLEPFB-UHFFFAOYSA-N 241.375 2.864 30 20 BFED C=CCCSCCNc1ccc(C)nc1C#N 882596403 QZYCUDHNZJLHKE-UHFFFAOYSA-N 247.367 2.983 30 20 BFED C=C1CCC(C(=O)N(C)Cc2ccco2)CC1 887696945 KTRFLBLWOXHJGX-UHFFFAOYSA-N 233.311 2.984 30 20 BFED C=C1CCC(C(=O)NCc2occc2C)CC1 891136707 FGGJCKZSNTUXNE-UHFFFAOYSA-N 233.311 2.951 30 20 BFED CCN(Cc1cnn(C2CCC2)c1)C[C@H](C)C#N 891715816 HEFHXYAYWJLGFP-GFCCVEGCSA-N 246.358 2.590 30 20 BFED CCC#CCOC(=O)c1ccc(F)cc1F 893835563 ZYARFWNPPVHNDC-UHFFFAOYSA-N 224.206 2.535 30 20 BFED C=CC(C)(C)CNCc1cnc(F)cc1C 894714135 CTWDOGYNUIEESP-UHFFFAOYSA-N 222.307 2.831 30 20 BFED C=C1CN(C(=O)CCCCC(C)(C)C)C1 898704288 SLWDRCULKDUKJI-UHFFFAOYSA-N 209.333 2.991 30 20 BFED C#Cc1ccc(NCc2nnc(C3CC3)o2)cc1 901515378 ADBLYTPARPJMEN-UHFFFAOYSA-N 239.278 2.540 30 20 BFED C=CCN(C(=O)c1[nH]ccc1C)C(C)(C)C 906034541 OVQSUCUGYCYYGY-UHFFFAOYSA-N 220.316 2.750 30 20 BFED C=C[C@@H](CC)CC(=O)O[C@@H]1CCC(C)(C)C1=O 909526520 YXDOAXNQDQACBW-WDEREUQCSA-N 238.327 2.890 30 20 BFED CC[C@@H](C#N)OC(=O)c1ccc2scnc2c1 910201101 IINDYLBPBJXUOZ-VIFPVBQESA-N 246.291 2.755 30 20 BFED CC[C@H](NC(=O)C#CC(C)(C)C)c1ccccn1 910343715 FIOGLLOCPUINHT-LBPRGKRZSA-N 244.338 2.698 30 20 BFED C=C(C)COC(=O)COc1cc(C)ccc1C 916586945 LIFBSIVMPYNSSR-UHFFFAOYSA-N 234.295 2.802 30 20 BFED CC[C@@H](CO)Sc1ccc(C#N)c(C)c1 917874054 UPPIDGKRWGIKFF-NSHDSACASA-N 221.325 2.730 30 20 BFED C=CCOC(=O)c1ccc(CN2CCCCC2)o1 923831532 MOUYICHSRXWSCN-UHFFFAOYSA-N 249.310 2.608 30 20 BFED C=CCCN[C@@H](c1ccccn1)C1CC1 932378467 MIOYMUOAXJYDCP-CYBMUJFWSA-N 202.301 2.698 30 20 BFED C=CC[C@@H](CC)NC(=O)c1cnn(C2CCC2)c1 935798054 APOKAHRVBBLWTH-GFCCVEGCSA-N 247.342 2.693 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)c1ccc(C)n1C 1120813633 IZVVCBWONFEPGA-CYBMUJFWSA-N 246.354 2.904 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)[C@@H]1CCCS1 1121244358 BKBIYGHKIAIJKG-NEPJUHHUSA-N 239.384 2.839 30 20 BFED N#Cc1cnc(SCc2ccncc2)c(F)c1 1187724559 KAJAKTWOXXQCQP-UHFFFAOYSA-N 245.282 2.780 30 20 BFED Cc1c[nH]cc(C)c1=NC(=O)CCCCCC#N 1262805507 TZDSHLPRHYVMJG-UHFFFAOYSA-N 245.326 2.533 30 20 BFED C=C[C@H](COC)Nc1cc(C)nc(C2CCC2)n1 1333697296 HBVHZBQAPZKYKA-GFCCVEGCSA-N 247.342 2.665 30 20 BFED CC[C@H](C#N)N(CC)C(=O)C[C@H]1CC[C@@H](C)C1 1339196807 OXJFFZDKMOBBCJ-FRRDWIJNSA-N 236.359 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2.623 30 20 BFED C#CCCCCc1nc(CCc2ccco2)no1 762328395 WGJSKKGLYVKAFC-UHFFFAOYSA-N 244.294 2.794 30 20 BFED CC(C)(CC#N)COC(=O)c1ccc(C#N)s1 764848579 SBJQSISQAHAISK-UHFFFAOYSA-N 248.307 2.716 30 20 BFED Cc1[nH]c2ccccc2c1C=NNC[C@H](C)C#N 771101488 ZULVEEOWNOZCIH-SNVBAGLBSA-N 240.310 2.560 30 20 BFED CCC(=NNC[C@H](C)C#N)c1ccc(F)cc1 771110334 BRUXMTGRWGVWCH-SNVBAGLBSA-N 233.290 2.689 30 20 BFED CCCCCC1=C(C)CCC1=NOCC(N)=O 771575229 UIRUDWRXTQIKAW-UHFFFAOYSA-N 238.331 2.535 30 20 BFED C=C(CC)COC(=O)c1cncnc1C(C)C 773496689 LZSOFXJQRJQSGF-UHFFFAOYSA-N 234.299 2.723 30 20 BFED CCOCCON=C1C2CC3CC(C2)CC1C3 774422341 LTSAABGPEUSYST-UHFFFAOYSA-N 237.343 2.852 30 20 BFED CCOCCON=CC1CCCCCC1 774433986 BQQACRSZZIXXQC-UHFFFAOYSA-N 213.321 2.996 30 20 BFED CC(=NN[C@@H]1C[C@H]2CC[C@H]1C2)c1ccoc1 774593777 QLKZAQMWEOTVRN-GMXVVIOVSA-N 218.300 2.782 30 20 BFED C=CCCC[C@@H](C)NC(=O)NOCC(C)C 775753750 OBZRTRSAPRZOHD-LLVKDONJSA-N 228.336 2.618 30 20 BFED CC(=NNc1cc(Cl)ccn1)c1ccc[nH]1 777907118 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CCCCC(=O)N(CC#N)c1ccccc1 57497674 YGODRYOYDUDZCZ-UHFFFAOYSA-N 216.284 2.733 30 20 BFED CC[C@H](C#N)C(=O)NCC[C@H](C)c1ccccc1 61911206 BFCYSBLCTSGALK-QWHCGFSZSA-N 244.338 2.846 30 20 BFED C#CCCOC(=O)c1ccc(-n2cccc2)cc1 62700524 CCRCAZGHGFHAGL-UHFFFAOYSA-N 239.274 2.657 30 20 BFED CC[C@@H]1CCCCN1CCCSCC#N 74981214 GKLUTHSGKKQPMI-GFCCVEGCSA-N 226.389 2.898 30 20 BFED COCCSCCCC(C)(C)C#N 83642792 INXQKHAFFDYMQA-UHFFFAOYSA-N 201.335 2.696 30 20 BFED CCC[C@@H](C)NC(=O)c1cc(C#N)cs1 84059365 GTGMHKRQKWGEOF-MRVPVSSYSA-N 222.313 2.538 30 20 BFED CCOC(=O)[C@H]1O[C@@]12CCCC(C)(C)CC2 84324457 SQCPGUVKWXEYHH-ZWNOBZJWSA-N 226.316 2.677 30 20 BFED C[C@@H](CC#N)N(C)C(=O)c1cccc2cc[nH]c12 88733403 IUVMRDFFEZRLNX-JTQLQIEISA-N 241.294 2.542 30 20 BFED CC(C)[C@@](C)(C#N)NC(=O)CC1=CCCCC1 106761859 LVFPLVHSYMOYGM-CQSZACIVSA-N 234.343 2.931 30 20 BFED CCCCCCCCCNC(=O)c1cnccn1 108630125 INVCVJGHWDLWJT-UHFFFAOYSA-N 249.358 2.957 30 20 BFED O=C(/C=C/c1ccc(F)cc1)c1cnccn1 115962834 YANVEYHBBAWXAM-ZZXKWVIFSA-N 228.226 2.512 30 20 BFED C=CCCOC(=O)[C@@H]1CSc2ccccc21 118599733 HENUMNJHDIUATA-LLVKDONJSA-N 234.320 2.995 30 20 BFED Cc1ccoc1C(=O)/C=C/c1c(C)n[nH]c1C 119032376 ARQOUILZHXANLU-SNAWJCMRSA-N 230.267 2.824 30 20 BFED N#CCCN(CCC#N)Cc1ccc(F)cc1F 120425652 IVEIDTDRLHQYAF-UHFFFAOYSA-N 249.264 2.594 30 20 BFED C=CCN(C)[C@@H](C)c1cc(C)c(C(=O)OC)o1 121270792 UNELPQCONNCSAQ-JTQLQIEISA-N 237.299 2.553 30 20 BFED CC[C@@H]1CCN(CCOc2ccc(C#N)cc2)C1 125830404 KTBXXGADIZNDCW-CYBMUJFWSA-N 244.338 2.669 30 20 BFED Cc1ccc(C#N)c(N[C@@H]2CC[C@@H](C)C2)n1 129203540 AEIFDFNALBGTCY-BXKDBHETSA-N 215.300 2.862 30 20 BFED N#Cc1ccc(N2CC[C@H]3CCCC[C@@H]3C2)cn1 149332095 HFQDCLKXXIGHGA-CHWSQXEVSA-N 241.338 2.970 30 20 BFED C=CCC(CC=C)C(=O)N1CCC[C@@H]1C 151046624 RUBUMTDMXMUEID-NSHDSACASA-N 207.317 2.766 30 20 BFED CC[C@H](C#N)NC(=O)c1cccc(C)c1Cl 162008766 CLECWZOPZLWIIU-SECBINFHSA-N 236.702 2.680 30 20 BFED C[C@@H](C#N)CNCc1ccc(Cl)cc1F 162963677 GROBHOYECXCSJN-QMMMGPOBSA-N 226.682 2.728 30 20 BFED C#CCCCNCc1ccc(Cl)c(F)c1 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30 20 BFED C#CCCCC(=O)N[C@H]1CC12CCCCC2 192166813 NKKPLCZXTXGPIC-LBPRGKRZSA-N 219.328 2.629 30 20 BFED COC1(CNc2cccc(F)c2C#N)CCC1 227306126 XWLHKGCNQDYMQG-UHFFFAOYSA-N 234.274 2.678 30 20 BFED CCCC(CCC)C(=O)N(C)C[C@@H](C)C#N 228447573 VDKHKYCNDXBQOM-NSHDSACASA-N 224.348 2.821 30 20 BFED Cc1cc(C#N)nc(NC[C@@H]2CC[C@@H](C)C2)n1 231907146 XBLKNQQLWOZKPZ-MWLCHTKSSA-N 230.315 2.505 30 20 BFED C=Cn1cc(CNc2cc(C#N)ccc2C)cn1 235767740 CPPULGZNHYLNBP-UHFFFAOYSA-N 238.294 2.776 30 20 BFED CO[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 246458578 WBUCQSAVKCKKEO-IUODEOHRSA-N 244.338 2.730 30 20 BFED CC[C@H](CSC)N[C@H]1CCC[C@@H](C#N)C1 248814200 KVBYPWGWRPBKAF-UTUOFQBUSA-N 226.389 2.800 30 20 BFED Cc1nc(C#N)cc(NCC(C)(C)C2CCC2)n1 258834426 OQROEGPICHXTCB-UHFFFAOYSA-N 244.342 2.895 30 20 BFED CC[C@H](C)N/C(N)=N/C1CC(c2ccccc2)C1 262160268 SMQPROQUQNMHND-XGNXJENSSA-N 245.370 2.635 30 20 BFED CC[C@H](C)[C@@H](O)CNc1ccc(C#N)cc1F 264766677 FNSQWYHSLNTANA-ZANVPECISA-N 236.290 2.516 30 20 BFED CO[C@@H](C)c1nc(CON=C2CCC2)cs1 266997381 FMZMNCGURHAIPU-QMMMGPOBSA-N 240.328 2.907 30 20 BFED C/C=C(\C=C\C(=O)N[C@H](C#N)C(C)(C)C)CC 268920253 WIWJOBPAKOPFCD-NHQRWNENSA-N 234.343 2.953 30 20 BFED C[C@@H]1C[C@@H](N[C@H](C)c2cccc(C#N)c2)CCO1 271650582 FXRVROZYQQEUBD-JMSVASOKSA-N 244.338 2.776 30 20 BFED CC[C@@H](CC#N)Nc1ccc([N+](=O)[O-])cc1C#N 273826169 DYZSERARTPHWPM-JTQLQIEISA-N 244.254 2.571 30 20 BFED CCC(=CC(=O)N[C@@H](CC)CC#N)CC 273898336 VJKMMHQDTUEFMO-NSHDSACASA-N 208.305 2.541 30 20 BFED C#CCN(C(=O)C(C)=C1CCCC1)C1CC1 274091469 NIPYCTOUESMSIB-UHFFFAOYSA-N 217.312 2.501 30 20 BFED CC[C@@H]1[C@H](C)CCN1C(=O)C#Cc1ccccc1 274778634 KBEHQSYCYITINC-UKRRQHHQSA-N 241.334 2.685 30 20 BFED C=C(C)CCN1CCOC[C@@H]1c1ccc(C)o1 274824256 YZAGFSBPZIMNBY-CYBMUJFWSA-N 235.327 2.928 30 20 BFED COC1(CNCc2cccc(C#N)c2)CCCC1 277140512 XKYGTBKMOBVVMZ-UHFFFAOYSA-N 244.338 2.607 30 20 BFED C#CCCCC(=O)N[C@H]1CCc2cc(C)ccc21 277297960 VIQXAAIZHYRWBQ-HNNXBMFYSA-N 241.334 2.902 30 20 BFED CC(C)(C#N)CC(=O)Nc1ccnn1C(C)(C)C 278204606 GELFZQMGCOIKCM-UHFFFAOYSA-N 248.330 2.516 30 20 BFED C#CCSCCN[C@@H](C)c1cc(C)c(C)o1 281951057 ANRVHHXOFQQRFX-NSHDSACASA-N 237.368 2.913 30 20 BFED C#Cc1ccccc1CC(=O)N(CC)CC(=C)C 289508545 LOMFPXMJCOHHAP-UHFFFAOYSA-N 241.334 2.635 30 20 BFED C[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)C1CC1 289749755 LATPAUYSPGYNHR-QMMMGPOBSA-N 247.273 2.617 30 20 BFED C#Cc1ccccc1CC(=O)NCC1(CC)CC1 290329078 ITAKBNGNLMKZGC-UHFFFAOYSA-N 241.334 2.517 30 20 BFED C=CCN(CCC#N)C(=O)C=C(CC)CC 293906385 ROJGYQGCDYJLDM-UHFFFAOYSA-N 220.316 2.661 30 20 BFED CC/C=C/CNC(=O)[C@]1(C#N)CC12CCCC2 295940408 KVSPBQUPWPRQPJ-BOTMBNHJSA-N 232.327 2.543 30 20 BFED C[C@H](CC(C)(C)O)N[C@H](C)c1ccc(C#N)cc1 296308847 GFQFFHJLEFNBCO-VXGBXAGGSA-N 246.354 2.758 30 20 BFED CSc1ccc(CN(C)C[C@H](C)C#N)cc1 298670053 INLHDMBCPMQGDK-LLVKDONJSA-N 234.368 3.000 30 20 BFED C=CC(C)(C)C(=O)Oc1ccc(C#N)c(OC)c1 298703105 QYMFDNAJNHFKPR-UHFFFAOYSA-N 245.278 2.684 30 20 BFED CCCN(CC#N)[C@@H]1CCc2ccccc21 299339892 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2.502 30 20 BFED CC(C)(C#N)CNC(=O)NC1CCCCCC1 335967328 HOIZMVQFRIAPPY-UHFFFAOYSA-N 237.347 2.558 30 20 BFED CC(C)(C#N)c1nc(Cc2cccs2)no1 336220687 BTDNXJMPPGYMTM-UHFFFAOYSA-N 233.296 2.523 30 20 BFED C[C@]1(C(=O)N2CCC(CC#N)CC2)CC=CCC1 336257298 DDWNFCMHCIQJGN-HNNXBMFYSA-N 246.354 2.885 30 20 BFED CCC[C@H]1CCC[C@@H]1C(=O)N1CC(C)(C#N)C1 336258747 STNYWFRQCLSLES-RYUDHWBXSA-N 234.343 2.575 30 20 BFED CC[C@H](C)C(=O)Nc1cnc(C#N)c(Cl)c1 336283312 AFDCPOLEAPIUAE-ZETCQYMHSA-N 237.690 2.591 30 20 BFED C=C1CCN(C(=O)C[C@@H]2CC[C@H](C)C2)CC1 336349827 ZXFUCNWRRZFITR-QWHCGFSZSA-N 221.344 2.991 30 20 BFED Cc1cc(NC(=O)[C@@H](C)C#N)c2ncccc2c1 336471474 VAVDHEDZCQHYML-JTQLQIEISA-N 239.278 2.641 30 20 BFED N#Cc1ccc(C(=O)NCC2CCC2)cc1Cl 336486708 JLIWZMNYTILPOG-UHFFFAOYSA-N 248.713 2.742 30 20 BFED C=CC[C@H](CC)NC(=O)C1C[C@@H](C)O[C@H](C)C1 337105607 ZJYPVMQHDRKJRP-WZRBSPASSA-N 239.359 2.661 30 20 BFED C=CCCN1CCC[C@H]1c1cc(C)no1 338544739 SKMLOEVGSUAMQI-NSHDSACASA-N 206.289 2.696 30 20 BFED C=CCCN(C)CCOc1cccc(F)c1 338546612 NRFPEZUYEMOOJM-UHFFFAOYSA-N 223.291 2.712 30 20 BFED C=CCN(CC=C)C(=O)c1ccnc(C2CC2)c1 341095584 ODPDHOIUTJOSIY-UHFFFAOYSA-N 242.322 2.773 30 20 BFED C=CCCCC(=O)N1C[C@]2(CCCO2)[C@H]1C1CC1 341193639 TUOFCZYXARJACQ-HUUCEWRRSA-N 249.354 2.513 30 20 BFED C=CC[C@H](CO)CN[C@H]1CCC[C@@H](C2CC2)C1 341878841 NOOYWORQQRFINW-CFVMTHIKSA-N 237.387 2.729 30 20 BFED C=CCCO[C@@H](C)C(=O)N(CC)[C@@H](C)C(C)C 342284454 RYEMFWAOTPHDQW-STQMWFEESA-N 241.375 2.861 30 20 BFED C=CCCC[C@@H](C)NC(=O)c1ccnn1C(C)C 343258619 IYZKSBIVYSVYRY-GFCCVEGCSA-N 249.358 2.939 30 20 BFED C=C(C)CCN[C@H]1CCC[C@@H]1OC(F)F 348103012 BWEVHBJSJTVJBK-UWVGGRQHSA-N 219.275 2.703 30 20 BFED C=CCCc1noc(C2C[C@@H]3CC[C@H](C2)C3=O)n1 351130200 IWBRARGKCUBNRP-ZACCUICWSA-N 246.310 2.661 30 20 BFED C=CCC(C)(C)CNC(=O)[C@@H](C)C(F)(F)F 352468903 ARRBFQPTCRQFSX-MRVPVSSYSA-N 237.265 2.903 30 20 BFED C=CCC(C)(C)CNC(=O)[C@@H]1[C@@H](C)C1(F)F 352504417 QJIIXPNQVNOHHE-BDAKNGLRSA-N 231.286 2.606 30 20 BFED 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2.659 30 20 BFED C=CC[C@H](C)NC(=O)N(C)CCC(F)(F)F 342509896 NBTGDWJYJMTCOU-QMMMGPOBSA-N 238.253 2.545 30 20 BFED C[C@H](C#N)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 343638282 VQMSVQNYZNQLHV-BNOWGMLFSA-N 242.322 2.599 30 20 BFED CC[C@H]1CCCC[C@H]1NC(=O)NCCCC#N 343790750 COJAVEDLJMSHKT-NWDGAFQWSA-N 237.347 2.558 30 20 BFED CC(C)CC(C)(C)CNC(=O)NCCCC#N 343971835 LSXWYOIWBSFTMX-UHFFFAOYSA-N 239.363 2.662 30 20 BFED C=CCOCCCN(C1CC1)[C@@H](C)C1CC1 347970214 MMZQGIJEZBFHSF-LBPRGKRZSA-N 223.360 2.842 30 20 BFED C=C(C)CCN1CCC[C@H](Cc2nccn2C)C1 351759734 SOWIGMCCEDHVBP-CQSZACIVSA-N 247.386 2.641 30 20 BFED C=C[C@@H](CO)N[C@@H](C)c1cc2ccc(C)cc2o1 353569765 MDNLDXBXAZMCNC-AAEUAGOBSA-N 245.322 2.939 30 20 BFED C=CCCC[C@H](C)NC(=O)NCC(C)(C)C#N 355021217 UDQZLFYBWUWUMN-NSHDSACASA-N 237.347 2.580 30 20 BFED C=C[C@H](C)NC(=O)C[C@H](CC#N)c1ccccc1 356377026 ZQJGGOCTMXGQMV-JSGCOSHPSA-N 242.322 2.765 30 20 BFED CC(C)(C)CC[C@H](CO)Nc1cccc(C#N)n1 360253627 ZRWMWROESDSUJQ-GFCCVEGCSA-N 247.342 2.552 30 20 BFED 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C=CCCC[C@H](C)NC(=O)OCCCF 496279356 YUBIUFSYCBCZMT-JTQLQIEISA-N 217.284 2.817 30 20 BFED N#Cc1ccc(CNC2(CF)CCC2)cc1F 570212507 SZXGRVFKLIUKPS-UHFFFAOYSA-N 236.265 2.679 30 20 BFED C[C@@H]1CN(C(=O)CCCCCC#N)[C@H](C)[C@@H]1C 591314417 PMZWVBBTSNFVOP-JHJVBQTASA-N 236.359 2.963 30 20 BFED CC[C@H](C#N)N(C)C(=O)[C@@H]1CC2CCC1CC2 594089782 BHSQKVOHWIIYPI-FIYWTHMPSA-N 234.343 2.573 30 20 BFED C[C@@H](O)CCNc1cccc(OCCCC#N)c1 594700069 FAPIOEJEIXDPBN-GFCCVEGCSA-N 248.326 2.552 30 20 BFED CC[C@@H](C)CNCCc1ccc(C#N)cc1 594954137 CAIQAFFKQKHNFJ-GFCCVEGCSA-N 216.328 2.736 30 20 BFED CCN(Cc1cncc(Cl)c1)C[C@H](C)C#N 598590909 SDYMSCOBZFCKFQ-SNVBAGLBSA-N 237.734 2.717 30 20 BFED Cc1ccc(C#N)nc1NCC1CC(C)C1 598644268 ZSMDDJPBRQNJRI-UHFFFAOYSA-N 215.300 2.720 30 20 BFED C[C@H](CCC#N)CN1CCCC(F)(F)C1 602699182 MQEHGLIXDNPNGM-SNVBAGLBSA-N 216.275 2.657 30 20 BFED COc1cccc2c1CN(C[C@H](C)CCC#N)C2 602723678 HONVKOSBAIRDJY-GFCCVEGCSA-N 244.338 2.951 30 20 BFED CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@@H](C)C#N)C1(C)C 609524892 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30 20 BFED CSCC(=NNCC(F)F)c1ccccc1 740618336 VGUYFXWKAWWEHP-UHFFFAOYSA-N 244.310 2.608 30 20 BFED C#CCN(CC#CC)C(=O)C[C@@H]1CCC[C@@H](C)C1 742003983 LSXRFIJHABSSQD-HUUCEWRRSA-N 245.366 2.688 30 20 BFED C=C(C)COC(=O)c1c(C)noc1C(F)(F)F 750488458 YZAXJTLMFKQDEX-UHFFFAOYSA-N 249.188 2.735 30 20 BFED Cc1nc2sccn2c1C=NOCC(C)C 754286891 VZHWOMHQCQIUSK-UHFFFAOYSA-N 237.328 2.711 30 20 BFED C=CCOCC(=O)NCC(C)(C)CCCCC 755413952 UCIJJFOYXXFYMT-UHFFFAOYSA-N 241.375 2.912 30 20 BFED CCc1nc(C=NOCC(C)C)c2ccccn12 755801087 GTTCYHMSYRBGTE-UHFFFAOYSA-N 245.326 2.903 30 20 BFED COc1cccc(F)c1C(C)=NOCC(F)F 758904888 USKGUPLWWDXQSD-UHFFFAOYSA-N 247.216 2.840 30 20 BFED COCCCC(C)=NNc1ccc(C#N)cc1 759202105 OYOMZTOBRXTYGC-UHFFFAOYSA-N 231.299 2.773 30 20 BFED CCCCNN=C1C[C@@H](OC(C)C)C1(C)C 764903717 AOVGVSCNSAOQEC-GFCCVEGCSA-N 226.364 2.956 30 20 BFED C=CCN(C(=O)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12)C(C)C 769197514 NVGIZJWZVWBTDI-CYDGBPFRSA-N 248.370 2.637 30 20 BFED C[C@@H](CC#N)N(C)Cc1nccc2ccccc12 769332195 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2.638 30 20 BFED Cc1cc(F)ccc1N(CC#N)C(=O)[C@H]1C[C@H]1C 602394146 MYVIMDVIIZUJAM-SKDRFNHKSA-N 246.285 2.647 30 20 BFED COCCC(C)(C)CNC[C@H](C)CCC#N 602613862 RCJLYEJTMXWPKB-GFCCVEGCSA-N 226.364 2.579 30 20 BFED C[C@H](CCC#N)CN1CC[C@H]2CCC[C@H]21 602623445 GPAWCVSJXNYRMZ-JHJVBQTASA-N 206.333 2.801 30 20 BFED COc1ccc(C)cc1CN[C@H]1CC[C@H](C#N)C1 613661390 JGDPEFIXCRGSRJ-JSGCOSHPSA-N 244.338 2.786 30 20 BFED N#Cc1ccc2c(c1)CC[C@H]2NCc1cc[nH]c1 618743041 UYEPAGTUOKADPO-OAHLLOKOSA-N 237.306 2.663 30 20 BFED C=CCC1(CNC(=O)c2[nH]cnc2C)CCCC1 635996494 WKRJEUOKTNUEDQ-UHFFFAOYSA-N 247.342 2.584 30 20 BFED C=CCN(C)Cc1cc2ccccc2n1C 639068120 QQUFPLWINOKEBI-UHFFFAOYSA-N 214.312 2.796 30 20 BFED C=C(C)CN(CC)C(=O)CCC(C)(F)F 642632176 HIQKTLZGLLVKCN-UHFFFAOYSA-N 219.275 2.846 30 20 BFED C=CCC(CC=C)C(=O)N[C@H]1CCS[C@H]1C 648681411 NLAVKNLVNVZYLJ-JQWIXIFHSA-N 239.384 2.765 30 20 BFED C=C[C@H](C(=O)O)N1C[C@@H](c2ccccc2)C[C@@H]1C 652417412 PPVOXRJEPSPDAY-FPMFFAJLSA-N 245.322 2.504 30 20 BFED 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237.299 2.733 30 20 BFED CCCCCCCN1CCC[C@H](N(C)C)C1 740877639 UYSTWTFZLZCRRU-AWEZNQCLSA-N 226.408 2.983 30 20 BFED C#Cc1cccc(NC(=O)N2C[C@@H](C)C[C@@H]2C)c1 741056729 KNHRCHYVRNLXKJ-RYUDHWBXSA-N 242.322 2.930 30 20 BFED Oc1c(F)cc(C=NNc2ccccn2)cc1F 749859641 XCSMIOCHEQAELA-UHFFFAOYSA-N 249.220 2.511 30 20 BFED C#CCN(Cc1ccccc1F)CC1CC1 753204494 NRHVPXFDNXRVJS-UHFFFAOYSA-N 217.287 2.671 30 20 BFED Clc1cccc(NN=Cc2cc[nH]n2)c1 755471815 OEEOWKQKUZVDDQ-UHFFFAOYSA-N 220.663 2.509 30 20 BFED C=C(C)COC(=O)CCO[C@H](C)CC(C)C 756235294 XPIQEDBHKFWFSX-GFCCVEGCSA-N 228.332 2.947 30 20 BFED C=C(C)[C@@H](CC(=O)OCCCC)OCC 756468013 AAVZYZKYPKIPEK-LLVKDONJSA-N 214.305 2.701 30 20 BFED N#Cc1cccc(COC(=O)[C@@H]2CC23CCC3)c1 759841861 IGRSSYBYGYHIQW-ZDUSSCGKSA-N 241.290 2.792 30 20 BFED COc1nccnc1NN=C1CCC[C@H](C)[C@@H]1C 763409495 ZNXOSDKMTWLYOC-UWVGGRQHSA-N 248.330 2.709 30 20 BFED CC(CSC(C)(C)C)=NNC[C@H](C)C#N 771102763 ITMWPZNMAZXCRC-SECBINFHSA-N 227.377 2.643 30 20 BFED C=C(C)CON=Cc1ccc(OC)cc1OC 771652746 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C=CCCCC(=O)NCc1ccccc1OC 175088141 BDVXJJOYNKCVOS-UHFFFAOYSA-N 233.311 2.668 30 20 BFED C=CCCCC(=O)Nc1cc(OC)ccc1OC 177460075 GYQIWYFSVDYQIG-UHFFFAOYSA-N 249.310 2.999 30 20 BFED C=C(C)CS[C@@H](C)C(=O)Nc1cc(C)no1 177866757 IQQXEOAGCSZYDV-VIFPVBQESA-N 240.328 2.619 30 20 BFED COC[C@@H](N[C@H](C)c1cccc(C#N)c1)C1CC1 178180028 DKUAFPUVAFACCL-IAQYHMDHSA-N 244.338 2.634 30 20 BFED C=CCNc1ccccc1O[C@H](C)C#N 182547685 JSKYZRCRDPXGFQ-SNVBAGLBSA-N 202.257 2.575 30 20 BFED N#C[C@@H]1CCC[C@@H](NCCc2ccccc2)C1 185710363 UODDGCSASRVTOO-HUUCEWRRSA-N 228.339 2.901 30 20 BFED N#C[C@H]1CCC[C@H](NCC[C@@H]2CCCCO2)C1 185895257 XXBRCEIQLOQWRA-IHRRRGAJSA-N 236.359 2.618 30 20 BFED C=CCOC(=O)c1nn(-c2ccccc2)cc1C 186171713 OCISXQLIWVHLSK-UHFFFAOYSA-N 242.278 2.524 30 20 BFED CC#CCOc1ccc([C@H]2CCOC2)cc1 190283578 FPQLLYXSSIYUDY-ZDUSSCGKSA-N 216.280 2.593 30 20 BFED C=CCN1CCO[C@H](c2ccc(CC)cc2)C1 190311602 UNNGIXANRDNGJN-HNNXBMFYSA-N 231.339 2.808 30 20 BFED C#CCCCc1nc(-c2ccccc2OC)no1 191819344 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241.294 2.739 30 20 BFED N#Cc1cccc(N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)n1 270095253 YDXFZKPMDCHSQI-VNQPRFMTSA-N 247.301 2.703 30 20 BFED C=C(Cl)CNC(=O)N[C@H]1CC12CCCCC2 271591077 ZVHNKUGPMNMIOD-JTQLQIEISA-N 242.750 2.761 30 20 BFED C=CCNC(=O)C[C@H](C)c1c[nH]c2ccccc12 278861275 UKHOYUZKMVMKCK-NSHDSACASA-N 242.322 2.964 30 20 BFED C=CCN(C)c1nnc(CC2CC2)n1CC(C)C 283075064 QRIOVTKSMWYJPV-UHFFFAOYSA-N 248.374 2.509 30 20 BFED C=C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 287238612 JKERAFLOJOMPLH-UHFFFAOYSA-N 236.246 2.890 30 20 BFED Cc1csc(NC(=O)C2CCC2)c1C#N 288677509 BULAUTFTVBGKME-UHFFFAOYSA-N 220.297 2.667 30 20 BFED C=C[C@H](CO)N[C@@H](C)c1cc(C)sc1C 289738141 KKGMHTZYRUXRJO-GXSJLCMTSA-N 225.357 2.562 30 20 BFED CCS[C@H](C)c1noc(CCCC#N)n1 291057743 JJDIZWXSGPOYLC-MRVPVSSYSA-N 225.317 2.730 30 20 BFED C=C[C@@H](CO)Nc1cc(C(C)C)nc(C(C)C)n1 291224725 WEBOKFJIUQJKJY-NSHDSACASA-N 249.358 2.682 30 20 BFED C=CCN(CCC#N)C(=O)c1ccc(C)c(C)c1 292581818 YPVIFEDWSNVLHT-UHFFFAOYSA-N 242.322 2.845 30 20 BFED C=CCN(CCC#N)C(=O)Nc1cscc1C 292602871 GDBLSWCFHHHYRO-UHFFFAOYSA-N 249.339 2.990 30 20 BFED C=CC(C)(C)C(=O)NCCCc1ccc(O)cc1 295858554 OEHWXSZFNDWGJN-UHFFFAOYSA-N 247.338 2.653 30 20 BFED C=CCCN(C)C(=O)c1cccc2[nH]ccc12 301960252 SOMFZEHUGWBZNF-UHFFFAOYSA-N 228.295 2.816 30 20 BFED C[C@@H]1CSC[C@H]1Nc1cccc(F)c1C#N 304565867 WHODXMODDYCTFG-PRHODGIISA-N 236.315 2.861 30 20 BFED Cc1nc(C#N)cc(N[C@H](C2CCC2)C2CC2)n1 308263764 OCZJOHNQBOXWFE-CQSZACIVSA-N 242.326 2.647 30 20 BFED C=C[C@H](C)NC1CCC(C(F)F)CC1 308647311 IIGNJYMHMXKQGX-IDKOKCKLSA-N 203.276 2.974 30 20 BFED Cc1nnsc1CNc1ccc(CC#N)cc1 310515783 MIHDMDBEHKIAHQ-UHFFFAOYSA-N 244.323 2.525 30 20 BFED CCOC[C@H]1CCCCN1CCCCC#N 313484578 RLBKWGJTFZCRNA-CYBMUJFWSA-N 224.348 2.571 30 20 BFED C=CCC[C@@H](CO)N[C@H](C)CCc1ccco1 320929223 DSDIBRHNYUYXCA-OLZOCXBDSA-N 237.343 2.517 30 20 BFED CCC(C)(C)NC(=O)c1ccc(CC#N)cc1 330475005 IZIUSPWTVJKZEV-UHFFFAOYSA-N 230.311 2.671 30 20 BFED N#C[C@@H]1CC[C@H](N2CCC3(CCC3)C2)C1 334443841 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2.653 30 20 BFED CCCCSCCC(=O)N(C)[C@H](C)CC#N 352076924 ZGQBBARBPLJOQL-LLVKDONJSA-N 242.388 2.670 30 20 BFED CC1(CSc2ccc(C#N)cc2)COC1 353544607 CTMBHTHNFINSGF-UHFFFAOYSA-N 219.309 2.687 30 20 BFED C=CCCC1(C(=O)N2C[C@H](C)[C@@H]2C)CC1 357499599 HRBBYARXSBCKQW-QWRGUYRKSA-N 207.317 2.600 30 20 BFED CC#CCCNC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C 361426333 RHCAFBDOILZOTP-FRRDWIJNSA-N 236.359 2.524 30 20 BFED C=CCOCCCN(CC)CC1CCC1 361481873 RSUGFCFFNHUHPO-UHFFFAOYSA-N 211.349 2.701 30 20 BFED C=C[C@H]1CCCCN1c1nccc(C)c1C#N 362836953 KVWKPKTYEMAQNF-LBPRGKRZSA-N 227.311 2.807 30 20 BFED C=C(C)CCN1C[C@H](N2CCCC2)C[C@@H]1C 375764163 PDFLXVQFAZVHFR-UONOGXRCSA-N 222.376 2.511 30 20 BFED CO[C@H](C1CC1)[C@@H](C)Nc1cccc(F)c1C#N 388336928 HUWQOMRHGFQHNG-OTYXRUKQSA-N 248.301 2.923 30 20 BFED N#CCCC1CCN(Cc2nccs2)CC1 399333129 CGDNVIGQEABIEP-UHFFFAOYSA-N 235.356 2.659 30 20 BFED CCOC1(C)CCN([C@H](C)CCC#N)CC1 411742839 FSUKJGAAXMEWAJ-GFCCVEGCSA-N 224.348 2.570 30 20 BFED N#CCCCN1CCSC[C@H]1C1CCC1 419354019 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30 20 BFED C=CCC(C)(C)C(=O)NN1[C@@H](C)CCC[C@H]1C 907991209 ZVSFSNBKBHVNRZ-TXEJJXNPSA-N 238.375 2.883 30 20 BFED C=C1CN(C(=O)Cc2ccccc2SCC)C1 912445874 IUJOOBRDYQTPPK-UHFFFAOYSA-N 247.363 2.740 30 20 BFED CC(=NNc1cnccn1)c1ccc(C)c(C)c1 912958932 OZJUABJWIZYCNB-UHFFFAOYSA-N 240.310 2.930 30 20 BFED C=CCN(C(=O)CCOc1ccccc1)C(C)C 915147592 FSUDXUGBBJHPDC-UHFFFAOYSA-N 247.338 2.879 30 20 BFED C=C(C)C(C)(C)C(=O)N=S(=O)(CC)CC 925876195 YQTHXKFBMONWNB-UHFFFAOYSA-N 231.361 2.623 30 20 BFED C[C@H]1CC[C@H](C)C1N[C@@H]1CC[C@H](C#N)C1 926614758 KODJVBNKPXJQQG-FIQHERPVSA-N 206.333 2.703 30 20 BFED C=C[C@H](CC)CC(=O)N(C)CCc1ccccn1 930902495 UCFKKSNQNZRXBM-CYBMUJFWSA-N 246.354 2.685 30 20 BFED C=C(C)CCNC(=O)Nc1noc2c1CCCC2 934350343 CWBRSWHUPPGTCQ-UHFFFAOYSA-N 249.314 2.641 30 20 BFED C=CCN(C(=O)[C@H]1CCC[C@H]1OC)C(C)(C)C 1121130371 CVYCJXYENJVYQI-NWDGAFQWSA-N 239.359 2.615 30 20 BFED C=C(CC(C)C)C(=O)NC1C[C@@H](C)O[C@H](C)C1 1123775742 CKOMAFXEGGYXPS-VXGBXAGGSA-N 239.359 2.661 30 20 BFED 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30 20 BFED CC[C@@H](C#N)N(C)C(=O)c1ccc(Cl)cc1 594095358 UDTDLVRPVSIXGD-NSHDSACASA-N 236.702 2.714 30 20 BFED C=CCCSCCNC1CCSCC1 594960007 HUTLKYGCQGXLRZ-UHFFFAOYSA-N 231.430 2.781 30 20 BFED CC[C@H](NC(=O)N1CCC(C)(C#N)CC1)C1CC1 595790157 UBIPNSCHUBINBW-LBPRGKRZSA-N 249.358 2.510 30 20 BFED N#C[C@H](c1ccccc1)N1CC[C@H]2C[C@H]2C1 595811231 URJXTZPNFSGNHB-MELADBBJSA-N 212.296 2.593 30 20 BFED Cc1ccc(C#N)nc1N1CC[C@@H](C2CCC2)C1 596272864 VLGYKKHVFUAEFP-CYBMUJFWSA-N 241.338 2.888 30 20 BFED CC1(CSCc2cccc(C#N)c2)COC1 596416309 SJEXDFDFVKHTIJ-UHFFFAOYSA-N 233.336 2.828 30 20 BFED CC1(C)C[C@H]1NC(=O)CC1(C#N)CCCCC1 596892456 VZFZFURXNXCFMO-LLVKDONJSA-N 234.343 2.765 30 20 BFED C=CCC[C@H](CCC)N[C@H]1C[C@H](C(=O)OC)C1 597241028 BEPGXLNJRCLQAE-AVGNSLFASA-N 239.359 2.663 30 20 BFED COc1ccc(NC[C@@H](C)CCC#N)c(C)n1 602574721 METTZEOLZPCJJT-JTQLQIEISA-N 233.315 2.750 30 20 BFED N#CCCCN1CCCc2sccc2C1 609322583 DAIBVHAVKARLBG-UHFFFAOYSA-N 220.341 2.800 30 20 BFED CC1(C)C(C(=O)N2CCC[C@@](C)(C#N)C2)C1(C)C 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CCC[C@H](C)C(=O)[C@H](C#N)c1cc(C)nc(C)n1 744025879 HTRLIDCSMJXDLF-JOYOIKCWSA-N 245.326 2.706 30 20 BFED C#C[C@H](C)OC(=O)c1ccc(-c2cnco2)cc1 744181592 TUTJBLFWYLZGLK-JTQLQIEISA-N 241.246 2.520 30 20 BFED C=CCCCOC(=O)CCC(F)(F)F 745523258 ZWYZOXKTKOYSTQ-UHFFFAOYSA-N 210.195 2.838 30 20 BFED CC(=NOCC(C)C)c1cnn(C(C)C)c1 749631929 SSQODEUSHFRQEL-UHFFFAOYSA-N 223.320 2.861 30 20 BFED C#C[C@H](CC)NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 753260287 IVDNOFKDGWUNSU-IGQOVBAYSA-N 248.370 2.666 30 20 BFED CCON=C1CCCC[C@@H]1CC(=O)OCC 754922671 GQYZFZWSQMCQNF-SNVBAGLBSA-N 227.304 2.522 30 20 BFED C#CCCCC(=O)N1C2CCCC1CCC2 758495743 REKVOPLVVNWPFY-UHFFFAOYSA-N 219.328 2.724 30 20 BFED C#CCCN(Cc1ccc(N(C)C)cc1)C(C)C 760817875 LRJZKTIWLJKRIN-UHFFFAOYSA-N 244.382 2.986 30 20 BFED CS/C=C/C(=O)Oc1ccc(C#N)c(C)c1 765091909 PHSKISTUZMUXCO-AATRIKPKSA-N 233.292 2.649 30 20 BFED N#CCCCCNC(=O)[C@H](F)c1ccccc1 768991732 RAUXJTGCIHRYBO-GFCCVEGCSA-N 234.274 2.507 30 20 BFED CC[C@@](C)(C#N)NC(=O)[C@H](F)c1ccccc1 769476101 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BFED COC[C@@H](C)C(C)=NNc1cccc(Cl)n1 793161879 MMFRTFVPSWTIPX-MRVPVSSYSA-N 241.722 2.805 30 20 BFED C=CC[C@H](C)NC(=O)C[C@H](O)CC[C@H](C)CC 793518597 ZJBQCEBGZOOYEE-FRRDWIJNSA-N 241.375 2.645 30 20 BFED C#C[C@@H](NC(=O)NC1CCCCCC1)C(C)C 798555973 XWDJGXAVBPXYJV-CYBMUJFWSA-N 236.359 2.666 30 20 BFED C#CCCCCCC(=O)N(C)CCCSC 798737602 UIFYIVYIUGERTB-UHFFFAOYSA-N 241.400 2.782 30 20 BFED C=CCCCNS(=O)(=O)CCCCCCC 799819320 DZIBWUGQZRBUED-UHFFFAOYSA-N 247.404 2.842 30 20 BFED Cn1cnc(/C=C2\CCc3sccc3C2=O)c1 800794085 VRAGUTVDILRVJQ-RMKNXTFCSA-N 244.319 2.694 30 20 BFED C#C[C@@H](CC)NC(=O)NC(C1CCC1)C1CCC1 805348285 VHOKBZNQFRSLLT-ZDUSSCGKSA-N 248.370 2.666 30 20 BFED CC[C@@H](O)CNN=C(C)C1CCC(F)(F)CC1 811655343 LNGCBUSTTOIZSS-LLVKDONJSA-N 248.317 2.548 30 20 BFED COCc1cccc(C=NOC/C=C\Cl)c1 811671830 KXRRYQHLQRDCMU-NNKWFWPSSA-N 239.702 2.936 30 20 BFED CC(=NOCCOC(C)C)c1cncc(C)c1 812237493 CQKXMALMINHHEQ-UHFFFAOYSA-N 236.315 2.556 30 20 BFED CC#CCCOC(=O)[C@@H]1CC2CCC1CC2 814493391 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CC(=NNCc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1O2 834929121 YEKBSBKHIDRWDE-QLFBSQMISA-N 244.338 2.720 30 20 BFED C[C@H]1CC[C@H](C)C(=NNC2CCOCC2)C1 834960737 ALOKIGNLQCOFAT-QWRGUYRKSA-N 224.348 2.567 30 20 BFED C1CC2(C1)CC(=NN[C@@H]1C[C@H]3CC[C@H]1C3)CCO2 834968290 IUHZETXPDCDLLS-SGMGOOAPSA-N 248.370 2.854 30 20 BFED CC[C@H](NN=C(C)[C@H]1CCCC[C@H]1C)C(=O)O 834980818 DFTIEYJZBLEISY-USWWRNFRSA-N 240.347 2.641 30 20 BFED Cc1cnccc1C=NN[C@H](C)C(C)(C)C 834981492 QWAIHRQTRCNRQO-LLVKDONJSA-N 219.332 2.748 30 20 BFED C[C@@H]1CCCC(=NN[C@@H]2CCOC2(C)C)[C@@H]1C 835017381 UZAKBWQCIXEYNR-NQBHXWOUSA-N 238.375 2.956 30 20 BFED C=CCOC(=O)[C@H](CC)CC(F)(F)F 835081015 WVCNLURPWOYKBK-SSDOTTSWSA-N 210.195 2.694 30 20 BFED C=CC(C)(C)C(=O)OCc1cc(OC)cc(C)n1 835260189 OQWKLUXKVCUXKB-UHFFFAOYSA-N 249.310 2.654 30 20 BFED C=C[C@H](C)OC(=O)[C@@H]1CCN(c2ccccc2)C1 835328705 RCLPDGGHXVASJE-QWHCGFSZSA-N 245.322 2.631 30 20 BFED CCC[C@@H](OC)C(=O)OCC(C)(C)CCC#N 835386690 MLDGMCLMRGZSIK-LLVKDONJSA-N 241.331 2.675 30 20 BFED 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C=C(C)CON=C1CC[C@H](C)C[C@@H]1n1cncn1 844618274 NUJVPHICVYETCO-AAEUAGOBSA-N 248.330 2.588 30 20 BFED C=CCCOC(=O)c1cnc2n1[C@@H](C)CCC2 845286298 QLTOAMOXFCEWQS-JTQLQIEISA-N 234.299 2.513 30 20 BFED C=C[C@@H](C)ONC(=O)N1CC(C)(C)[C@@H]1C(C)C 845620431 RJIZFRINAWCCLQ-MNOVXSKESA-N 240.347 2.569 30 20 BFED CC(C)C#CC(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C 846987647 PYODOKAMSFSUAJ-RDBSUJKOSA-N 235.371 2.834 30 20 BFED C=CC(C)(C)CNC(=N)N1CCCCCC1 849035594 NGMOOEPOHBZWEE-UHFFFAOYSA-N 223.364 2.599 30 20 BFED C#CCOCCN1CC[C@H](C)[C@H]2CCCC[C@@H]21 851725536 FLTCKAQYGQPVQZ-ZNMIVQPWSA-N 235.371 2.537 30 20 BFED C#CCCCN1CC[C@@H]1c1ccc(F)cc1 852468125 MEMDQMDHLHXUQR-CQSZACIVSA-N 217.287 2.986 30 20 BFED COCCN(C)N=Cc1cccc(C(C)C)c1 853343363 BGUNGCOIYJRMEX-UHFFFAOYSA-N 234.343 2.722 30 20 BFED N#Cc1nc(N[C@@H]2C=CCC2)ccc1Cl 853800962 IXJOAVJIFLBPMG-MRVPVSSYSA-N 219.675 2.737 30 20 BFED CC(C)C#CC(=O)N[C@@H]1CCC[C@H]1C(C)(C)C 854941553 FQCLQSPOUHBLLP-CHWSQXEVSA-N 235.371 2.977 30 20 BFED 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762417666 IGSAVHHQJDEZFC-RWMBFGLXSA-N 244.342 2.927 30 20 BFED Cc1cc(OC(=O)c2cncs2)ccc1C#N 765112462 DEWLRSDQKJVPSG-UHFFFAOYSA-N 244.275 2.542 30 20 BFED C[C@@H]1CC(C)(C)CC1=NNc1ncccn1 766011821 SGCZAYZACMDVIK-SECBINFHSA-N 218.304 2.701 30 20 BFED Cc1ccc(C=NNC[C@@H](C)C#N)cc1Cl 766454159 VQKUNDCHHCNRSY-VIFPVBQESA-N 235.718 2.732 30 20 BFED CC#CCOC(=O)CO[C@H]1CCCC[C@H]1CC 766815988 POVBAOYBMUQVNU-OLZOCXBDSA-N 238.327 2.538 30 20 BFED C=C(CC)COC(=O)C[C@H]1CSCCS1 773537918 XMUGHHATENAKCU-JTQLQIEISA-N 246.397 2.735 30 20 BFED CCOCCON=Cc1ccc(C)cc1C 774432272 JQMIMHTVLROLCI-UHFFFAOYSA-N 221.300 2.690 30 20 BFED Cc1cc(NN=Cc2cc(F)ccc2C)ncn1 777885760 LUWMRIPFEKXMOJ-UHFFFAOYSA-N 244.273 2.679 30 20 BFED COC[C@H](C)NN=C1C[C@@H](C)c2c(C)cccc21 777893213 NLSIZJWUWUSANW-NEPJUHHUSA-N 246.354 2.831 30 20 BFED CCC1(C)CCC(=NN[C@@H](C)COC)CC1 777902229 PJFNNZVEGGTJTE-AMGKYWFPSA-N 226.364 2.957 30 20 BFED COC[C@@H](C)NN=C[C@@H](C)CCc1ccccc1 777902474 RLQZETADPQOCSQ-UONOGXRCSA-N 248.370 2.866 30 20 BFED c1cc(=NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc[nH]1 779808826 ATAXDLDSZFHRBX-ZZVYKPCYSA-N 241.338 2.728 30 20 BFED C=CCN(c1cccc(F)c1[N+](=O)[O-])C1CC1 784369828 YDMSXNWDEVJIJN-UHFFFAOYSA-N 236.246 2.889 30 20 BFED C=C[C@](C)(CC)COC(=O)c1c[nH]c(C#N)c1 786523027 YLDSKGDXQKXDKY-CYBMUJFWSA-N 232.283 2.645 30 20 BFED C=CCCN(C)C(=O)c1sc(Cl)nc1C 786670584 KFUBGJGKHFJWIB-UHFFFAOYSA-N 244.747 2.753 30 20 BFED C=C(Cl)COC(=O)/C=C\c1cnccc1C 786912907 SZZIGTYWUWVUTI-ARJAWSKDSA-N 237.686 2.699 30 20 BFED CC(=NN[C@H]1CCOC1)c1cc(C)c(C)cc1C 788439644 MBJWOEFDEAKTDD-AWEZNQCLSA-N 246.354 2.714 30 20 BFED Fc1cncnc1NN=C1CCC[C@@H](C2CC2)C1 793218688 YSIOHHQKBCNVMT-SNVBAGLBSA-N 248.305 2.984 30 20 BFED COc1cccc(-c2cccc(C)c2C#N)n1 793368258 JJSLMMXZPFMRDO-UHFFFAOYSA-N 224.263 2.937 30 20 BFED COCCN(C)N=C1CCC(C)(C)C[C@H]1C 794965749 AJRMRKBRKUSVEL-LLVKDONJSA-N 226.364 2.767 30 20 BFED C=CCNN=Cc1nc2ccccc2n1CCC 794993356 XQYAZMWIHKNMNS-UHFFFAOYSA-N 242.326 2.556 30 20 BFED COCCCON=C(C)c1cc(C)c(C)o1 795045647 UASPYSDWIZYOLE-UHFFFAOYSA-N 225.288 2.674 30 20 BFED C=C(C)CCOC(=O)c1ccoc1CC 797557015 WPIXZZCKGHMRQS-UHFFFAOYSA-N 208.257 2.965 30 20 BFED CC1=C(C(=O)OCCCSCC#N)CCC1 805512440 XDYDIWPXLRAMKJ-UHFFFAOYSA-N 239.340 2.677 30 20 BFED C[C@H]1/C(=C\c2ccnn2C)C(=O)c2ccccc21 809155778 FRNYRCLZAVRCNZ-GMROUXNLSA-N 238.290 2.804 30 20 BFED CC(C)(C(=O)Nc1cc(C#N)ccc1O)C1CC1 813501120 RGECJPDOENNUDS-UHFFFAOYSA-N 244.294 2.639 30 20 BFED CC(=NOCC1CC1)c1nc2ccccc2n1C 814243910 SSXQAULSFFYXLV-UHFFFAOYSA-N 243.310 2.724 30 20 BFED CN(CCc1ccccc1F)[C@@H]1CC[C@@H](C#N)C1 815046455 VDIKFEUTJJSDJC-TZMCWYRMSA-N 246.329 2.992 30 20 BFED COCCON=Cc1cccc(C2CC2)c1 817326496 XCBXVCHAGPTQNW-UHFFFAOYSA-N 219.284 2.561 30 20 BFED CC(C)C#CC(=O)N(C)CCCc1ccccc1 822110554 SVZKNSYYKGCPKD-UHFFFAOYSA-N 243.350 2.737 30 20 BFED C#Cc1cccc(N(CC)C(=O)CCCF)c1 825979817 GUKKFXXJHLOZHW-UHFFFAOYSA-N 233.286 2.771 30 20 BFED CC1=CC(=NNc2ccc(C(=O)O)nc2)CCC1 835006753 IMLOOJGWPDQJRO-UHFFFAOYSA-N 245.282 2.678 30 20 BFED C=CCC1(C(=O)OC[C@@H](C)OC)CCCC1 835234619 BCRPTVODNBYPPY-LLVKDONJSA-N 226.316 2.701 30 20 BFED C#C[C@@H](CC)OC(=O)[C@]1(C)CC=CCC1 835309366 NJAPPBZSXVFVLB-WCQYABFASA-N 206.285 2.688 30 20 BFED C#CCCCCCCOC(=O)[C@H](C)OCC 835710204 CWEJNQPZGJEWMA-LBPRGKRZSA-N 226.316 2.538 30 20 BFED CC(C)(C)C#CC(=O)Nc1ccccc1F 837307889 QZBKPVVYKJHHTE-UHFFFAOYSA-N 219.259 2.814 30 20 BFED O=C(C#CC1CC1)OCC1CCCCC1 838367371 JXUYGJWIZWIQMD-UHFFFAOYSA-N 206.285 2.523 30 20 BFED C#CCCCNC(=O)N[C@]1(C)CCCC[C@H]1C 838499666 QBXPDHMOOIPFCQ-TZMCWYRMSA-N 236.359 2.668 30 20 BFED C#C[C@@H](NC(=O)N(CC)C[C@H](C)CC)C(C)C 838596446 ZTTXCEWNLITSII-CHWSQXEVSA-N 238.375 2.722 30 20 BFED C#CCN(C(=O)NC[C@H]1CCC[C@H]1CC)C1CC1 838647953 AVNVIJFKGUWUSE-CHWSQXEVSA-N 248.370 2.620 30 20 BFED N#C[C@H]1CCC[C@@H](OC(=O)Cc2cccs2)C1 839042188 GJRVTKPOTSOFHY-WDEREUQCSA-N 249.335 2.916 30 20 BFED CCCCC(=O)O[C@H]1CCC[C@@H](C#N)C1 839060046 YEKHVUVZDJUQKT-MNOVXSKESA-N 209.289 2.802 30 20 BFED CCC(=NNC[C@@H]1CCSC1)[C@H]1C[C@@H]1C 841639896 WCRFECJRUMYCQE-DCAQKATOSA-N 226.389 2.751 30 20 BFED C=C(C)c1ccc(N2CCCC2=O)cc1 844235423 BMCMUAXUHWCKQQ-UHFFFAOYSA-N 201.269 2.847 30 20 BFED CSCCON=Cc1cc2cnccc2o1 844593565 HYGWHNJYUGDQQY-UHFFFAOYSA-N 236.296 2.541 30 20 BFED C=CC(C)(C)CCOC(=O)c1cnc(C)nc1C 851299193 BZKCKXOOTBBXFW-UHFFFAOYSA-N 248.326 2.853 30 20 BFED C#C[C@@](C)(CC)NCc1cccc(N(C)C)c1 852103132 YEMGOFRYXBQDBG-HNNXBMFYSA-N 230.355 2.644 30 20 BFED CCc1ccccc1NN=Cc1cnc(C)n1C 853288348 AVIMJYCQNMZXTP-UHFFFAOYSA-N 242.326 2.737 30 20 BFED CO[C@H](C=NOC/C=C/Cl)C1CCCC1 853347829 RHSDCDJSOCFLTO-YHWIWXIYSA-N 231.723 2.947 30 20 BFED CCO[C@H]1CCCC1=NN1CCCC[C@@H]1C 853380298 SHJOJMJLXOBFBW-AAEUAGOBSA-N 224.348 2.806 30 20 BFED C=CCN(C(=O)C#CC(C)C)c1ccccc1 854509172 HYHQSHOINJSMQX-UHFFFAOYSA-N 227.307 2.865 30 20 BFED CCCCCCCC(=O)N1CCn2ccnc21 857915121 AOWXNYAXKIZSNC-UHFFFAOYSA-N 235.331 2.590 30 20 BFED C#CCCOC(=O)N1CC[C@@H](c2ccccc2)C1 858925706 NSHODYYNVBOTFI-CQSZACIVSA-N 243.306 2.636 30 20 BFED C=CCCC(=O)OCCCc1ccco1 861017778 RIIAFTLJERPRRR-UHFFFAOYSA-N 208.257 2.722 30 20 BFED CC(=NN(C)[C@H](C)CO)c1cccc(C(C)C)c1 863122626 KGNWBYNDGKLLMD-GFCCVEGCSA-N 248.370 2.847 30 20 BFED C=C1CCN(C(=O)N[C@H]2CCC(F)(F)C2)CC1 864253075 MKOLZGCTRKJOQW-JTQLQIEISA-N 244.285 2.536 30 20 BFED C[C@@H]1CCCN1c1cc(F)c(C#N)cc1[N+](=O)[O-] 865572424 ZTYGHYLKUVVILR-MRVPVSSYSA-N 249.245 2.594 30 20 BFED C=C(C)COC(=O)c1ccc(COC)c(F)c1 869864130 GUSCWCNUJLHBGP-UHFFFAOYSA-N 238.258 2.705 30 20 BFED C=C(C)CCOC(=O)C1(C)CC(F)(F)C1 873441765 BWHVIRGAWVNZBA-UHFFFAOYSA-N 218.243 2.931 30 20 BFED C#CCCCCC(=O)OC1CCSCC1 873557733 WDYMDAUZWVCJOF-UHFFFAOYSA-N 226.341 2.619 30 20 BFED C#CCCCCCCNC[C@](C)(O)CCC 877027338 NAGYCNISLAKUCS-CQSZACIVSA-N 225.376 2.711 30 20 BFED C#C[C@@H](N[C@@H]1CCc2cccnc2CC1)C(C)C 877512816 CCUAPWAPRVQBPL-HUUCEWRRSA-N 242.366 2.576 30 20 BFED N#Cc1cccc(NC(=O)NC[C@@H]2C=CCC2)c1 877947416 VNDCPCIMBMTDPS-LLVKDONJSA-N 241.294 2.646 30 20 BFED C=CC(C)(C)CC(=O)NC1CC(F)(F)C1 879763380 LGXZZXFYMRYCEB-UHFFFAOYSA-N 217.259 2.503 30 20 BFED C=C[C@H](CC)CC(=O)N[C@@H](C)Cc1cccnc1 889680378 VZOKYJMMJWAKMQ-QWHCGFSZSA-N 246.354 2.731 30 20 BFED C=C1CCC(C(=O)Nc2nocc2C)CC1 890887268 POAOIQOCEDKGJP-UHFFFAOYSA-N 220.272 2.668 30 20 BFED N#CCN(C(=O)CC1CCCC1)c1ccccn1 892468651 PLDDELHVPGIAJX-UHFFFAOYSA-N 243.310 2.518 30 20 BFED CC[C@]1(C)CCN(c2cc(C)cc(C#N)n2)C1 892901853 SKQSITLTLOQJBR-CQSZACIVSA-N 229.327 2.888 30 20 BFED C=C(Cl)CNC(=O)/C(F)=C(/C)C1CC1 900759126 DTHIBTOSTCFKMW-VQHVLOKHSA-N 217.671 2.509 30 20 BFED C[C@@H]1NCCN(CCCCC2(C#N)CCC2)[C@@H]1C 903747025 NUTXYLVSHWWJRC-UONOGXRCSA-N 249.402 2.533 30 20 BFED C=CC[S@](=O)CCCC1CCCC1 905223946 LUDVLGYKFHXAIK-ZDUSSCGKSA-N 200.347 2.892 30 20 BFED C=CCCCCCCNC[C@](C)(O)C(F)F 905255200 FYMPAOHIEMLHND-LBPRGKRZSA-N 235.318 2.729 30 20 BFED C=C[C@](C)(CC)C(=O)NCCCCCC(C)=O 909102746 VQHIWSFEYFVGJP-CQSZACIVSA-N 239.359 2.854 30 20 BFED CCC(Cc1ccccc1)=NNc1ncccn1 912974475 XYNYTRUOIKDNMB-UHFFFAOYSA-N 240.310 2.897 30 20 BFED Cc1cc(C)nc(CN(C)CC(C)(C)C#N)c1 930567124 FFMTUCGKMUDBFV-UHFFFAOYSA-N 231.343 2.680 30 20 BFED CC[C@H](C)N(CC)C(=O)Nc1cccc(C#N)n1 931804336 QPADIPLJCJGFLE-JTQLQIEISA-N 246.314 2.606 30 20 BFED Cc1cccc2oc(C(=O)NC3(C#N)CC3)cc12 932890837 KWRALBYLXGEVOR-UHFFFAOYSA-N 240.262 2.527 30 20 BFED COc1cc(O)ccc1C=NOC/C=C/Cl 1117646221 AAMMXSYCEQLMJA-VHDODGMTSA-N 241.674 2.504 30 20 BFED C=C(C)CCC(=O)N1C[C@H](C)S[C@H](C)C1 1120703527 YHOJBHZXQHWFMR-PHIMTYICSA-N 227.373 2.695 30 20 BFED C=C(C)CCC(=O)Nc1cccnc1F 1121220709 ABPZBTPHVFBKSR-UHFFFAOYSA-N 208.236 2.516 30 20 BFED C=CCC1(C(=O)Nc2cncnc2C)CCCC1 1121269147 DXRHYNYUBATODV-UHFFFAOYSA-N 245.326 2.860 30 20 BFED C=C[C@@H](C(=O)N1CC(CC)C1)c1ccccc1 1123898504 HVIZSLWSEILNNJ-CQSZACIVSA-N 229.323 2.825 30 20 BFED C#CC[C@@H](NCc1cc(C)[nH]n1)c1ccccc1 1319608374 RXASYEQJDYRYKZ-OAHLLOKOSA-N 239.322 2.572 30 20 BFED C=CCC(C)(C)CN=c1c(C)c[nH]cc1[N+](=O)[O-] 1324176258 XRMHINQOVZFLCK-UHFFFAOYSA-N 249.314 2.734 30 20 BFED C[C@]1(C#N)CCCN(Cc2cccn2C2CC2)C1 1324371244 YGIVEUWYHMVYTN-OAHLLOKOSA-N 243.354 2.949 30 20 BFED C=CCC1(C(=O)NOC(C)C)CCCCC1 1325260596 BIYNDWBUEXJNEW-UHFFFAOYSA-N 225.332 2.969 30 20 BFED CC(C)C#CC(=O)NCCCCC(C)(C)C 1328759300 OYAFDVHXDMVPNU-UHFFFAOYSA-N 223.360 2.978 30 20 BFED C=CCC[C@H]1CCCN1C(=O)c1ncoc1CC 1336215640 DCLXKVLOSYJBQP-NSHDSACASA-N 248.326 2.808 30 20 BFED C=C[C@@H](CC)CC(=O)N1C[C@H]2CCCC[C@H]21 1338384079 PFLRRLKPUBIAIZ-YNEHKIRRSA-N 221.344 2.990 30 20 BFED C=C(CC)C(=O)Nc1cc(CC)ccc1O 1346711098 ONLHKBHKZSLFRY-UHFFFAOYSA-N 219.284 2.859 30 20 BFED C=C(CC)C(=O)N1[C@H]2CC[C@H]1CC(F)(F)C2 1350111985 UUBGDHWFLRJKPG-UWVGGRQHSA-N 229.270 2.741 30 20 BFED C=C[C@@H](CC)OC(=O)Cc1c[nH]c2cnccc12 1357664534 WELNWHYZKFNOPX-NSHDSACASA-N 244.294 2.613 30 20 BFED C#CC[C@H](C)OC(=O)Cc1ccc(OC)cc1C 1357920854 UTXAQBYSOIQZIF-LBPRGKRZSA-N 246.306 2.501 30 20 BFED CC[C@H]1CCN(c2ccncc2C#N)[C@H]1C 1472764078 WYOWGVXYYDGFHW-QWRGUYRKSA-N 215.300 2.578 30 20 BFED C=C(CC)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C 1521676219 AAGZWVVLRDAKRL-WDEREUQCSA-N 209.333 2.894 30 20 BFED C=C(C)C[C@H](C)C(=O)O[C@@H](CC)[C@H](C)C(=O)O 1609225991 DVZLAZJWOCNILR-DCAQKATOSA-N 242.315 2.631 30 20 BFED C=CCc1ccccc1CNC[C@@H](C)CC(=O)O 1776189522 HBRGORQNRKQLFP-LBPRGKRZSA-N 247.338 2.616 30 20 BFED C[C@@H]1CCCN1CCCOc1cccc(C#N)c1 37910785 JRLTYAOVCLGECR-CYBMUJFWSA-N 244.338 2.811 30 20 BFED N#C[C@@H](NC(=O)c1ccsc1)C1CCCCC1 40360258 KECGDPKJWXZDOS-GFCCVEGCSA-N 248.351 2.950 30 20 BFED CC[C@@H](C#N)C(=O)N(C)c1cc(C)cc(C)c1 49990474 BFQQYOBGMHQFHG-LBPRGKRZSA-N 230.311 2.816 30 20 BFED CC[C@@H](CC#N)NC(=O)Nc1ccc(C)cc1 54178276 DIEAWDVNWFYMFA-NSHDSACASA-N 231.299 2.809 30 20 BFED C[C@@H](C#N)CNCc1cc2ccccc2o1 54179709 QUOGIPKUZRMDMF-JTQLQIEISA-N 214.268 2.682 30 20 BFED C=C(C)CN(CC)C(=O)CCc1nccs1 56969505 VOIWZVGLURCTPF-UHFFFAOYSA-N 238.356 2.500 30 20 BFED C[C@H]1CCC[C@](C#N)(NC(=O)C2CC=CC2)C1 77005080 LKMIDGIDLBNYOU-FZMZJTMJSA-N 232.327 2.541 30 20 BFED CC(C)N(C)C(=O)c1cccc(SCC#N)c1 79395561 MTXWSELMYODLBA-UHFFFAOYSA-N 248.351 2.783 30 20 BFED N#C[C@H](OC(=O)c1ccco1)C1CCCCC1 84517587 PPICZKUQBPTSIP-LBPRGKRZSA-N 233.267 2.909 30 20 BFED CC[C@H](C#N)OC(=O)c1ccc(C)s1 84713224 QEGAHKDGERDPDP-MRVPVSSYSA-N 209.270 2.516 30 20 BFED C[C@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)C[C@@H]1C 94593324 KPNLGUPRQWXSPX-UWVGGRQHSA-N 245.282 2.559 30 20 BFED C#CCOC(=O)[C@@H](CC)Sc1ccccc1 111946110 MQZHWOGLMOVUDW-GFCCVEGCSA-N 234.320 2.734 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)c1c(C)oc(C)c1C 112009920 ZZFNRDPFUXQTAI-VIFPVBQESA-N 248.326 2.827 30 20 BFED CC(C)OCCCOC(=O)c1cccc(C#N)c1 113464431 NAPCIGBHMITWTH-UHFFFAOYSA-N 247.294 2.530 30 20 BFED CN(CCCC#N)[C@H]1CCc2ccccc2C1 114489016 CBUJMZILADYIDY-HNNXBMFYSA-N 228.339 2.779 30 20 BFED CC(C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 122504729 RJKRATFXTOQKBU-UHFFFAOYSA-N 233.315 2.709 30 20 BFED C[C@H]1CC[C@H](C)N1CCOc1ccc(C#N)cc1 123239135 SLYSMVXWVKFELY-STQMWFEESA-N 244.338 2.810 30 20 BFED Cc1cc(F)ccc1C(=O)N[C@@H](C#N)C(C)(C)C 125719044 FWCLHGVDOIZRHD-LBPRGKRZSA-N 248.301 2.802 30 20 BFED C=CCC[C@H](O)CN1CCC2(CCCC2)CC1 130307988 VDEKWGJRRSATHM-AWEZNQCLSA-N 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2.654 30 20 BFED C=C(Br)COC(=O)/C(C)=C\CC 255025072 KJAPGALMPNLOAI-ALCCZGGFSA-N 233.105 2.795 30 20 BFED Cc1ccc(C)c(/C=C\C(=O)c2cnn(C)c2)c1 255634163 PECADZQCYLYLQX-SREVYHEPSA-N 240.306 2.933 30 20 BFED C=CCC[C@@H](CC)N[C@H](CCCC)C(=O)O 263435824 UOMLTSZLAWHJBE-VXGBXAGGSA-N 227.348 2.964 30 20 BFED C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 264047263 RTQBZKRHKHVXJK-SECBINFHSA-N 247.273 2.571 30 20 BFED C=C1CCN(C(=O)/C=C(\C)C2CC2)CC1 264141864 HPWWHAJTXZHCFR-PKNBQFBNSA-N 205.301 2.521 30 20 BFED C=CCN(CC=C)C(=O)c1sccc1OC 264375510 NRQCCUBFMMKZDT-UHFFFAOYSA-N 237.324 2.571 30 20 BFED C=C1CCN(CC(=O)Nc2ccc(C)cc2)CC1 264480006 PRQSTMPKYHYBCQ-UHFFFAOYSA-N 244.338 2.586 30 20 BFED C[C@H](C#N)CN(C)Cc1c(O)cccc1Cl 271133788 QJUDBCNVNBUSNL-SECBINFHSA-N 238.718 2.637 30 20 BFED C=CCCCCNCc1cccc(O)c1 274612466 UCURYHGFWRARCI-UHFFFAOYSA-N 205.301 2.838 30 20 BFED C=CCCCCNC(=O)c1scnc1CC 274623005 MWIFZXCPMRYFLM-UHFFFAOYSA-N 238.356 2.792 30 20 BFED C=CCCN(C)C(=O)c1ccc(OCC)cc1 276028512 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BFED C#CCC(C)(C)c1nc(-c2cc(C)ccn2)no1 290218390 WNVOMJNLHPSXCP-UHFFFAOYSA-N 241.294 2.741 30 20 BFED C#CCCCN(C)CCc1ccccc1C 295611297 DDVHYFIMNWUDDK-UHFFFAOYSA-N 215.340 2.883 30 20 BFED C=CC(C)(C)C(=O)N1CCSCC[C@@H]1C 298047759 PTXZRHHUCVXXTN-JTQLQIEISA-N 227.373 2.553 30 20 BFED CCC(CC)(CC)CNc1ccc(C#N)nn1 301946404 HDEUCIUINBVWJB-UHFFFAOYSA-N 232.331 2.977 30 20 BFED N#Cc1cccc(C#N)c1NCc1cccc(O)c1 302841987 MIFVSYXSPRJQKK-UHFFFAOYSA-N 249.273 2.748 30 20 BFED C[C@H](C#N)OCCOc1ccc(Cl)c(F)c1 304220199 HJOLUDJOLJIRJL-MRVPVSSYSA-N 243.665 2.787 30 20 BFED C[C@@H](C#N)OCCN1CC[C@H](CC(C)(C)C)C1 307775274 MMARBIXVBHPUPT-QWHCGFSZSA-N 238.375 2.673 30 20 BFED Cc1nc(C#N)cc(Sc2cccc(F)c2)n1 308284028 WXKQUNGBFWKORS-UHFFFAOYSA-N 245.282 2.947 30 20 BFED C=CCCCCOC(=O)/C=C/SC 308295721 IANFYTDMDQJQBH-VQHVLOKHSA-N 200.303 2.763 30 20 BFED C=CCCOC(=O)c1ccc(N)c(Cl)c1 309004399 PENGTBUHHNZNSL-UHFFFAOYSA-N 225.675 2.655 30 20 BFED C=CC[C@@H](CO)CN[C@H]1CCCCC1(C)C 309375784 CPDFARQDEXIJCK-OLZOCXBDSA-N 225.376 2.729 30 20 BFED CC#CCCNCc1cnc(CC(C)C)s1 309409289 XSEJBDJSWIKQJH-UHFFFAOYSA-N 236.384 2.845 30 20 BFED C=CCCCCC[C@H](C)N[C@@H](C)C[S@](C)=O 309422765 AGTRJQBQLQPYPK-XEZPLFJOSA-N 245.432 2.868 30 20 BFED C=CC[C@@H](CO)CNC1CCC(C)(C)CC1 309793424 PQSODOYXNYSPTD-GFCCVEGCSA-N 225.376 2.729 30 20 BFED CCc1cccnc1[C@@H](C)NCCCC#N 309980393 VVFCGADMZXPTBL-LLVKDONJSA-N 217.316 2.598 30 20 BFED CCn1ccnc1CNc1cccc(CC#N)c1 313405349 BLNVASJQCFUYHW-UHFFFAOYSA-N 240.310 2.581 30 20 BFED O/C(=N/C1CCC1)c1cc(O)nc(C2CC2)c1 329960217 NUPZLCWPBFQHCM-UHFFFAOYSA-N 232.283 2.522 30 20 BFED C=CCC1(C(=O)N[C@@H]2CCC[C@H]2C#N)CCC1 331758220 IESOYYMNKSMTAN-NWDGAFQWSA-N 232.327 2.541 30 20 BFED C[C@H](C#N)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 332717370 QPKFLYBJLQOJGX-MROQNXINSA-N 234.343 2.621 30 20 BFED C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)CC#N 334310919 LEQKKFOQACOCLG-OCCSQVGLSA-N 242.322 2.695 30 20 BFED C[C@H](C(=O)N1CCC[C@H]1C)c1cccc(C#N)c1 334504856 FOPQFDZGXKAJTF-NEPJUHHUSA-N 242.322 2.673 30 20 BFED C=C[C@@H]1CCCCN1C(=O)[C@H]1CC=CCC1 334644255 SSNKAVBDDLTVEY-QWHCGFSZSA-N 219.328 2.910 30 20 BFED CC1(C)CCCN(C[C@H]2CCCCO2)[C@@H]1C#N 334695401 CCEXGLSDUVEWAZ-CHWSQXEVSA-N 236.359 2.570 30 20 BFED N#CC1(CNC(=O)c2ccccc2Cl)CCC1 334886106 NJRUYDKSPSDMLU-UHFFFAOYSA-N 248.713 2.764 30 20 BFED C=C[C@H]1CCCCN1Cc1cc(C)no1 335183979 LBQDMRLZJASVGL-NSHDSACASA-N 206.289 2.524 30 20 BFED C[C@H]1C[C@@]1(NCC#N)c1ccc(Cl)cc1 335604155 SZGZDTVSMNXCEX-CABZTGNLSA-N 220.703 2.688 30 20 BFED C[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(C#N)c2)C1 335839947 GIXILDACIQYMFD-BXUZGUMPSA-N 242.322 2.819 30 20 BFED Cc1csc(C(=O)N(C)CC(C)(C)C#N)c1 336292771 DOKDOXYVRNBGMK-UHFFFAOYSA-N 236.340 2.678 30 20 BFED CC(C)[C@H]1N(C(=O)CC(C)(C)C#N)CC12CCC2 336481639 QWOISEQPWNSQSS-CYBMUJFWSA-N 248.370 2.963 30 20 BFED Cc1cc(C)c(C#N)c(N[C@H]2C[C@@H]2C(F)F)n1 336517405 HDZQLMFPJXWHSS-WPRPVWTQSA-N 237.253 2.636 30 20 BFED C=CCN(CC=C)C(=O)c1cccc(C#N)c1C 337890034 GXAPRNXBBFVHNN-UHFFFAOYSA-N 240.306 2.681 30 20 BFED C=CCCOCCNC[C@@H]1C[C@H]1c1ccccc1 348253291 CXYVHMLADVQMTJ-HOTGVXAUSA-N 245.366 2.972 30 20 BFED Cc1ccc(OCC2(C#N)CC2)cc1[N+](=O)[O-] 349144213 OVSNZDSSROBBLT-UHFFFAOYSA-N 232.239 2.586 30 20 BFED C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H]2C[C@@H]2C)no1 350142959 MUZAJVXYECDNPG-LNFKQOIKSA-N 234.299 2.642 30 20 BFED CC(C)(CCC#N)CNC(=O)Nc1ccccn1 350342305 NXJQOVMBWWGPKL-UHFFFAOYSA-N 246.314 2.533 30 20 BFED C=CCCN1CCS[C@@H]2CCCC[C@@H]21 351406488 DVVCNPVFPFPFKX-NWDGAFQWSA-N 211.374 2.923 30 20 BFED COCCCCN[C@H]1CCc2ccc(C#N)cc21 353387341 ODQRDOSTLYMLSP-HNNXBMFYSA-N 244.338 2.562 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@@H]1CCCSC1 355291372 KNOYEPTZHVFDBT-GHMZBOCLSA-N 227.373 2.601 30 20 BFED Cc1ccsc1CCNc1cccnc1C#N 357486043 RXJBANAWOQLHOS-UHFFFAOYSA-N 243.335 2.978 30 20 BFED C=CCN(C(=O)c1cc(CC)ccc1O)C1CC1 357946087 TUXQOQLKKBJXJC-UHFFFAOYSA-N 245.322 2.745 30 20 BFED C=C[C@@H](C)NC(=O)[C@H](CC)Oc1cccc(C)c1 362592400 NUVWUVJEKXHISK-OCCSQVGLSA-N 247.338 2.843 30 20 BFED N#CCN1CCC[C@H]1CCC1CCCC1 362953107 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2.768 30 20 BFED CCCC[C@H](CCC)NC(=O)NC[C@@H](C)C#N 182701457 OXFXQBCMHFAOII-RYUDHWBXSA-N 239.363 2.804 30 20 BFED N#CCN1CCCC2(CCCCC2)CC1 190317769 SNOKSBYPTYFZFA-UHFFFAOYSA-N 206.333 2.946 30 20 BFED C#CCCCC(=O)N(C)[C@H]1CCCC[C@H]1C 192130887 GFUNXYZORYAMMR-OLZOCXBDSA-N 221.344 2.827 30 20 BFED C=CCCCCCSc1nnc(N)s1 194359238 JUQJIWAHCFKNKI-UHFFFAOYSA-N 229.374 2.959 30 20 BFED Cc1ccsc1C(=O)N1CCC(C)(C#N)CC1 227516405 IJBLMQZTSCSRRF-UHFFFAOYSA-N 248.351 2.822 30 20 BFED CCCCCCCC(=O)NCCC[C@H](C)O 228660548 XSOMFNCBJRFNJS-LBPRGKRZSA-N 229.364 2.624 30 20 BFED N#CCOc1cccc(NC(=O)CC2CCC2)c1 231288486 LZRUTFBSXRILNK-UHFFFAOYSA-N 244.294 2.718 30 20 BFED COc1cc(CN(C)[C@H](C)C2CC2)ccc1C#N 234937050 SLUDHVADXJCWHY-LLVKDONJSA-N 244.338 2.797 30 20 BFED C=CCC[C@H](O)CN1C[C@H](C)CCC[C@@H]1C 247338030 JIMYTLSIQJIGBF-RDBSUJKOSA-N 225.376 2.824 30 20 BFED C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CCOC1 249399811 UQHUCZWXSAUGIV-GXTWGEPZSA-N 244.338 2.588 30 20 BFED CC[C@](C)(C#N)C(=O)NC[C@H]1CCCC[C@H]1C 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CCC1(C)CCN(Cc2cc(C#N)n(C)c2)CC1 276740197 IQDLYGCYIRYXRK-UHFFFAOYSA-N 245.370 2.909 30 20 BFED CC[C@@H](O)CCN[C@H](CC)c1ccc(C#N)cc1 278665014 IXRYEXUOSIEJFA-HUUCEWRRSA-N 246.354 2.760 30 20 BFED C=CCN(C)C(=O)c1cccc2c1OCC2(C)C 279770517 QEWJEFOPFHKVRG-UHFFFAOYSA-N 245.322 2.615 30 20 BFED CCc1occc1C(=O)N(CCC#N)CC1CC1 280501352 IYNGGHOEVIHIHX-UHFFFAOYSA-N 246.310 2.608 30 20 BFED CC1(C)CC[C@H]1NC(=O)c1ccc(F)c(C#N)c1 287387343 YAZONMPEIVOXFX-GFCCVEGCSA-N 246.285 2.616 30 20 BFED C#Cc1ccc(CNCCCOCC2CC2)cc1 289245314 LJUOURXZZWFNID-UHFFFAOYSA-N 243.350 2.574 30 20 BFED Cc1ccc(C)c(C(=O)N[C@]2(C#N)CC2(C)C)c1 291402231 HXPFUTGFPDZYGI-HNNXBMFYSA-N 242.322 2.726 30 20 BFED C=CCN(CCC#N)C(=O)C=C1CCCCC1 292245006 DXDMQZKNCZEXMC-UHFFFAOYSA-N 232.327 2.805 30 20 BFED C=CCOCCOc1ccc(C=O)cc1Cl 292719365 SBDQVWLNVPHWKQ-UHFFFAOYSA-N 240.686 2.734 30 20 BFED N#Cc1ccc(Cl)cc1N1C[C@H](F)[C@H](F)C1 294885592 CKIAPTRUNCTEGS-AOOOYVTPSA-N 242.656 2.708 30 20 BFED C=CC(C)(C)C(=O)Nc1cc(C(C)=O)ccc1O 294956229 KQGPGJQBOQULEZ-UHFFFAOYSA-N 247.294 2.746 30 20 BFED CC1(C#N)CCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1 300240105 IHOFBVKZGXJDGK-ITGUQSILSA-N 246.354 2.575 30 20 BFED C#C[C@@H](NC(=O)[C@H](C)CCCC)C(C)C 300985845 VAFOLWKOMRVONF-VXGBXAGGSA-N 209.333 2.587 30 20 BFED CC[C@H](CC(C)C)C(=O)N(C)[C@@H](C)CC#N 308084861 FMLHKEORRLNBPG-NWDGAFQWSA-N 224.348 2.819 30 20 BFED C=C(C)CNC[C@H]1C[C@@H]1c1ccccc1 309009932 RIMNBSNMLGJXLO-ZIAGYGMSSA-N 201.313 2.956 30 20 BFED C=C(Cl)CN[C@@H]1CCc2ccccc2OC1 309660851 XWJJFUZRVLDIKH-GFCCVEGCSA-N 237.730 2.722 30 20 BFED CCC[C@@H](CC)NCc1ccc(C#N)cn1 310015702 KVBIGDCMOTXQFH-GFCCVEGCSA-N 217.316 2.622 30 20 BFED Cc1cnc([C@@H](C)Nc2ccc(C#N)c(C)n2)o1 310907059 OBPQHONNEIBFHN-SNVBAGLBSA-N 242.282 2.731 30 20 BFED C[C@@H]1CSC[C@H]1Nc1cccc(CC#N)c1 313437140 MPOMDTFSHKYOQZ-ZWNOBZJWSA-N 232.352 2.916 30 20 BFED C=C(CC)CNc1cccc(C(=O)O)c1 313504742 XHKNYPNWGOOZET-UHFFFAOYSA-N 205.257 2.763 30 20 BFED C=CCC[C@H](CO)N[C@@H]1CC[C@@H](C)[C@H](C)C1 320711581 HAFTYKOEMUEYGA-AAVRWANBSA-N 225.376 2.728 30 20 BFED C=CCC[C@@H](CO)NC(=O)[C@H](CC)CCCC 321259267 SIISKXCLEJNPFV-OLZOCXBDSA-N 241.375 2.646 30 20 BFED C=CCC[C@@H](CO)N[C@H](C)c1cc(C)ccc1O 321450404 NWLULTPUIHRHFO-OLZOCXBDSA-N 249.354 2.678 30 20 BFED Cc1nc2ccc(N=C(O)C3(C)CCC3)cn2n1 328989557 HXTICGXYEMQEOK-UHFFFAOYSA-N 244.298 2.816 30 20 BFED Cc1ncoc1/C(O)=N/C[C@]1(C)CCCS1 329815084 UYVSSXWQSOOZTL-NSHDSACASA-N 240.328 2.573 30 20 BFED CC[C@@H]1OCCC[C@@H]1C(O)=Nc1ccnnc1C 330232326 FKILAZOENFHLPX-JQWIXIFHSA-N 249.314 2.578 30 20 BFED N#C[C@H]1CC[C@H](N2CCC(C(F)(F)F)CC2)C1 334368124 SAEKLEQBSVUBRV-ONGXEEELSA-N 246.276 2.953 30 20 BFED CCC1(C)CCN(C(=O)CC(C)(C)C#N)CC1 334394571 BQDYAWYCUPSIOQ-UHFFFAOYSA-N 236.359 2.965 30 20 BFED N#Cc1ccc(C(=O)N2[C@H]3CCC[C@H]2CC3)cc1 334793528 MCOPMMZQKWEOPA-KBPBESRZSA-N 240.306 2.715 30 20 BFED Cc1cc(CN[C@@H]2CS[C@H](C)C2)ccc1C#N 334854196 QAZHCCXHJTYWFA-RISCZKNCSA-N 246.379 2.850 30 20 BFED C=C[C@H]1CCCCN1C(=O)[C@@H](C)C1CC1 336094739 LPRATWVYGDJCRR-JQWIXIFHSA-N 207.317 2.600 30 20 BFED N#Cc1ccc2c(c1)CCC[C@@H]2NCC1CC1 336387628 IRHVEWRDVFBGCX-HNNXBMFYSA-N 226.323 2.935 30 20 BFED CCCC[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C 337459927 LSRNPVADLKYKKO-AAEUAGOBSA-N 224.348 2.867 30 20 BFED C=CCN1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 339443307 NAHGFGUKPMRQTP-SNVBAGLBSA-N 237.265 2.604 30 20 BFED C=CCCN(C)c1ccnc2ccncc12 341431965 LZGYRFAZGXTUAL-UHFFFAOYSA-N 213.284 2.642 30 20 BFED C=CCC[C@@H](C)N[C@H](CO)Cc1ccccc1C 343451292 XTUQPPSYGASFJH-ZBFHGGJFSA-N 247.382 2.843 30 20 BFED CC#CCN1CCCn2c(cc3ccccc32)C1 347505691 WKHDGQGVMZBJPJ-UHFFFAOYSA-N 238.334 2.870 30 20 BFED C=CCOCCCN1CCCC[C@@H]1C=C 348177816 IDXQZWBEMQEEQS-ZDUSSCGKSA-N 209.333 2.620 30 20 BFED C=C[C@](C)(CCOC)C(=O)NCCC1(C)CC1 348633701 GBAGGYQBJYCDFV-CQSZACIVSA-N 239.359 2.522 30 20 BFED CCN(Cc1ncc(Cl)s1)C[C@@H](C)C#N 352010784 JOFOJFKQDIYKDD-QMMMGPOBSA-N 243.763 2.778 30 20 BFED C=CCN(CCc1ccc(OC)cc1)C1CC1 357531392 RTKVHQCNPAXDNK-UHFFFAOYSA-N 231.339 2.888 30 20 BFED C=C(CC)CN1CCc2ccccc2[C@H]1CO 358612363 PFVLSWZUEIAUQF-OAHLLOKOSA-N 231.339 2.544 30 20 BFED C=CCCCC(=O)N1CCC[C@@H]1C(C)C 359075034 SBETXWGDNPBIKM-GFCCVEGCSA-N 209.333 2.990 30 20 BFED C=CCCC(=O)N(CCC)CCN(CC)CC 359457309 IXBBJIMLAMUSCP-UHFFFAOYSA-N 240.391 2.533 30 20 BFED C=C(C)CN(C)C(=O)[C@H](C)c1cccc(C#N)c1 360769013 PLXPZIRABYYLIT-GFCCVEGCSA-N 242.322 2.696 30 20 BFED CC1(C)C[C@]1(C#N)NC(=O)CCCC(F)(F)F 362172554 DRAIRVXYCNKADN-SNVBAGLBSA-N 248.248 2.527 30 20 BFED C=C[C@H](C)NC(=O)Nc1ccccc1CC 362631833 SBETVDIOOUOJEG-JTQLQIEISA-N 218.300 2.945 30 20 BFED CC1(C)CN(CCCCC#N)[C@H]1[C@H]1CCCO1 368582748 GYDXBSMGUJBAEI-OLZOCXBDSA-N 236.359 2.570 30 20 BFED C=CC[C@H](C)[C@@H](C)NCCOC1CCC1 389887858 SXGYGDRDHOFINI-NWDGAFQWSA-N 211.349 2.746 30 20 BFED CC(F)(F)CCNCc1ccc(C#N)c(F)c1 404106618 YTVKVEBMNLTQBK-UHFFFAOYSA-N 242.244 2.832 30 20 BFED C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC 413814174 FJIOJQVNYOOHAI-AWEZNQCLSA-N 246.354 2.835 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@H]1CCN(CC(F)F)C1 417398291 YVEBSZCAMRMHFI-SRVKXCTJSA-N 246.345 2.516 30 20 BFED C=CCOCCOc1ccc(C)cc1OC 418783388 AXYJHGYGVDRDRT-UHFFFAOYSA-N 222.284 2.585 30 20 BFED CCCc1[nH]ccc1C(=O)N(CC)C[C@H](C)C#N 421749278 HOCCNTXHCATXJY-LLVKDONJSA-N 247.342 2.589 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](OC)C1CC1 424876393 QLWLTJNGGQKXBU-CMPLNLGQSA-N 239.359 2.518 30 20 BFED C=C[C@H]1CCCCN1C(=O)NCCC1CC1 426042980 GCJVPKGRRJSYRC-LBPRGKRZSA-N 222.332 2.537 30 20 BFED CC(C)[C@@H]1CCCN(c2cnccc2C#N)C1 436468007 CDIDJXBICPORPL-CYBMUJFWSA-N 229.327 2.826 30 20 BFED C=CCSCCNCc1ccc(C#N)c(C)c1 443990341 OAYPOOAFUVSEGE-UHFFFAOYSA-N 246.379 2.876 30 20 BFED C=CCCCC[C@@H](C)NC[C@@H](O)C1CCC1 449741860 WOMPZZKAMGEFAU-TZMCWYRMSA-N 225.376 2.872 30 20 BFED CC[C@H](Nc1nccc(C)c1C#N)C(F)F 450564311 MTRGKIZONZGPBI-VIFPVBQESA-N 225.242 2.717 30 20 BFED C=CCC(C)(C)c1noc(/C=C\[C@@H]2CCOC2)n1 453191107 WDJIDPSMTPLHGQ-ISALQUGTSA-N 248.326 2.973 30 20 BFED C=CCC(C)(C)CNC(=O)NCC(=C)CC 454990500 BAPFASIEIAHSMJ-UHFFFAOYSA-N 224.348 2.854 30 20 BFED C=C(C)CCNC(=O)[C@@]1(C)CCC[C@H]1C 456118926 IXOWCKKUBCEREE-YPMHNXCESA-N 209.333 2.895 30 20 BFED CC[C@@H]1CCCN1C(=O)NCC(C)(C)CC#N 459255493 GZWBULQLQZIDTP-LLVKDONJSA-N 237.347 2.510 30 20 BFED C=CCCCCNC(=O)C1=C(C)CCC1 471670812 IMKMUSWBOTUYQS-UHFFFAOYSA-N 207.317 2.959 30 20 BFED C=CCn1cccc1C(=O)N[C@H](C)[C@H](C)CC 488955385 OWUCSZKCPDKJQP-VXGBXAGGSA-N 234.343 2.839 30 20 BFED C=C[C@H]1CCCCN1Cc1nnc(C)n1CCC 489458389 RQULETLXNUMCPL-ZDUSSCGKSA-N 248.374 2.537 30 20 BFED C#C[C@@H](CCC)NC(=N)Nc1cccc(CC)c1 491754539 TWKOPFBIKQIXFQ-ZDUSSCGKSA-N 243.354 2.987 30 20 BFED C#C[C@H](C)N(C)C(=O)c1ccc(C(C)C)cc1 491783315 NPUMMGWFRJFNRS-LBPRGKRZSA-N 229.323 2.904 30 20 BFED C=CCN(C(=O)/C=C/c1ccsc1)C1CC1 492382143 FZMNCKFQYUXNHX-ZZXKWVIFSA-N 233.336 2.938 30 20 BFED CC(C)[C@@H](C#N)NC(=O)C[C@H]1CCCC[C@H]1C 546011062 OTGCKUBVGDIHTG-JHJVBQTASA-N 236.359 2.867 30 20 BFED C=CCC(CC=C)C(=O)Nc1nc(CC)co1 559318207 TVLBUYACNLZHBZ-UHFFFAOYSA-N 234.299 2.944 30 20 BFED C=CCN(C)c1nnc(CC(C)(C)C)n1C1CC1 565130611 MAEFSJZJXIBNRZ-UHFFFAOYSA-N 248.374 2.824 30 20 BFED C[C@@H](CC#N)N(C)C(=O)[C@H]1CC[C@H](C)CC1 568754902 ORPAFHMUUWIHFO-SRVKXCTJSA-N 222.332 2.573 30 20 BFED N#CC1(CNCC2Cc3ccccc3C2)CCC1 570500873 VMESRNNYALFWJW-UHFFFAOYSA-N 240.350 2.685 30 20 BFED Cn1nccc1C(=O)/C=C\c1ccccc1Cl 588594510 MDJGKGGDIZQNIH-SREVYHEPSA-N 246.697 2.970 30 20 BFED C/C=C/C=C\C(=O)Oc1ccc(C#N)c(OC)c1 588596338 PQNNRIRARUHPEU-ICWBMWKASA-N 243.262 2.605 30 20 BFED CC(C)c1ccc2c(c1)CN(CC#N)CC2 595656567 CFMHSTTZJVWYHZ-UHFFFAOYSA-N 214.312 2.692 30 20 BFED Cn1ncc(C#N)c1N[C@@H]1CCCC(C)(C)C1 596202446 DWKYYLFLBLDHPS-LLVKDONJSA-N 232.331 2.672 30 20 BFED C[C@@H](C#N)N(C(=O)[C@@H]1CCCC1(C)C)C1CC1 598138736 UVHRLOCYCORNET-JQWIXIFHSA-N 234.343 2.716 30 20 BFED CCCC[C@@H](C(=O)N[C@H](C)CC#N)C(C)C 598683313 RHJDVAFLFCWZRU-VXGBXAGGSA-N 224.348 2.867 30 20 BFED C[C@@H](CCC#N)CN[C@H](C)Cc1ccncc1 602560888 AKBQFVIWAQVKIT-QWHCGFSZSA-N 231.343 2.542 30 20 BFED C[C@@H](C#N)CNC[C@@]1(C)C[C@@H]1c1ccccc1 602608690 VVGJGJPQJDJZKB-NWANDNLSSA-N 228.339 2.929 30 20 BFED C=CCC1(CNC(=O)CCCF)CCCC1 615976602 OQFRDOJGHILZLG-UHFFFAOYSA-N 227.323 2.989 30 20 BFED C=CCN(C(=O)C1CCSCC1)C(C)(C)C 622944469 UFRKYRVZPWTUBS-UHFFFAOYSA-N 241.400 2.943 30 20 BFED C=CCN(C(=O)[C@H]1CCO[C@@H](C)C1)C(C)(C)C 622945242 YKXOTAVPIMZAQL-RYUDHWBXSA-N 239.359 2.615 30 20 BFED C=CCCN(C)Cc1ccnn1CC(C)C 648027849 CNKYUYBYLQNDRM-UHFFFAOYSA-N 221.348 2.547 30 20 BFED C=CCC(C)(C)CNCc1cnc2n1CCC2 657473282 IJRSUNJYRRSVOD-UHFFFAOYSA-N 233.359 2.521 30 20 BFED C=CC[C@@H](C)NC(=O)NCC[C@@H](C)CC 660680047 AUSCKCGFYMKCIC-WDEREUQCSA-N 212.337 2.686 30 20 BFED C=C[C@H](C)NC(=O)NCc1cc(C)cc(C)c1 660880835 CWLKGUCVUXUEAG-LBPRGKRZSA-N 232.327 2.677 30 20 BFED C=CC[C@H]1CCCN(CC[C@@H]2CCCO2)C1 661383969 GIFVZCWRJAJRDM-KBPBESRZSA-N 223.360 2.844 30 20 BFED C=CCCCCNC(=O)N[C@@]12CCC[C@H]1C2 664698849 OVYJENVMTGNIRU-WCQYABFASA-N 222.332 2.585 30 20 BFED C=CCCN(C)C(=O)c1cccc2c1ccn2C 682428716 LLSJYIZVDSWYMP-UHFFFAOYSA-N 242.322 2.826 30 20 BFED C=CC[C@H](C)Nc1cc(C(F)F)ncn1 724621800 YDAHCDMQMOPNRB-ZETCQYMHSA-N 213.231 2.791 30 20 BFED C#CCCCOC(=O)c1cc2ccccc2[nH]1 727041377 IIFOWZFHHAXRHH-UHFFFAOYSA-N 227.263 2.738 30 20 BFED Cc1ccc(NN=Cc2ccc(C)s2)nn1 729936525 UIVHZCNTOOXJGC-UHFFFAOYSA-N 232.312 2.601 30 20 BFED Cc1cc([C@H](C#N)C(=O)[C@H](C)C(C)C)nc(C)n1 733678087 SVCYSGYNHNYYSR-PWSUYJOCSA-N 245.326 2.562 30 20 BFED C#CCN(CC)C(=O)N[C@H](C)CCC(C)(C)C 737061630 TYKZUGIWNKPOAR-GFCCVEGCSA-N 238.375 2.866 30 20 BFED C=CCCCOC(=O)C1CCSCC1 740960859 CCQFEJMGYAXSJA-UHFFFAOYSA-N 214.330 2.639 30 20 BFED C#CCN(CC#CC)CCSc1ccccc1 743854983 WFVFQNOIXKHFDN-UHFFFAOYSA-N 243.375 2.737 30 20 BFED CCCNN=C(C)c1ccc(N(C)CC)cc1 748075302 HKPZXCVHCPTEOB-UHFFFAOYSA-N 233.359 2.866 30 20 BFED CC(C[C@@H]1CCOC1)=NNc1ccc(C#N)cc1 751526862 OMXATUHOHACRRJ-ZDUSSCGKSA-N 243.310 2.773 30 20 BFED CCCON=C(C)c1sc(C)nc1C 754278506 UJCBVXPTPOHTBK-UHFFFAOYSA-N 212.318 2.911 30 20 BFED C#C[C@H](CC)NC(=O)[C@H](C)c1ccc(CC)cc1 754369192 ZLRFWYBIFWTPQH-IUODEOHRSA-N 243.350 2.881 30 20 BFED C#CCN(C(=O)NC[C@@H]1CCCC[C@H]1C)C1CC1 764692345 MMGGTWCABVKXQC-OLZOCXBDSA-N 248.370 2.620 30 20 BFED C#CCCCN(C)c1c(F)cccc1F 766912579 FWCKHEJGKWSNHD-UHFFFAOYSA-N 209.239 2.814 30 20 BFED Cc1cc(C)c(C=NN2CCCC2=O)cc1C 769589781 ULQHVILSPYPPQX-UHFFFAOYSA-N 230.311 2.568 30 20 BFED C#C[C@H](C)N(C)CCO[C@@H]1CCCC[C@H]1C 769962195 BZVOSWPACOIVMO-HZSPNIEDSA-N 223.360 2.535 30 20 BFED C#C[C@@H](C)N(C)CCOc1cc(C)cc(C)c1 769975705 IJOYCBHSWVBAJE-CQSZACIVSA-N 231.339 2.636 30 20 BFED C#C[C@@H](C)N(C)CCCCc1ccccc1 769977653 NRBJLAQPIFRBRJ-CQSZACIVSA-N 215.340 2.963 30 20 BFED C=C(Cl)CNC(=O)NC(C(C)C)C(C)C 770415353 ITKSBNIWGNVKAP-UHFFFAOYSA-N 232.755 2.719 30 20 BFED CCc1cnccc1C(C)=NNCC(C)C 771567783 TUDPQSDXFNIMQQ-UHFFFAOYSA-N 219.332 2.614 30 20 BFED C=C(CC)COC(=O)c1ccnc(SC)c1 773504302 HAGMHJRVRXGQMT-UHFFFAOYSA-N 237.324 2.927 30 20 BFED CCC(CC)CNN=C(COC)C(C)C 774474332 YRSJBDDOTRRFJR-UHFFFAOYSA-N 214.353 2.671 30 20 BFED Cc1cc(COC(=O)C(C)C)ccc1C#N 782009053 UHJXRRBFQVEQAF-UHFFFAOYSA-N 217.268 2.566 30 20 BFED CC#CCCOC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 782147026 LAJXVJKAYNCCMP-AVGNSLFASA-N 220.312 2.769 30 20 BFED CCCNN=C(CC)c1cccc(F)c1 783513989 KMOHSKCNNMCSHR-UHFFFAOYSA-N 208.280 2.939 30 20 BFED O=C(O)c1ccccc1NN=Cc1cccs1 793003309 SOMPGKNEEJQRDF-UHFFFAOYSA-N 246.291 2.892 30 20 BFED CC(=NNc1cncnc1)c1ccc(Cl)cc1 794976794 SCPNHAHMWBGRTK-UHFFFAOYSA-N 246.701 2.966 30 20 BFED C[C@H](C#N)OC(=O)[C@H](F)CC1CCCCC1 796208745 LUNRPXBQMKFKAC-MWLCHTKSSA-N 227.279 2.750 30 20 BFED C#CCCOC(=O)[C@H](OC(C)C)c1ccccc1 796408336 HAGJAOXELVFITE-CQSZACIVSA-N 246.306 2.719 30 20 BFED CC(=O)c1cccc(C(F)(F)F)c1OCC#N 798232806 JKAXMZMJNUFSJU-UHFFFAOYSA-N 243.184 2.810 30 20 BFED CCC(CC)NN=C1CCC[C@@H]1CCOC 799880158 FLOFKWAHHNCOPV-LLVKDONJSA-N 226.364 2.957 30 20 BFED CC#CC(=O)NCC[C@H](C)CC(C)(C)C 801221059 ZISHPBQHSVGRIG-NSHDSACASA-N 209.333 2.588 30 20 BFED N#CCCCCCC(=O)OCC[C@@H]1CCCO1 805696826 KSXJBEWQSRYZNK-LBPRGKRZSA-N 239.315 2.573 30 20 BFED C[C@@H]1CCC(=NN[C@H]2CCSC2)C[C@H]1C 808001455 CDVVLNUVUBZTNJ-FOGDFJRCSA-N 226.389 2.894 30 20 BFED CC[C@@](C)(C#N)C(=O)Oc1c(F)cccc1F 808009142 RHNOFTAJXOPHLV-LBPRGKRZSA-N 239.221 2.810 30 20 BFED C=C(C)COC(=O)c1cnc(C(C)(C)C)nc1 808559495 QXVOMBYGZBONGP-UHFFFAOYSA-N 234.299 2.507 30 20 BFED C[C@@H]1CCCC(=NNC[C@H]2CCSC2)C1 811662269 GSNSXURMUQFDQF-GHMZBOCLSA-N 226.389 2.895 30 20 BFED C#CCON=C[C@H](C)c1ccc(F)cc1 812234062 NXIJLLJGBQFZJZ-JTQLQIEISA-N 205.232 2.565 30 20 BFED C=CCCCCOC(=O)[C@@H](C)[C@@H](C)COC 813100582 HHRKVEPILNWPQD-RYUDHWBXSA-N 228.332 2.805 30 20 BFED CCc1cnc(C=NNCc2ccccc2)s1 814752011 XLVSNAYKXFGAHC-UHFFFAOYSA-N 245.351 2.829 30 20 BFED C[C@@H]1C(=NOCCC2CC2)CC[C@H]1CC(=O)O 814941053 AMGDIKUICVZPIM-ONGXEEELSA-N 239.315 2.680 30 20 BFED C=CCC(CC=C)C(=O)OCC[C@@H]1CCOC1 816442500 RZFGMPNNNBYSKJ-LBPRGKRZSA-N 238.327 2.725 30 20 BFED C=CCOC(=O)c1cc([N+](=O)[O-])c(C)cc1C 817240007 RNBADLNVNVEMKL-UHFFFAOYSA-N 235.239 2.554 30 20 BFED COc1cc(C(=O)/C=C/c2cccs2)on1 821021304 FCWMRAOIJFSNFH-SNAWJCMRSA-N 235.264 2.641 30 20 BFED C=C(C)C(C)(C)C(=O)OCc1ccc(CO)cc1 821448237 RVEOCTPHFURLSF-UHFFFAOYSA-N 248.322 2.824 30 20 BFED C=C[C@H](CC)CC(=O)NCCCc1ccco1 826536028 HANTYMLHLDEVNE-GFCCVEGCSA-N 235.327 2.931 30 20 BFED COc1cc(C#N)cc(OC(=O)OC2CCC2)c1 831258744 GLFMUAKLRZWZPT-UHFFFAOYSA-N 247.250 2.635 30 20 BFED CCn1cccc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 834967991 CBRVWDNHLVMERO-OBJOEFQTSA-N 231.343 2.620 30 20 BFED CC(C)ON=Cc1cnc([C@H]2CCCO2)s1 834999945 IPKXYKBICBOUHW-SNVBAGLBSA-N 240.328 2.754 30 20 BFED C[C@@H]1CC=C(C(=O)OCC2(CC#N)CC2)CC1 835188340 RVHMXPVSTRKWAL-LLVKDONJSA-N 233.311 2.970 30 20 BFED O=C(C#CC1CC1)NC1(c2ccccc2)CCC1 837331493 QPEJZXNLQVALEO-UHFFFAOYSA-N 239.318 2.595 30 20 BFED C=CCONC(=O)N1CCC[C@@H](CC(C)C)C1 838712488 SLDNEYXVBRDPTE-LBPRGKRZSA-N 240.347 2.572 30 20 BFED CCN(Cc1occc1C)C(=O)C#CC(C)(C)C 840535732 RSIPDBWXMMHEQH-UHFFFAOYSA-N 247.338 2.986 30 20 BFED C#CCCNC(=O)N[C@H]1CCC[C@H]1C(C)(C)C 841583249 CIIXIACXEHNGKG-NEPJUHHUSA-N 236.359 2.524 30 20 BFED CC(=NOC1CCC1)c1cccc2c1OCO2 841639295 PPIGYLNQSLIYML-UHFFFAOYSA-N 233.267 2.708 30 20 BFED C=C(C)[C@H](C)OC(=O)CCc1scnc1C 842334425 ULKGKNCLCHSYFB-JTQLQIEISA-N 239.340 2.892 30 20 BFED C#CC1CCN(Cc2csc(C)c2)CC1 843427060 SSBYYTRPABIPNA-UHFFFAOYSA-N 219.353 2.902 30 20 BFED C=C(C)CONC(=O)Nc1cccc(CC)c1 844485956 RYMNTWIRQDCVBY-UHFFFAOYSA-N 234.299 2.878 30 20 BFED C=C[C@H](C)ON=Cc1nc(CC)n2ccccc12 844621773 MPDBADPEYQIXQC-NSHDSACASA-N 243.310 2.822 30 20 BFED C=C(C)CONC(=O)N(C)Cc1cccc(C)c1 845595001 CPAYPBYJZHJMML-UHFFFAOYSA-N 248.326 2.644 30 20 BFED C=CCCO[C@H](C)C(=O)OCC1CC(C)C1 851461341 DXCQELKURLBKBH-MOENNCHZSA-N 226.316 2.557 30 20 BFED CCN(C/C(Cl)=C/Cl)[C@@H](C)C#N 852644785 VFUIGBCNZSUOPK-OJKBXMANSA-N 207.104 2.539 30 20 BFED C#CC1CCC(=NO[C@H]2CCCCO2)CC1 853326313 YJDDXCHTCPRLFZ-YUZLPWPTSA-N 221.300 2.709 30 20 BFED C=CCCCCC[C@@H](C)N[C@@H](C)CNC 854231064 DANSAOZRCOWNAA-OLZOCXBDSA-N 212.381 2.709 30 20 BFED C=CCCONC(=O)[C@@H]1CCCC[C@H]1CC 856034449 GZILXQFMQQRKMT-VXGBXAGGSA-N 225.332 2.827 30 20 BFED C#CCCCN[C@H]1CCCc2scnc21 858367339 LPNPMVXUPGFIFD-JTQLQIEISA-N 220.341 2.524 30 20 BFED C#CCCOC(=O)NC[C@@H]1CCC[C@H]1C1CC1 859190421 KEEMXHSWZYSAGR-STQMWFEESA-N 235.327 2.562 30 20 BFED C=C(C)CNC(=S)Nc1cc(O)ccc1C 863226724 PSDRMBFLWXFWDZ-UHFFFAOYSA-N 236.340 2.563 30 20 BFED C=CCCCNc1nc(C(C)(C)OC)ns1 865736483 LEIORNLQMCLHKF-UHFFFAOYSA-N 241.360 2.798 30 20 BFED Cc1nc(Cl)cc(NN=C2CCC[C@H]2F)n1 872354330 QUTBWFDSUZDGSW-SSDOTTSWSA-N 242.685 2.728 30 20 BFED Cc1ccccc1[C@H](O)CNC[C@H](C)CCC#N 877027860 RSAPNTJQOYLMOC-IUODEOHRSA-N 246.354 2.558 30 20 BFED C#CCN1CCC2(CC1)C(C)=Nc1ccccc12 878795637 NTTPBGBKHYHAJA-UHFFFAOYSA-N 238.334 2.759 30 20 BFED C=CC[C@@H](CC)NC(=O)c1ccn(CC(C)C)n1 890387322 KKBNLHQWQVTTRC-GFCCVEGCSA-N 249.358 2.624 30 20 BFED C=CC1(OC(=O)c2cnn3ccc(C)cc23)CC1 893358471 HTSNAAPYVROWOQ-UHFFFAOYSA-N 242.278 2.518 30 20 BFED CCC#CCOC(=O)Cc1cc(C)ccc1OC 893833207 MSIMBYNBZMJQOB-UHFFFAOYSA-N 246.306 2.503 30 20 BFED C=C/C=C\CCN[C@@H](C)CC1(C#N)CCOCC1 895541273 MXQJZLIRBFSWRL-WSNITJDQSA-N 248.370 2.807 30 20 BFED C=CC(C)(C)Cc1nc([C@H]2CCCO2)no1 896120481 ADSGTNUMDDVZQU-SECBINFHSA-N 222.288 2.676 30 20 BFED CCc1ccc(CN2CCC[C@H](C#N)C2)o1 896500924 CHOHHXIZCBFDGF-LLVKDONJSA-N 218.300 2.578 30 20 BFED CS[C@H]1CCCC(=NOC2CCOCC2)C1 901222660 OKGDRWCDTKRGQC-LBPRGKRZSA-N 243.372 2.844 30 20 BFED CC(=NNc1cc(F)ccc1F)[C@H]1CCOC1 901319658 CTOYTGXDTUCBIY-VIFPVBQESA-N 240.253 2.789 30 20 BFED C=CC[C@H]1CC[C@H](N[C@H]2CCC[C@H]2C(=O)O)C1 901485499 OBIXEZVJQPNJQG-RVMXOQNASA-N 237.343 2.574 30 20 BFED C=CCCC[C@@H](N)c1nc(-c2ccoc2C)no1 904722158 QHNPYYBHXWGYCT-LLVKDONJSA-N 247.298 2.994 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1C 905023168 JBBYTYDZTLOVCZ-JSGCOSHPSA-N 245.322 2.915 30 20 BFED CC(C)(C#N)C(=O)OCc1cccc(Cl)c1 915791119 MQEXOPJVOGOACI-UHFFFAOYSA-N 237.686 2.933 30 20 BFED CON=C(CC(F)(F)F)c1ccccc1 915958075 LDTMITSJRUGCTH-UHFFFAOYSA-N 217.190 2.990 30 20 BFED CCCC(C)=NNc1cc(C)nc(C)n1 915970541 FUBYWJBEQUHRBO-UHFFFAOYSA-N 206.293 2.681 30 20 BFED CCCNN=Cc1cc(Cl)ccc1OC 917548033 JGAHFQWGGJNIOG-UHFFFAOYSA-N 226.707 2.682 30 20 BFED C=CCN(C(=O)NC[C@@H]1CC=CCC1)C(C)C 921123350 TXRXMCBZSNBQJP-CYBMUJFWSA-N 236.359 2.949 30 20 BFED C#CCN(C(=O)N[C@H](C)CCCC=C)C(C)C 921816914 RGNDVOXAKMVIBF-CYBMUJFWSA-N 236.359 2.784 30 20 BFED C=CC[C@H](C)N[C@@H](C)c1cc(OC)ccn1 925432218 QRJATKBGOHWGNN-QWRGUYRKSA-N 220.316 2.705 30 20 BFED C#CCN(CC)CCCCC1(C#N)CCC1 929786648 HBRHGLMQYIXRSG-UHFFFAOYSA-N 218.344 2.806 30 20 BFED Cc1ccccc1[C@H](C)C(=O)NC1(C#N)CCC1 930793819 CGUBYLLQDQVFHC-LBPRGKRZSA-N 242.322 2.661 30 20 BFED CCOCCON=Cc1cccc2ccoc12 1117832028 ZOQAOVZOAVZJJT-UHFFFAOYSA-N 233.267 2.820 30 20 BFED C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NC(C)C 1134486100 OHGWLELBAHQZKX-CHWSQXEVSA-N 240.391 2.624 30 20 BFED CC(C)c1ocnc1CSCCC#N 1261363507 HBQFZCKNYSYAIM-UHFFFAOYSA-N 210.302 2.945 30 20 BFED C=C1CCN(c2ccncc2Cl)CC1 1262682595 CKETVZFZZZDOOU-UHFFFAOYSA-N 208.692 2.891 30 20 BFED C=CCC[C@@H]1CCCN1c1ncnn1CC1CC1 1262711602 BLWMLKGPSRALQK-CYBMUJFWSA-N 246.358 2.623 30 20 BFED C=CCN(CCc1ccco1)Cc1cc(C)[nH]n1 1320020365 JNDLMCODNNNJGJ-UHFFFAOYSA-N 245.326 2.542 30 20 BFED C=CCn1cnnc1S[C@@H](C)c1ccncc1 1322954276 OWMPCNWSVTVHNV-JTQLQIEISA-N 246.339 2.712 30 20 BFED C#CCCCNC(=O)/C(F)=C/C1CCCCC1 1324472170 VWKSALUCSGOCIC-QBFSEMIESA-N 237.318 2.950 30 20 BFED N#Cc1cc(NC(=O)CC2CC2)c(F)cc1F 1330559931 DPSGMCGRXSPPAB-UHFFFAOYSA-N 236.221 2.575 30 20 BFED C=C[C@H](COC)NCc1cccc2ncccc12 1330589885 WEWABUGYXAELQM-CYBMUJFWSA-N 242.322 2.525 30 20 BFED N#C[C@@H]1CC[C@@H](OC(=O)/C=C\c2ccsc2)C1 1342664781 SXYOFYIZRUTBSD-DNDCWNJCSA-N 247.319 2.997 30 20 BFED C=C(CC)C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12 1349329110 DGJAAUQYFJDBEE-RRFJBIMHSA-N 241.334 2.655 30 20 BFED C=CC[C@H](C)NC[C@@H](O)[C@@H](C)c1ccccc1 1353316113 MUOSZFRGWIMSSX-KCQAQPDRSA-N 233.355 2.705 30 20 BFED CC(C)c1ocnc1C(=O)O[C@H]1CC[C@@H](C#N)C1 1516749952 LTQZRBJQBLHPGR-ZJUUUORDSA-N 248.282 2.647 30 20 BFED C#CC(C)(C)N(C)Cc1ccc(C)c(C(=O)O)c1 1588367103 IUADHQXUQXUGHN-UHFFFAOYSA-N 245.322 2.537 30 20 BFED C=CCCC[C@H](/N=C\c1ccccc1O)C(=O)O 1588785640 JSWMQMTVPHXUIQ-GQVHDAKQSA-N 247.294 2.621 30 20 BFED Cc1ccc(F)cc1OCc1cc(C#N)ccn1 1652100070 OTGVBKCNPRMOMR-UHFFFAOYSA-N 242.253 2.980 30 20 BFED Cc1cc(C#N)cc(NCc2ccc(C)nn2)c1 1656435238 CMVJMTCDKOEDIJ-UHFFFAOYSA-N 238.294 2.577 30 20 BFED C=C(C)CCCN1CC[C@@H](C(=O)O)CC12CC2 1776138753 MORJBCZZYITZNL-GFCCVEGCSA-N 237.343 2.672 30 20 BFED C=CCC[C@@H](C)N1C[C@@H]2CCC[C@]2(C(=O)O)C1 1776166749 QYKNWPAZYWTPEP-DYEKYZERSA-N 237.343 2.528 30 20 BFED N#Cc1ccc(OC(=O)Cc2ccccc2)cc1 6211972 YHXBQMXUSPUGEM-UHFFFAOYSA-N 237.258 2.706 30 20 BFED Cc1ccc([N+](=O)[O-])c(OCCCC#N)c1 37979451 OLHMUFGUTHMBMM-UHFFFAOYSA-N 220.228 2.586 30 20 BFED CCC1CCC(N(C)C(=O)[C@H](C)C#N)CC1 44824761 KIYCSJPVIYTHAH-VOMCLLRMSA-N 222.332 2.573 30 20 BFED CCN(Cc1cccnc1Cl)C[C@@H](C)C#N 52709778 XNTXMBJEIQTJJN-JTQLQIEISA-N 237.734 2.717 30 20 BFED C=CCCC(=O)Nc1c(C)cccc1C(=O)O 54399519 SQXYSZNHSYXSAT-UHFFFAOYSA-N 233.267 2.598 30 20 BFED CCC(C)(C)C(=O)Nc1ccc(OCC#N)cc1 54403091 FGRVCTXWZGBRKO-UHFFFAOYSA-N 246.310 2.964 30 20 BFED C[C@H](NCc1cncs1)c1ccc(C#N)cc1 54770764 GESCWVRLGJUYMR-JTQLQIEISA-N 243.335 2.866 30 20 BFED CCc1ccc(C(=O)OCCCC#N)cc1 58817499 FYCUYROTQSHQBV-UHFFFAOYSA-N 217.268 2.710 30 20 BFED Cc1ccc(O)c(C#CC(F)(F)F)c1 59085757 XQRDFZWYHQKNNP-UHFFFAOYSA-N 200.159 2.614 30 20 BFED C=CCN(CCCc1ccccc1)CCOC 65958761 ZKCCIDVKFIDEMP-UHFFFAOYSA-N 233.355 2.754 30 20 BFED N#CCCN1CCC(OCc2ccccc2)CC1 73106423 LMMZUDIXNUYHCX-UHFFFAOYSA-N 244.338 2.581 30 20 BFED CC(C)[C@@H](C(=O)N[C@H](C)CC#N)c1ccccc1 79813182 FGXIBYVVYJYRCS-TZMCWYRMSA-N 244.338 2.845 30 20 BFED Cc1ccncc1NC(=O)c1cc(C#N)cs1 84108071 UWVQKBRWHBHCCB-UHFFFAOYSA-N 243.291 2.576 30 20 BFED CC1(C)CCC[C@H]1NCC1(CC#N)CC1 86874777 SFUJYCBFIWGIPE-LLVKDONJSA-N 206.333 2.849 30 20 BFED COc1ccc(CN2C[C@@H](C)[C@@H](C)C2)cc1C#N 92085415 LZMFIKBJGKYTPQ-TXEJJXNPSA-N 244.338 2.655 30 20 BFED C[C@@H]1CCC[C@H](CN(CCC#N)CCC#N)C1 92807875 HBHLSUKDAAPUFM-KGLIPLIRSA-N 233.359 2.942 30 20 BFED N#Cc1ccc(NCc2ccoc2)c(F)c1 96474314 GFMQOLCMJWHVCX-UHFFFAOYSA-N 216.215 2.902 30 20 BFED CC[C@@H](C#N)NC(=O)c1cc(C)n(C(C)C)c1C 102351448 MWROKKLUAQJPTF-LBPRGKRZSA-N 247.342 2.718 30 20 BFED Cc1ccc(C#N)cc1NC[C@@H]1CCCOC1 111320420 SRLFFTPTSDIWBY-ZDUSSCGKSA-N 230.311 2.705 30 20 BFED C=CCS[C@H](C)C(=O)NCCCCC 114757227 WOBRTLXYLZNNQH-SNVBAGLBSA-N 215.362 2.601 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccnc2ccccc12 116854478 YMLJGMBHCWISMQ-LLVKDONJSA-N 240.306 2.929 30 20 BFED C[C@H](CC#N)NCCCCC(F)(F)F 122789894 KABATKWASRCXID-MRVPVSSYSA-N 208.227 2.611 30 20 BFED CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(C#N)cc1 124562569 JIFTZBWSFLUFHC-SMDDNHRTSA-N 242.322 2.961 30 20 BFED C=CCC[C@@H](C)NCc1cccc2c1OCO2 130561862 JBXLHRHVNQDZJT-LLVKDONJSA-N 233.311 2.860 30 20 BFED CN(CC1CCC1)c1ccc([N+](=O)[O-])c(C#N)c1 131862551 ZIAMHRFBTAARNS-UHFFFAOYSA-N 245.282 2.703 30 20 BFED C=C[C@@](C)(CC)C(=O)NC(C1CC1)C1CC1 134894767 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CC(C)(C#N)CCOC(=O)c1cc(Cl)c[nH]1 776370318 XALXQMKPGAPGFN-UHFFFAOYSA-N 240.690 2.765 30 20 BFED Fc1ccc(C=NOCCC(F)(F)F)cn1 777455796 LNMIDSBPPUXQAQ-UHFFFAOYSA-N 236.168 2.524 30 20 BFED C#CCCCCCC(=O)N1CCc2ncccc21 779936267 DIIFKBNQPHYGDA-UHFFFAOYSA-N 242.322 2.554 30 20 BFED CC[C@H](C)NN=Cc1ccc2cnccc2c1 782285348 ODXSPILVRGKPPS-NSHDSACASA-N 227.311 2.957 30 20 BFED C#CCCCNCc1ccc(OCC)c(F)c1 785482402 GDNLZXODMCMCJS-UHFFFAOYSA-N 235.302 2.727 30 20 BFED N#C[C@]1(F)CCN(Cc2ccc(CF)cc2)C1 786437113 OVHHAXXRBCTWEW-CYBMUJFWSA-N 236.265 2.594 30 20 BFED C=CCCCOC(=O)Cc1ccc2c[nH]nc2c1 786565949 QWCOLHOFYFYYGM-UHFFFAOYSA-N 244.294 2.615 30 20 BFED CCCCCC(C)=NOC[C@@H]1CCOC1 788035286 ZEJSXCVORFFLCS-GFCCVEGCSA-N 213.321 2.996 30 20 BFED C=C(Cl)COC(=O)CC(C)(C)CC(C)=O 788154490 GPXSZDVFAJWWDO-UHFFFAOYSA-N 232.707 2.678 30 20 BFED C=CCCC(=NNc1nccn1C)C1CC1 790302304 OXZBZVYNEHJZKR-UHFFFAOYSA-N 218.304 2.564 30 20 BFED C#CCCCC(=O)Oc1cc(F)c(F)cc1C 791423244 SQUQRMDVZHZXIG-UHFFFAOYSA-N 238.233 2.982 30 20 BFED CC[C@@H](C)CON=Cc1cc(F)ncc1F 793163327 IXJZIZSMXUKUFX-MRVPVSSYSA-N 228.242 2.756 30 20 BFED COCCCON=C[C@@H]1C[C@@H]1c1ccccc1 795041686 GGMIHCHMOWNMQJ-UONOGXRCSA-N 233.311 2.829 30 20 BFED COc1ccccc1CON=Cc1cncs1 799117656 OKQHTTGLVDZARC-UHFFFAOYSA-N 248.307 2.702 30 20 BFED C=C(C)COC(=O)c1ccc(C)c(C#N)c1 799548299 NUSOKTZVWCTNCH-UHFFFAOYSA-N 215.252 2.600 30 20 BFED Cc1cc(C(=O)/C=C\c2cn(C)cn2)oc1C 800795597 PRVUUHHFJLELJM-PLNGDYQASA-N 230.267 2.526 30 20 BFED CC#CC(=O)N1CCc2ccccc2[C@H]1CC 801157448 YCOXZFVZYTVUTH-CQSZACIVSA-N 227.307 2.546 30 20 BFED C=CCN(C(=O)N[C@@H]1CCC1(C)C)C(C)C 807575150 LZTDPAYYBFZEJH-LLVKDONJSA-N 224.348 2.781 30 20 BFED CCO[C@H]1CC(=NNCC2CCCC2)C1(C)C 808008505 RQBZPCQCYARIJW-ZDUSSCGKSA-N 238.375 2.957 30 20 BFED C=CCN(C(=O)C1(F)CCCCC1)C1CC1 810871066 AHJNROPGSWKPNU-UHFFFAOYSA-N 225.307 2.836 30 20 BFED C#CCON=C(C)c1coc2ccccc12 812236765 XRECJGFRPSPVCI-UHFFFAOYSA-N 213.236 2.807 30 20 BFED C=CCOCCOC(=O)/C(C)=C/C(C)(C)C 813894594 PCGHCSDSENFSIA-ZHACJKMWSA-N 226.316 2.725 30 20 BFED C=CCCC[C@@H](C)NC(=S)NC1CCC1 814202173 FTERQOIZPVGXDJ-SNVBAGLBSA-N 226.389 2.748 30 20 BFED CO[C@@](C)(C=NN[C@@H](C)c1ccncc1)C1CC1 819819232 UVRSRAGXJVGIDM-FZMZJTMJSA-N 247.342 2.533 30 20 BFED CCN(C(=O)[C@@H](C)c1ccccc1C)[C@@H](C)C#N 825634925 JQBCKJUSBFOTTI-STQMWFEESA-N 244.338 2.859 30 20 BFED CC(C)C#CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 828013420 CTBUQHKAFBKJNJ-HZSPNIEDSA-N 233.355 2.825 30 20 BFED C=C(C)[C@@H](C)OC(=O)c1cnn2ccc(C)cc12 835298279 MBGNBTUXDNGORV-LLVKDONJSA-N 244.294 2.764 30 20 BFED CC(C)N(CC(F)F)C(=O)C#CC(C)(C)C 837479036 BZFNLVYMOUWRMN-UHFFFAOYSA-N 231.286 2.538 30 20 BFED C#CCC[C@@H](C)OC(=O)c1cccc(C#N)c1 839032627 RMCDXFYHRYAUDF-LLVKDONJSA-N 227.263 2.517 30 20 BFED COc1ccc(O)c(/C=N\CC(C)(C)CC#N)c1 840710621 KYHUZBNPUYCQRW-SXGWCWSVSA-N 246.310 2.760 30 20 BFED Fc1cccnc1NN=C1CCC[C@@H]2C[C@H]12 841635906 DUMBCZPDYZLLHS-BDAKNGLRSA-N 219.263 2.809 30 20 BFED CC(=NN(C)C[C@@H](C)O)C1CCC(F)(F)CC1 841649659 JKSNTENSCOSKLA-SECBINFHSA-N 248.317 2.500 30 20 BFED CCCON=Cc1c(C)nn(CCC)c1C 842555235 VLEGHEDWUUNSDK-UHFFFAOYSA-N 223.320 2.670 30 20 BFED C[C@H]1CCCCCC1=NOC[C@H]1CCOC1 844591326 HJVYFSHBOFKRSF-RYUDHWBXSA-N 225.332 2.996 30 20 BFED C#CCCCNC(=O)CCCc1ccc(F)cc1 846896988 OFPQZHLPVKINDM-UHFFFAOYSA-N 247.313 2.678 30 20 BFED CC[C@H](CC#N)OC(=O)/C=C(\C)c1ccco1 850979756 WBAHCWGDZNSBCO-PBQZMEPESA-N 233.267 2.918 30 20 BFED C=CC[C@@H]1CCCCC1=NN[C@@H](C)COC 853330302 XQXCNRMTPLCLPH-NWDGAFQWSA-N 224.348 2.733 30 20 BFED Cc1cccc(C=NN2CCCC[C@@H]2C)c1O 853381349 AXUATPMTTBMTII-LBPRGKRZSA-N 232.327 2.909 30 20 BFED C=CCCN[C@H](CC)C(=O)Nc1ccc(C)cc1 871889277 GZMSXAXQDBMADQ-CQSZACIVSA-N 246.354 2.878 30 20 BFED CNc1ccccc1C=NN1CCCC[C@@H]1C 872389123 ZHTXOLSVDIPMON-LBPRGKRZSA-N 231.343 2.937 30 20 BFED Cc1ccc(NC[C@H]2CCCS2)c(C#N)n1 882080521 PDDRLNVEKRJTLW-SNVBAGLBSA-N 233.340 2.569 30 20 BFED C#CCCCCC(=O)Nc1cc(C#N)ccc1F 891450746 JLVWTTKZCXTVKY-UHFFFAOYSA-N 244.269 2.829 30 20 BFED C=C1CC(c2noc([C@@H](OCC)C3CC3)n2)C1 896873829 GTRNAUGMUVNKRU-NSHDSACASA-N 234.299 2.991 30 20 BFED C=C1CCC(C(=O)N2CCC[C@H]3C[C@H]32)CC1 897730261 LQWLOHOUOLRNTA-QWHCGFSZSA-N 219.328 2.744 30 20 BFED C=C[C@@H]1OCCC[C@H]1NCc1ccccc1NC 902585690 USHISFFLRZBIQA-CABCVRRESA-N 246.354 2.552 30 20 BFED Cc1cccc([C@@H](O)CNCC(C)(C)CC#N)c1 905285780 VGCRBCCUKQHXGO-AWEZNQCLSA-N 246.354 2.558 30 20 BFED C=C1CN(C(=O)C/C=C/Cc2ccccc2)C1 912444774 AMXUPYISIBCGNU-AATRIKPKSA-N 227.307 2.574 30 20 BFED CCCCNN=C(C)c1cc(C)ccc1O 915966465 SRZAYGGTBUDSNL-UHFFFAOYSA-N 220.316 2.814 30 20 BFED C=C(C)COC(=O)c1ccc(O)c(Cl)c1 916591005 ORSKAVVILZFIJM-UHFFFAOYSA-N 226.659 2.779 30 20 BFED N#CCCCCOC(=O)c1scnc1Cl 919415003 PWOZBOXFVVPHFS-UHFFFAOYSA-N 244.703 2.647 30 20 BFED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C#N)C1 928215267 YCEYEGYYJZHDHY-FRRDWIJNSA-N 248.370 2.821 30 20 BFED CC1(C)CCC(C(=O)N2CCC[C@H](C#N)C2)CC1 928221157 LIUHDQCKLRADDD-GFCCVEGCSA-N 248.370 2.965 30 20 BFED COc1ccccc1[C@H](C)N(CCCC#N)OC 932540509 FEHPEZIMSWBLRD-LBPRGKRZSA-N 248.326 2.923 30 20 BFED CCc1ccc2c(c1)CCN2CCCC#N 934900378 JBMYCWMRWREHJN-UHFFFAOYSA-N 214.312 2.915 30 20 BFED C#Cc1ccc(NC(=O)NCC2CCC2)cc1 934936342 SRUMETJJZIDMTP-UHFFFAOYSA-N 228.295 2.590 30 20 BFED CC#CCN(CC)Cc1ccccc1F 1116120866 FUOYBEWWAYALGQ-UHFFFAOYSA-N 205.276 2.671 30 20 BFED C=CC[C@@H](N[C@H]1CCC(C)(C)C1)C(=O)OCC 1116775438 NNZJXVPUAXGEJZ-NWDGAFQWSA-N 239.359 2.663 30 20 BFED C=C1CCC(C(=O)NC[C@@](C)(CC)OC)CC1 1119504545 HQGIZDHACBXZLE-CQSZACIVSA-N 239.359 2.664 30 20 BFED C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1OCC 1121188448 VLTUXEXNCLZOLW-CHWSQXEVSA-N 239.359 2.807 30 20 BFED C=C(C)CCC(=O)O[C@@H](C)C(F)(F)F 1122662852 QCARWYXIMUTODK-ZETCQYMHSA-N 210.195 2.837 30 20 BFED C=C(C)CCC(=O)OCCC(C)(C)OC 1122994052 WEEWRXJZZIANMY-UHFFFAOYSA-N 214.305 2.701 30 20 BFED CC/C=C\COC(=O)c1ccc(C#N)cc1OC 1123025811 USCBMXKNNGOOIS-PLNGDYQASA-N 245.278 2.690 30 20 BFED C=C(CC)C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 1123678938 VZJFBPZLHBZOSK-RYUDHWBXSA-N 239.359 2.663 30 20 BFED C#Cc1ccc(CN[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)cc1 1203728086 XNHRVNYKLAFMSE-BQDHKBFISA-N 225.335 2.802 30 20 BFED COc1ccc(NC(=O)CC2(C)CC2)cc1C#N 1261912838 BQIIANVAEZYMPY-UHFFFAOYSA-N 244.294 2.696 30 20 BFED C=C[C@H](C)OC(=O)c1ccnn1[C@H](C)CC 1263470525 FURVNPPAMQNNCY-ZJUUUORDSA-N 222.288 2.585 30 20 BFED CC#CCN(CCc1ccccc1)C(C)C 1318813523 BQUGPWOGHPKNKB-UHFFFAOYSA-N 215.340 2.963 30 20 BFED C#CCCCCCC(=O)NC[C@](C)(CC)OC 1325397005 MYHBDLHNNDFCFZ-AWEZNQCLSA-N 239.359 2.501 30 20 BFED C=C(C)CCC(=O)NC1(C(F)(F)F)CCC1 1337167167 ZMYABBOWLMRSBI-UHFFFAOYSA-N 235.249 2.944 30 20 BFED CC[C@@H](F)C(=O)Nc1scc(C)c1C#N 1337582087 HZZDTHPTGCFDIT-MRVPVSSYSA-N 226.276 2.615 30 20 BFED CC(C)CCCCC(=O)[C@H](C#N)c1nccn1C 1515836748 MBPHVCWIZHSDIF-LBPRGKRZSA-N 247.342 2.813 30 20 BFED C=CCOc1ccc(OC(=O)[C@H]2C[C@H]2F)cc1 1516929399 VFSLCXDHUASMGV-NWDGAFQWSA-N 236.242 2.515 30 20 BFED C=C(C)C[C@H](N[C@@H]1CC[C@@H]2CCC[C@@H]21)C(=O)O 1573323553 COKZRCPEBZHDSU-RVMXOQNASA-N 237.343 2.574 30 20 BFED CCOc1nc(C)c(-c2ccncc2)cc1C#N 1690154867 LTRWHTALMSUCNY-UHFFFAOYSA-N 239.278 2.722 30 20 BFED C=CCCCCN1CC[C@@]2(C(=O)O)CCC[C@H]12 1776174875 VVISYWAXGVUHMQ-JSGCOSHPSA-N 237.343 2.672 30 20 BFED CCCCCCCCCN1C(=O)CCC1=O 3637708 AEPFFOFHAZSXPF-UHFFFAOYSA-N 225.332 2.886 30 20 BFED C=CCSCC(=O)Nc1ccccc1C 6451653 SPEGUZLPNUGEIR-UHFFFAOYSA-N 221.325 2.853 30 20 BFED C=CCN(CC=C)Cc1ccc(C(=O)O)cc1 11799963 NDMJXJMAFZDRPT-UHFFFAOYSA-N 231.295 2.559 30 20 BFED C=C(Cl)CNCc1ccc(OC)cc1 37488728 WEMNWDUJELNXIN-UHFFFAOYSA-N 211.692 2.537 30 20 BFED CCC[C@@H](C)C(=O)N(C)Cc1cccc(C#N)c1 45435570 HAHHCWMYZREKRD-GFCCVEGCSA-N 244.338 2.953 30 20 BFED N#CCCNC(=O)c1ccc(Cl)cc1Cl 48151877 XBYUKXGUYXCRII-UHFFFAOYSA-N 243.093 2.637 30 20 BFED C[C@H]1C[C@H](C)CCN1C(=O)c1cccc(C#N)c1 51733721 ZQTLHLDNJUDIBV-NEPJUHHUSA-N 242.322 2.819 30 20 BFED C[C@@H]1C[C@H](Nc2ccc(C#N)cc2)CCO1 69858269 WFZAQPNFILAAIZ-ZWNOBZJWSA-N 216.284 2.538 30 20 BFED CC[C@@]1(C)CCCN(C[C@H](C#N)CCC#N)C1 75998625 HAFWQJSKGBQQFH-KBPBESRZSA-N 233.359 2.942 30 20 BFED CC[C@@H](C#N)OC(=O)[C@@H](C)c1cccc(F)c1 84708954 VCPFTABOLNRFIB-CABZTGNLSA-N 235.258 2.775 30 20 BFED CSc1ccccc1NC(=O)NC[C@H](C)C#N 84907597 BSJXQHODBRXZQR-SECBINFHSA-N 249.339 2.690 30 20 BFED N#CC[C@@H](O)c1ccc(C(F)(F)F)cc1 85878365 LKWYNPODNUMOKI-SECBINFHSA-N 215.174 2.652 30 20 BFED Cc1csc(=O)n1CCCC(C)(C)C#N 87608841 MAIIAZXUFGFMAY-UHFFFAOYSA-N 224.329 2.548 30 20 BFED C=C[C@H](N)c1cc(F)ccc1Br 95643682 DTPFZNXMTXNKDN-VIFPVBQESA-N 230.080 2.774 30 20 BFED CN1/C(=C/C(=O)CC#N)C(C)(C)c2ccccc21 100267970 FFYNSCICOOBTIU-GXDHUFHOSA-N 240.306 2.781 30 20 BFED C=CCCC(=O)Nc1cnn(C(C)(C)C)c1 102341886 BEZBFKBSHQYHAR-UHFFFAOYSA-N 221.304 2.543 30 20 BFED CCCCCCCCC(=O)N1CC[C@H](CO)C1 106956796 ZBWDAUPPKIWZJR-ZDUSSCGKSA-N 241.375 2.578 30 20 BFED C=CCNC(=O)c1cc2c(C)c(C)ccc2[nH]1 116714212 VHIUCTUOGFFZQH-UHFFFAOYSA-N 228.295 2.701 30 20 BFED C=CC1CCN(CCC(C)(C)C#N)CC1 119647605 GWFHWSIFRRKMCL-UHFFFAOYSA-N 206.333 2.824 30 20 BFED CC#CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 121109925 LTTCVOQCBXYILC-BFHYXJOUSA-N 233.355 2.732 30 20 BFED C[C@@H]1CC[C@@H](CC(=O)N(C)C2(C#N)CCC2)C1 124041190 LLDCFNQWKASVRN-VXGBXAGGSA-N 234.343 2.717 30 20 BFED C=CCC[C@H](NCC(C)(C)CCO)C1CC1 125373183 GORMTSJSIDDERI-ZDUSSCGKSA-N 225.376 2.729 30 20 BFED CC[C@@](C)(C#N)NC(=O)c1cc(C)sc1C 127456531 HSSIDLSQXMPGTK-LBPRGKRZSA-N 236.340 2.787 30 20 BFED N#Cc1ncccc1NC[C@@H]1CCCCS1 130081359 CAIOXPGGPSZYRH-JTQLQIEISA-N 233.340 2.651 30 20 BFED C=CCCC[C@@H](C)NCC1=CCCOC1 133594409 VNHYPVXXABKOFB-GFCCVEGCSA-N 209.333 2.668 30 20 BFED CC[C@@](C)(C#N)NC(=O)c1cccc(C)c1F 151799519 YCRIYAFSLYJSCM-ZDUSSCGKSA-N 234.274 2.556 30 20 BFED C=CCN(C)C(=O)c1cnn(C2CCCC2)c1C 152887335 PXKQLLTXVASKLX-UHFFFAOYSA-N 247.342 2.565 30 20 BFED C=C(C)CNC(=O)c1cnn(C2CCCC2)c1C 152988093 NJNLIHWWYJQGKD-UHFFFAOYSA-N 247.342 2.613 30 20 BFED CC[C@H](CC(=O)NCC#N)c1ccc(C)cc1 157912993 JQOSCXKQYMYNMF-GFCCVEGCSA-N 230.311 2.519 30 20 BFED CC(C)N(C)C(=O)CSc1cccc(C#N)c1 158789262 OKYBVCYLJHJABV-UHFFFAOYSA-N 248.351 2.517 30 20 BFED C=CCN(C)C(=O)c1cc(C)n(C(CC)CC)n1 161411448 INXWTJBHUKNTGW-UHFFFAOYSA-N 249.358 2.811 30 20 BFED C=CCN1CCC(N[C@@H](C)C(C)(C)C)CC1 167403387 JPGJXEZEDJCXKP-LBPRGKRZSA-N 224.392 2.661 30 20 BFED CCCCCCCC(=O)N1CCCO[C@@H](C)C1 171263252 QDBDINXIFVQDAN-ZDUSSCGKSA-N 241.375 2.984 30 20 BFED N#Cc1cnc(NCc2ccoc2)c(Cl)c1 171863568 JNZJWOMUMLJBMN-UHFFFAOYSA-N 233.658 2.812 30 20 BFED C=CCOCCCC(=O)N(CC)C1CCCC1 173553593 FIXFAGSGCYEVMU-UHFFFAOYSA-N 239.359 2.760 30 20 BFED C=CCCCC(=O)OCCCc1ccncc1 175595846 MIYLUHIUAHQEKH-UHFFFAOYSA-N 233.311 2.914 30 20 BFED CC[C@@H](C#N)OC(=O)[C@@H](C)c1cccs1 175989516 FHISLFJLRRCEOJ-IUCAKERBSA-N 223.297 2.697 30 20 BFED Cc1[nH]ccc1C(=O)N[C@@H](C#N)C1CCCCC1 177716664 QGWURYKNCDQLIV-ZDUSSCGKSA-N 245.326 2.525 30 20 BFED C[C@H](NCCCCC#N)c1cccc(O)c1 181542978 FHIYXVZXLPPXTJ-NSHDSACASA-N 218.300 2.737 30 20 BFED C=CCC[C@H](O)CN1CCc2c(F)cccc21 184043628 SUZJYIDVYMFOBH-NSHDSACASA-N 235.302 2.515 30 20 BFED C#CCC(C)(C)C(=O)N[C@H](C)CC(C)C 185924724 TTWIWIJILMYKMU-LLVKDONJSA-N 209.333 2.587 30 20 BFED CC#CCNC(=O)Nc1ccccc1CCC 186544122 OYZPJWIQJPFINK-UHFFFAOYSA-N 230.311 2.784 30 20 BFED C=C[C@](C)(CCOC)C(=O)OC1CCCC1 187749395 OPFSHNNIAQVSJC-CYBMUJFWSA-N 226.316 2.701 30 20 BFED C=CC[C@@H](C(=O)Nc1cn[nH]c1)c1ccccc1 188226422 MXIAPNAESHYWSC-CYBMUJFWSA-N 241.294 2.708 30 20 BFED CCCCCCCNCC[C@H]1CCOC1 220535683 GOFFJBJGAWOLSE-ZDUSSCGKSA-N 213.365 2.973 30 20 BFED C#CCCCNC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 246548087 MIRNPRMVLSCKIK-HZSPNIEDSA-N 248.370 2.762 30 20 BFED CC[C@@H](C#N)NC(=O)c1cc2cccc(C)c2o1 263804213 LROSWOOJFICALW-NSHDSACASA-N 242.278 2.773 30 20 BFED Cc1ccc(/C=C/C(=O)N(C)[C@@H](C)CC#N)cc1 264085321 RAJKYLVKSSGOEF-XEHSLEBBSA-N 242.322 2.769 30 20 BFED CC1(C)[C@@H]2CN(c3ncc(C#N)cc3Cl)C[C@H]21 266285350 VHQMVMRRJFWJMQ-NXEZZACHSA-N 247.729 2.699 30 20 BFED C[C@H]1[C@H](Cc2ccccc2)CCN1CCC#N 266920277 IFHJEPZZSVJLQX-ZFWWWQNUSA-N 228.339 2.853 30 20 BFED CN(C[C@H]1CCCC[C@H]1O)c1ccc(C#N)cc1 272153394 CXIKVGNQRWFJJD-UKRRQHHQSA-N 244.338 2.546 30 20 BFED Cc1ccc(C[C@H](C)C(=O)NCCCC#N)cc1 273078592 XBQBVDNVQZSNLK-ZDUSSCGKSA-N 244.338 2.594 30 20 BFED CCN(C(=O)CC#N)[C@H](C)c1cccc(OC)c1 274146599 FHCIWPSKUWKXCP-LLVKDONJSA-N 246.310 2.518 30 20 BFED C#CCCCNc1cc2c(cc1F)NC(=O)CC2 274961736 AVLIPTAVPIGOTA-UHFFFAOYSA-N 246.285 2.536 30 20 BFED CC1(C)CCCN(C(=O)C[C@H]2C=CCC2)[C@H]1C#N 278028680 UGQKYXWOHXEXFP-STQMWFEESA-N 246.354 2.883 30 20 BFED C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(F)c1 280606113 JSHOVGVMNUDBFB-UKRRQHHQSA-N 249.329 2.897 30 20 BFED C=C[C@@](C)(CC)C(=O)OCc1cccnc1OC 283949171 ZKLGSHSDBFJAMT-AWEZNQCLSA-N 249.310 2.736 30 20 BFED N#C[C@@H]1CC[C@@H](N2CCc3cc(F)ccc3C2)C1 284136888 VCSIWABYLUCHRM-IAQYHMDHSA-N 244.313 2.876 30 20 BFED CC#CC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 286409944 QDVKALVQFARSIJ-GXTWGEPZSA-N 227.307 2.619 30 20 BFED C=C[C@@H](CO)N[C@@H](C)c1cccc(C)c1C 289758831 LMJRIKRAUJCVDE-STQMWFEESA-N 219.328 2.501 30 20 BFED C=C(C)Cn1c([C@@H](C)CC)nnc1N(C)C1CC1 293185079 YDQYRFWPLXDUHR-NSHDSACASA-N 248.374 2.966 30 20 BFED Cn1cc(CN2CC3(CCCCC3)C2)cc1C#N 297359717 GPBNGBZHLZLDLS-UHFFFAOYSA-N 243.354 2.663 30 20 BFED C=C(Br)CN1[C@H]2CCC[C@H]1CC2 306339767 ZOWXABGUEKNFLT-UWVGGRQHSA-N 230.149 2.912 30 20 BFED CCN(CC(C)(C)C)c1cc(C#N)nc(C)n1 308160041 DHZBNIUKEJYWAS-UHFFFAOYSA-N 232.331 2.529 30 20 BFED Cc1cc(NCC(C)(C)CCC#N)ncn1 309720155 VTKWEWONEUDYOO-UHFFFAOYSA-N 218.304 2.527 30 20 BFED Cc1nc(N(C)CCC(F)(F)F)ccc1C#N 310103370 YWJKWEBEQBWBEQ-UHFFFAOYSA-N 243.232 2.650 30 20 BFED N#CCc1cccc(NC[C@@H]2CCCOC2)c1 313406144 CYUWHIJUPUGDBV-ZDUSSCGKSA-N 230.311 2.591 30 20 BFED C=CCC[C@@H](CO)N[C@@H]1CCCc2ccccc21 320686852 DCFSIIAFDYVXRD-GOEBONIOSA-N 245.366 2.981 30 20 BFED Cc1n[nH]c(C)c1N=C(O)[C@H]1CCC(=O)[C@@H](C)C1 328894090 AOPSUZQPJLMBDC-XVKPBYJWSA-N 249.314 2.620 30 20 BFED CCN(C(O)=Nc1ccnnc1C)C1CCCC1 329068231 XKXWLWIPQIZDCJ-UHFFFAOYSA-N 248.330 2.595 30 20 BFED CC1=C(C(O)=Nc2ccnnc2C)CCC1 329420778 HKBUXUKGMOCGRO-UHFFFAOYSA-N 217.272 2.873 30 20 BFED C[C@H]1CN(CC2(C#N)CCC2)C(C)(C)C1 334585978 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2.665 30 20 BFED C=CC[C@H]1CCCN(CCc2cncs2)C1 661384139 HBKXSWMMKMEOES-LBPRGKRZSA-N 236.384 2.974 30 20 BFED C=CCN[C@H](CO)c1cccc(Cl)c1Cl 662053801 BEUWBWHWCJFTLX-SNVBAGLBSA-N 246.137 2.802 30 20 BFED C=CCCCCNc1cc(CO)cc(C)n1 663810420 MSGPXIYCFAEYAJ-UHFFFAOYSA-N 220.316 2.651 30 20 BFED C=CCC1(NC(=O)N[C@@H]2C[C@H]2CC)CCCC1 664809175 HGVTTXARNOQZCV-VXGBXAGGSA-N 236.359 2.973 30 20 BFED C=CCCNC(=O)Nc1c(C)cc(C)nc1C 667119615 XUSOYWCFTJRVNH-UHFFFAOYSA-N 233.315 2.704 30 20 BFED C=CCC1(NCCC(C)(C)C(=O)O)CCCC1 690758432 GBFLEAVJDGSLPY-UHFFFAOYSA-N 239.359 2.966 30 20 BFED C#C[C@@H](NC(=O)[C@H]1CC2CCC1CC2)C(C)(C)C 702237305 YYLPPAGETBXHQB-CLRIEMFWSA-N 247.382 2.977 30 20 BFED C#C[C@H](NCc1n[nH]c2ccccc12)C(C)(C)C 702244927 JBWHOQTWOORWBH-AWEZNQCLSA-N 241.338 2.700 30 20 BFED CCCCCCCN[C@H](C)C[C@@H]1CCC(=O)N1 703745541 ZRKCMQSFXKJRKF-OLZOCXBDSA-N 240.391 2.604 30 20 BFED C=C(CC)CNCc1cc(F)cc(F)c1O 708442571 NDWDOGAAVSMGAA-UHFFFAOYSA-N 227.254 2.726 30 20 BFED CNC(=S)NN=C1CCC[C@@H]1CCC(C)C 727250852 YRTBFOPBNJQHKG-SNVBAGLBSA-N 241.404 2.673 30 20 BFED Oc1ccc2c(c1)CCCC2=NNC1CCCC1 727652199 WHFUWOOHCNZUJB-UHFFFAOYSA-N 244.338 2.965 30 20 BFED C#Cc1ccc(C(=O)N(CC(C)C)C(C)C)cn1 728810940 YAFBNWDLDAMQRA-UHFFFAOYSA-N 244.338 2.570 30 20 BFED C=CC[C@@H](NC(=O)C=C(C)C)c1ccncc1 734238060 ZSVCLGGGNZZIQF-CYBMUJFWSA-N 230.311 2.781 30 20 BFED COc1cccc(NN=Cc2scnc2C)c1 743432992 XPERTURRANFQRA-UHFFFAOYSA-N 247.323 2.906 30 20 BFED C=C(C)COc1cc(C=NOC)ccc1OC 747046696 GKXGMGZVSRQKMW-UHFFFAOYSA-N 235.283 2.630 30 20 BFED C[C@H]1OCCC1=NNc1nccc2sccc12 747752862 FXDDWXOVESLCIX-MRVPVSSYSA-N 247.323 2.873 30 20 BFED CCCNN=Cc1c[nH]nc1-c1cccc(C)c1 755651080 FYHXZJAQYOOHPQ-UHFFFAOYSA-N 242.326 2.719 30 20 BFED Cc1c(NN=CC(C)C)cccc1[N+](=O)[O-] 755697017 DAUNQPWSQBALRY-UHFFFAOYSA-N 221.260 2.957 30 20 BFED C[C@@H]1C[C@@H]1C=NNc1nc(-c2ccccc2)no1 758375267 OUIMNTLLTTYJMJ-MWLCHTKSSA-N 242.282 2.790 30 20 BFED CC(=NOCC(F)F)c1ccc([N+](=O)[O-])cc1 758906307 DWOMSUIJMXSUQX-UHFFFAOYSA-N 244.197 2.601 30 20 BFED CCN(CCC#N)C(=O)c1cc(Cl)cs1 760145189 PTJHWCFGWNVZMZ-UHFFFAOYSA-N 242.731 2.777 30 20 BFED CC#CCCOC(=O)CC1=CCCCC1 760275009 WYRPXFSGLPLBAT-UHFFFAOYSA-N 206.285 2.834 30 20 BFED C=CC[C@H]1N(C(=O)OC)CCCC1(C)C 769645384 UDQLOQGCAAFAAC-SNVBAGLBSA-N 211.305 2.820 30 20 BFED Oc1ccc(C=NOC2CCCC2)cc1F 774602254 GUWOEQRBYHCNTM-UHFFFAOYSA-N 223.247 2.824 30 20 BFED COC[C@@H](C)NN=Cc1ccc2ccccc2c1 777901451 LOJKJVMMJIYXCC-GFCCVEGCSA-N 242.322 2.798 30 20 BFED C=CC[C@@H](C(=O)OCC(=O)CC)c1ccccc1 778426739 AUOQQUDONQDZRJ-CQSZACIVSA-N 246.306 2.869 30 20 BFED CC(C)CON=C1CCc2cc(O)ccc21 780235280 GSBXCBWZUOWITL-UHFFFAOYSA-N 219.284 2.715 30 20 BFED CCCCCCNC(=O)CC(C)(C)C#N 780375681 YKNXYBOWVKUZHO-UHFFFAOYSA-N 210.321 2.623 30 20 BFED Cc1cc(C=NNc2ccccc2)sn1 785451110 NDTCIBRPBDKRQO-UHFFFAOYSA-N 217.297 2.898 30 20 BFED C#CCCc1noc(-c2cccc(C(C)=O)c2)n1 788491336 ILPMWRICDGUJIK-UHFFFAOYSA-N 240.262 2.505 30 20 BFED CC#CCOC(=O)c1ccc(C)c(Cl)c1F 789066499 PBSUQLFBWIQACD-UHFFFAOYSA-N 240.661 2.968 30 20 BFED CC[C@H](C)NN=C(C)c1ccc2c(c1)CCO2 790184668 ZKSJGRYRZNTJOV-JTQLQIEISA-N 232.327 2.734 30 20 BFED C[C@@H]1CC(=NN[C@H](C)C(C)(C)C)CN1C1CC1 793114361 GHNDLUCDFYISAB-GHMZBOCLSA-N 237.391 2.623 30 20 BFED Cc1cnn(C)c1C=NN[C@@H]1CCCCC1(C)C 794937612 YVGUAXJMTGYXJM-CYBMUJFWSA-N 248.374 2.621 30 20 BFED CC[C@H](C#N)OC(=O)c1cccc2oc(C)nc12 795700719 XVQYZKBDWISXJC-SECBINFHSA-N 244.250 2.595 30 20 BFED C#CCOC(=O)c1coc2ccc(CC)cc12 796816918 GZVTVJOKQOZVKS-UHFFFAOYSA-N 228.247 2.785 30 20 BFED CC(C)[C@H](C(=O)OCCCC#N)c1cccnc1 797903085 NMMBLSFIQXGOOC-ZDUSSCGKSA-N 246.310 2.668 30 20 BFED CC[C@H](C#N)OC(=O)c1ccccc1OC1CC1 805723570 YKECFEJQGZMMGI-SNVBAGLBSA-N 245.278 2.687 30 20 BFED C=CCCCCOC(=O)C(C)(C)CCOC 811013033 HMBIPRWYNASDGX-UHFFFAOYSA-N 228.332 2.949 30 20 BFED N#CCCCC(=O)OCc1ccc(F)c(F)c1 812618153 GLZNJVOLFFLFOF-UHFFFAOYSA-N 239.221 2.702 30 20 BFED Cc1cc(O)c(C=NOCC2CC2)cc1C 814241284 IOTRIPHCGMOUOM-UHFFFAOYSA-N 219.284 2.770 30 20 BFED Cc1sccc1C=NNC[C@@H]1CCSC1 814935539 NQQDOYZXNVSXHA-JTQLQIEISA-N 240.397 2.733 30 20 BFED Fc1cncnc1NN=C1CC[C@@H]1C1CCC1 814940004 LYWUMPMLAXKAFV-SECBINFHSA-N 234.278 2.594 30 20 BFED C=CCCCOC(=O)c1nn(C)c(C)c1Cl 817260568 ZXCWRSFZYUCHOF-UHFFFAOYSA-N 242.706 2.505 30 20 BFED C#CCCN(CC)CCOc1ccccc1C 817284439 UNEKDRDFMDPVTK-UHFFFAOYSA-N 231.339 2.719 30 20 BFED C=CCCCNC[C@H](O)c1cccc(Cl)c1 819272822 IIZSBIMFBZTNOR-ZDUSSCGKSA-N 239.746 2.929 30 20 BFED C#C[C@H](C)NC(=O)N(C1CCCCC1)C1CC1 820422239 FFGFYUSUOHCQEG-NSHDSACASA-N 234.343 2.515 30 20 BFED CCC(CC)NN=Cc1ncc(C)s1 834958967 BXIPNDKRPQXRPN-UHFFFAOYSA-N 211.334 2.564 30 20 BFED C=CCON=CCCc1ccc2c(c1)OCCO2 835013225 MKUVZQCNBPBTOB-UHFFFAOYSA-N 247.294 2.579 30 20 BFED C=C(C)COC(=O)c1cc(C)n(C(C)C)n1 835079014 VJWAQCDFUIDFEU-UHFFFAOYSA-N 222.288 2.505 30 20 BFED C#CCC(C)(C)COC(=O)/C=C(/C)CC 835279421 KFLLUDJSXNZKMA-LUAWRHEFSA-N 208.301 2.935 30 20 BFED C#CCCCCNC(=O)C1=CC[C@H](C)CC1 836758769 AHKNWHRHZOEWBC-LBPRGKRZSA-N 219.328 2.653 30 20 BFED CCC[C@@H](C)N(C)C(=O)C#CC(C)(C)C 837341550 KMGFUBQETZKSBH-LLVKDONJSA-N 209.333 2.683 30 20 BFED C=CCCCOC(=O)COC(C)(C)CC 838407751 HBJMNBMMERBARP-UHFFFAOYSA-N 214.305 2.701 30 20 BFED C=C(Cl)CNC(=O)N1CC[C@H](C2CCC2)C1 841582441 SRDGAKGFGFLFKN-NSHDSACASA-N 242.750 2.571 30 20 BFED CCCC(=NN[C@H]1CCCOC1)[C@@H]1CC1(C)C 841636988 DHINQRJAXYAORV-RYUDHWBXSA-N 238.375 2.957 30 20 BFED CCCC(=NN(C)C[C@H](C)O)C1CCCC1 841650921 OBPIMHRSGWZJER-NSHDSACASA-N 226.364 2.645 30 20 BFED C#C[C@H](NC(=O)CC1CCC1)c1ccccc1 843639311 QLXNUEUBFONNKW-AWEZNQCLSA-N 227.307 2.667 30 20 BFED C=C[C@H](C)ONC(=O)NCc1ccccc1CC 845630802 MOMFEITYEQEWRC-NSHDSACASA-N 248.326 2.554 30 20 BFED Cc1nocc1COC(=O)C1(C#N)CCCCC1 849713475 SCWPPWGEXNXGHD-UHFFFAOYSA-N 248.282 2.500 30 20 BFED C#CCOCCN1CCCCC[C@H]1c1ccco1 851780765 VSBVNMVLJLBBFM-AWEZNQCLSA-N 247.338 2.847 30 20 BFED C[C@H]1CCCCN1N=Cc1cccs1 853379249 MKVIDBPEWHFTRC-JTQLQIEISA-N 208.330 2.956 30 20 BFED C#Cc1cccnc1NCCC1CCC1 853438516 FNBYTODGFXHVTQ-UHFFFAOYSA-N 200.285 2.665 30 20 BFED O=C(O)c1csc(C=NOCC2CCC2)c1 853439737 PPWJXHZKTLKKGH-UHFFFAOYSA-N 239.296 2.597 30 20 BFED C(=NOCC1CCC1)c1cnc2ccccc2n1 853439880 NUFQVLVBRPWQOZ-UHFFFAOYSA-N 241.294 2.780 30 20 BFED C#C[C@](C)(CC)NC(=O)Cc1ccc(CC)cc1 854698217 UUZQGEGMQCLKAI-MRXNPFEDSA-N 243.350 2.710 30 20 BFED CC(C)C#CC(=O)NCC1CCCCCC1 854818161 DTTODMAGBQIRAH-UHFFFAOYSA-N 221.344 2.732 30 20 BFED CC1(NC(=O)c2cc(C#N)ccc2F)CC=CC1 855046947 SZFUSQMZXOBVBH-UHFFFAOYSA-N 244.269 2.536 30 20 BFED C=CCN(C(=O)[C@@H](F)C(C)C)C(C)(C)C 857650637 ADFCPNSILQPDJY-JTQLQIEISA-N 215.312 2.794 30 20 BFED C=C(Cl)CSCC(=O)OCCCC 865376650 XKZOAMZKPIDNPB-UHFFFAOYSA-N 222.737 2.815 30 20 BFED C#C[C@H](C)NC(=O)CC(C)(C)c1ccc(F)cc1 867502366 VQUUDWCXFWMOFX-NSHDSACASA-N 247.313 2.631 30 20 BFED C=CCCC[C@@H](C)NCc1ccc(Cl)nn1 877137525 WXVITKCIZXBFPR-SNVBAGLBSA-N 239.750 2.964 30 20 BFED N#CCCN(CCCC1CC1)Cc1ccccn1 878169273 LASNBMOBOVRRBV-UHFFFAOYSA-N 243.354 2.987 30 20 BFED C=CC(C)(C)CC(=O)N(C)Cc1ccoc1 878372808 BLENNFNQHRNNJO-UHFFFAOYSA-N 221.300 2.840 30 20 BFED C#C[C@H](CC)NC(=O)Nc1csc(C)c1 880640936 XNUFKTIUSSPPPM-SECBINFHSA-N 222.313 2.590 30 20 BFED C=CC(C)(C)CC(=O)NCc1ccc(C)o1 881345267 LDAXKNUOURWXLX-UHFFFAOYSA-N 221.300 2.807 30 20 BFED N#Cc1cc2ccccc2nc1N1C[C@H]2C=C[C@H]1C2 882948758 KNBICIDSWASCPG-FZMZJTMJSA-N 247.301 2.871 30 20 BFED CCC#CCOC(=O)c1cccc(F)c1F 893839257 ZOANGQBCIRAWTQ-UHFFFAOYSA-N 224.206 2.535 30 20 BFED C=C1CCN(C(=O)NCCC2(C)CC2)CC1 894514389 ZXIWLCVCTSVSKQ-UHFFFAOYSA-N 222.332 2.538 30 20 BFED CCC(C)(CC)C(=O)Nc1ncc(C#N)s1 896485915 ALDVECFVDUEJGZ-UHFFFAOYSA-N 237.328 2.780 30 20 BFED C=C1CN(C(=O)c2ccc(COC(C)C)cc2)C1 898692631 VZWXXYOHFQPPNF-UHFFFAOYSA-N 245.322 2.624 30 20 BFED C=CCC[C@H](CC)N[C@@H]1CCCC[C@@H]1C(=O)O 901885920 YJYJMDQNPODEMQ-RWMBFGLXSA-N 239.359 2.964 30 20 BFED C=CCCOCCNCc1ccccc1NCC 902418143 VQWHRSQWNBUQIG-UHFFFAOYSA-N 248.370 2.801 30 20 BFED COc1cc(CSCCCCC#N)on1 902525925 NAWQWFCELOCGRG-UHFFFAOYSA-N 226.301 2.610 30 20 BFED N#Cc1cc(-c2ncn3c2CCCC3)ccc1F 906171408 FVVQGQOBWQDLMW-UHFFFAOYSA-N 241.269 2.897 30 20 BFED CCC[C@H](CC)NC(=O)N1CCC[C@@H](C#N)C1 915194773 MCBRIPRHHUYXIR-RYUDHWBXSA-N 237.347 2.510 30 20 BFED CCCCNN=C1CCc2ccccc21 915965743 BLSUOCUROXBYOL-UHFFFAOYSA-N 202.301 2.727 30 20 BFED C[C@H](C#N)OC(=O)C[C@@H]1CCCC[C@H]1C 920731289 VORLQCYANHXGDY-MXWKQRLJSA-N 209.289 2.658 30 20 BFED Oc1cccc(/C=N/CCc2cccs2)c1O 920944389 DJSLZYPJRDOSDB-NTEUORMPSA-N 247.319 2.821 30 20 BFED N#C[C@@H]1CCCN(C(=O)NCCCC2CCC2)C1 923285093 AOZZIUOJZPUOAJ-ZDUSSCGKSA-N 249.358 2.512 30 20 BFED CC[C@@](C)(C#N)NC(=O)[C@@H](C)c1ccccc1C 931300408 WEULWBZDLKCTPD-WFASDCNBSA-N 244.338 2.907 30 20 BFED C#CCN(Cc1ncc(C(C)C)o1)C(C)C 932385982 MUTOLVGWIIGIPF-UHFFFAOYSA-N 220.316 2.642 30 20 BFED C=C[C@@H](CC)CC(=O)NCc1ccncc1CC 935284623 WFQJOOYYXKKWTL-LBPRGKRZSA-N 246.354 2.863 30 20 BFED C=C[C@@H](COC)NCc1cc2cc(F)ccc2o1 1116615591 GHANKJDPMIKCFC-LBPRGKRZSA-N 249.285 2.863 30 20 BFED C=CCC(C)(C)c1nnc(-c2ccncc2)o1 1118362768 SJEJGKVFZPERDH-UHFFFAOYSA-N 229.283 2.985 30 20 BFED N#C[C@@H]1CCC[C@H](NC[C@H]2C[C@H]3C=C[C@H]2C3)C1 1119988375 ITABRVNAINYSKG-ZQNQSHIBSA-N 230.355 2.871 30 20 BFED C=C(CC)C(=O)N1CC2(CCC2)[C@@H]1C1CC1 1123787020 JLYQCXYPYBVYSN-LBPRGKRZSA-N 219.328 2.744 30 20 BFED C=C[C@@H](CC)CC(=O)N1c2ccncc2C[C@@H]1C 1123946565 NSMCKTDHCTXIEZ-RYUDHWBXSA-N 244.338 2.962 30 20 BFED CC(C)(C)ON=Cc1ccc([N+](=O)[O-])s1 1254453409 HHVIKMCPKCQXRV-UHFFFAOYSA-N 228.273 2.805 30 20 BFED C=C(C)CCC(=O)N(CC(F)F)C(C)C 1335819742 AVFYBSIDTWSVFW-UHFFFAOYSA-N 219.275 2.845 30 20 BFED C=C(C)CCC(=O)NC[C@@H](C)c1nccs1 1338950541 QSYRXVTYQDKSGI-SNVBAGLBSA-N 238.356 2.719 30 20 BFED COc1ccnc(CSCCCC#N)c1 1343547749 NEGSUZFVNBAFKL-UHFFFAOYSA-N 222.313 2.627 30 20 BFED C=CCC1(NC(=O)[C@@H]2C[C@H]2F)CCCCC1 1518232472 PXFDGNVDXQBAOE-GHMZBOCLSA-N 225.307 2.740 30 20 BFED CCCn1c(C(C)C)nnc1N(C)[C@@H](C)CC#N 1547147486 XVDZBDDMXNMYPN-NSHDSACASA-N 249.362 2.550 30 20 BFED CC(C)=CCON=Cc1ccc(C(=O)O)cc1 1590925254 WSPVHCSHDNHTNN-UHFFFAOYSA-N 233.267 2.702 30 20 BFED 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20 BFED C[C@@H]1CCCCN1CCOc1ccc(C#N)cc1 34651751 RTTMHTPUFCMTMY-CYBMUJFWSA-N 244.338 2.811 30 20 BFED CC(C)[C@@H](C)NCc1ccc(OCC#N)cc1 34992015 KIMTYNLDCHPNFE-GFCCVEGCSA-N 232.327 2.723 30 20 BFED CC[C@H](CC#N)NCCc1ccccc1F 36679278 PBAPFSZQSPNMSU-GFCCVEGCSA-N 220.291 2.650 30 20 BFED CC[C@H](C)C(=O)Nc1cccc(OCC#N)c1 36681764 ZQEAZHMVMVOTDW-JTQLQIEISA-N 232.283 2.574 30 20 BFED CN(Cc1ccccn1)c1ccc(C#N)cc1F 36886738 HDSVDSGFIOPWEL-UHFFFAOYSA-N 241.269 2.729 30 20 BFED N#C[C@H](C(=O)c1ccsc1)c1ccccn1 41493255 XJYCVIJQSFPUOV-JTQLQIEISA-N 228.276 2.633 30 20 BFED C#Cc1cccc(NC(=O)C#Cc2ccccc2)c1 41651972 OPSTXLITPJGTTO-UHFFFAOYSA-N 245.281 2.658 30 20 BFED CN(Cc1ccco1)C(=O)C1(C#N)CCCCC1 44385591 WPFQMNCVQNJVFE-UHFFFAOYSA-N 246.310 2.712 30 20 BFED C[C@@H](C1CC1)N(C)C(=O)C1(C#N)CCCCC1 44765826 ALTMMCWPBGZPQZ-NSHDSACASA-N 234.343 2.717 30 20 BFED C=C(Cl)CNc1ccccc1COC 49508339 IXYVMLUIMKXHBN-UHFFFAOYSA-N 211.692 2.997 30 20 BFED Cc1cc(C)c(CN(C)CCC#N)c(C)c1 50197851 SYOPXBWPCUDYOB-UHFFFAOYSA-N 216.328 2.957 30 20 BFED N#Cc1cnc(NC(=O)CCC2CCCC2)s1 56939516 OUQABZLBOJTKJC-UHFFFAOYSA-N 249.339 2.924 30 20 BFED CC[C@@H](C#N)C(=O)Nc1cc(F)c(F)cc1F 61094455 JZXYOYIZDITNDG-LURJTMIESA-N 242.200 2.592 30 20 BFED N#Cc1cnc(N2CCC[C@H]3CCCC[C@@H]32)cn1 71178828 WAUNTPXGDWXBBT-YPMHNXCESA-N 242.326 2.507 30 20 BFED N#Cc1ccccc1NC(=O)CC1CCC1 73850343 ANGPEPYAAMQAJZ-UHFFFAOYSA-N 214.268 2.687 30 20 BFED CCC[C@@H]1C[C@@H]1C(=O)Nc1ccccc1C#N 73850364 QHZOQHSHNFKSKZ-PWSUYJOCSA-N 228.295 2.933 30 20 BFED N#C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 79826991 KKXZTRVOENAPAU-JTQLQIEISA-N 247.273 2.593 30 20 BFED CCCCN(C)c1ccc(C#N)cc1[N+](=O)[O-] 82546941 GBCXFQAHSGRBOI-UHFFFAOYSA-N 233.271 2.703 30 20 BFED C=C(C)CN1CC[C@@H](OCCC(C)C)C1 83246865 BFNJXAUCEMQJTM-CYBMUJFWSA-N 211.349 2.700 30 20 BFED CCCCCC(C)(C)C(=O)/N=C1/NCCS1 84523305 LCUPGOHZNWRHAP-UHFFFAOYSA-N 242.388 2.812 30 20 BFED CCCCCCCN1CCCC[C@H]1CO 88204612 SGJNZAWAAHFTFM-ZDUSSCGKSA-N 213.365 2.804 30 20 BFED N#Cc1cccc(OCc2nccs2)c1 94966526 RPGSUZQJZJSXLK-UHFFFAOYSA-N 216.265 2.594 30 20 BFED CCC(CC)[C@H](O)C/N=C/c1ccccc1O 110129638 GZNNDCPRRIGAKT-UWZYDCLUSA-N 235.327 2.608 30 20 BFED CC(C)(C)CN(CCC#N)CC(F)(F)F 111250624 AWFIWZLJKGJCKY-UHFFFAOYSA-N 222.254 2.810 30 20 BFED C#CCCSc1ncnc2ccccc12 113273243 GYYZXPWIMRHKRV-UHFFFAOYSA-N 214.293 2.745 30 20 BFED CCC[C@@H](C)CC(=O)Nc1ccn(CCC#N)n1 117710339 XZKGWQBUZTVIJZ-LLVKDONJSA-N 248.330 2.562 30 20 BFED CCN(CC#N)Cc1ncc(-c2ccccc2)o1 120997500 VNBBKIHOBAAWQY-UHFFFAOYSA-N 241.294 2.687 30 20 BFED CC#CCNC(=O)C(C)(C)c1ccccc1Cl 121594675 UBBDWXPFXMWBNQ-UHFFFAOYSA-N 249.741 2.757 30 20 BFED Cc1ccnc(N[C@H]2CC[C@@H](C)C2)c1C#N 129195809 INHCCAWHWULAAW-KOLCDFICSA-N 215.300 2.862 30 20 BFED C=C[C@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 129255371 ZDZRGWYIMODJIV-QMMMGPOBSA-N 222.244 2.590 30 20 BFED C=C(C)CN[C@@H](C)c1ccc(N(C)C)cc1 130760673 MLPXRUYXLOOEAF-LBPRGKRZSA-N 218.344 2.979 30 20 BFED C#CCOc1ccccc1CN[C@@H]1CC[C@@H](C)C1 135187165 ASCQGDFGAZKIIE-UKRRQHHQSA-N 243.350 2.977 30 20 BFED C=C(C)COCCNC(=O)[C@H]1CCC[C@H](C)C1 136135844 SAHCQGVVPDDSCO-STQMWFEESA-N 239.359 2.522 30 20 BFED C#CCOc1ccc(CN[C@@H]2C=CCCC2)cc1 151149313 IBWDBCXZEKMYSB-OAHLLOKOSA-N 241.334 2.897 30 20 BFED C=C(C)CNC(=O)c1ccc(Cl)c(C)c1 153421366 QWNFIIZXUDOAJV-UHFFFAOYSA-N 223.703 2.954 30 20 BFED C=C[C@H](C)NC(=O)/C=C/c1ccccc1F 153885701 AQKLCIUPENIQQF-DDXVTDLHSA-N 219.259 2.530 30 20 BFED CC#CCCN1CC=C(c2ccc(O)cc2)CC1 155053614 LKJBDBPMMPHHNA-UHFFFAOYSA-N 241.334 2.895 30 20 BFED CC#CCCSc1nnc(OC(C)C)s1 155277393 JSAYRHNMIJVZLH-UHFFFAOYSA-N 242.369 2.831 30 20 BFED COc1ccc(OC[C@@H](C#N)CCC#N)cc1C 155377678 BZTVZWQTNOSSEI-GFCCVEGCSA-N 244.294 2.826 30 20 BFED C#CCCCN[C@H](C)c1ccc(F)cc1 160789733 QHPRFXFFOHIVBU-LLVKDONJSA-N 205.276 2.890 30 20 BFED C=CCN(C)C(=O)c1sccc1CC 161527340 UQRXNMKXGYXQGY-UHFFFAOYSA-N 209.314 2.569 30 20 BFED Cn1cncc1COc1cc(Cl)ccc1C#N 161658326 AYBXPTISLKQFDD-UHFFFAOYSA-N 247.685 2.524 30 20 BFED C=CCCNCc1cc2c(cc1OC)C[C@H](C)O2 161730453 UJQFBJRITHQHNI-NSHDSACASA-N 247.338 2.684 30 20 BFED C=C(C)COCCN[C@@H](C)Cc1ccc(O)cc1 163553816 ADRMIJKVUWROLB-ZDUSSCGKSA-N 249.354 2.506 30 20 BFED C=CCCNCc1ccc([N+](=O)[O-])cc1Cl 168740704 JEZPHCZQOKREIZ-UHFFFAOYSA-N 240.690 2.914 30 20 BFED C#CCCOC(=O)c1cccc(OCCC)c1 170716923 HPSFHIZUIRHOKZ-UHFFFAOYSA-N 232.279 2.656 30 20 BFED C#CCCCNC(=O)NCCCC(C)(C)C 174103208 ITPHSJRTKQWSFJ-UHFFFAOYSA-N 224.348 2.525 30 20 BFED CC[C@@H](C#N)OC(=O)c1ccc(Cl)cc1F 176023465 SIFMWXSLNSXMGX-QMMMGPOBSA-N 241.649 2.938 30 20 BFED CCC[C@@H](C)OC(=O)c1ccccc1OCC#N 177772854 RSVXFFVQTFEOBN-LLVKDONJSA-N 247.294 2.934 30 20 BFED CC(C)=CC(=O)Nc1cccc(C#N)c1C 178371833 WTSKKDBWNXHDJG-UHFFFAOYSA-N 214.268 2.771 30 20 BFED C=CCN(Cc1ccc(OC)cc1)C[C@H](C)OC 182077089 CEGLBGTVYHQPPM-ZDUSSCGKSA-N 249.354 2.718 30 20 BFED CC#CCNc1ccc(C)c(OC)c1C 182301310 OZYVVYXGJGSHTB-UHFFFAOYSA-N 203.285 2.747 30 20 BFED C=C(Br)CNC(=O)[C@@H](C)[C@H](C)CC 183627549 XVQGUYCGPVYFKI-APPZFPTMSA-N 248.164 2.693 30 20 BFED CC#CCCCC(=O)Nc1ccc(OC)nc1C 185852598 GMSNBXFTOBOGOR-UHFFFAOYSA-N 246.310 2.531 30 20 BFED C#CCCCC(=O)N(C(C)C)C1CCCC1 192126225 UJWDEJCFJNSRHX-UHFFFAOYSA-N 221.344 2.970 30 20 BFED C[C@@H](C#N)CNCCSCc1ccccc1 193918463 XMULEBHKSLATNX-LBPRGKRZSA-N 234.368 2.669 30 20 BFED COc1cc(C#N)cc(Cl)c1OCCC#N 194209976 AHZPCVDKWFHHIU-UHFFFAOYSA-N 236.658 2.513 30 20 BFED CC(C)COc1cc(C#N)cc(Cl)n1 215386047 MIWVHDUOLARRSJ-UHFFFAOYSA-N 210.664 2.641 30 20 BFED CC[C@](C)(C#N)C(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 227483105 DCWAVMBDCJTZKF-GFQSEFKGSA-N 236.359 2.867 30 20 BFED C#C[C@@H](CC)NCc1ccc(OC)c(Cl)c1 229896561 MQKDSIRPFIILGD-NSHDSACASA-N 237.730 2.850 30 20 BFED CCC(C)(C)CNC[C@@H](O)c1ccc(C#N)cc1 232885549 RLVALWHBGIMHNM-CQSZACIVSA-N 246.354 2.617 30 20 BFED CO[C@H]1C[C@H](NCCCC(C)(C)C#N)C1(C)C 234796085 IGIGRYHJKDXIJD-RYUDHWBXSA-N 238.375 2.719 30 20 BFED CC[C@H](C)[C@@H](C(=O)N[C@H](C)C#N)c1ccccc1 252373321 QKDCPBNQUTWZEK-OUCADQQQSA-N 244.338 2.845 30 20 BFED CC[C@H](C)N/C(=N/C)NCc1ccc(C)s1 263246672 NBQMJEQZJQSBHL-VIFPVBQESA-N 239.388 2.520 30 20 BFED CC1(C(=O)NCC#Cc2ccccc2)CCCC1 263744531 RLHSQPLGGGHFRW-UHFFFAOYSA-N 241.334 2.735 30 20 BFED CCN(CC(C)(C)O)[C@@H](C)c1ccc(C#N)cc1 270452405 LCTFUKLNWUCVOR-LBPRGKRZSA-N 246.354 2.712 30 20 BFED C#CCCN1CC[C@H](c2ccccc2OC)C1 270572339 GXQLMTPLQXOSCF-ZDUSSCGKSA-N 229.323 2.508 30 20 BFED C=CCN(Cc1ccc(OC)c(C#N)c1)C1CC1 271345526 CREXPNWSCVZTEU-UHFFFAOYSA-N 242.322 2.717 30 20 BFED C=CCN(Cc1ccn(C(C)C)n1)C1CC1 271449623 NWMLFTBPDHBEBP-UHFFFAOYSA-N 219.332 2.614 30 20 BFED C#CC[C@@H](NCCOC(C)C)c1ccccc1 271739491 UZHSUHYFFIWBML-OAHLLOKOSA-N 231.339 2.766 30 20 BFED CCN(CC(F)F)c1ncc(C#N)cc1Cl 273367333 XCLWFKWYQAJLRD-UHFFFAOYSA-N 245.660 2.698 30 20 BFED C[C@@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])C[C@@H]1C 274269321 QIAUQZRXECYSDN-AOOOYVTPSA-N 245.282 2.559 30 20 BFED Cc1cc(OC(=O)[C@H]2CCCS2)ccc1C#N 277749729 BXRNHDVFOJRPRY-GFCCVEGCSA-N 247.319 2.668 30 20 BFED CN(C)c1ccc(NC(=O)CC(C)(C)C#N)cc1 278162956 CMPDKSMYBWRDOV-UHFFFAOYSA-N 245.326 2.631 30 20 BFED C[C@H]1CCC[C@H]1NCCOc1cccc(C#N)c1 279218802 HUXILQNBXCSOPH-SWLSCSKDSA-N 244.338 2.715 30 20 BFED CC1(C#N)CN(Cc2cccc(Cl)c2)C1 281131387 YIWNQQSNOPAQQN-UHFFFAOYSA-N 220.703 2.685 30 20 BFED CC1(C)CC[C@@H]1Nc1ccnc(C#N)c1 286492460 RLDIABHIPNFGCP-NSHDSACASA-N 201.273 2.554 30 20 BFED C[C@H]1[C@H](C)CCN1c1nc(Cl)c(C#N)s1 288618732 ZYFYDLHTFIJXLQ-RQJHMYQMSA-N 241.747 2.903 30 20 BFED C=C(C)CN1CCC=C(c2cccnc2)C1 289455883 XSRWEZLAPXGKIA-UHFFFAOYSA-N 214.312 2.747 30 20 BFED C=CCn1c(CC(C)C)nnc1N1CCC[C@@H]1C 290060199 BOADSFWZFJLDGO-LBPRGKRZSA-N 248.374 2.651 30 20 BFED CO[C@@H]1CCCC[C@H]1Nc1ccc(C#N)c(C)n1 292051901 WBQWKFSLTDPFSA-CHWSQXEVSA-N 245.326 2.631 30 20 BFED C=CCC(C)(C)C(=O)NCc1occc1C 292382880 NAYWVQQETGSABV-UHFFFAOYSA-N 221.300 2.807 30 20 BFED CC1(C)CN(c2ncccc2C#N)[C@H]2CCC[C@@H]21 294150864 QYUXYMTWHUCCQZ-STQMWFEESA-N 241.338 2.968 30 20 BFED C[C@H](c1cccc(C#N)c1)N(C)CC(C)(C)CO 295282002 STBHIBJZJSIXLH-GFCCVEGCSA-N 246.354 2.570 30 20 BFED C=CCCc1noc(CCc2cncc(C)c2)n1 297480633 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245.282 2.501 30 20 BFED Fc1ccc(C=NOCCOCC2CC2)cc1 588421990 RWHMTZVMVPUJTA-UHFFFAOYSA-N 237.274 2.603 30 20 BFED CC(C)C[C@H](C#N)NC(=O)[C@@H]1CC2CCC1CC2 590205338 FMLPHKNCRCUJRX-NWINJMCUSA-N 248.370 2.867 30 20 BFED CC1(C)C[C@]1(C#N)NC(=O)[C@H]1CC[C@H](C)CC1 593158989 CQZKEQRYENKVBD-JTNHKYCSSA-N 234.343 2.621 30 20 BFED N#CC[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 596322212 RAJUGZQLMADMDE-LLVKDONJSA-N 245.282 2.725 30 20 BFED C=C(CC)CSCCC(=O)OCC 601095155 GEYQVTVZRLVKMW-UHFFFAOYSA-N 202.319 2.639 30 20 BFED C[C@@H](CCC#N)CNC[C@@H]1CCCC1(F)F 602684849 JQOSYMBDLVKZBH-QWRGUYRKSA-N 230.302 2.951 30 20 BFED C[C@@H](CCC#N)CNC1CC2(CCC2)C1 602706977 RNSQBIOJLNTNLK-NSHDSACASA-N 206.333 2.849 30 20 BFED COCc1cc(C#N)ccc1N[C@H]1CC1(C)C 603278740 QYCCHHGSQZZXHX-ZDUSSCGKSA-N 230.311 2.915 30 20 BFED C[C@@]1(C#N)CCCN(c2ncc(Cl)s2)C1 613183094 QXBGYELOZYGQRU-JTQLQIEISA-N 241.747 2.927 30 20 BFED C=CCCNC(=O)[C@@H](C)CCOc1ccccc1 617616124 KENKQRGBBQWGKP-ZDUSSCGKSA-N 247.338 2.784 30 20 BFED 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2.755 30 20 BFED CON(CCCSCC#N)CC(C)(C)C 796477006 BCKJLUTUYPPKAC-UHFFFAOYSA-N 230.377 2.543 30 20 BFED CN(C)C(=S)NN=CCC1CCCCCC1 799109749 KXCMSSYAGXEBSL-UHFFFAOYSA-N 241.404 2.769 30 20 BFED C#CCCOC(=O)[C@H](CCC)c1ccccn1 799536125 MOLFPWJBHOPCMP-GFCCVEGCSA-N 231.295 2.532 30 20 BFED CC#CC(=O)N(CC[C@H]1C[C@H]2CC[C@H]1C2)C1CC1 801148133 RZVPREVCPXDTGB-IHRRRGAJSA-N 245.366 2.827 30 20 BFED C[C@@H](C#N)OCCN(C#N)c1cccc(Cl)c1 801659198 BXNXQWXWMSKRHH-JTQLQIEISA-N 249.701 2.556 30 20 BFED CCCCCCCCOC(=O)c1[nH]nnc1C 805547747 JUDYPSFVWREPFD-UHFFFAOYSA-N 239.319 2.630 30 20 BFED C#C[C@@H](NC(=O)C[C@@H](C)C1CC1)C(C)(C)C 807883394 AEZKATVYLHXUAM-ZYHUDNBSSA-N 221.344 2.587 30 20 BFED CC(C[C@@H]1CCOC1)=NOC/C=C\Cl 811668521 HMLFXUVXFDMTSJ-BUMVFIMDSA-N 217.696 2.558 30 20 BFED C=CCN(CCC#N)C(=O)[C@H](F)c1ccccc1 814137939 ZNJHFYAMJRMJES-CYBMUJFWSA-N 246.285 2.625 30 20 BFED Cc1cc(Cl)cc(C=Nn2c(C)nnc2C)c1 814755592 GPFIJJLOEQCHAM-UHFFFAOYSA-N 248.717 2.739 30 20 BFED COc1cccc(NN=CCCCSC)n1 814900033 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BFED CCCON=C1CCCc2c(O)cccc21 842557619 PPJBVEZXSSPNGJ-UHFFFAOYSA-N 219.284 2.859 30 20 BFED CCCON=C(C)c1ccc(O)c(C)c1 842558366 XKPFHCDQNNATBM-UHFFFAOYSA-N 207.273 2.851 30 20 BFED C=C[C@@H](C)ONC(=O)N[C@@H](C)CCC(C)C 844284877 YDPVGMWQDFARRP-WDEREUQCSA-N 228.336 2.616 30 20 BFED C#CCN(CC)C(=O)[C@H](C)c1ccc(Cl)cc1 844352125 UFLVODYRHZMSKR-LLVKDONJSA-N 249.741 2.925 30 20 BFED Cc1c(NN=CC2(F)CC2)cccc1C(=O)O 844624030 SLVDOCGJMXDWKR-UHFFFAOYSA-N 236.246 2.593 30 20 BFED CC(C)(C#N)CCOC(=O)/C=C\c1cccnc1 847902187 KGRDKWDOEGZPNU-WAYWQWQTSA-N 244.294 2.578 30 20 BFED CCCCCCCCNC(=N)NCCCC#N 849017320 CMLWHUJLZPRBKN-UHFFFAOYSA-N 238.379 2.765 30 20 BFED C[C@@H](C#N)N(Cc1cccc(Cl)n1)C1CC1 852480273 ONCKWPKEELXVTG-VIFPVBQESA-N 235.718 2.611 30 20 BFED C#CCCCOc1cccnc1NC[C@H]1C[C@@H]1C 853161754 ZLRZJEXAVHOIKV-QWHCGFSZSA-N 244.338 2.942 30 20 BFED C[C@H]1CCCCN1N=Cc1nc2c(s1)CCC2 853381420 CHMFKRFKSSZWFN-JTQLQIEISA-N 249.383 2.840 30 20 BFED Cc1cnc(C=NN2CCCC[C@H]2C)s1 853382026 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20 BFED Fc1cccc(/C=C\C=NOC[C@H]2CCOC2)c1 884453667 VWPDFJRDTDUFAJ-AOFJSYEMSA-N 249.285 2.878 30 20 BFED CCN(Cc1cnc(F)c(C)c1)C[C@@H](C)C#N 891715294 CHQKUVMVGVCXOL-JTQLQIEISA-N 235.306 2.511 30 20 BFED C=CC1(OC(=O)Cc2nc(C)sc2C)CC1 893363801 GKZVBYZOSCQERF-UHFFFAOYSA-N 237.324 2.564 30 20 BFED CCc1onc(C)c1C=NN[C@H](C)C(C)(C)C 901246507 OLBOTMOFOIPNAS-SNVBAGLBSA-N 237.347 2.904 30 20 BFED O[C@@H]1CCCC[C@H]1NN=C1CCCCCCC1 901343106 WLHJCFGCJDODKW-ZIAGYGMSSA-N 238.375 2.980 30 20 BFED C=C(C)C[C@@H](NC(CCC)CCC)C(=O)O 901680674 ZQEQURMZFFOZHI-GFCCVEGCSA-N 227.348 2.964 30 20 BFED C=CCC[C@@H](NC1CCC2(CC1)CC2)C(=O)O 901689742 FPCFTLYMQYRIBL-GFCCVEGCSA-N 237.343 2.718 30 20 BFED N#CC1(CN[C@@H]2CCCc3occc32)CC1 903106661 UJJBBSSWXYRHOU-LLVKDONJSA-N 216.284 2.550 30 20 BFED CCCCN(O)C(=O)NCC(C)(C)CCC#N 904185398 APOQAQFYSJDUOH-UHFFFAOYSA-N 241.335 2.517 30 20 BFED C=C[C@H](CC)CC(=O)Nc1cnnc(Cl)c1 905827912 SAAGFLLVCQNNJS-MRVPVSSYSA-N 239.706 2.671 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1cc(C#N)cc(C)n1 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2.700 30 20 BFED N#Cc1ccsc1NC(=O)N[C@@H]1CC=CCC1 931842524 JFPGVVSDESHKHZ-SNVBAGLBSA-N 247.323 2.850 30 20 BFED N#Cc1ccc(SCCc2cncs2)nc1 1165505631 YZPWOBQXEVGGPS-UHFFFAOYSA-N 247.348 2.745 30 20 BFED CC[C@@H](C)CON=Cc1cccnc1N(C)C 1324798337 QDYNMYMVRHUJLK-LLVKDONJSA-N 235.331 2.544 30 20 BFED CC[C@](C)(C#N)c1nnc(C2CCCC2)o1 1330094326 VYUVUODUVGUGLG-GFCCVEGCSA-N 219.288 2.918 30 20 BFED Cc1nnn(N=CC[C@H](C)c2ccccc2)c1C 1331983454 NDUFVVMRXFWSSQ-NSHDSACASA-N 242.326 2.923 30 20 BFED C=C1CC(c2noc(CC3CCC3)n2)C1 1332054207 QFSXWNICQNPOFT-UHFFFAOYSA-N 204.273 2.846 30 20 BFED N#Cc1ccc(-c2nnc(CCCF)o2)cc1 1335381582 LVGUEHPGATVCCV-UHFFFAOYSA-N 231.230 2.510 30 20 BFED C[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2F)C1 1336723888 XKCHGIQLXDMRIY-SNVBAGLBSA-N 246.285 2.569 30 20 BFED C=CCCC[C@H](N)C(=O)N[C@H](C)C[C@H](C)CC 1341559499 GBGDYBZXPJKSRR-UPJWGTAASA-N 240.391 2.611 30 20 BFED C=C[C@H](COC)N[C@@H](CC)Cc1ccccc1 1342732105 JEQOEENDPXJOBG-LSDHHAIUSA-N 233.355 2.798 30 20 BFED CC(C)(C)C#CCOC(=O)c1cnc(C2CC2)o1 1343423758 MEOSFEIPHBTIIH-UHFFFAOYSA-N 247.294 2.758 30 20 BFED C=C[C@@H](CC)CC(=O)O[C@@H](C)c1nccn1C 1345625197 CVXSJCHLSMDYDM-QWRGUYRKSA-N 236.315 2.627 30 20 BFED C=C(CC(C)C)C(=O)N1CCC[C@H]1CSC 1348127688 KRTHAXVXUKSNJS-LBPRGKRZSA-N 241.400 2.943 30 20 BFED C#CCCCCCOC(=O)[C@H]1CCC[C@H]1OC 1358336753 STEAICBWBAORLS-QWHCGFSZSA-N 238.327 2.538 30 20 BFED N#Cc1cc(NC(=O)c2ccoc2)c(F)cc1F 1462285029 ZOHDTVIONNIGTB-UHFFFAOYSA-N 248.188 2.682 30 20 BFED Cc1occc1C(=O)[C@@H](C#N)c1cccc(F)n1 1524696503 RWZBGEDHXZQPDW-JTQLQIEISA-N 244.225 2.612 30 20 BFED C=CCC[C@H](NC(=O)C[C@H](C)N)c1ccccc1 1574901937 XQBKZWAJISGBOU-JSGCOSHPSA-N 246.354 2.547 30 20 BFED C=CC[C@@H](Nc1cccc(F)c1C)C(=O)O 1588751534 NVJWDQKUHXVIAL-LLVKDONJSA-N 223.247 2.575 30 20 BFED Cc1cc(OCC2(C#N)CCC2)ccc1C(=O)O 1600290200 KRVRYWMVULRDFF-UHFFFAOYSA-N 245.278 2.766 30 20 BFED C=C1C[C@@H](C(=O)O)N(C[C@H]2CCC=CCCC2)C1 1776145844 USVIPNOTADRDCH-KBPBESRZSA-N 249.354 2.838 30 20 BFED C=CCCCN1CC[C@]2(C(=O)O)CCCC[C@H]12 1776174217 XXMJMHCEIPMMJX-GXTWGEPZSA-N 237.343 2.672 30 20 BFED C[C@H](NC(=O)c1ccoc1)c1ccc(C#N)cc1 26123739 JZPQWXNATDFSEY-JTQLQIEISA-N 240.262 2.642 30 20 BFED C[C@@H]1CCN(c2c(C#N)cnc3ccccc23)C1 40724861 VUERMHOHCUHLPJ-LLVKDONJSA-N 237.306 2.953 30 20 BFED CCCCCC[C@H](C)NC(=O)[C@H](C)C#N 44825336 RMKARLCLUWHPBZ-MNOVXSKESA-N 210.321 2.621 30 20 BFED CCc1ccc(CN(CC)CC#N)s1 45061183 FDGARDGFBNGGEM-UHFFFAOYSA-N 208.330 2.656 30 20 BFED C[C@@H](C#N)CN(C)CCc1cccc(Cl)c1 49828410 BFBKAESQIVLYKS-NSHDSACASA-N 236.746 2.974 30 20 BFED COCCN(CCCC#N)Cc1cccs1 53099760 YBQAAUUJKFCGGW-UHFFFAOYSA-N 238.356 2.500 30 20 BFED CN(CCCCC#N)CCOc1ccccc1 70949625 RYUCKNPWPNSWJR-UHFFFAOYSA-N 232.327 2.691 30 20 BFED C[C@@H](CC#N)NC(=O)[C@@H](C)CC1CCCC1 72571445 KZICFZILBUGLGX-QWRGUYRKSA-N 222.332 2.621 30 20 BFED CN1CCN(CCCCC#N)c2ccc(F)cc21 72857454 WASAJWIKMZHRJZ-UHFFFAOYSA-N 247.317 2.776 30 20 BFED N#Cc1ccc(Oc2ncccn2)c(Cl)c1 78427730 PTXOVNJEJWSDHG-UHFFFAOYSA-N 231.642 2.794 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CC#CCN[C@H](C)c1ccc(OC(F)F)cc1 135268773 GPJGJJIUZZZZEP-SNVBAGLBSA-N 239.265 2.962 30 20 BFED C=C(C)CN(CC)C(=O)c1scnc1CC 137095714 WZHRHRCDRISNFB-UHFFFAOYSA-N 238.356 2.744 30 20 BFED Cc1cccc(CCNc2ccc(C#N)nc2)c1 149394135 VWKGZTGCDGSPCF-UHFFFAOYSA-N 237.306 2.916 30 20 BFED CC#CCCOc1c(C)cccc1C(=O)NCC 154862317 SWTUCTSHOXYHEH-UHFFFAOYSA-N 245.322 2.537 30 20 BFED C=CCN(C)C(=O)Nc1cc(C)cc(F)c1 157632457 KKJIONGVYBMQEC-UHFFFAOYSA-N 222.263 2.784 30 20 BFED CC#CCN(Cc1ccc(C#N)cc1)C(C)C 159769740 CCTWTGOXQOIBHT-UHFFFAOYSA-N 226.323 2.792 30 20 BFED C=C(C)CNC(=O)Cn1cc(C)c2ccccc21 161228005 VGDKIGKCYJADAJ-UHFFFAOYSA-N 242.322 2.642 30 20 BFED C=CCCN1CCC[C@H]1c1cccn1C 172619579 DJPUIHKSRXKDCE-ZDUSSCGKSA-N 204.317 2.738 30 20 BFED C=CCCN1CCO[C@@H](c2ccc(F)cc2)C1 172620705 SEKPHQOFICGCJD-CQSZACIVSA-N 235.302 2.775 30 20 BFED C#CCCCNCc1ccc([C@@H]2C[C@@H]2C)o1 174614455 QBZGQGVYHQOYHE-WCQYABFASA-N 217.312 2.906 30 20 BFED C=CCCCC(=O)NC[C@H](OC)c1ccccc1 175215490 HRAPWCTUWSKWMU-AWEZNQCLSA-N 247.338 2.847 30 20 BFED Fc1cccc(CO/N=C2/CCCOCC2)c1 180470561 ZFPJHRWIJPSJAV-SQFISAMPSA-N 237.274 2.899 30 20 BFED C=C(C)CN(C)Cc1cc(F)ccc1C#N 181302741 KCAYTGQGHHDKAR-UHFFFAOYSA-N 218.275 2.705 30 20 BFED Cc1ccccc1C[C@H](C)NC[C@H](C)C#N 185574839 JHTUVGSLKFVXIP-YPMHNXCESA-N 216.328 2.675 30 20 BFED C=CCC[C@H](C(=O)N[C@@H](C)C#N)c1ccccc1 188855420 VAASNZDKRQQYJL-JSGCOSHPSA-N 242.322 2.765 30 20 BFED C=CC[C@@H](C)NCc1nccn1-c1ccccc1 191104776 OVZATPFRANCOBP-CYBMUJFWSA-N 241.338 2.927 30 20 BFED C#CCN(C)C(=O)[C@H](CC)CCCCC 191148957 KWVZVWJNGLQSOS-GFCCVEGCSA-N 209.333 2.685 30 20 BFED C=CCC1(C(=O)N[C@H](C)CSC)CCC1 191926386 UKEKHVVVHQKZQX-SNVBAGLBSA-N 227.373 2.601 30 20 BFED N#CCOc1ccccc1C(=O)OC1CCCC1 194070466 YJOWCXQORMTHRK-UHFFFAOYSA-N 245.278 2.688 30 20 BFED CC(C)C[C@H](O)CN[C@@H](C)c1ccc(C#N)cc1 223664227 KDHXTSCWQNOFBV-WFASDCNBSA-N 246.354 2.616 30 20 BFED C=C(C)COCCNCc1cccc2cc[nH]c12 230224260 QOZOLSYPVBSKSC-UHFFFAOYSA-N 244.338 2.850 30 20 BFED O=C(/C=C\c1cccnc1)c1cncc(F)c1 255630572 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237.372 2.690 30 20 BFED N#CCc1cccc(N[C@H]2CCn3ccnc32)c1 313440071 YKVQQHKZGCIDNL-ZDUSSCGKSA-N 238.294 2.506 30 20 BFED C=C[C@H](C)NC(=O)Nc1scnc1C1CC1 331744666 CHLYCQPRUYHYFP-ZETCQYMHSA-N 237.328 2.717 30 20 BFED CC1=C(C)CN(c2cc(C#N)cc(C)n2)CC1 334292854 OREZRYAGCQPEIH-UHFFFAOYSA-N 227.311 2.808 30 20 BFED N#CC1(CN2CCC[C@@H]3CCC[C@H]32)CC1 334335089 ZLPRMSRDGBDKTC-NWDGAFQWSA-N 204.317 2.555 30 20 BFED CCC1(C)CN(c2c(C#N)cccc2C#N)C1 334491167 PVRKAHYSMDSVQK-UHFFFAOYSA-N 225.295 2.666 30 20 BFED CC[C@H]1C[C@H](C)CN1C(=O)NCC1(C#N)CCC1 334947858 MISGMOJHVTVPFC-RYUDHWBXSA-N 249.358 2.510 30 20 BFED C=C[C@H]1CCCCN1CC1CCC(=O)CC1 335194085 KCSKSONMQUNKMX-ZDUSSCGKSA-N 221.344 2.786 30 20 BFED Cc1cc(S[C@H]2CCO[C@@H]2C)c(C#N)cn1 335509941 ISWBFYGFBFIXIV-KOLCDFICSA-N 234.324 2.531 30 20 BFED CC1(C#N)CCC(N[C@@H]2CCCSC2)CC1 335581107 KEBPPGFIHAJINJ-OTTFEQOBSA-N 238.400 2.944 30 20 BFED C=C(C)C(C)(C)C(=O)N1CCS[C@@H](C)[C@@H]1C 335596374 OXHWOBNWAVXZHW-QWRGUYRKSA-N 241.400 2.941 30 20 BFED 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2.569 30 20 BFED C=CCC[C@@H](O)CN(C1CCC1)C1CCC1 429144891 VPKGYHZZRPKFPW-CQSZACIVSA-N 223.360 2.721 30 20 BFED C=CCC(C)(C)CNC(=O)N[C@@H]1C[C@H]1CC 432345580 HKLCEYMFWRVAAI-GHMZBOCLSA-N 224.348 2.686 30 20 BFED Cc1ccnc(COc2ccc(C#N)c(C)c2)n1 434649878 FJWUGAPUQYTGAL-UHFFFAOYSA-N 239.278 2.544 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@@H](CC)C[C@H](C)CO 442665007 LGMYSNBXSFKSNY-SGMGOOAPSA-N 241.375 2.502 30 20 BFED CCC[C@@H]1CCC[C@@H]1C(=O)N(C)C[C@H](C)C#N 448767929 BDENGNYPBSOHBR-UPJWGTAASA-N 236.359 2.821 30 20 BFED CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H](C#N)C(C)(C)C 450111551 HLMUQFDLLWMZAB-IJLUTSLNSA-N 236.359 2.723 30 20 BFED C=CCC(C)(C)CNC(=O)c1cc(C#N)[nH]c1C 452143159 ZPGCHFQJHUJFNM-UHFFFAOYSA-N 245.326 2.527 30 20 BFED C=CCC[C@H](CO)N[C@H]1CCc2c(C)cccc21 453377466 XODDRBIGYHPBFO-CJNGLKHVSA-N 245.366 2.899 30 20 BFED C=CC(C)(C)CNC(=O)[C@H](C)C1CCC1 457825797 GWHNYECLUMADBN-SNVBAGLBSA-N 209.333 2.751 30 20 BFED CC#CCCN(C)[C@@H]1C[C@H](OC)C1(CC)CC 462332910 OTPMMJJGLLSKSO-KGLIPLIRSA-N 237.387 2.925 30 20 BFED C=C[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1 488810761 BDNJAUSXPNCYRM-AWEZNQCLSA-N 247.313 2.935 30 20 BFED C=CCN(C)C(=O)c1sccc1C1CC1 490072243 AOVKWYFRDPVRFM-UHFFFAOYSA-N 221.325 2.884 30 20 BFED C#C[C@H](C)N(C)Cc1csc(CCCC)n1 491465697 XHQFAIKSQANXBU-NSHDSACASA-N 236.384 2.939 30 20 BFED C#C[C@H](NC(=O)[C@@]1(C)CC=CCC1)C(C)C 491688717 CWXUDOVMKGDYMA-JSGCOSHPSA-N 219.328 2.507 30 20 BFED C=CCCc1noc(C[C@H](C)c2ccncc2)n1 528205840 HCDDBPQCGORWPK-NSHDSACASA-N 243.310 2.929 30 20 BFED COCc1cccc(CN(CCC#N)C(C)C)c1 535072568 PTBNTSAOOHCEBW-UHFFFAOYSA-N 246.354 2.957 30 20 BFED CCSc1ccccc1C(=O)N[C@H](C#N)CC 548520739 BNRKHDRXRNJHSC-JTQLQIEISA-N 248.351 2.831 30 20 BFED N#Cc1ccc(Sc2cccnn2)c(F)c1 553068310 ZOLUWLAQJYPBKG-UHFFFAOYSA-N 231.255 2.639 30 20 BFED N#CCS[C@H]1CCc2ccccc2C1 565241168 AMMZOHSSBDMNIG-LBPRGKRZSA-N 203.310 2.801 30 20 BFED C[C@H]1CCC[C@H](C)N(C(=O)NCC2(C#N)CC2)C1 567825777 DZXWRAOQPNGKAG-RYUDHWBXSA-N 249.358 2.510 30 20 BFED N#CCCCCCC(=O)Nc1ccc(O)cc1 588154118 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30 20 BFED CO[C@@H](C)C/N=C(/O)c1scnc1C(C)C 331345995 VUFNSLQZWMDNOW-QMMMGPOBSA-N 242.344 2.606 30 20 BFED C[C@H](C#N)CN(C)c1ccnc2cc(F)ccc12 335085785 BAUZTFSNZUEKNH-SNVBAGLBSA-N 243.285 2.970 30 20 BFED C[C@]1(NC(=O)c2ccc(C#N)cc2)CC=CCC1 335143409 FVIRLEWIAQUUPK-HNNXBMFYSA-N 240.306 2.787 30 20 BFED Cc1c(C#N)cccc1NC(=O)[C@@H]1CCSC1 335400728 PCHGIFPLWAKUOO-LLVKDONJSA-N 246.335 2.558 30 20 BFED C=C[C@@H](C)NC(=O)Nc1ccc2ncsc2c1 336041316 GWUZYWSLVLZFCM-MRVPVSSYSA-N 247.323 2.992 30 20 BFED C=C[C@H]1CCCCN1C(=O)c1ccc(C)n1C 336101796 LMNSYBSHZXPMDO-LBPRGKRZSA-N 232.327 2.514 30 20 BFED C=C1CCN(C(=O)C(C)(C)C2CCC2)CC1 336246979 OIONZWHJSHCPAX-UHFFFAOYSA-N 221.344 2.991 30 20 BFED C[C@H]1CC[C@@]2(CCN(CC3(C#N)CC3)C2)C1 336495679 QFDIWHKGADVBGC-QWHCGFSZSA-N 218.344 2.802 30 20 BFED N#CCCCNCc1ccc(F)cc1Cl 336720785 DAGQHWCSQDXIGF-UHFFFAOYSA-N 226.682 2.872 30 20 BFED C=CCC[C@H](CC)NC[C@H](OC)C(C)C 336739863 SVMMAJDWNYMFOJ-STQMWFEESA-N 213.365 2.992 30 20 BFED C=CCOCCSc1ccccc1C#N 338551117 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2.649 30 20 BFED C#C[C@H](CC)NC(=O)[C@@H](CC)Cc1ccccc1 491689969 AEUARJDUOJUMSD-LSDHHAIUSA-N 243.350 2.783 30 20 BFED C=C(C)CCNC(=O)N1CCC(F)(F)C[C@@H]1C 527978087 GQXYEFJNGAIYHI-JTQLQIEISA-N 246.301 2.782 30 20 BFED CCC(C#N)(CC)C(=O)NCC1CC(C)(C)C1 529124638 XFFIRBPFQAMGJS-UHFFFAOYSA-N 236.359 2.869 30 20 BFED C=CCSCCNCc1ccc2nc[nH]c2c1 542835165 JNSXLSRXQIAUBB-UHFFFAOYSA-N 247.367 2.572 30 20 BFED C=CC[C@@H](C)[C@@H](C)NC[C@H]1CCC[C@@H](CO)C1 557453255 XMUUIHPKMTZLFJ-APIJFGDWSA-N 239.403 2.975 30 20 BFED C=CCCCCN1CCCC[C@@H]1COC 567124444 XFFCMQPFYFYDHA-CYBMUJFWSA-N 211.349 2.844 30 20 BFED C=C(CC)CNC(=O)CO[C@H]1CCC[C@@H](C)C1 573328886 LYYZIIAREXIJDQ-OLZOCXBDSA-N 239.359 2.664 30 20 BFED C=CCCCCN[C@H](COC)c1ccco1 577697163 NOYKHDIBSWMNAI-GFCCVEGCSA-N 223.316 2.913 30 20 BFED CC(C)C(C)(C)NC(=O)c1cccc(C#N)c1 577874376 CTHYNXRNJMPFAW-UHFFFAOYSA-N 230.311 2.723 30 20 BFED CC[C@H]1CCC[C@@H]1CNC(=O)C1(C#N)CC(C)C1 583675406 KHFSIDIBXGUOBR-SBEAFCBVSA-N 248.370 2.869 30 20 BFED 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C=C(C)[C@H](CC(=O)N[C@]1(C)CC1(C)C)OCC 620077901 IDGLANBYFOHJIN-SMDDNHRTSA-N 239.359 2.663 30 20 BFED C=CCOCCCC(=O)N(CC=C)C(C)(C)C 622944506 VNOOEHQDXGWWHT-UHFFFAOYSA-N 239.359 2.782 30 20 BFED C=CCN(CCOC)Cc1c(C)cccc1OC 639101072 VMKSBSBUJCSEFP-UHFFFAOYSA-N 249.354 2.638 30 20 BFED C=CCCCCCn1cc([C@H](N)C(C)C)nn1 641044170 GVPZBMUNSISEOX-CYBMUJFWSA-N 236.363 2.680 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H]1CCOC1 644674847 PPAHZDLCXXFLBC-NWDGAFQWSA-N 239.359 2.520 30 20 BFED C=C(C)c1ccc2c(c1)C(C)(C)C(=O)N2 649444146 DWRKABDZDRHCPI-UHFFFAOYSA-N 201.269 2.949 30 20 BFED CCC#C[C@H](C)N1CCN(C)C2(CCCCC2)C1 653723140 MHMQNXSXGFEZTP-HNNXBMFYSA-N 248.414 2.739 30 20 BFED C=CCCOCC(=O)N[C@@H](CCC)C1CCC1 655452412 BRYIRMHXQWMVPP-ZDUSSCGKSA-N 239.359 2.664 30 20 BFED C=C(C)CNCc1ccc(O[C@H]2CCOC2)cc1 657464645 VDJSZQHQKQNKMQ-HNNXBMFYSA-N 247.338 2.520 30 20 BFED C=CCC1(NCC2CCOCC2)CCCC1 657702519 LDZHWZGRUCFBCM-UHFFFAOYSA-N 223.360 2.892 30 20 BFED C=C[C@H]1CCCCN1Cc1conc1CC 660430378 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C=CCCOC(=O)c1ccc(Cl)nc1C 751782039 NSLJOXBGSGIQHW-UHFFFAOYSA-N 225.675 2.776 30 20 BFED C#C[C@H](CC)NC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 753258735 JQGWTRDNKRDHIM-FDYHWXHSSA-N 236.359 2.522 30 20 BFED C=C(C)CNC(=S)N1CCC[C@H](CCC)C1 757539562 YBOKRGGEVLZXID-LBPRGKRZSA-N 240.416 2.949 30 20 BFED C[C@H](/N=C\c1ccccc1O)c1ccc[nH]1 760229053 NRXLXCRLPXEJKH-QNKACBJSSA-N 214.268 2.900 30 20 BFED C=C(C)COC(=O)C[C@@H](C)c1ccncc1 769063124 FBLDRDNYNIBNLB-LLVKDONJSA-N 219.284 2.695 30 20 BFED CC(=NNC[C@H](C)C#N)c1ccc2c(c1)CCC2 771103942 QJQHCBQGSCQANR-LLVKDONJSA-N 241.338 2.649 30 20 BFED C=C(CC)COC(=O)c1ccn(C(C)C)n1 773516015 PWXRBSNTPYZCNH-UHFFFAOYSA-N 222.288 2.587 30 20 BFED C[C@@H](C#N)OC(=O)c1ccc(F)c(Cl)c1F 773546768 NROVDDZPNAWNDA-YFKPBYRVSA-N 245.612 2.687 30 20 BFED CCOCCON=C1CCC(CC)CC1 774416671 JILHQGCBRIRRHE-UHFFFAOYSA-N 213.321 2.996 30 20 BFED C#C[C@@H](NC1CCC(C(C)C)CC1)[C@H]1CCCO1 775572667 CIOXUQRCUPAYHU-QDIHITRGSA-N 249.398 2.972 30 20 BFED C=C[C@@H](C)NC(=O)C(F)(F)c1ccc(C)cc1 779982804 GKINGCJBSPWCQI-SNVBAGLBSA-N 239.265 2.778 30 20 BFED CCCNN=CC1(CCOC)CCCCC1 780211092 BTOUEJWTVBRMRZ-UHFFFAOYSA-N 226.364 2.959 30 20 BFED N#Cc1nc(NC[C@@H]2CCC=CO2)ccc1Cl 780623512 WZYPKIMIUIVUMO-VIFPVBQESA-N 249.701 2.711 30 20 BFED C#CCCCN[C@@H](C)[C@H](OC)c1ccccc1 786828937 JXHOOQIACQVAMJ-ZFWWWQNUSA-N 231.339 2.766 30 20 BFED C[C@@H]1CC(=NOC[C@@H]2CCOC2)C[C@H](C)C1 788034669 UCPATJJZSVZBBX-GRYCIOLGSA-N 225.332 2.852 30 20 BFED COc1cccc(C=NOCc2ccccc2)n1 790153772 JSISYOUTDHEXAN-UHFFFAOYSA-N 242.278 2.641 30 20 BFED CC(=NNc1ncccc1C)c1cncc(F)c1 790187113 SGQQIXVOGDLJRA-UHFFFAOYSA-N 244.273 2.760 30 20 BFED COCC(CC(C)C)=NNc1ncccc1C 790192851 HKGOHFCLGHRDDG-UHFFFAOYSA-N 235.331 2.850 30 20 BFED Cc1cc(C)c(C=NNc2nccn2C)c(C)c1 790299881 JMKWXKQNOFDXET-UHFFFAOYSA-N 242.326 2.791 30 20 BFED C[C@@H]1CC(C)(C)CC1=NNc1nccn1C 790300420 YHGYBIFQYSYXKK-SECBINFHSA-N 220.320 2.644 30 20 BFED CC[C@H](C)CON=C(C)c1cc(C)nn1C 793146712 UVCMAHTWKAFOFP-VIFPVBQESA-N 223.320 2.515 30 20 BFED C#CC(C)(C)N(C)Cc1ncc(C(C)C)o1 794579239 VJUOFZJJSMAMMS-UHFFFAOYSA-N 220.316 2.642 30 20 BFED C[C@@H]1CSCC1=NN[C@H]1C[C@H]2CC[C@H]1C2 794921682 JRPVMADPERQAIJ-RCWTZXSCSA-N 224.373 2.504 30 20 BFED C=CCCC(=NNc1cncnc1)C1CC1 794973533 TVIOIPNRUUQNCB-UHFFFAOYSA-N 216.288 2.621 30 20 BFED C=CCCC(C)=NNc1ncccc1F 794985874 VMMRRWHGCBBHAR-UHFFFAOYSA-N 207.252 2.975 30 20 BFED CC(C)(C(=O)OCC1(CC#N)CC1)C(F)F 796731174 FDBSDEVCSUZMDS-UHFFFAOYSA-N 231.242 2.515 30 20 BFED C=CCCOC(=O)c1ccncc1C(F)(F)F 800237091 WXWVDDPLXVXCBR-UHFFFAOYSA-N 245.200 2.833 30 20 BFED CC[C@@H]1CCC1=NN[C@@H]1C[C@H]2CC[C@H]1C2 807979966 HUZVVCRXNUGYON-SRRSOLGSSA-N 206.333 2.941 30 20 BFED CC(C)n1cc(C=NOC/C=C/Cl)cn1 811670074 MXJZSMBMUKOXRY-YENCCAQISA-N 227.695 2.567 30 20 BFED N#Cc1ccc2c(c1)C(=O)/C(=C/c1cccnc1)C2 811695797 MFDUAXIRQCRDTL-MKMNVTDBSA-N 246.269 2.776 30 20 BFED C#CCON=Cc1cccc(C)c1OC(F)F 812233303 VIXWSPUNCPDHID-UHFFFAOYSA-N 239.221 2.580 30 20 BFED N#Cc1ccc(NN=C2COc3ccccc32)cc1 814803297 PBTSEMWPMXCEMU-UHFFFAOYSA-N 249.273 2.767 30 20 BFED Cc1cc2c(cc1C)C(=NOCC1CC1)CO2 814941215 QVNNWABUVMTVFE-UHFFFAOYSA-N 231.295 2.827 30 20 BFED COc1ccc2c(c1)C[C@H](C(C)C)CN2CC#N 817298860 QNYIVVOVNNLQEP-ZDUSSCGKSA-N 244.338 2.853 30 20 BFED CC(C[C@@H](C)CC(C)C)=NN[C@@H]1CCC[C@H]1O 817335606 KJZHPUZBKGWVPX-IACUBPJLSA-N 240.391 2.938 30 20 BFED C#CCCNC(=O)[C@H](CC)Cc1ccccc1C 819287790 ZICTZWMCZQSGRE-CQSZACIVSA-N 243.350 2.703 30 20 BFED C[C@@H](NN=C1CCCC1)c1ccncc1 819815465 RFJQNDNKCOCJNJ-SNVBAGLBSA-N 203.289 2.662 30 20 BFED CCC(CC)c1noc([C@@H](N)CCCC#N)n1 822797834 MEVKYSWJZHTYKG-JTQLQIEISA-N 236.319 2.667 30 20 BFED C#Cc1cnc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)nc1 827906433 WWYOUBJVICBYQF-NTZNESFSSA-N 229.327 2.695 30 20 BFED C=CCCCCN(CC1CCOCC1)OC 829521317 QFFKDGJAMOEZAZ-UHFFFAOYSA-N 227.348 2.633 30 20 BFED COc1cccc(C)c1C=NNCC(C)C 834968168 GGHZUQFSZWEKLF-UHFFFAOYSA-N 220.316 2.583 30 20 BFED CC(=NN[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1C[C@H]2CC[C@H]1O2 834969939 ZUSBEYKWMNNJKN-BBZRCZKMSA-N 248.370 2.708 30 20 BFED CCC(=NOC[C@H]1CCOC1)C1CCCC1 834972325 GFNUJRIPAOCUFS-NSHDSACASA-N 225.332 2.996 30 20 BFED CC[C@@H]1CCC1=NN[C@@H](C)C(F)(F)F 834997959 ODDQDJBSMGCRBE-NKWVEPMBSA-N 208.227 2.703 30 20 BFED COCc1cccc(C=NOC(C)C)c1 835000595 OGBIJXLXHPAHFI-UHFFFAOYSA-N 207.273 2.592 30 20 BFED C[C@@H]1CCC(=NNc2ccncn2)C[C@H]1C 835001029 JCIMHUXNAHLAKU-NXEZZACHSA-N 218.304 2.701 30 20 BFED C#Cc1cccc(CNC(=O)[C@H]2CC[C@H](C)C2)c1 837107450 NPYVLQREJZPVLW-WFASDCNBSA-N 241.334 2.720 30 20 BFED CCC/C=C\C(=O)NCc1ccc(C#N)c(F)c1 837109282 SQCSKMLYSKFUCW-PLNGDYQASA-N 246.285 2.670 30 20 BFED C=CCONC(=O)N[C@@H](C)CCC(C)(C)C 838707077 BHULVMLAQGMLFH-JTQLQIEISA-N 228.336 2.618 30 20 BFED C#CCCCCCOC(=O)[C@]1(C)CCCCO1 838853092 JIJIZZOSXXHYJT-AWEZNQCLSA-N 238.327 2.682 30 20 BFED C#Cc1cccc(NC(=S)N[C@H]2CC2(C)C)c1 840854302 BGKIVCAAMJKJOU-LBPRGKRZSA-N 244.363 2.753 30 20 BFED C=C[C@](C)(CC)COC(=O)C1SCCS1 842343828 UOFWZLUPFVFEKL-LLVKDONJSA-N 246.397 2.938 30 20 BFED C[C@@H](CO)N(C)N=Cc1csc2ccccc12 842544245 RNYQMBCTRYORHC-JTQLQIEISA-N 248.351 2.548 30 20 BFED C#C[C@H](C)N(C)C(=O)[C@H](C)c1ccc(Cl)cc1 844498106 AFJAVOXNOKCSLW-WDEREUQCSA-N 249.741 2.924 30 20 BFED C=C[C@@H](C)ON=Cc1ccc(COC)cc1 844621088 DGBCENCMSBIESR-LLVKDONJSA-N 219.284 2.758 30 20 BFED C=C[C@H](C)ON=C1CCOc2ccc(F)cc21 844625655 SMMWDWAIDJCWGX-VIFPVBQESA-N 235.258 2.903 30 20 BFED Fc1ccc(NN=C[C@@H]2CC2(Cl)Cl)nc1 853304981 JWRVAEMJVCXUEK-LURJTMIESA-N 248.088 2.812 30 20 BFED CO[C@@H](C=NOCC(F)(F)F)C1CCCC1 853321356 MCFROMICFNGDKV-VIFPVBQESA-N 239.237 2.756 30 20 BFED C[C@@H](O)CN(C)N=C1CCC(=C2CCC2)CC1 853358031 RVJVZKFEVBOVSU-LLVKDONJSA-N 236.359 2.710 30 20 BFED C#CCCCOc1cccc2cnoc12 853702286 SRABILDFPOOMEN-UHFFFAOYSA-N 201.225 2.620 30 20 BFED C[C@@H](C#N)N(C(=O)C=C(C1CC1)C1CC1)C1CC1 855583532 CTJULZUSKLVNIZ-JTQLQIEISA-N 244.338 2.636 30 20 BFED C=CCCONC(=O)c1cc(C)cc(C)c1 856028044 KUQSLWHLWMPMHT-UHFFFAOYSA-N 219.284 2.541 30 20 BFED C#CCCOC(=O)N1Cc2ccccc2[C@@H](C)C1 858881256 RWABTQAYEOFQPC-LBPRGKRZSA-N 243.306 2.766 30 20 BFED C=C(C)CONC(=O)c1ccc(CCC)s1 869152678 GPSNSHSNDCNJFU-UHFFFAOYSA-N 239.340 2.938 30 20 BFED C#CCCCCCCNC[C@@H]1CC[C@@H](C)O1 877578924 QWWUFPXGBDOWLG-KGLIPLIRSA-N 223.360 2.727 30 20 BFED COc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1C#N 877769399 AOBRJCSWNFWNIT-ZYHUDNBSSA-N 241.294 2.671 30 20 BFED CCSc1ccc(CNC(=O)[C@@H](C)C#N)cc1 881488693 RQDDADMLJCUPCJ-JTQLQIEISA-N 248.351 2.574 30 20 BFED CCN(Cc1ccc(SC)o1)C[C@@H](C)C#N 893995456 QSDFHHDWERRJMK-JTQLQIEISA-N 238.356 2.983 30 20 BFED C#Cc1ccc(C(=O)N(C)[C@@H](C)C(C)C)cc1 895702457 OEBJNHVNXFCTKJ-LBPRGKRZSA-N 229.323 2.784 30 20 BFED C#CCSCc1nc(C(CC)CC)no1 896083123 XGJDRAXJDZPECG-UHFFFAOYSA-N 224.329 2.840 30 20 BFED C#Cc1ccc(C(=O)N2CCC[C@H]2C2CC2)cc1 896149622 QGPZVKAQRXIEQD-HNNXBMFYSA-N 239.318 2.683 30 20 BFED C=C1CCC(c2nc(C3(COC)CC3)no2)CC1 897056625 ZEJBCYKEBNXMKJ-UHFFFAOYSA-N 248.326 2.961 30 20 BFED C[C@H]1CCC(=NN[C@@H]2CCCC[C@H]2O)C[C@H]1C 901339833 ZMKRCTJIOBEIRZ-OIMNJJJWSA-N 238.375 2.692 30 20 BFED N#CC1(CCCCOC(=O)C2CC2)CCC1 908703172 YHHKZPUJEUUPFV-UHFFFAOYSA-N 221.300 2.804 30 20 BFED C=CCC(C)(C)C(=O)NCCCCCC(C)=O 909108255 SVMGFSPVDFMHLA-UHFFFAOYSA-N 239.359 2.854 30 20 BFED C=C(C)COC(=O)CCSC(F)(F)F 915247780 GUXRGHYXALNLGE-UHFFFAOYSA-N 228.235 2.749 30 20 BFED N#CCCCCOC(=O)C=C(C1CC1)C1CC1 919554777 OIXSQXYLVBTTTI-UHFFFAOYSA-N 233.311 2.970 30 20 BFED C#CCN(C(=O)N[C@H]1CCCC1(C)C)C(C)C 921351107 AKAXZFMRYUJDSU-LBPRGKRZSA-N 236.359 2.618 30 20 BFED C[C@H](CC(C)(C)C#N)N[C@@H]1CCCc2c[nH]nc21 925551440 RWMWSDRUOUHVLO-ZYHUDNBSSA-N 246.358 2.705 30 20 BFED C[C@@H](CC(C)(C)C#N)Nc1ccc2nn[nH]c2c1 925921758 ZUIADJBSXOZSRE-VIFPVBQESA-N 243.314 2.698 30 20 BFED CCc1onc(C)c1CN(CC)C[C@@H](C)C#N 929429392 LXVLQNKFAVVRKV-JTQLQIEISA-N 235.331 2.527 30 20 BFED C=CCN[C@@H](C)COCC1CCCCC1 932424513 BXMOTYMENHDBJG-LBPRGKRZSA-N 211.349 2.747 30 20 BFED C=CCCCN[C@@H](CC(=O)OC)C(C)(C)C 934031259 JVMZCXAXYOBBBU-NSHDSACASA-N 227.348 2.520 30 20 BFED C=C[C@@H](CC)CC(=O)N1CCC(C)(C#N)CC1 935295159 IFDVGKDNODWQON-LBPRGKRZSA-N 234.343 2.741 30 20 BFED C#CCN(CC1CC1)C(=O)c1occc1C(C)C 1117066532 NEHDFYLIAWXJEO-UHFFFAOYSA-N 245.322 2.888 30 20 BFED C=C(CC)C(=O)NCc1ccc([C@H]2C[C@H]2C)o1 1123500830 GHHRPGTXVDFHAJ-PWSUYJOCSA-N 233.311 2.985 30 20 BFED C=C(CC)COC(=O)c1ccc2cncn2c1C 1323877722 ONRVGEDADNEVNA-UHFFFAOYSA-N 244.294 2.766 30 20 BFED C=C[C@@H](COC)Nc1ncnc2sc(C)cc12 1324015299 GHIPBWFJAVLIMJ-VIFPVBQESA-N 249.339 2.613 30 20 BFED C#C[C@H](C)N(C)c1nc2cccc(C)c2o1 1325181565 MYYVUKFWFWZGIC-JTQLQIEISA-N 214.268 2.594 30 20 BFED CC[C@H](C)c1nnc(CC(C)(C)C#N)o1 1326985881 FVHTZMYLJTYVLE-QMMMGPOBSA-N 207.277 2.675 30 20 BFED C=C[C@H](COC)NC(=O)[C@@](C)(CC)CCC 1344391019 BRJWZDGSQWAEIK-YPMHNXCESA-N 227.348 2.520 30 20 BFED C=C(CC)COC(=O)c1snnc1C(C)C 1346195494 ZAECHRBZQORYFT-UHFFFAOYSA-N 240.328 2.785 30 20 BFED C=CCC[C@H]1CCCN1C(=O)[C@H](F)CC 1347523509 YXPXQIKCXPOUIZ-WDEREUQCSA-N 213.296 2.692 30 20 BFED C=CC[C@@H](CC)NC(=O)c1ccnn1[C@@H](C)CC 1348417028 LBRSUHBDHKGPKA-NWDGAFQWSA-N 249.358 2.939 30 20 BFED C=C(CC)C(=O)N1CCc2ccccc21 1350794864 ULSWEHHSYBHTTL-UHFFFAOYSA-N 201.269 2.542 30 20 BFED Cc1sc(=O)n(CC#N)c1-c1ccc(F)cc1 1459220209 UPPVBPWAAMKWCO-UHFFFAOYSA-N 248.282 2.548 30 20 BFED C=C(CC)C(=O)N1CCC[C@H]1c1c(C)n[nH]c1C 1521288097 ZYIPOFALFYVVIY-LBPRGKRZSA-N 247.342 2.656 30 20 BFED C=C[C@H](CC)OC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 1524761446 JOYDHTCLCHEAKY-MJDLHHQISA-N 226.316 2.554 30 20 BFED C=C(CC(C)C)C(=O)N1CC[C@@H](SC)C1 1528468923 BTRRASQMZKQEJR-LLVKDONJSA-N 227.373 2.553 30 20 BFED C=CC[C@@H](C(=O)O)N(C)Cc1c(C)cccc1C 1573350214 GFYQZJJTEBAZEE-AWEZNQCLSA-N 247.338 2.765 30 20 BFED C=C(Cl)CS[C@@H](C)c1nc(C(=O)O)co1 1588643526 JYJOKHGXBZIDCF-LURJTMIESA-N 247.703 2.920 30 20 BFED C[C@H]1C[C@H]1C=NNc1ccc(F)c(C(=O)O)c1 1594278135 LUTUCLQZFRGQIH-YUMQZZPRSA-N 236.246 2.578 30 20 BFED Cc1ccc(C[C@H](S[C@@H](C)C#N)C(=O)O)cc1 1610500141 WYXFDNVVKAZWST-JQWIXIFHSA-N 249.335 2.636 30 20 BFED CCc1ncc(COc2ccc(C#N)cc2)o1 1656051505 LEBJLEORPNMING-UHFFFAOYSA-N 228.251 2.688 30 20 BFED C=CCN(CC=C)C(=O)c1ccc(Cl)nc1 19472903 LDJHVOUJXCCNRD-UHFFFAOYSA-N 236.702 2.549 30 20 BFED Cc1ccsc1CNC(=O)C1(C#N)CCCC1 26000002 FOWASGYODSXAAK-UHFFFAOYSA-N 248.351 2.757 30 20 BFED C[C@@H](C1CC1)N(C)Cc1cc(C#N)ccc1F 35207529 ALKDBTJIELHOFN-JTQLQIEISA-N 232.302 2.928 30 20 BFED CCCCN(C)C(=O)Nc1cccc(C#N)c1 43330060 NGCBJBYRVMPULA-UHFFFAOYSA-N 231.299 2.822 30 20 BFED CC(C)(C#N)C(=O)N1CC[C@H]2CCCC[C@@H]2C1 44426504 DVJHOVCLKRHZMT-VXGBXAGGSA-N 234.343 2.575 30 20 BFED C=CCOc1cccc(NC(=O)NCC2CC2)c1 48955449 QGDSOXGFJKGKER-UHFFFAOYSA-N 246.310 2.783 30 20 BFED CC(C)N(C)CCN[C@H](C)c1ccc(C#N)cc1 54110856 ORDGWPPXELSHEJ-CYBMUJFWSA-N 245.370 2.549 30 20 BFED C=CCNc1ccc(Cl)cc1[N+](=O)[O-] 54613980 VJMGHZUKOTZNOI-UHFFFAOYSA-N 212.636 2.846 30 20 BFED C=C(C)COc1cccc(NC(C)=O)c1 58816429 UHDQARSCXZPBDX-UHFFFAOYSA-N 205.257 2.600 30 20 BFED N#Cc1cc(Oc2cccc(F)c2C#N)ccn1 61815410 DLFVOXWMNPBDLL-UHFFFAOYSA-N 239.209 2.756 30 20 BFED C=C(Cl)COc1ccc([N+](=O)[O-])c(F)c1 67015483 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C=CC[C@@H](C)NC(=O)CCc1cccs1 172322023 MCXJJDVVDRFFFM-SNVBAGLBSA-N 223.341 2.762 30 20 BFED CCN(C(=O)[C@@H]1C[C@H]1C)c1ccc(C#N)cc1 174077777 UXCVOWSWBFQOQV-ZWNOBZJWSA-N 228.295 2.567 30 20 BFED C=CC[C@@H](C)NC(=O)[C@H](C)c1ccccc1 183051248 GORMITSNARHOFV-VXGBXAGGSA-N 217.312 2.871 30 20 BFED C[C@@H](CNCc1ccc(C#N)o1)c1nccs1 184293904 KEJLACKVQRJINW-VIFPVBQESA-N 247.323 2.501 30 20 BFED N#C[C@@H]1CCC[C@H](NCCOC2CCCC2)C1 185800651 XZSXOJMVDIPTNI-OLZOCXBDSA-N 236.359 2.618 30 20 BFED C=CCC1(C(=O)NCCCCOCC)CCC1 188996604 KGXNLGZIDIKXCA-UHFFFAOYSA-N 239.359 2.666 30 20 BFED CCN(CC(C)(C)O)[C@@H](C)c1cccc(C#N)c1 189890706 MFZHSMLFBRRGGC-LBPRGKRZSA-N 246.354 2.712 30 20 BFED C[C@H]1CCC[C@@H](N(C)Cc2cc(C#N)n(C)c2)C1 191226151 OMMRBIIPLQWLQJ-GXTWGEPZSA-N 245.370 2.907 30 20 BFED C=CCCOCCNc1cccc(Cl)n1 194156329 WGGITVWKDMUHET-UHFFFAOYSA-N 226.707 2.740 30 20 BFED CC1(C#N)CCN(C(=O)c2cccs2)CC1 227519409 RKJACFLQFZTRMN-UHFFFAOYSA-N 234.324 2.514 30 20 BFED C=C(Cl)CNC(=O)[C@@H]1CCCC1(C)C 228852463 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20 BFED C=CCCN(C)Cc1nc(-c2ccsc2)no1 276525554 ZGLSGPUDXCYICT-UHFFFAOYSA-N 249.339 2.806 30 20 BFED Cc1oc(C#N)cc1C(=O)N[C@@H]1CCC[C@@H](C)C1 280559927 KFKYRDDGVIHIRC-MWLCHTKSSA-N 246.310 2.768 30 20 BFED C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1C 281381272 OJBKINLNUKUHPP-QWRGUYRKSA-N 210.321 2.535 30 20 BFED C=CC[C@@H](CC)NC(=O)NCc1ncccc1C 281809108 JCUWZMGFBXFIES-GFCCVEGCSA-N 247.342 2.544 30 20 BFED C#CC(C)(C)N(C)CCc1ccc2c(c1)CCO2 286086008 KHDKCSYKDZRAEZ-UHFFFAOYSA-N 243.350 2.508 30 20 BFED C#CCC(C)(C)c1nc(-c2ccoc2)no1 289163782 UWCBUDLCILLGIS-UHFFFAOYSA-N 216.240 2.631 30 20 BFED C=CC[C@@H](CC)NC(=O)c1ccn(C)c1CC 290888867 MUMARTWLTDQYIP-LLVKDONJSA-N 234.343 2.672 30 20 BFED C=CCC[C@H](NC[C@@H](O)CC)c1ccco1 293857186 XQDDNXMFFQCWIB-RYUDHWBXSA-N 223.316 2.647 30 20 BFED CC#CCN(C)C(=O)c1c(C)cc(C)cc1C 294721564 YRNYDMMSOWZUFU-UHFFFAOYSA-N 229.323 2.707 30 20 BFED C#CCO[C@H](C)c1nc([C@H](C)SCC)no1 296807783 LRIFMMLXYHVLIA-BDAKNGLRSA-N 240.328 2.595 30 20 BFED Cc1nsc(Oc2ccc(C#N)cc2C)n1 301956797 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CN(CC(C)(C)C#N)C(=O)[C@H]1CC12CCCC2 334194182 IUMMTIBUCYLUGU-LLVKDONJSA-N 234.343 2.575 30 20 BFED C[C@H]1CCC(=O)[C@@H](Sc2ccc(C#N)cn2)C1 334620342 PJIWTFKLGROOGI-CABZTGNLSA-N 246.335 2.803 30 20 BFED Cc1nn(CC2CCCCC2)cc1C#N 334863729 SGIHDLKACWRPES-UHFFFAOYSA-N 203.289 2.644 30 20 BFED C[C@@H]1CCCC[C@@H]1C(=O)NC1(C#N)CCCC1 335119310 ZEPXUEVTXLMYHX-NEPJUHHUSA-N 234.343 2.765 30 20 BFED C[C@H]1C[C@]1(C#N)C(=O)Nc1cccc(Cl)c1 335445121 QKUJTIWLRAPPLZ-QPUJVOFHSA-N 234.686 2.828 30 20 BFED N#Cc1ccn(C[C@H]2CCCC2(F)F)c1 335599580 UGUCFBIDGZSAIX-SNVBAGLBSA-N 210.227 2.795 30 20 BFED N#C[C@@H]1CC[C@H](NC2CC(C(F)(F)F)C2)C1 335622098 WSGVBIXSUZIVPC-RJQCTPFPSA-N 232.249 2.609 30 20 BFED Cc1oc(C#N)cc1C(=O)N[C@H]1CCCC[C@@H]1C 336155756 MTAOEXULQXSWHZ-ZANVPECISA-N 246.310 2.768 30 20 BFED CC1(C)CC[C@@H](C(=O)N2CCC(CC#N)CC2)C1 336479278 MJVILCBWMORPIR-CYBMUJFWSA-N 248.370 2.965 30 20 BFED CC1(CCN[C@H]2CCC[C@@H](C#N)C2)CC1 336763315 PAEWOMUZIXJXLQ-NEPJUHHUSA-N 206.333 2.849 30 20 BFED C=CCCC(=O)NCc1sccc1C 338607510 RFXHPWHFTXLUCZ-UHFFFAOYSA-N 209.314 2.639 30 20 BFED CC#CCN(C)CCO[C@H]1CCCC[C@@H]1C 339755285 FLRCOGXUOLUNPC-KBPBESRZSA-N 223.360 2.537 30 20 BFED CC#CCN(C)C(=O)CCSc1ccccc1 341094346 VBISSAWMVPNHGU-UHFFFAOYSA-N 247.363 2.651 30 20 BFED Cc1cccc(OCCN(C)CC2(C#N)CC2)c1 343144656 SURIZURSMDAZDL-UHFFFAOYSA-N 244.338 2.609 30 20 BFED C=CCCCCCN1CC[S@@](=O)CC1(C)C 348231263 YYSPXPWJJZTVRJ-MRXNPFEDSA-N 243.416 2.576 30 20 BFED C[C@H]1C[C@@]1(C#N)c1nc(CC2=CCCC2)no1 351062943 KSFIRCXQIHPTON-ZANVPECISA-N 229.283 2.524 30 20 BFED C=CC(C)(C)c1nc(Cc2csc(C)n2)no1 351064591 AACVJXARRCLROP-UHFFFAOYSA-N 249.339 2.889 30 20 BFED C[C@H]1CCC[C@@H](CNC(=O)CC(C)(C)C#N)C1 352040961 UGMZOFJDCVSKRB-NWDGAFQWSA-N 236.359 2.869 30 20 BFED C=CCCO[C@@H](C)C(=O)N[C@@H]1CCC(C)(C)C1 352131478 RPIJDFIKPRIVMA-NWDGAFQWSA-N 239.359 2.663 30 20 BFED C=CCC(C)(C)CNC(=O)[C@H](C)[C@@H](C)COC 352511906 UJBHPEJFHIJLFE-NWDGAFQWSA-N 241.375 2.624 30 20 BFED C=C[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1CC 356385076 GSAXKTKPSCKFFE-SRVKXCTJSA-N 209.333 2.894 30 20 BFED C=CCCC1(C(=O)N(C)[C@H]2CC2(C)C)CC1 357111616 UTIXXXXYQRTQTA-NSHDSACASA-N 221.344 2.990 30 20 BFED CC[C@H]1CC[C@@H](C)N1C(=O)NCCCCC#N 357590731 SANLJSANNRFWDT-NEPJUHHUSA-N 237.347 2.653 30 20 BFED C=CCN(CCC#N)C(=O)[C@@H]1CCC[C@@H](C)C1 359383258 QZIPSBQJZATZQT-CHWSQXEVSA-N 234.343 2.741 30 20 BFED C=CCCC[C@H](C)NC(=O)[C@](C)(OC)C1CC1 360784439 WTYKNCRLJFYMCY-SMDDNHRTSA-N 239.359 2.663 30 20 BFED C=C[C@H](C)NC(=O)C[C@H]1CCC[C@H](C)C1 362588078 OFZBHCHVMHZLRU-SRVKXCTJSA-N 209.333 2.894 30 20 BFED C=C[C@@H](C)NC(=O)c1sccc1OC(F)F 362600709 MPTXGBBLOXJOMP-ZCFIWIBFSA-N 247.266 2.654 30 20 BFED N#CCCCCN[C@H]1CCCC12CCOCC2 370316738 SXLDIJSGRSMQLI-ZDUSSCGKSA-N 236.359 2.619 30 20 BFED CC[C@@H](NCCO[C@@H](C)C#N)c1ccccc1 382507610 WBQKCLYBPRJFIL-GXTWGEPZSA-N 232.327 2.656 30 20 BFED CC#CCCNC[C@H]1C(C)=CCC[C@@H]1C 389966225 XRJLLJFZDVFBPD-KBPBESRZSA-N 205.345 2.982 30 20 BFED C=CC[C@H](CC)NCc1cc(C(=O)O)cs1 393811370 WCTSXVVOLLJZLC-JTQLQIEISA-N 239.340 2.891 30 20 BFED CCC1CCC(N(C)c2cncc(C#N)n2)CC1 401322123 KBIZEBRUJXOPSW-UHFFFAOYSA-N 244.342 2.753 30 20 BFED C=CCCCCNC(=O)N[C@H]1CS[C@@H](C)C1 413461363 USEIRTXGJQYTKQ-WDEREUQCSA-N 242.388 2.536 30 20 BFED N#Cc1cc2c(nc1NC[C@@H]1CC13CC3)CCC2 419001452 YQRGRGNJZSZYQB-LBPRGKRZSA-N 239.322 2.654 30 20 BFED CC1(C)CCCN(C(=O)[C@]23CCC[C@H]2C3)[C@@H]1C#N 421560848 PQJYHHWWCCTTRA-ZOWXZIJZSA-N 246.354 2.717 30 20 BFED CC[C@H](C)CN(C)c1c(C#N)cccc1[N+](=O)[O-] 425224415 JKBODFRLOVUYHZ-JTQLQIEISA-N 247.298 2.949 30 20 BFED CC[C@H](F)CSc1nnc(C)c(C)c1C#N 440580332 WKWYYEHULUPYMA-VIFPVBQESA-N 239.319 2.805 30 20 BFED C=CCCCN=c1[nH]cnc2cc(F)c(F)cc12 447807836 RQRBALWDFQNCSQ-UHFFFAOYSA-N 249.264 2.708 30 20 BFED CC1=CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 450407618 SOKSEZMERGKNCG-UHFFFAOYSA-N 243.266 2.623 30 20 BFED C[C@@H]1[C@@H](CNc2nccc(C#N)n2)CCC[C@H]1C 450505367 YMTWNIAIUUCICW-GRYCIOLGSA-N 244.342 2.832 30 20 BFED C=C(C)CCNC(=O)N[C@H]1CCCC[C@H]1C 454171228 NOTKCZSPYCOLEW-NEPJUHHUSA-N 224.348 2.831 30 20 BFED C=C(C)CCNC(=O)NCC1(C(C)C)CC1 454607360 IWHQXAGNHVZBTH-UHFFFAOYSA-N 224.348 2.688 30 20 BFED C=CCN(C(=O)NC[C@@H]1C[C@H]1C(C)C)C1CC1 459059392 JGAUIOFOEBXWED-AAEUAGOBSA-N 236.359 2.639 30 20 BFED CC#CCCCC(=O)N1C[C@H](C)C[C@H]1CC 466642581 NOWHIHQNZAAAAE-CHWSQXEVSA-N 221.344 2.827 30 20 BFED C=C(C)CN(C)C(=O)CC[C@H](C)SC 479346715 PQVKKPWBDULYSS-JTQLQIEISA-N 215.362 2.553 30 20 BFED C#C[C@@H](C)N(C)C(=O)[C@@H](F)CC1CCCCC1 490712054 CUNSTICYSOQXAV-YPMHNXCESA-N 239.334 2.775 30 20 BFED C#C[C@@H](NC1CCC(COC)CC1)C(C)(C)C 491670639 ZKLJJQCYBQZRJR-JXQTWKCFSA-N 237.387 2.829 30 20 BFED C=CCN(C(=O)/C=C\OCC)c1ccccc1 493392011 AONDMIVYUFVSQK-BENRWUELSA-N 231.295 2.756 30 20 BFED CC#CCCNC(=O)Nc1cc(C)ccc1C 497659816 LQXRCXMFJJVYOC-UHFFFAOYSA-N 230.311 2.838 30 20 BFED Cc1cccc(F)c1NC(=O)NCC1(C#N)CC1 562407397 VVTCOIBPHDCFET-UHFFFAOYSA-N 247.273 2.559 30 20 BFED CC(C)(CC#N)CNCc1ccc(F)cc1F 565407961 TUTOLJDZGSMITH-UHFFFAOYSA-N 238.281 2.994 30 20 BFED Cc1csc(NC(=O)NCC(C)C)c1C#N 567132639 YQJWKRYCBHHKER-UHFFFAOYSA-N 237.328 2.706 30 20 BFED C=C[C@@H]1OCCC[C@H]1N[C@@H]1CC=C(C)CC1 571153290 DZVOFDLTOAIEOV-MCIONIFRSA-N 221.344 2.808 30 20 BFED CCSc1ccccc1C(=O)N(C)[C@H](C)C#N 576005021 AYQQXZXYRVMUFO-SNVBAGLBSA-N 248.351 2.783 30 20 BFED C=C(C)CN1[C@H](C(=O)O)CC[C@H]1c1ccccc1 577389869 XGDFXJSFXWEEPZ-KBPBESRZSA-N 245.322 2.853 30 20 BFED CC(C)C1CN(C(=O)CCCCCC#N)C1 588655055 SZQILRBYCDOZIA-UHFFFAOYSA-N 222.332 2.575 30 20 BFED Cc1nc(N2CCC[C@@H]3C[C@H]32)c(Cl)cc1C#N 589692869 XSJRKIAWNKGTOB-BXKDBHETSA-N 247.729 2.904 30 20 BFED CC[C@H](C#N)N(C)C(=O)c1cc(F)ccc1C 594093198 MIVLTEXOCJTPBM-LLVKDONJSA-N 234.274 2.508 30 20 BFED C[C@H](Cc1ccccn1)N[C@H]1CCC[C@@H](C#N)C1 594513056 AQQCJXNEUDMXDV-NFAWXSAZSA-N 243.354 2.685 30 20 BFED COc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1C 595106677 TTYLQGGTPLQGOJ-OCCSQVGLSA-N 244.338 2.786 30 20 BFED CC[C@@H](C)N(C)c1nc(C#N)c(Cl)s1 596162426 NZBAWJFBQWMYON-ZCFIWIBFSA-N 229.736 2.903 30 20 BFED CC[C@@H](C#N)C(=O)N1CC[C@@H]1c1ccc(F)cc1 598101888 SXIOMEJRKVTGBU-GXFFZTMASA-N 246.285 2.649 30 20 BFED Cc1cocc1C(=O)N[C@](C)(C#N)CC(C)C 599234397 BLYVAEAQMFPQHH-ZDUSSCGKSA-N 234.299 2.646 30 20 BFED CN(CC#N)C[C@H]1CCCO[C@H]1c1ccccc1 604521482 LTKCOEVAWJJDFS-CABCVRRESA-N 244.338 2.610 30 20 BFED Cc1cc(C(=O)NCCCCC#N)c(C)s1 609141979 DFWZFOWBLIPTCV-UHFFFAOYSA-N 236.340 2.789 30 20 BFED N#CC1(CN2Cc3ccccc3C(F)(F)C2)CC1 611431181 XVTHFOSCDUBGNL-UHFFFAOYSA-N 248.276 2.898 30 20 BFED C[C@H](c1ccc(F)cc1)N1CC[C@](F)(C#N)C1 615639806 NIXGLEFTLBFMBN-MFKMUULPSA-N 236.265 2.824 30 20 BFED C=CC[C@@H]1CCCN(C(=O)CCCF)C1 617778319 CYTVVYPTBHRIPP-LLVKDONJSA-N 213.296 2.551 30 20 BFED C=CCCOCC(=O)Nc1c(C)cc(C)nc1C 620327207 DAQHJUKYHHJIPR-UHFFFAOYSA-N 248.326 2.538 30 20 BFED C=CCCC(C)(C)NC(=O)CC(C)(C)OC 620857097 NFKMPUYCDSOASI-UHFFFAOYSA-N 227.348 2.663 30 20 BFED C=CCC[C@@H](NCCCNCC)c1ccco1 643499034 NPBGMLJTFXQAHS-CYBMUJFWSA-N 236.359 2.876 30 20 BFED C=CCCC(C)(C)NCc1c[nH]nc1C 657805895 WJUTXSGSVBAGMT-UHFFFAOYSA-N 207.321 2.553 30 20 BFED C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)CCCO 657904642 LHRJUVKQFMWWNM-MCIONIFRSA-N 225.376 2.872 30 20 BFED C=CC[C@H]1CCCN(C[C@@H]2CCCOC2)C1 661380999 SSDJOZFOXWCPGP-KBPBESRZSA-N 223.360 2.701 30 20 BFED C=CC[C@@H]1CCCN(C(=O)Nc2cccnc2)C1 664333505 PSRFLHYCAKKHLN-GFCCVEGCSA-N 245.326 2.902 30 20 BFED C=CCCNC(=O)NC1(CC=C)CCCC1 665941361 XIDJSZHQNPJESL-UHFFFAOYSA-N 222.332 2.751 30 20 BFED C=C(C)Cn1c(C(F)(F)F)csc1=O 674243830 KYDSLHALECIDJD-UHFFFAOYSA-N 223.219 2.505 30 20 BFED C=C(C)COCCNC(=O)C(CC)(CC)CC 675577208 GWHMQAGUQMYFCX-UHFFFAOYSA-N 241.375 2.912 30 20 BFED CC#CCNC(=O)C1(c2cccc(C)c2)CCC1 677812889 BUZGOQVILXNWLT-UHFFFAOYSA-N 241.334 2.556 30 20 BFED C=C1CCN(Cc2n[nH]c3ccccc23)CC1 678241216 CJIIFWGGVXZEPY-UHFFFAOYSA-N 227.311 2.715 30 20 BFED C=C(C)CN(C)C(=O)C[C@H](C)c1ccncc1 679206558 YPPBAOFNFBEJNX-LBPRGKRZSA-N 232.327 2.610 30 20 BFED CCCCCCC(=O)NC1(C#N)CCC1 711373638 TZUDEGHAAHNTMY-UHFFFAOYSA-N 208.305 2.519 30 20 BFED N#Cc1ccc(NC[C@H]2C=CCC2)cc1[N+](=O)[O-] 711729543 FKVWZNLYXGRERF-JTQLQIEISA-N 243.266 2.845 30 20 BFED Cc1nc(CNCCCCC#N)sc1C 719576979 RSNVAJQBXIMFBV-UHFFFAOYSA-N 223.345 2.543 30 20 BFED C=C(C)CNCc1ccc2c(c1)C[C@H](C)O2 720778524 JDVIBAKTFHAECB-NSHDSACASA-N 217.312 2.676 30 20 BFED C#Cc1cccc(N(C)Cc2cscn2)c1 728686211 NEJIRZSAUQPOLX-UHFFFAOYSA-N 228.320 2.761 30 20 BFED C=CC[C@@H](NC(=O)N[C@H](C)CC)c1ccncc1 734652592 NWBYQHFXCFHXKG-DGCLKSJQSA-N 247.342 2.797 30 20 BFED Cc1cc(C)c(C=NNc2cccnn2)c(C)c1 735977073 SKZCEWPIHKGYLC-UHFFFAOYSA-N 240.310 2.848 30 20 BFED C=C(Cl)COC(=O)[C@@H](C)N1[C@@H](C)CC[C@H]1C 741021308 DBBSYWQKIVWBTG-OUAUKWLOSA-N 245.750 2.543 30 20 BFED CC(C)C[C@@](C)(C#N)NC(=O)C[C@H](C)C1CC1 749614802 FXKUXNJXSOOODR-FZMZJTMJSA-N 236.359 2.867 30 20 BFED CCCCCCCN1CC[C@](F)(C(=O)OC)C1 752085519 WURIZZNFAMNWEI-CYBMUJFWSA-N 245.338 2.544 30 20 BFED C=CCN(C(=O)c1cc(C#N)cs1)C(C)C 752290380 JGHABHJOLLAEKL-UHFFFAOYSA-N 234.324 2.656 30 20 BFED C=CCONC(=O)Cc1ccc2ccccc2c1 754778042 CGRGCTFEFITTIU-UHFFFAOYSA-N 241.290 2.616 30 20 BFED COc1cccc(C(C)=NO[C@H]2CCCCO2)c1 755821971 JHSYSVPQIZRNOX-AWEZNQCLSA-N 249.310 2.962 30 20 BFED Cc1cc(C=NNC2CC2)ccc1Cl 758127100 KXYGUSOVCZDMBM-UHFFFAOYSA-N 208.692 2.734 30 20 BFED CC(F)(F)CC(=O)OCc1cccc(C#N)c1 758734080 JVWGSMMCJYTBRR-UHFFFAOYSA-N 239.221 2.647 30 20 BFED CC1(CC(=O)OCc2cccc(C#N)c2F)CC1 758813198 FJRFXIBRBOIKOF-UHFFFAOYSA-N 247.269 2.931 30 20 BFED C#CC[C@@H](N[C@H](COC)C1CC1)c1ccccc1 773105147 GZHGUKHHKNGHNV-HZPDHXFCSA-N 243.350 2.766 30 20 BFED C[C@H](Cc1ccco1)N[C@@H]1CCC[C@@H](C#N)C1 774116559 NUGACHJTZZIXLS-JHJVBQTASA-N 232.327 2.883 30 20 BFED C=C(C)CNC(=S)N1CCCC[C@@H](C)C1 774227963 NJXGVPGCNXWPPK-LLVKDONJSA-N 226.389 2.559 30 20 BFED COCCCC(C)=NN[C@@H]1C[C@H]2CC[C@H]1C2 774598539 ZOESRXPZHNHPHY-RWMBFGLXSA-N 224.348 2.567 30 20 BFED CC(C)CN(CCC#N)C[C@H]1CCC=CO1 774821589 YCAQQMSTFPKNPC-CYBMUJFWSA-N 222.332 2.551 30 20 BFED COC[C@H](C)NN=C1CC(C)(C)c2ccccc21 777900470 AMKDPCLAXNZUBC-NSHDSACASA-N 246.354 2.697 30 20 BFED CC(=NN=c1cc[nH]cc1)c1cc(F)cc(F)c1 779811106 DPFYLIQYFNHMFH-UHFFFAOYSA-N 247.248 2.618 30 20 BFED C#CCCCCCC(=O)N(CCC)C1CC1 779915071 DSMWITNFDXDXGQ-UHFFFAOYSA-N 221.344 2.971 30 20 BFED CCCCCCCC(=O)N1CC(OC(F)F)C1 781210924 RKNFIBMDACSXMG-UHFFFAOYSA-N 249.301 2.797 30 20 BFED O=C1c2ccccc2CN1N=Cc1ccsc1 781598116 VCYXEOZIZYQQJQ-UHFFFAOYSA-N 242.303 2.738 30 20 BFED Cn1c(NN=CC2(C)CC2)nc2ccccc21 782203575 RFDWHQIHAXJRLU-UHFFFAOYSA-N 228.299 2.771 30 20 BFED C=C(C)CNC(=S)NCC(C)(C)C(C)C 782216193 KKBNNXOPHOQJAJ-UHFFFAOYSA-N 228.405 2.709 30 20 BFED CC1(C)CCC[C@H]1NN=Cc1ccc(O)c(O)c1 782289136 SOKZJVNETQPCIA-CYBMUJFWSA-N 248.326 2.600 30 20 BFED C[C@]1(C#N)CCCN(Cc2ccc(Cl)nc2)C1 784451811 KKCOPLWDIOHPRI-CYBMUJFWSA-N 249.745 2.861 30 20 BFED C[C@@H]1CC[C@H](OC(=O)CC(C)(C)C#N)C1 784673331 ZUTFOBNDHFVQIO-ZJUUUORDSA-N 209.289 2.658 30 20 BFED C=C[C@H]1CCCCN1C(=O)C[C@@H](C)C1CC1 785855642 KIUWHOTVTQOLEF-YPMHNXCESA-N 221.344 2.990 30 20 BFED CC(C)(C#N)CCCOC(=O)[C@@H]1CCC=CO1 787029074 FLHORJJAELOAPE-NSHDSACASA-N 237.299 2.552 30 20 BFED C(=NOC[C@@H]1CCOC1)c1cc2ccccc2[nH]1 788441245 PHTXRXIMSQSBJG-LLVKDONJSA-N 244.294 2.555 30 20 BFED CCC(=NNCC1(C)CCCC1)[C@H]1CCOC1 793083543 ALLFKYNCQKQXPF-LBPRGKRZSA-N 238.375 2.959 30 20 BFED C=CCCN(C)C(=O)c1cc(C=O)c(C)cc1C 793925192 OMNSFAPIJWJTST-UHFFFAOYSA-N 245.322 2.764 30 20 BFED C[C@@H]1CCC[C@@H](OC(=O)c2ccc(C#N)o2)C1 796773680 FUMOMNKOHRFQMX-NXEZZACHSA-N 233.267 2.887 30 20 BFED C#C[C@H](CC)OC(=O)c1ccc2oc(C)nc2c1 796849537 HFMPBSPXLPVUJO-LLVKDONJSA-N 243.262 2.705 30 20 BFED CCN(CC#N)C(=O)/C(F)=C/C1CCCCC1 798245393 WZTMSHAXTVUYFZ-BENRWUELSA-N 238.306 2.792 30 20 BFED CC(=NNCC1CCCC1)c1csc(C)n1 808006506 XTJBYXGZQMYLKT-UHFFFAOYSA-N 237.372 2.955 30 20 BFED C#Cc1ccc(CN(CCC#N)C(C)C)cc1 809548318 IHAXEINDLQGINZ-UHFFFAOYSA-N 226.323 2.792 30 20 BFED CC#CCN(C[C@@H]1CCC[C@@H](C)C1)OC 810135922 VYUFDJNDESPNEN-CHWSQXEVSA-N 209.333 2.699 30 20 BFED C#C[C@@H](CCC)NC(=O)C1(F)CCCCC1 810702483 XDTIJTBDPYRIEE-NSHDSACASA-N 225.307 2.577 30 20 BFED C=CCCC[C@@H](C)NC(=O)[C@H](F)C(F)(F)F 810910764 ZJWMORZXSRBFGD-SFYZADRCSA-N 241.228 2.748 30 20 BFED Fc1ccc(C=NOC2CCC2)c(F)c1 812237291 SNOVIJYQBYAYSV-UHFFFAOYSA-N 211.211 2.868 30 20 BFED CCc1nn(C)c(CC)c1C=NOCCC1CC1 814246588 SZEHTGKMMBMGLE-UHFFFAOYSA-N 249.358 2.696 30 20 BFED C=CCC(F)(F)C(=O)Nc1ccccc1F 814691533 GQGUDCCKJCDUNB-UHFFFAOYSA-N 229.201 2.976 30 20 BFED CCOc1ccc(NN=Cc2ccccn2)cc1 814983544 BWGVKWHZGJDSOK-UHFFFAOYSA-N 241.294 2.926 30 20 BFED Cc1ccc2nc(C(=O)O[C@@H](C)C#N)ccc2c1 815396616 PAFOTZAJAQJKOF-JTQLQIEISA-N 240.262 2.612 30 20 BFED C=C(CC)COC(=O)[C@H](C)C(C)(F)F 815487581 JBIKMNRHUUWQIU-QMMMGPOBSA-N 206.232 2.787 30 20 BFED C=CCCCCC[C@H](C)N[C@H](CN)C1CC1 817960248 LATMVWDTBKJFNW-GXTWGEPZSA-N 224.392 2.838 30 20 BFED C=CC[C@@H](NCC1(O)CCCC1)c1ccncc1 819073661 HAYLERAYCVDIDH-CQSZACIVSA-N 246.354 2.594 30 20 BFED C=C[C@H](C)ONC(=O)C/C=C/Cc1ccccc1 824232284 HXUGGOXFCVXNHP-GWJCSSMESA-N 245.322 2.798 30 20 BFED C#C[C@H](NC(=O)NC/C=C\CC)c1ccccc1 826902035 HMQPYUJQNPMTCB-UQYHUFHVSA-N 242.322 2.626 30 20 BFED N#CCc1ccc(OC(=O)OC2CCC2)cc1 829737225 WLXWAPYBXPAXHE-UHFFFAOYSA-N 231.251 2.821 30 20 BFED COc1ccc(C=NN[C@@H](C)C(F)(F)F)cc1 834997424 YFMDOOLBDCSXRI-QMMMGPOBSA-N 246.232 2.570 30 20 BFED C[C@H]1CCC[C@@]1(C)C(=O)OCC(C)(C)C#N 835284759 MWBSVRUZHVXTBR-GXFFZTMASA-N 223.316 2.906 30 20 BFED C=CCCCCOC(=O)Cc1cccc(O)c1 837475994 OKVSSISSNNTCHQ-UHFFFAOYSA-N 234.295 2.834 30 20 BFED C#C[C@H](NC(=O)CCCCC(C)C)C(C)C 837597944 YFURKPJYESMWLT-ZDUSSCGKSA-N 223.360 2.977 30 20 BFED CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)C#CC1CC1 837685401 SLNMTGHWVADISN-ZFWWWQNUSA-N 233.355 2.539 30 20 BFED CC(C)C[C@@H](C)COC(=O)C#CC1CC1 838366028 FENCWFHRDBBASA-LLVKDONJSA-N 208.301 2.625 30 20 BFED C=CCC(C)(C)CNC(=O)N1CCC[C@@H]2C[C@@H]21 838612588 BGXGERZKRVGPHM-NEPJUHHUSA-N 236.359 2.783 30 20 BFED C#CCC[C@H](C)OC(=O)C1(CCC)CC1 839037309 QCBUNRLDNBKTIU-NSHDSACASA-N 208.301 2.912 30 20 BFED N#CC1(CN[C@@H]2CCCc3cccnc32)CCC1 841899121 SNIXOTQPELPMRA-CYBMUJFWSA-N 241.338 2.742 30 20 BFED CC[C@@H](C)NN=C1CCC(F)(F)CC1 842531261 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C#CCC[C@@H](C)OC(=O)C[C@@H](OCC)C(C)C 839036668 GICZVRPTZNWDRP-CHWSQXEVSA-N 240.343 2.783 30 20 BFED C#CCC[C@@H](C)OC(=O)CCCc1ccccn1 839037401 QPDQHXVMTPFKKA-CYBMUJFWSA-N 245.322 2.749 30 20 BFED C#C[C@H](CC)NC(=O)NC[C@@H]1CCC[C@H]1C1CC1 840392271 HRJCHLASWWEJOA-MJBXVCDLSA-N 248.370 2.524 30 20 BFED C#Cc1ccc(CN[C@@H]2CS[C@H](C)C2)cc1 840957489 CEVXKHCMAQESHI-RISCZKNCSA-N 231.364 2.652 30 20 BFED CCC(C)(C)C(=O)Oc1cccc(OCC#N)c1 841346247 XAJGSGUKJLJBFG-UHFFFAOYSA-N 247.294 2.931 30 20 BFED C=C(C)CON=CC1Cc2ccccc2C1 844617750 APUUHLMHJKKGEP-UHFFFAOYSA-N 215.296 2.980 30 20 BFED C=C[C@@H](C)OC(=O)c1cc[nH]c1C(C)C 845522825 QCWRGXNAAPUHFU-SECBINFHSA-N 207.273 2.869 30 20 BFED C=CCONC(=O)[C@@H](C)c1ccc(Cl)cc1 846248967 JXVNJMXGPVWQKE-VIFPVBQESA-N 239.702 2.677 30 20 BFED Cc1cc(C#N)ccc1NCC1(C#N)CCC1 846753848 AZVHZWRUAVEAQG-UHFFFAOYSA-N 225.295 2.972 30 20 BFED C=CCCCCCCCN=C(N(C)C)N(C)C 849029363 SLRVREWZXBHTCZ-UHFFFAOYSA-N 239.407 2.992 30 20 BFED C#CCCN1CCC[C@H]1c1ccc(OC)c(F)c1 852521219 NKJNELBUQNDHPP-AWEZNQCLSA-N 247.313 2.995 30 20 BFED C#Cc1cccnc1NC[C@H](OC)C(C)(C)C 853397590 QPQORHRKVQKCGF-LBPRGKRZSA-N 232.327 2.536 30 20 BFED CON(C(=O)[C@@H](C)C#N)[C@@H](C)c1ccccc1C 854520748 JJKKRMDDVITDOS-RYUDHWBXSA-N 246.310 2.606 30 20 BFED C#C[C@](C)(CC)NC(=O)c1oc(C(C)C)nc1C 854704705 YOBSTXNWJFZFGT-CQSZACIVSA-N 248.326 2.638 30 20 BFED C=CCCCC(=O)OCc1ccc2cc[nH]c2n1 861029032 GIKRPUYFVMPASS-UHFFFAOYSA-N 244.294 2.962 30 20 BFED CCCCCCCNC(=O)[C@H]1CCCCO1 862357661 BVIQOEDHFMHXCE-GFCCVEGCSA-N 227.348 2.642 30 20 BFED COc1ccnc(C(C)=NOCC2CCC2)c1 863124881 GUFUNLBWNJGYLM-UHFFFAOYSA-N 234.299 2.631 30 20 BFED C=CCC[C@H](NCc1nonc1C)c1ccco1 872137085 QKGVMBPYRPZCNP-NSHDSACASA-N 247.298 2.768 30 20 BFED CCC[C@H](CC)C(=O)Nc1cccc(C#N)n1 875808862 ZTZUQOSHBGSWFU-JTQLQIEISA-N 231.299 2.718 30 20 BFED N#CC1CCN(Cc2nc(Cl)cs2)CC1 876654084 YKAQMMNFOLMARQ-UHFFFAOYSA-N 241.747 2.532 30 20 BFED C#Cc1cccc(CN[C@@H]2CS[C@H](C)C2)c1 877575169 JMCVSQBMMLWRDH-RISCZKNCSA-N 231.364 2.652 30 20 BFED C=C[C@@](C)(O)c1cn([C@H]2C=CCCCCC2)nn1 881315138 BYMHFVOUPKJFIL-GXTWGEPZSA-N 247.342 2.733 30 20 BFED C=CCCCCCCNC(=O)Nc1ncccn1 888699832 HOWJWJOTBXIWTR-UHFFFAOYSA-N 248.330 2.735 30 20 BFED Cc1ncoc1CN[C@H](C)c1cccc(C#N)c1 894308138 QEFNMQUPUQKSKM-SNVBAGLBSA-N 241.294 2.706 30 20 BFED C#Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 895465914 QSHMNLKDLDJPNH-CHWSQXEVSA-N 241.334 2.786 30 20 BFED C=C1CC(c2noc(C3(OC)CCCC3)n2)C1 896877968 SDTBZOIYHYSNHY-UHFFFAOYSA-N 234.299 2.919 30 20 BFED C[C@@H](Cc1cccnc1)N[C@@H](C)CC(C)(C)C#N 897967016 JFRTZUDQKVDWJQ-STQMWFEESA-N 245.370 2.931 30 20 BFED C=C1CN(C(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)C1 898691362 SIPCNWPYVDRVGF-DGCLKSJQSA-N 245.322 2.734 30 20 BFED C=CCNC(=S)N1CC(C)(C)[C@H]2CCC[C@H]21 899719925 WBMDHNNIGIMMDO-WDEREUQCSA-N 238.400 2.557 30 20 BFED C[C@H]1OCCC1=NNc1c(F)cc(F)cc1F 901320875 SJBPJILQMKLZLT-ZCFIWIBFSA-N 244.216 2.681 30 20 BFED C=CCC[C@H](N[C@@H](C)CC(C)(C)C)C(=O)O 901690563 PSVQFRLVIFBBAF-QWRGUYRKSA-N 227.348 2.820 30 20 BFED CC[C@@H](N[C@@H](C)CN(C)C)c1cccc(C#N)c1 902988635 SHWRGCOXZCDNHO-SWLSCSKDSA-N 245.370 2.549 30 20 BFED CSCCCCc1noc(C(C)(C)C#N)n1 903784316 GAPLCNTWYGQJAL-UHFFFAOYSA-N 239.344 2.556 30 20 BFED CCC(=NOCCCOC)c1cccc(C#N)c1 905469495 VBQKBHZVXRQEAT-UHFFFAOYSA-N 246.310 2.725 30 20 BFED C=CCS(=O)(=O)Cc1c(C)cccc1Cl 906032471 GNIFLLMKCOBZBV-UHFFFAOYSA-N 244.743 2.749 30 20 BFED N#CCCCCOC(=O)CCc1ccc(F)cc1 912958322 BMIAJDYFJKLQPZ-UHFFFAOYSA-N 249.285 2.995 30 20 BFED C=CCOC(=O)c1cc(O)c2ccccc2c1O 916592225 QUPRMOWVKLLTPL-UHFFFAOYSA-N 244.246 2.594 30 20 BFED CN1CCC[C@H]1CSc1cccc(C#N)c1 917179220 LJBFXAYBUHZJII-LBPRGKRZSA-N 232.352 2.745 30 20 BFED CC(=NNc1ncccc1Cl)c1ccccn1 917549540 SDUYCPYYPHYCBW-UHFFFAOYSA-N 246.701 2.966 30 20 BFED CCSCCOC(=O)c1ccsc1C#N 923563572 VPMKNFCGQVCENB-UHFFFAOYSA-N 241.337 2.530 30 20 BFED C=C[C@@H](CC)CC(=O)NC(C)(C)C1CC1 933467495 QTXUROFWMCBFCG-JTQLQIEISA-N 209.333 2.894 30 20 BFED C=C[C@@H](C)NC(=O)N[C@@](C)(CC)C(F)(F)F 933527565 PRFKSFMYDJIELG-APPZFPTMSA-N 238.253 2.591 30 20 BFED C=CCn1cnnc1S[C@H](C)C(F)(F)F 1116311196 KPHJIWMIDBFJMQ-ZCFIWIBFSA-N 237.250 2.507 30 20 BFED CC(C)[C@H](C#N)C=NNc1ncccc1Cl 1116351850 JEQCTYZNJDFTCU-SECBINFHSA-N 236.706 2.928 30 20 BFED N#C[C@@]1(F)CCN([C@@H]2CCc3c(F)cccc32)C1 1116738718 BVEYVOAGTWDUKU-KGLIPLIRSA-N 248.276 2.751 30 20 BFED Cc1ccccc1NC(=N)NCC1(C#N)CCC1 1118349816 GPXYAAKRBGQHPJ-UHFFFAOYSA-N 242.326 2.625 30 20 BFED CC[C@@H]1CCC[C@H](C=Nn2nnc(C)c2C)C1 1119298700 JXVLDIYNFIMNOU-OLZOCXBDSA-N 234.347 2.945 30 20 BFED C=CCCCC(=O)OCCCOC(F)(F)F 1331082609 PPOLIOAGJQBVDY-UHFFFAOYSA-N 240.221 2.812 30 20 BFED Cc1ccc(C#N)cc1C(=O)N[C@@H]1C=CCCC1 1333479721 PBGJWIUSUZDZLG-CYBMUJFWSA-N 240.306 2.705 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)[C@H]1CC2CCC1CC2 1338328173 JMUMPOFXAAZFJU-HOAMVYINSA-N 248.370 2.963 30 20 BFED COc1cc(C(C)=NOC(C)(C)C)ccc1O 1341310446 ULLOGBNMIDAXNL-UHFFFAOYSA-N 237.299 2.940 30 20 BFED C=C(C)CCC(=O)O[C@H](C)C[C@H]1CCOC1 1343455991 HJFGSIIAUHHOLX-VXGBXAGGSA-N 226.316 2.701 30 20 BFED C=C(CC)C(=O)N(C)[C@H](C)c1ccco1 1345602557 MEVHTSZWLFPERW-SNVBAGLBSA-N 207.273 2.765 30 20 BFED C=C(CC(C)C)C(=O)N[C@H](C)c1cccnc1 1346096610 VHZRFHPIYDUZSR-GFCCVEGCSA-N 232.327 2.861 30 20 BFED C#CCC[C@@H](C)OC(=O)c1ncc(C)cc1C 1348229660 MQZPYKKXZALCGG-GFCCVEGCSA-N 231.295 2.657 30 20 BFED CCC(C#N)(CC)C(=O)N[C@@H]1CCC[C@H](F)C1 1348368678 TUZPDVXSLUPCKF-WDEREUQCSA-N 240.322 2.713 30 20 BFED C[C@@H]1SCC[C@@H]1Nc1c(C#N)cccc1C#N 1349076557 OBOSRSSBKKLBNF-CABZTGNLSA-N 243.335 2.736 30 20 BFED CCC[C@H](C)CCOC(=O)c1cccc(C#N)n1 1519341377 FGEWDGUAUXBHQI-NSHDSACASA-N 246.310 2.936 30 20 BFED C#CCCCCCCN1CCCC[C@@H]1CCN 1574544678 HQEDVEHPHUPQGO-OAHLLOKOSA-N 236.403 2.773 30 20 BFED Cc1occc1C(=O)Nc1cc(C#N)ccc1F 1583534594 SFKKSMPDXAOHPZ-UHFFFAOYSA-N 244.225 2.851 30 20 BFED C=CC[C@@H](C(=O)O)N(CC)Cc1cccs1 1588729357 QGHPYMNTVBCALY-NSHDSACASA-N 239.340 2.599 30 20 BFED C=C1C[C@@H](C(=O)O)N(CCC2=CCCCC2)C1 1776146611 QNLWMVORVYBVOI-ZDUSSCGKSA-N 235.327 2.592 30 20 BFED N#Cc1cccc(CNC(C2CC2)C2CC2)c1 20130828 DJIQKTAXACWVEY-UHFFFAOYSA-N 226.323 2.836 30 20 BFED C[C@H](N[C@H](C)[C@@H]1CCCO1)c1cccc(C#N)c1 37242943 NPKWVJDMIRKNFX-ZOWXZIJZSA-N 244.338 2.776 30 20 BFED Cc1cccc(CN(C)[C@H](C)CC#N)c1 42375337 QJVZTKSRWWDAHK-GFCCVEGCSA-N 202.301 2.729 30 20 BFED C=CCSCC(=O)Nc1ccc(F)c(F)c1 44267649 FILLMUDBQYIZJT-UHFFFAOYSA-N 243.278 2.823 30 20 BFED C=CCNC(=O)c1cc2cc(C)ccc2o1 48754201 JDYODFVPIJDJHH-UHFFFAOYSA-N 215.252 2.657 30 20 BFED C[C@H](c1ccccc1Cl)N(C)CC#N 52163021 RDCVAVNHZAVFCR-SECBINFHSA-N 208.692 2.856 30 20 BFED COc1cc(C#N)ccc1OC(=O)CC(C)(C)C 60388023 FVTVGOKIRDTYHC-UHFFFAOYSA-N 247.294 2.908 30 20 BFED C=C(C)CN(CC)C[C@@H]1COc2ccccc2O1 61758722 KSKDFOLNVBBNLU-CYBMUJFWSA-N 247.338 2.724 30 20 BFED CC(C)[C@H](C(=O)N[C@H](C)CC#N)c1ccccc1 79813179 FGXIBYVVYJYRCS-OCCSQVGLSA-N 244.338 2.845 30 20 BFED N#Cc1cccc(SC2CCCC2)n1 81622632 NFBWMHRFOXYQIB-UHFFFAOYSA-N 204.298 2.988 30 20 BFED C=CCOc1ccc(C(=O)O[C@H](C#N)CC)cc1 84698089 ZGRVTHBHVWGTHB-LBPRGKRZSA-N 245.278 2.710 30 20 BFED N#CCC1(CSc2ccncc2)CC1 87110261 NHSWTRCEDSEFJB-UHFFFAOYSA-N 204.298 2.868 30 20 BFED CC(C)(CO)CNc1cc(Cl)ccc1C#N 88170355 UYMYNMNJHCNRDD-UHFFFAOYSA-N 238.718 2.642 30 20 BFED CC[C@H](CSC)N(C)CCCCC#N 91098482 DHWVRASRLCVMGP-LLVKDONJSA-N 214.378 2.754 30 20 BFED C[C@@H](CC#N)N(C)Cc1cc(F)c(F)cc1F 93091100 PGPBCJANVGTZBM-QMMMGPOBSA-N 242.244 2.838 30 20 BFED C[C@@H](C#N)Nc1ccccc1OCC(F)F 123302783 SIRQXALRWRLCFS-QMMMGPOBSA-N 226.226 2.654 30 20 BFED CC[C@@H](C)CS[C@@H](C)C(=O)N(C)CCC#N 123868759 XIRQCVSCUQJVTJ-MNOVXSKESA-N 242.388 2.526 30 20 BFED CCSCc1ccc(C(=O)N[C@H](C)C#N)cc1 125129484 YGMUQBVQMDUBBM-SNVBAGLBSA-N 248.351 2.582 30 20 BFED C=CCCCN(C)c1nc(C)ccc1[N+](=O)[O-] 126765036 YAHKVIHVLPVMAI-UHFFFAOYSA-N 235.287 2.701 30 20 BFED C=CC[C@H](C)NC(=O)N1CC[C@@H](C)[C@@H](C)C1 127883183 FRUIWXUSCFNJGI-WOPDTQHZSA-N 224.348 2.639 30 20 BFED N#Cc1nccnc1Oc1ccc(Cl)c(F)c1 133117246 PJWMIODFQXDLJA-UHFFFAOYSA-N 249.632 2.933 30 20 BFED COc1ccc(CNC[C@H](C)C2CC2)cc1C#N 135162607 GMGVQKAPFNKDAK-NSHDSACASA-N 244.338 2.703 30 20 BFED CC#CCN[C@@H](C)c1ccc(F)cc1F 135268388 WARFLFWHBKTCBZ-VIFPVBQESA-N 209.239 2.639 30 20 BFED CCc1ccccc1C(=O)N[C@H](CC)CC#N 152835891 KVUBCQRZCLSVJB-GFCCVEGCSA-N 230.311 2.671 30 20 BFED C#CCOCCC(=O)Nc1ccc(CCC)cc1 159414249 HYUJNANTZVQYKI-UHFFFAOYSA-N 245.322 2.618 30 20 BFED C#C[C@@H](C)NC(=O)c1csc2ccccc12 165290168 KHRNHOGYDNTHFN-SECBINFHSA-N 229.304 2.653 30 20 BFED C#C[C@@H](C)OC(=O)c1ccc2[nH]c(C)c(C)c2c1 174442503 JQGAXLSMCWNOPV-SECBINFHSA-N 241.290 2.963 30 20 BFED C=CCCCC(=O)Nc1cc(C)ccc1O 175398362 XOMSGGCMCDDBIS-UHFFFAOYSA-N 219.284 2.995 30 20 BFED C/C=C(/C)C(=O)N(CCC#N)CC(C)(C)C 176283250 UGZXAEWDZFBGIA-WDZFZDKYSA-N 222.332 2.741 30 20 BFED Cc1ccc(NC(=O)N(C)CCC#N)cc1C 176537865 VNFRTJBPXQQTJE-UHFFFAOYSA-N 231.299 2.681 30 20 BFED C=C(C)CN1CCN(Cc2cccc(F)c2)CC1 178778139 SVPFRMWJPHGJCH-UHFFFAOYSA-N 248.345 2.519 30 20 BFED C#CCCCCC(=O)N(C)Cc1ccoc1C 179846707 ACKXALZURBDNAR-UHFFFAOYSA-N 233.311 2.740 30 20 BFED C=CCCCNc1cccc(C[S@@](C)=O)c1 179848222 PLQUYHBYOOYEKD-MRXNPFEDSA-N 237.368 2.943 30 20 BFED CN(C(=O)c1c[nH]c(C#N)c1)C1CCCCCC1 181178837 WREBBMGTBYEHOJ-UHFFFAOYSA-N 245.326 2.681 30 20 BFED C=C(C)CN(C)Cc1noc2c1CCCC2 181266044 SBCLEAPHDMALJP-UHFFFAOYSA-N 220.316 2.561 30 20 BFED N#CC1(COC(=O)Cc2ccccc2F)CCC1 183921672 JTOXGIWDMPPERG-UHFFFAOYSA-N 247.269 2.605 30 20 BFED CCSc1ccc([C@H](C)NC(=O)CC#N)cc1 185167595 XVJKCTCUWCKPDV-JTQLQIEISA-N 248.351 2.889 30 20 BFED C#C[C@H](C)NC(=O)NCC(C)(C)C1CCCC1 186016884 RJPQTNLJFHFVKV-NSHDSACASA-N 236.359 2.524 30 20 BFED C=CCN(C/C=C/c1ccccc1)CCOC 191762727 QDOGHTWZDIFWDR-JXMROGBWSA-N 231.339 2.834 30 20 BFED N#CCCN(Cc1ccco1)C[C@H]1CCC=CO1 193602921 YWIDUYFIMOOCKJ-CYBMUJFWSA-N 246.310 2.688 30 20 BFED C#CCSCCNC[C@@H](C)c1ccccc1 194466339 BQXCJCAHXFVCBI-CYBMUJFWSA-N 233.380 2.746 30 20 BFED C=C(C)CN(C)c1ccncc1Br 219340815 FTHJEKIBSRLOKL-UHFFFAOYSA-N 241.132 2.856 30 20 BFED C[C@H](C1CC1)N(C)Cc1cccc(C#N)c1F 219510859 KPVUMVHCFGFLBT-SNVBAGLBSA-N 232.302 2.928 30 20 BFED CCCCCCCN1C[C@@H](C)[C@@H](C(=O)O)C1 223826520 QCSFMXORIGHUCG-NEPJUHHUSA-N 227.348 2.609 30 20 BFED C=CCC[C@@H](C)N[C@@H](C(=O)O)c1ccccc1 228825446 FZANBUDYGTYWMC-DGCLKSJQSA-N 233.311 2.757 30 20 BFED CC(C)=CCNc1c(C#N)nnc2ccccc12 232633446 PRXLFSYXCIMVJQ-UHFFFAOYSA-N 238.294 2.880 30 20 BFED CCN1CCCC[C@@H]1CN[C@H]1CCC[C@@H](C#N)C1 248946778 ZIRKMFRXZVIPSS-QLFBSQMISA-N 249.402 2.533 30 20 BFED Cc1cc(C(=O)N2CCC[C@@H](CC#N)C2)c(C)o1 259744087 GFUGBFIHTSACJJ-LBPRGKRZSA-N 246.310 2.662 30 20 BFED C=CCN(CC1CCCCC1)[C@@H](CC)C(=O)O 263148227 PCHNDMYHLZVDBH-ZDUSSCGKSA-N 239.359 2.918 30 20 BFED C=CCCSc1ccc(Cl)nn1 265724780 USMAYDHDPGFSRK-UHFFFAOYSA-N 200.694 2.798 30 20 BFED Cc1nc(C)c(CNCc2ccc(C#N)o2)s1 266123191 AMMADVUVVSNNTK-UHFFFAOYSA-N 247.323 2.514 30 20 BFED C[C@H]1CCN(c2ccc(F)cc2C#N)[C@H]1C 267606661 GCXQQHRVCWRZNI-UWVGGRQHSA-N 218.275 2.932 30 20 BFED C/C=C(\C)C(=O)Nc1ccccc1O[C@@H](C)C#N 272708998 RCICSUDHHKYLOM-INJWIWPUSA-N 244.294 2.882 30 20 BFED 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C=C[C@@H](CO)N[C@H](CC)c1ccc(Cl)s1 289572147 BABVMADNESDETB-DTWKUNHWSA-N 245.775 2.989 30 20 BFED Cc1nc(NCC[C@@H]2CCCCO2)ccc1C#N 292073000 XGTGIMAOZXYVCV-ZDUSSCGKSA-N 245.326 2.633 30 20 BFED CC(C)Oc1ccc(NC(=O)CCCC#N)cn1 292329488 MXRQZTPVQGSMCK-UHFFFAOYSA-N 247.298 2.501 30 20 BFED CCOc1ccc(C#N)cc1NC(=O)CC1CC1 299142311 UUORAGOHEUEKNF-UHFFFAOYSA-N 244.294 2.696 30 20 BFED CC[C@H](C)CN(C)c1ccc(C#N)cc1[N+](=O)[O-] 301293200 XKCVLHUGKWMJNT-JTQLQIEISA-N 247.298 2.949 30 20 BFED C=CCCCN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 303991755 ZIQWCYWUXMDSMD-XQQFMLRXSA-N 223.360 2.746 30 20 BFED C=C[C@H](Nc1ccc2ccccc2c1)C(=O)O 304221218 MNGQIWZEFALWOJ-ZDUSSCGKSA-N 227.263 2.891 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)OC1CCCC1 304642024 WZBXSKDOSUMXHO-JTQLQIEISA-N 224.304 2.547 30 20 BFED C=C(C)CSCC(=O)OC(C)(C)C 308273662 UGXZSIOGFVCDSL-UHFFFAOYSA-N 202.319 2.637 30 20 BFED Cc1nc(C#N)cc(N[C@@H]2CC[C@H](C)C[C@H]2C)n1 308351037 YHWRISHXSCATRH-OPQQBVKSSA-N 244.342 2.893 30 20 BFED 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2.728 30 20 BFED C=CC[C@@H](C)[C@@H](C)N[C@@H]1CCO[C@H]1CC 459749723 YORLNULCCGPTGB-LPWJVIDDSA-N 211.349 2.744 30 20 BFED C=CCn1cccc1C(=O)Nc1ncc(C)s1 488573986 FNFSLOFOVHBCGP-UHFFFAOYSA-N 247.323 2.691 30 20 BFED C#CCN(C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 491679091 WLNKMHWHWPQXDJ-MGPQQGTHSA-N 233.355 2.685 30 20 BFED C=C(CC)CNC(=O)/C=C/C1CCCC1 493596506 KUUWZJWJEUJGTG-CMDGGOBGSA-N 207.317 2.815 30 20 BFED CC#CCCCc1nc([C@H]2CC[C@@H](C)O2)no1 528232922 IJCSMSUQEJXINL-GHMZBOCLSA-N 234.299 2.656 30 20 BFED Cc1ccc(CC(=O)NCC(C)(C)CCC#N)o1 557996114 HHKVYDFZUPXUHL-UHFFFAOYSA-N 248.326 2.577 30 20 BFED CC[C@@H](CC#N)NC[C@@H]1CCC2(CCCC2)O1 565900339 JQNIJBRXQRAUPK-STQMWFEESA-N 236.359 2.760 30 20 BFED C=CCCSc1nc(O)c(C)c(CC)n1 566498766 NBCKWHFUYBTGKQ-UHFFFAOYSA-N 224.329 2.721 30 20 BFED Cc1ccc(SCc2ccc(C#N)cn2)nc1 567327703 DBIIJPXAFMZHST-UHFFFAOYSA-N 241.319 2.949 30 20 BFED C=C(C)COc1c([N+](=O)[O-])cnc(C)c1C 569120597 KCEGBYJGZZYGHU-UHFFFAOYSA-N 222.244 2.562 30 20 BFED 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CCC(=NOC[C@@H]1CCOC1)c1cccs1 788032668 AZGPFWFSZPEAOM-SNVBAGLBSA-N 239.340 2.915 30 20 BFED CC[C@@H](C)NN=Cc1cccc(COC)c1 790190918 WDYVRZZRTQOCFD-LLVKDONJSA-N 220.316 2.555 30 20 BFED C#C[C@@H](CCC)NC(=O)NCCC(C)(C)C 791013819 NDXBTHNZATVWFV-NSHDSACASA-N 224.348 2.524 30 20 BFED C=C(Cl)CN(CCOC)[C@H]1CC[C@H](C)C1 792466602 ZNKLPGLOHZVEBN-JQWIXIFHSA-N 231.767 2.876 30 20 BFED FC(F)CNN=C1CCC2(CC1)CC2 792636021 NKUIYFMAEYAYCT-UHFFFAOYSA-N 202.248 2.551 30 20 BFED CC(C)n1nccc1C=NNCC1(C)CCCC1 793083734 GEJGCGWUPZLDRC-UHFFFAOYSA-N 248.374 2.968 30 20 BFED C#Cc1cccc(N(C)Cc2cncc(F)c2)c1 796448937 ISHJNVBGMROBRR-UHFFFAOYSA-N 240.281 2.838 30 20 BFED C#CCCOC(=O)C(C1CCC1)C1CCC1 796854448 KUKMDRPPOJINFU-UHFFFAOYSA-N 220.312 2.769 30 20 BFED C=CCOCCOC(=O)[C@H]1CCCC(F)(F)C1 797310888 BERWQUUSBSEFNP-JTQLQIEISA-N 248.269 2.558 30 20 BFED C=C(C)CCOC(=O)c1cc(F)c(O)c(F)c1 803373230 APTSMNARFDCAFK-UHFFFAOYSA-N 242.221 2.793 30 20 BFED C=C(CNC(=S)NCCCC)c1ccccc1 806593168 GBCHONARIGOLDH-UHFFFAOYSA-N 248.395 2.964 30 20 BFED CC(=NOC1CCC1)c1cccc(O)c1 812235526 JRZWQICHAKPXAU-UHFFFAOYSA-N 205.257 2.685 30 20 BFED CC(C)OCCON=C1CCC(C)(C)C1 812239450 VNNKEBCFSVUOLZ-UHFFFAOYSA-N 213.321 2.994 30 20 BFED CO[C@@](C)(C=NOCCC1CC1)C1CC1 814941054 MTPKZQKTRMSOJD-LBPRGKRZSA-N 211.305 2.604 30 20 BFED CC1(C)CC[C@@H](OC(=O)c2ccc(C#N)o2)C1 820684743 BPUVUDOSBPPGOU-SECBINFHSA-N 233.267 2.887 30 20 BFED C=CCCCOC(=O)[C@@H]1CCc2cccnc21 820817044 QXHXXINFMYEBTC-GFCCVEGCSA-N 231.295 2.621 30 20 BFED C#Cc1cnc(NC[C@H]2CCC[C@H]2CC)nc1 828628962 GITFRSRYMCBELK-CHWSQXEVSA-N 229.327 2.696 30 20 BFED C=CCCCCNC(=O)c1nccc2[nH]ccc12 832329782 HAMCYOQVOBDJDT-UHFFFAOYSA-N 243.310 2.649 30 20 BFED COCC1CCC(=NNC2CCCC2)CC1 834953634 LAMKKUCCWDVSJG-UHFFFAOYSA-N 224.348 2.711 30 20 BFED C=CC(C)(C)C(=O)OCCN(C)c1ccccc1 835199869 YFLXSLXLYPTIGD-UHFFFAOYSA-N 247.338 2.878 30 20 BFED C=CCC1(C(=O)OC[C@H](C)C#N)CCCC1 835238454 NDNQQNTWSPSYBI-LLVKDONJSA-N 221.300 2.826 30 20 BFED CC[C@@H](CC(F)(F)F)C(=O)OC[C@@H](C)C#N 835238943 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BFED C[C@H]1CCCCN1N=Cc1ccc2c(c1)CCO2 853381041 WBDJZLCKGYLKFI-LBPRGKRZSA-N 244.338 2.830 30 20 BFED C#C[C@H](C)N(C)C(=O)[C@H](CCCC)C(C)C 857192837 IGKHGFVAQGIUDW-QWHCGFSZSA-N 223.360 2.929 30 20 BFED C#C[C@H](NC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2)C(C)C 861514640 RMMNWTKUPZPUFN-PWNZVWSESA-N 233.355 2.587 30 20 BFED CC(C)CN(CCC#N)Cc1cnc(C2CC2)o1 862213741 UPDCDBAIHZFLLL-UHFFFAOYSA-N 247.342 2.924 30 20 BFED C#CC(=O)N1CCC(c2ccc(CC)cc2)CC1 863491527 VFKWUMPRKDFUPK-UHFFFAOYSA-N 241.334 2.588 30 20 BFED N#C[C@@H](Sc1ccc(Cl)nn1)C1CC1 865350704 XOMJTEATBDPIFJ-SSDOTTSWSA-N 225.704 2.524 30 20 BFED COc1ccc(NCCOC2CCC2)cc1C#N 871866191 MUBPGHSGYGOABY-UHFFFAOYSA-N 246.310 2.548 30 20 BFED Cc1cccc2sc(NN=C3CCOC3)nc12 872419591 NOCQZMYREMEEAH-UHFFFAOYSA-N 247.323 2.793 30 20 BFED Cc1nc(C#N)cc(N2C[C@H](C)CC(C)(C)C2)n1 882176233 JLQGCTDMRNZJMH-SNVBAGLBSA-N 244.342 2.529 30 20 BFED C=C/C=C\CCNC(=O)N[C@H](CC)CC=C 883624183 QPHQJXDILVQBIQ-QDZRJHCZSA-N 222.332 2.773 30 20 BFED C[C@H](N[C@H](C)c1ncco1)c1cccc(C#N)c1 886539239 WWROTMQVNXOBCZ-WDEREUQCSA-N 241.294 2.958 30 20 BFED C=C1CCC(C(=O)NCc2cc(CC)no2)CC1 889140519 FDIGNVLXVJEIEW-UHFFFAOYSA-N 248.326 2.600 30 20 BFED CCc1cnc(NC(=O)C(C#N)(CC)CC)o1 889384027 GTKMAZRCBRUFEA-UHFFFAOYSA-N 235.287 2.505 30 20 BFED C=C1CCC(C(=O)Nc2ccc(F)nc2)CC1 889583033 XPWSCWYSUHDVOU-UHFFFAOYSA-N 234.274 2.906 30 20 BFED C=CC[C@H](C)NCc1cnc2onc(C)c2c1 894260718 PZGOMHJBAUVPIK-VIFPVBQESA-N 231.299 2.585 30 20 BFED C=CC(C)(C)CNCc1cn(CC)nc1C 894715183 RUHWCAYKHAUSCA-UHFFFAOYSA-N 221.348 2.513 30 20 BFED CC(C)(CCC#N)CN1CC[C@@H](CF)C1 895573157 NPXXGILXTSDVKB-NSHDSACASA-N 212.312 2.608 30 20 BFED N#Cc1ccc(-c2nc(CCCCF)no2)cc1 897217243 MZLHSNDTAXMCKJ-UHFFFAOYSA-N 245.257 2.900 30 20 BFED C=C1CCN(Cc2cc(C(=O)O)c(CC)o2)CC1 902230527 FCLSHKFEAFZRMI-UHFFFAOYSA-N 249.310 2.692 30 20 BFED CC[C@@H]1CCC[C@@H]1NC(=O)c1ccsc1C#N 903902076 UQZWNSQZGYTYGA-KOLCDFICSA-N 248.351 2.928 30 20 BFED C[C@H]1C[C@@H](C)CN(C(=O)c2ccsc2C#N)C1 905042506 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C[C@@H](CC#N)N(C)C(=O)c1coc2ccccc12 70379900 LPVFIJIOBSMRGP-JTQLQIEISA-N 242.278 2.807 30 20 BFED N#CCN1CCC(CCc2ccc(O)cc2)CC1 73778509 NKWNUTVJQAHAAV-UHFFFAOYSA-N 244.338 2.560 30 20 BFED CCC[C@H](C)N(C)c1cccc(C#N)n1 80117809 CWKWJPJMJALYSO-JTQLQIEISA-N 203.289 2.578 30 20 BFED CCCC/C(N)=N/OCc1ccc(F)cc1F 84915008 IYIKSTXYUWWDHV-UHFFFAOYSA-N 242.269 2.944 30 20 BFED COC(C)(C)c1noc(-c2cc(C#N)cs2)n1 85236177 CGATVHJIJFLMAQ-UHFFFAOYSA-N 249.295 2.551 30 20 BFED CCC(C)(C)NCc1ccc(OC)c(C#N)c1 87822237 OHCAZRSLVOKOQG-UHFFFAOYSA-N 232.327 2.845 30 20 BFED C=CCOc1cc(N(C)C)ccc1C(C)=O 88387353 UJYITHATFPWYLJ-UHFFFAOYSA-N 219.284 2.520 30 20 BFED CC[C@@H](CSC)N(C)c1ccc(C#N)nc1 91023275 JDTDOBXTNHPXMX-NSHDSACASA-N 235.356 2.531 30 20 BFED C=C(C)Cn1c2c(sc1=O)C[C@@H](C)CC2 92895192 JUBVJQMUMRXMSE-VIFPVBQESA-N 223.341 2.611 30 20 BFED CCC1(C(=O)NCCCCC#N)CCCC1 94901872 LZWMRIPCEIXDEK-UHFFFAOYSA-N 222.332 2.767 30 20 BFED N#CC[C@@H](N)c1cccc(F)c1Br 95665578 DTFNZIHWGJYEBN-MRVPVSSYSA-N 243.079 2.502 30 20 BFED C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C#N)cc1 104775626 YPKWKZOJRISVAY-GWCFXTLKSA-N 243.310 2.868 30 20 BFED CCCCCCCCN(C)C[C@H](C)O 106944902 WCXAEXVUOFRXCJ-LBPRGKRZSA-N 201.354 2.660 30 20 BFED C=CC1CCN(Cc2nc(C(C)(C)C)no2)CC1 111259462 KVVQQTFBYMFYRR-UHFFFAOYSA-N 249.358 2.765 30 20 BFED C=CC[C@H](C)NC(=O)c1cccc2c1CCC2 116858765 DKTZOJHOMPPUQQ-NSHDSACASA-N 229.323 2.870 30 20 BFED C[C@@H]1CN(CC(C)(C)CCC#N)CC(C)(C)O1 119568296 HLUXYKYBFORNJW-GFCCVEGCSA-N 238.375 2.816 30 20 BFED C#CCCCCC(=O)N1CCC[C@@H](C)[C@@H]1C 120204054 UNUUZSIQLMCYQX-OLZOCXBDSA-N 221.344 2.827 30 20 BFED C#CCCCCC(=O)Nc1ncc(CC)s1 120220350 XLUKNSHONANLKC-UHFFFAOYSA-N 236.340 2.838 30 20 BFED CC#CCN(Cc1ccccc1)[C@H](CO)C(C)C 121105428 ABCMLMXPXQFTNP-MRXNPFEDSA-N 245.366 2.529 30 20 BFED CC(C)(C)[C@H](C#N)NC(=O)CCC1CCC1 122188568 FIZNYJZJCVJMTF-NSHDSACASA-N 222.332 2.621 30 20 BFED C=CCNc1ccccc1OCC(F)F 124322564 OLDSBAWQONLMNY-UHFFFAOYSA-N 213.227 2.928 30 20 BFED Cc1noc(C)c1CCOc1cccc(C#N)c1 126226436 UYKIPOSQEILLHX-UHFFFAOYSA-N 242.278 2.785 30 20 BFED C=CC[C@H](C)NC(=O)C[C@@H]1CC[C@H](C)C1 130512627 PVKOEMNPKRTVBX-SDDRHHMPSA-N 209.333 2.894 30 20 BFED C=C(Br)CN1CC[C@H](CC)C1 131557867 XQHVQFJNYSIFTD-VIFPVBQESA-N 218.138 2.627 30 20 BFED C[C@@H](C#N)NC(=O)CCC(C)(C)c1ccccc1 133318890 TVPKZBRSXYKNMY-LBPRGKRZSA-N 244.338 2.773 30 20 BFED CC[C@H](COC)Nc1c(F)cc(C#N)cc1F 133624339 BMGQVCGMIMWKHO-SECBINFHSA-N 240.253 2.673 30 20 BFED CS[C@@H]1CCCCN(CCCCC#N)C1 134576770 DWBJZJJYGPJJCM-GFCCVEGCSA-N 226.389 2.898 30 20 BFED C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1CCC1 135148713 UIJFBVYYFYGXKP-GWCFXTLKSA-N 209.333 2.894 30 20 BFED CCCC1(CNCc2ccc(C#N)o2)CC1 151573608 SWHPJBMFLNNATM-UHFFFAOYSA-N 218.300 2.821 30 20 BFED CCCC1(CNC(=O)c2ccc(C#N)cc2)CC1 151960036 LWBBDHNLVJBTEB-UHFFFAOYSA-N 242.322 2.868 30 20 BFED CCC(CC)n1nccc1C(=O)O[C@H](C#N)CC 153603379 MUHNBMWYXHDCFE-NSHDSACASA-N 249.314 2.703 30 20 BFED C=CCN(CC=C)Cc1cc(C#N)ccc1OC 156092418 GIVOZACXGUYKKH-UHFFFAOYSA-N 242.322 2.741 30 20 BFED C=C(C)CNC(=O)[C@@H]1C[C@H]1c1ccccc1C 161222419 AOWXOVKLEUOXBK-UONOGXRCSA-N 229.323 2.791 30 20 BFED C=CCN(C)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 161510163 VKNPGNBGKMXMOG-VXGBXAGGSA-N 221.344 2.869 30 20 BFED N#Cc1cc(F)c(N2CC=CCC2)c(F)c1 165987302 JYYNAKJBSSCUPA-UHFFFAOYSA-N 220.222 2.603 30 20 BFED CC[C@H](C)C(=O)Oc1ccc(C#N)cc1 169171357 RSPOYDGTZFPFMV-VIFPVBQESA-N 203.241 2.510 30 20 BFED N#CCCCCNCc1ccc2c(c1)CCC2 173836338 UNRFTCFUYFAMRT-UHFFFAOYSA-N 228.339 2.959 30 20 BFED N#CCSCCCN1Cc2ccccc2C1 173889178 RQBFIHYFGAGRAL-UHFFFAOYSA-N 232.352 2.649 30 20 BFED C=CC[C@H](C)NC(=O)Nc1ncc(CC)s1 174235554 IZRZKZQVPHTDNK-QMMMGPOBSA-N 239.344 2.792 30 20 BFED C=CCN(CC=C)C(=O)c1cc(OC)cs1 176397834 JMYUWSPULNOWCY-UHFFFAOYSA-N 237.324 2.571 30 20 BFED N#CCCCCN[C@@H](CCCO)c1ccccc1 179745794 QNWWEHTUDSSEPD-HNNXBMFYSA-N 246.354 2.784 30 20 BFED C#CCCCCC(=O)N1CCC[C@H](C)CC1 179881811 QJZULBLQCIKXGW-ZDUSSCGKSA-N 221.344 2.829 30 20 BFED CC1CCC(CN(CCC#N)CCC#N)CC1 180045247 QUOMFPVMVWAYKD-UHFFFAOYSA-N 233.359 2.942 30 20 BFED C#CCOc1ccccc1NCc1ccncc1 185172868 UNLAEFLTAOOJOW-UHFFFAOYSA-N 238.290 2.706 30 20 BFED C#CCN(C)C(=O)CC[C@H](C)c1ccccc1 191078700 SJJCPCOYTUKVTD-ZDUSSCGKSA-N 229.323 2.662 30 20 BFED N#C[C@H]1CCC[C@@H](NC(C2CC2)C2CC2)C1 192744724 XMVRZPRDJXZNFL-GXFFZTMASA-N 218.344 2.847 30 20 BFED C=C1CCN(C(=O)c2ccsc2)CC1 201502643 WGTXYMRXJCRETJ-UHFFFAOYSA-N 207.298 2.540 30 20 BFED C=CCN(Cc1ccccc1)C(=O)/C=C/C 212634425 PMQZSMKQAZMHDT-FPYGCLRLSA-N 215.296 2.777 30 20 BFED CC(C)CN(CCC#N)C(=O)CC1CCC1 231290894 HQQZNMTZYHIBOF-UHFFFAOYSA-N 222.332 2.575 30 20 BFED CC(C)[C@@](C)(C#N)NC(=O)C[C@@H]1CC[C@@H](C)C1 246710659 SKCRYGMSCHCZQR-YRGRVCCFSA-N 236.359 2.867 30 20 BFED C=C(CC)CN1CCCCC[C@H]1C[C@H](C)O 253094282 NJSKXXCMIXAQAR-KBPBESRZSA-N 225.376 2.968 30 20 BFED Cc1cc(C)cc(C(=O)/C=C\c2cnn(C)c2)c1 255623163 YPUGGNLBTFFTOW-PLNGDYQASA-N 240.306 2.933 30 20 BFED CC(C)CCN(CCC#N)C(=O)c1ccoc1 264079499 PTISNVXMTFYXGR-UHFFFAOYSA-N 234.299 2.682 30 20 BFED C=CCOc1cccc(NC(=O)NC2CCC2)c1 264483264 YDXZTJJMZXUPKY-UHFFFAOYSA-N 246.310 2.925 30 20 BFED CO[C@@H](CNc1ccc(C#N)cc1)C(C)C 266761655 VXPYZESECMJZJW-ZDUSSCGKSA-N 218.300 2.641 30 20 BFED C=C1CCN(Cc2cn3cc(C)ccc3n2)CC1 267629391 NGHYCUGPFXWOBI-UHFFFAOYSA-N 241.338 2.795 30 20 BFED C=CCNC(=O)N1CC[C@H](c2ccc(F)cc2)C1 267913954 FODACHASNKOYNP-LBPRGKRZSA-N 248.301 2.511 30 20 BFED CCN(CC#N)C(=O)Cc1c(C)cc(C)cc1C 271342598 CNZZNZXVYJHBCG-UHFFFAOYSA-N 244.338 2.526 30 20 BFED CCN(CCC#N)Cc1cccc(Cl)c1O 271766648 DLYCOOCNJCIACQ-UHFFFAOYSA-N 238.718 2.781 30 20 BFED Cc1cccc([C@@H]2CCCN2C(=O)CC#N)c1 274249397 VYHLHHUIZPPYNS-ZDUSSCGKSA-N 228.295 2.572 30 20 BFED C#CCCCC(=O)NC[C@H](C)c1ccccc1 277721522 GYVISSUPVCOPFJ-ZDUSSCGKSA-N 229.323 2.710 30 20 BFED CC[C@@H](NC[C@@H](C)N(C)C)c1ccc(C#N)cc1 278719647 MBHJDDCYMJACEM-IUODEOHRSA-N 245.370 2.549 30 20 BFED C#Cc1ccc(CN2CCC[C@H]2CF)cc1 293936443 HUIDXISYOMLOJS-AWEZNQCLSA-N 217.287 2.602 30 20 BFED C=CCSCCNC(=O)c1ccsc1C 294366291 ATJQREKLULXHFK-UHFFFAOYSA-N 241.381 2.706 30 20 BFED CCC[C@H](CNc1snc(C)c1C#N)OC 294782055 SFNLROQOGVBRJW-SECBINFHSA-N 239.344 2.550 30 20 BFED CC#CCCn1cnc2c1C[C@H](C)[C@@H](C)C2 296069975 VEZPTSKUCNOVRF-RYUDHWBXSA-N 216.328 2.667 30 20 BFED N#Cc1nc(NC2CCCC2)ccc1Cl 299585767 DFTIFQYOYZVZQV-UHFFFAOYSA-N 221.691 2.961 30 20 BFED C=CCOc1ccccc1C(=O)N1CC[C@@H](C)C1 299728174 UKNALRIHQNRUJI-GFCCVEGCSA-N 245.322 2.733 30 20 BFED C=CCSCCNc1ccnc(C(C)C)n1 301271406 VNLMFWVYAVULRJ-UHFFFAOYSA-N 237.372 2.931 30 20 BFED C[C@@H](C#N)CN(C)CCCCC1CCOCC1 302259869 OECWMJDWFZPVDQ-ZDUSSCGKSA-N 238.375 2.675 30 20 BFED C=C(C)CN/C(N)=N/CC1(CC(C)C)CCC1 305042310 WFJFCVOEKKCILI-UHFFFAOYSA-N 237.391 2.683 30 20 BFED CCCCCCNc1cc(C#N)nc(CC)n1 308171262 SEFDCDJMCSRZPJ-UHFFFAOYSA-N 232.331 2.903 30 20 BFED Cc1nc(C#N)cc(NCC2CCC(C)CC2)n1 308337278 OSLNXYOBBXGHBN-UHFFFAOYSA-N 244.342 2.895 30 20 BFED CCN(CC#N)C[C@@H]1CCCC(F)(F)C1 308608430 VVKWBCNLGCZHBG-SNVBAGLBSA-N 216.275 2.657 30 20 BFED C=CCCNc1cccc(C)c1C(=O)OC 309583452 QZZMTIVYNCZXIC-UHFFFAOYSA-N 219.284 2.770 30 20 BFED C=CC[C@@H](CC)NC1CCN(C(C)C)CC1 309620029 DAHOJKDMXYBVIV-CYBMUJFWSA-N 224.392 2.804 30 20 BFED C=CCC[C@H](CC)N[C@@H](CO)C1CCCC1 310026591 PQPXDRYDCFMMNZ-KBPBESRZSA-N 225.376 2.872 30 20 BFED C=C(CC)CN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C 313492530 CGACIFTZBUZVAF-YNEHKIRRSA-N 223.360 2.746 30 20 BFED C=CCC[C@@H](CO)NC(=O)C(CCC)CCC 321263214 UHVAGXCCHFFFDJ-ZDUSSCGKSA-N 241.375 2.646 30 20 BFED CC(C)[C@H]1C[C@@H]1C(=O)NCC1CCC(C#N)CC1 332208131 VDCUMQQQYYAKKO-PQAZSJQKSA-N 248.370 2.725 30 20 BFED C[C@H]1CC2(CCC2)CN1c1cccnc1C#N 334400484 YKOMLDKVLYALKD-NSHDSACASA-N 227.311 2.722 30 20 BFED CC(C)(C#N)CC(=O)N1CCc2sccc2C1 334406241 QORXJWNKLQJOQZ-UHFFFAOYSA-N 248.351 2.573 30 20 BFED CC1(C)CN([C@@H]2CC[C@@H](C#N)C2)CC(C)(C)O1 334412389 LBCZAHWOLPBNLN-VXGBXAGGSA-N 236.359 2.568 30 20 BFED CSC1(C(=O)Nc2cc(C)cc(C#N)c2)CC1 335109579 AAODJLSWYAARSB-UHFFFAOYSA-N 246.335 2.701 30 20 BFED C=CC[C@@H]1N(C(=O)[C@@H](C)C#N)CCCC1(C)C 335236045 NQVVQLKCVPFFAY-RYUDHWBXSA-N 234.343 2.739 30 20 BFED 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30 20 BFED CC(C)(C)[C@@H](C#N)NC(=O)CC1CCCC1 362341688 IOPFCRKUTYHUID-LLVKDONJSA-N 222.332 2.621 30 20 BFED C=C[C@@H](C)NC(=O)[C@@H](C)CCOc1ccccc1 362588034 OBHNMFWKORUUIR-QWHCGFSZSA-N 247.338 2.782 30 20 BFED C=C[C@H](C)NC(=O)c1cn(CC)c2ccccc12 362598264 CZBMUHGENRIQOP-NSHDSACASA-N 242.322 2.966 30 20 BFED C=CCN(c1cncc(OCC(C)C)n1)C1CC1 362652463 YPMSOYQXEIJUDJ-UHFFFAOYSA-N 247.342 2.666 30 20 BFED C#C[C@@H](NC(=O)N1CCC[C@@H]1C1CCC1)C(C)C 374270599 DRQXHLIOGABZLP-ZIAGYGMSSA-N 248.370 2.618 30 20 BFED N#Cc1cccc(CNCC2=CCCC2)c1 401166807 LQJAXHWILDPFDU-UHFFFAOYSA-N 212.296 2.758 30 20 BFED Cc1ccccc1CSc1cncc(C#N)n1 401226630 KWKUAYCHRSXESL-UHFFFAOYSA-N 241.319 2.949 30 20 BFED C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CC1 413038400 SJIBBSVMOZKUKQ-AWEZNQCLSA-N 244.338 2.635 30 20 BFED COCC[C@H](C)CNc1c(C#N)cccc1C#N 413495473 SGXPAFYWJDUIEJ-NSHDSACASA-N 243.310 2.514 30 20 BFED CC(C)(CN[C@H]1CC[C@@H](C#N)C1)c1cccnc1 414323238 ABEXQPQAVMFIKU-OCCSQVGLSA-N 243.354 2.641 30 20 BFED 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244.338 2.751 30 20 BFED C=C(C)CN(C)CCc1ccc(C#N)cc1 595423362 QVEPVRBVYMGZBA-UHFFFAOYSA-N 214.312 2.609 30 20 BFED N#Cc1ccc(CCSC[C@H]2CCOC2)cc1 596385068 QYKMGXDHWIATOM-AWEZNQCLSA-N 247.363 2.870 30 20 BFED CC(C)(CCC#N)CNC(=O)N[C@]12CCC[C@H]1C2 596600514 JKEGARBUJQQERX-FZMZJTMJSA-N 249.358 2.558 30 20 BFED CC1(C)CC(C(=O)N2CC(C#N)C2)CC(C)(C)C1 597699372 QCIYMOWMTKHQTJ-UHFFFAOYSA-N 248.370 2.821 30 20 BFED CC[C@H](C)N(CC)C(=O)c1ccc(F)c(C#N)c1 597857885 VLLHVAIKLONNCR-JTQLQIEISA-N 248.301 2.958 30 20 BFED Cc1c(Cl)cnc(NCC(F)(F)F)c1C#N 599026142 BHTDDUGLQARPMJ-UHFFFAOYSA-N 249.623 2.889 30 20 BFED N#CCCCCN[C@H]1CCCc2scnc21 599027785 SVVQZCDIMQAUEY-JTQLQIEISA-N 235.356 2.804 30 20 BFED Cc1nnc(S[C@H](C#N)C2CC2)n1C(C)C 601081538 QHRZFGALXCTHDD-SNVBAGLBSA-N 236.344 2.562 30 20 BFED Cc1ncc([C@H](C)Nc2ncccc2C#N)s1 601228563 OUOQPANZSARTME-QMMMGPOBSA-N 244.323 2.891 30 20 BFED CNc1ccc(NC(=O)C2(C#N)CCCC2)cc1 602551694 PTXFGTWCEFEDJV-UHFFFAOYSA-N 243.310 2.751 30 20 BFED C[C@H](CCC#N)CN[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 602661051 BWDLKOUBUOWEQZ-BQDHKBFISA-N 240.350 2.854 30 20 BFED N#CCSCCCN1Cc2ccccc2CO1 603010291 OUMMSKPKYBNJQX-UHFFFAOYSA-N 248.351 2.581 30 20 BFED N#C[C@@H]1CCC[C@H]1Nc1ccccc1[N+](=O)[O-] 610489517 BFKQBZTZQHHBFG-VHSXEESVSA-N 231.255 2.699 30 20 BFED C[C@@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1ccco1 613363310 HDKWVGSNKZAPMR-QMTHXVAHSA-N 248.326 2.828 30 20 BFED N#Cc1cc(O)cc(C(=O)Nc2ccsc2)c1 614297817 HAPDNGBARZXWQA-UHFFFAOYSA-N 244.275 2.578 30 20 BFED CC1(C)CN(C(=O)Nc2ccc(F)cc2C#N)C1 618995049 FBERCKCNTVTXTH-UHFFFAOYSA-N 247.273 2.571 30 20 BFED C=CCCCCNC(=O)NCC1CC=CC1 623899387 HNHFSYNDYLPFCO-UHFFFAOYSA-N 222.332 2.608 30 20 BFED C=CC(C)(C)CNC(=O)Nc1cccc(N)c1C 625909411 QXMXYJCPNPQGRN-UHFFFAOYSA-N 247.342 2.911 30 20 BFED C=CCCCn1cc(-c2cccc(NC)c2)nn1 640936213 RFWPTEGACMWLIU-UHFFFAOYSA-N 242.326 2.953 30 20 BFED C=CC[C@@H](C)Nc1cc(C2CC2)ncn1 641381461 ICETVGTWISGZLR-SECBINFHSA-N 203.289 2.731 30 20 BFED C=C(C)CCNCc1cc2cnccc2o1 651821249 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201.313 2.703 30 20 BFED C=C(CC)COC(=O)c1ccc(C#N)cc1 773431898 QHSDZWOWVHFSKQ-UHFFFAOYSA-N 215.252 2.681 30 20 BFED C=C(CC)COC(=O)CN(C)c1ccccc1 773514363 GCLOGRBPKCZOPP-UHFFFAOYSA-N 233.311 2.632 30 20 BFED CCCc1cccc(C=NNCC(F)F)c1 774386519 BJDGIOBRFXZIMU-UHFFFAOYSA-N 226.270 2.828 30 20 BFED C[C@H]1CC(=NOC2CCOCC2)CC[C@H]1C 774456792 GMTAXQFSWUCYEG-MNOVXSKESA-N 225.332 2.994 30 20 BFED CC(C)(C#N)CCOC(=O)C(C1CC1)C1CC1 776398512 JLLJWJRSMXDARG-UHFFFAOYSA-N 235.327 2.906 30 20 BFED CCC(=NOCCC(F)(F)F)[C@@H]1CCOC1 777462646 GBXQSGSBOGDMLH-MRVPVSSYSA-N 239.237 2.758 30 20 BFED COC[C@@H](C)NN=C(C)[C@H](C)c1ccccc1 777901407 KXFOYLZRUOWGAP-NEPJUHHUSA-N 234.343 2.791 30 20 BFED CC(C)OCCNN=C[C@H]1CCC[C@H](C)C1 778548222 SGDSGYLHVUTQHV-STQMWFEESA-N 226.364 2.813 30 20 BFED C#CCCOC(=O)C(F)(F)c1ccc(C)cc1 780322002 IEHKQBLLAIMUKM-UHFFFAOYSA-N 238.233 2.653 30 20 BFED CC#CCCOC(=O)/C=C/c1ccccc1 782147102 NGAXWUSTBBSMIP-ZHACJKMWSA-N 214.264 2.656 30 20 BFED C=C[C@@H](C)NC(=O)CCCc1ccsc1 783054789 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30 20 BFED CC(C)(C)NC(=O)c1cccc(SCC#N)c1 175497471 YQHIZWUCMQNDCT-UHFFFAOYSA-N 248.351 2.831 30 20 BFED C=CCC(CC=C)C(=O)NCc1ccoc1 177011376 UNLYBPVJABUZFH-UHFFFAOYSA-N 219.284 2.664 30 20 BFED C#CCCCNC(=O)c1cc(C)c(F)c(C)c1 179423549 RPALGCPTNWUUIZ-UHFFFAOYSA-N 233.286 2.586 30 20 BFED COc1cc(C#N)ccc1CN(C(C)C)C1CC1 179655867 CYZODOBLPZGMIV-UHFFFAOYSA-N 244.338 2.940 30 20 BFED C=CCCC[C@@H](C)NC(=O)N(C)C1CC1 181088680 MUSUJYOABMOPCR-SNVBAGLBSA-N 210.321 2.535 30 20 BFED C=CCCC[C@@H](C)NC(=O)c1ccc(O)cc1O 182494657 YVYXJNNOJPUBOS-SNVBAGLBSA-N 249.310 2.572 30 20 BFED CC[C@H](CC#N)NC(=O)/C=C/c1cccc(F)c1 183925601 DKEUCWUUCGXVCE-KTRBRXNASA-N 246.285 2.647 30 20 BFED C[C@@H]1CCCCN(C(=O)c2cc(C#N)cs2)C1 184378696 JNKQZAJRFCBMFD-SNVBAGLBSA-N 248.351 2.882 30 20 BFED CC#CCCCC(=O)N(C)[C@H](C)CCSC 185618939 BNVYUNGPPDUWEQ-GFCCVEGCSA-N 241.400 2.780 30 20 BFED N#C[C@H]1CCC[C@H](NCc2cccc(O)c2)C1 185884347 XLLAMGMCDSKQGP-AAEUAGOBSA-N 230.311 2.564 30 20 BFED C=C[C@@](C)(CC)C(=O)N(C)c1ncccc1OC 188031322 XMKYCSVQFWHOGE-AWEZNQCLSA-N 248.326 2.655 30 20 BFED Cc1cc(C#N)ccc1OCC[C@@H]1CCCO1 189269023 NFBWZYVGJOFDMD-ZDUSSCGKSA-N 231.295 2.815 30 20 BFED C=C(C)CN(C)CCCc1nccn1CCC 191478608 ZWSWWFXFWLAVSY-UHFFFAOYSA-N 235.375 2.734 30 20 BFED C=CCCCCCN1[C@@H](C)CCC[C@@H]1CO 193439729 LOBYGIUCHWMEMF-UONOGXRCSA-N 225.376 2.968 30 20 BFED C=C(C)COC(=O)[C@H](C)Oc1cccc(C)c1 194299803 RDIBLJXJSZOEMH-LBPRGKRZSA-N 234.295 2.882 30 20 BFED C#C[C@@H](CC)NCc1cnc(C(C)(C)C)s1 229896434 HWIBJMFJNKBWIL-JTQLQIEISA-N 236.384 2.942 30 20 BFED Cc1cc(C#N)nc(N(C)[C@H]2CCC[C@@H](C)C2)n1 231898102 OOEQLNXMVLGNPC-MFKMUULPSA-N 244.342 2.672 30 20 BFED Cc1cc([C@H](C)Nc2nccc(C#N)n2)c(C)o1 231899798 SFSRCKXFKHEKJI-VIFPVBQESA-N 242.282 2.731 30 20 BFED C#C[C@@H](CCC)NC(=O)Cc1cccc(Cl)c1 233295541 GPWCLMMECZKIEG-ZDUSSCGKSA-N 249.741 2.801 30 20 BFED CCCCCCC[C@H](C)CNC(=O)C(C)(C)N 236640882 RRYWRQGSJPJCQF-LBPRGKRZSA-N 242.407 2.837 30 20 BFED CCCCCCCN1CC[C@@H](C(=O)O)[C@H]1C 252615191 YTNHMHSSIMRGKU-VXGBXAGGSA-N 227.348 2.752 30 20 BFED C/C(C=Nn1c(C)nnc1C)=C\c1ccccc1 254870675 CBBYAPSSTJJZJA-YFSOLNEXSA-N 240.310 2.832 30 20 BFED Cc1ccc(C(=O)N2CCC[C@H](CC#N)C2)cc1 259931461 KKDXCEHNDCZXIT-CYBMUJFWSA-N 242.322 2.761 30 20 BFED N#CCCC1CCN(CCc2ccccn2)CC1 259989713 LBOLJXIPQKUMDK-UHFFFAOYSA-N 243.354 2.640 30 20 BFED C=CCCC(=O)N1Cc2ccccc2OC[C@@H]1C 272882068 CMJXPYZBWPNKHD-LBPRGKRZSA-N 245.322 2.762 30 20 BFED C=C(C)CCn1nnc(-c2ccccc2C)n1 274739733 MWCNFHDYQVDUJP-UHFFFAOYSA-N 228.299 2.615 30 20 BFED C#CC[C@@H](NC(=O)N(C)CC=C)c1ccccc1 274995530 JCLINQWYJXBCLJ-CQSZACIVSA-N 242.322 2.578 30 20 BFED C=CCCCn1ccc(-c2nccs2)n1 277610970 XXOVCYKWTLPHJQ-UHFFFAOYSA-N 219.313 2.973 30 20 BFED CC#CC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C 277808128 WFBSUXCOGCTBBS-BONVTDFDSA-N 245.297 2.589 30 20 BFED CC[C@H](NC[C@@H](C)CCO)c1ccc(C#N)cc1 278793721 QMTJZROMRAUJTF-WFASDCNBSA-N 246.354 2.617 30 20 BFED N#C[C@@H]1CCC[C@@H](NCCc2ccc(O)cc2)C1 278828839 TUKBBUAXTWWFAU-ZIAGYGMSSA-N 244.338 2.607 30 20 BFED C=C(C)CN(CC)C(=O)/C=C/c1cncs1 281486798 PTQRBARTBKKTCA-AATRIKPKSA-N 236.340 2.581 30 20 BFED CC(C)(C)n1ncnc1CSCCCC#N 282661319 RFTZEVABYUNQHJ-UHFFFAOYSA-N 238.360 2.570 30 20 BFED Cc1ccnc(N[C@H]2CCC2(C)C)c1C#N 286306484 GLNFAKFYFWPMKS-NSHDSACASA-N 215.300 2.862 30 20 BFED CC(C)n1cc(/C=C/C(=O)c2ccsc2)nn1 287304537 TYCIYUGISXOTFI-ONEGZZNKSA-N 247.323 2.817 30 20 BFED C=C(C)CN1CCCN2c3ccccc3C[C@H]2C1 289453079 LFSHMBVIKLFICH-HNNXBMFYSA-N 242.366 2.700 30 20 BFED Cc1cc(Cl)cnc1NC(=O)CCCC#N 291329515 AAOMBCIRLWTOQQ-UHFFFAOYSA-N 237.690 2.676 30 20 BFED N#CCCCC(=O)N[C@@H]1CCc2c(F)cccc21 292443308 WBJNCWNCPKXWAG-CYBMUJFWSA-N 246.285 2.623 30 20 BFED C=CCOCCN(C)[C@@H](C)c1cccc(O)c1 292882396 UGOSOOBKUJHZDI-LBPRGKRZSA-N 235.327 2.588 30 20 BFED C#CC[C@@H](NC(=O)C(C)(F)F)c1ccccc1 293384494 IVUSEBPSWZNIBB-LLVKDONJSA-N 237.249 2.522 30 20 BFED C=CC[C@@H](C(=O)NOCC1CC1)c1ccccc1 293756627 LBLTYSYAICZZBB-CQSZACIVSA-N 245.322 2.804 30 20 BFED C#CCOc1ccccc1CN1CCC[C@H]1CF 293997852 MCDCZQDWGRETTB-AWEZNQCLSA-N 247.313 2.633 30 20 BFED Cc1occc1CN(C)[C@@H](C)CCC#N 298258611 VEYGMJUMTBZXHE-JTQLQIEISA-N 206.289 2.712 30 20 BFED C=C(C)CN1CCN(Cc2ccccc2)C[C@H]1C 303709435 CGWYAJNPLSCLAY-OAHLLOKOSA-N 244.382 2.769 30 20 BFED CCCCN/C(N)=N/C[C@@H](CC)c1ccccc1 303774011 FSANJPYZJWQAEQ-CYBMUJFWSA-N 247.386 2.885 30 20 BFED Cl/C=C\CON=Cc1cccs1 308076494 FWBUHWRQMAKMDE-PTTLXOSTSA-N 201.678 2.851 30 20 BFED Cc1cc(NCc2cccc(O)c2)cc(C#N)n1 308274516 BQMJYYRKXQQMKJ-UHFFFAOYSA-N 239.278 2.579 30 20 BFED Cc1cnc([C@H](C)Nc2ccc(C#N)c(C)n2)o1 310907057 OBPQHONNEIBFHN-JTQLQIEISA-N 242.282 2.731 30 20 BFED C[C@@H](CCCCN)N[C@H](C)c1ccc(C#N)cc1 310975355 DBXNGCFHRTUHGV-QWHCGFSZSA-N 245.370 2.726 30 20 BFED OC1=N[C@@H](/C(O)=N/[C@H]2CCCC(F)(F)C2)CC1 330205472 DKTIRYZSJFWJLO-JGVFFNPUSA-N 246.257 2.640 30 20 BFED CC(C)(CN/C(O)=N/CCC#N)C1CCCC1 331147847 MRGBGJLYISLTSY-UHFFFAOYSA-N 237.347 2.620 30 20 BFED C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 331433594 JJCIYMVTKVJYRQ-FRRDWIJNSA-N 249.358 2.510 30 20 BFED C[C@@H]1CCC[C@H](NC(=O)CCCC#N)CC1 331906473 FPFCXVUYOPESLH-NEPJUHHUSA-N 222.332 2.765 30 20 BFED CC[C@](C)(C#N)C(=O)N1CC(C)(C)[C@@H]1C(C)C 334405300 PVNWUWDJMVUOOO-SMDDNHRTSA-N 236.359 2.819 30 20 BFED C[C@H]1CC[C@@H](C)CN1C(=O)c1cscc1C#N 334548538 ZMZZZIFXRXXYBA-ZJUUUORDSA-N 248.351 2.880 30 20 BFED C[C@@H]1C[C@]1(C#N)c1nc(CC2(C)CCCC2)no1 334670200 GVOBXZPSIHXBHJ-QMTHXVAHSA-N 245.326 2.994 30 20 BFED Cc1ccc(CN2CCC(CC#N)CC2)nc1 334831886 IKFPDLIXENIEPF-UHFFFAOYSA-N 229.327 2.516 30 20 BFED N#CCN1CCCC[C@H]1c1nc2ccccc2o1 335264390 YMGZLLSBWCSNAW-LBPRGKRZSA-N 241.294 2.878 30 20 BFED C=C[C@@H](C)NC(=O)c1cnc2c(F)cccc2c1 335773551 ILGWFUCYJDITPK-SECBINFHSA-N 244.269 2.678 30 20 BFED C=C[C@@H]1CCCCN1C(=O)c1occ2c1CCC2 335902219 VEBXKIJSJDRCBJ-GFCCVEGCSA-N 245.322 2.949 30 20 BFED CN(CC#N)C(=O)c1cc(F)c2ccccc2c1 335970468 LZCUBRFZGJCQRW-UHFFFAOYSA-N 242.253 2.574 30 20 BFED C[C@@H]1CCC(=O)[C@@H](Oc2ccc(C#N)cc2)C1 336193949 GEHDIGQVVSXTMY-YGRLFVJLSA-N 229.279 2.695 30 20 BFED CC[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 336339061 IYSJSEKEVOJGJZ-YGRLFVJLSA-N 214.312 2.934 30 20 BFED N#Cc1c(F)cccc1OC[C@@H]1CCCOC1 336595598 DPMQSYIEINGTDQ-SNVBAGLBSA-N 235.258 2.503 30 20 BFED C=C[C@H](CO)NC1CCC2(CCCC2)CC1 336661238 BPFKSOHYOLUGGL-GFCCVEGCSA-N 223.360 2.626 30 20 BFED C=CCCCC[C@H](C)NC[C@H]1CCOC1 336762730 OLQKNYZOYACGRO-QWHCGFSZSA-N 211.349 2.747 30 20 BFED CSc1ccc([C@@H](C)NC(=O)[C@@H](C)C#N)cc1 337105502 HZZKBVUPWBEOST-VHSXEESVSA-N 248.351 2.745 30 20 BFED CC(C)CC[C@H](C)NC(=O)c1cnccc1C#N 341479266 FBRFUGSPPLZTCY-NSHDSACASA-N 245.326 2.508 30 20 BFED C=CCN(C)C(=O)C[C@@H]1C[C@H]1c1ccccc1 341576276 KURLANKOXOMJDX-KBPBESRZSA-N 229.323 2.825 30 20 BFED C=CC[C@H](CO)CN[C@H]1CCc2cc(F)ccc21 341883736 UZWXSPBWGDCHNW-NHYWBVRUSA-N 249.329 2.587 30 20 BFED C=C[C@@](C)(CC)C(=O)N(CC)CC1CC1 344022219 WEWOQCMVWIFTNZ-ZDUSSCGKSA-N 209.333 2.847 30 20 BFED CCN(C(=O)[C@@H](C)C#N)[C@H](C)c1ccc(F)cc1 344056839 CNBLYSVHRMXDSI-WDEREUQCSA-N 248.301 2.895 30 20 BFED C=C[C@@H](C)NC(=O)c1cnn(C(C)C)c1C1CC1 346015994 ZJHRJJFCBMHVCX-SNVBAGLBSA-N 247.342 2.646 30 20 BFED C=CCNC(=O)c1ccccc1SCC=C 347552406 FQUIAFRBQCNHJN-UHFFFAOYSA-N 233.336 2.881 30 20 BFED C=CC[C@H](C)NC(=O)c1ccc(C(=O)CC)cc1 349689380 CPBVUEXCIDOHMZ-NSHDSACASA-N 245.322 2.974 30 20 BFED C=CCn1c(C2CC2)nnc1N1C[C@@H](C)C[C@H]1C 351119701 VDMJRIHZRHETSA-WDEREUQCSA-N 246.358 2.576 30 20 BFED C=CC[C@@H](CC)NC(=O)c1ncccc1Cl 352767398 CKQAZDBIEOITCE-SECBINFHSA-N 238.718 2.820 30 20 BFED CCC1(O)CCN(CC(C)(C)CCC#N)CC1 353756081 VJTKMJPXBDWSRV-UHFFFAOYSA-N 238.375 2.553 30 20 BFED CC[C@H](C)[C@H](OC)C(=O)Nc1ccc(C#N)cc1 353827793 PXNGOXLUUIVWJV-GWCFXTLKSA-N 246.310 2.558 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)[C@H]1CC12CCCC2 354013127 CYHYRMPFRBHIFV-NWDGAFQWSA-N 234.343 2.575 30 20 BFED C=C(CC)CNC1(c2noc(C)n2)CCCC1 358512665 UEGGVBUWMKDRGA-UHFFFAOYSA-N 235.331 2.703 30 20 BFED CCCCN(C(=O)NCC(C)(C)C#N)C1CC1 358619614 UIOHTUUJIPVHMT-UHFFFAOYSA-N 237.347 2.510 30 20 BFED C=CCCN(C)C(=O)NCC(C)(C)CCC#N 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30 20 BFED CC[C@H]1c2ccccc2CCN1CC#N 114492845 HBUSJDIFPPPQGA-ZDUSSCGKSA-N 200.285 2.519 30 20 BFED C=CCS[C@H](C)C(=O)NC1CCCCC1 114757151 SLAXBOPVPCALND-SNVBAGLBSA-N 227.373 2.743 30 20 BFED C[C@@H]1CCC[C@](C#N)(NC(=O)C2CCCC2)C1 116808293 RNGFVJNOWGAUAN-RISCZKNCSA-N 234.343 2.765 30 20 BFED C#CCCCCC(=O)N[C@@H](C)Cc1cccs1 119581900 ATQNQMIUHWJRTN-LBPRGKRZSA-N 249.379 2.989 30 20 BFED C#CCCCCC(=O)N[C@H](CCCC)COC 120169864 SZGPCZWQAAEFOM-CYBMUJFWSA-N 239.359 2.501 30 20 BFED C[C@@H](c1ccc(C#N)cc1)N(C)C[C@@H]1CCOC1 122865354 OJIVGOTTZFZSAG-JSGCOSHPSA-N 244.338 2.588 30 20 BFED C#CCN(CCCF)Cc1ccc(F)cc1 123134565 KCNMNRGBOLNLHZ-UHFFFAOYSA-N 223.266 2.621 30 20 BFED C=C(Cl)CNC(=O)c1ccc(C)cc1F 129507002 YFMDFKFCIKDKLJ-UHFFFAOYSA-N 227.666 2.616 30 20 BFED CC(C)[C@H](C)N(C)c1ccc([N+](=O)[O-])c(C#N)c1 131848656 AMWKXSWDMHQHTN-JTQLQIEISA-N 247.298 2.947 30 20 BFED Cc1ccnc(Nc2cnn(C(C)C)c2)c1C#N 135076201 IDRBAJDMTOQVEZ-UHFFFAOYSA-N 241.298 2.783 30 20 BFED N#Cc1ccc(CNCC2CCC2)s1 135498014 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30 20 BFED CC(C)c1ccccc1OC(=O)CSCC#N 192504222 WJNZFTLQIYHVGK-UHFFFAOYSA-N 249.335 2.972 30 20 BFED COC[C@@H](C)C/N=C/c1cc(Cl)ccc1O 194469476 GGLOZRQFPNCIMJ-DUJAKZANSA-N 241.718 2.747 30 20 BFED CC#CCCOc1ccc2c(c1)OC(=O)C[C@@H]2C 194671592 BMAJWWVPKAEDKR-NSHDSACASA-N 244.290 2.891 30 20 BFED COCCCN(Cc1ccc(C#N)cc1)C1CC1 194959697 BCQLLQCIMVPSFD-UHFFFAOYSA-N 244.338 2.559 30 20 BFED C=CCCOCCN[C@@H]1CC[C@@H](C)C[C@@H]1C 228308204 HHLMNOXUIKUNDO-HZSPNIEDSA-N 225.376 2.993 30 20 BFED C#CCCCCNc1cc(OC)ccc1[N+](=O)[O-] 229738762 FARLFGBFLBTMLC-UHFFFAOYSA-N 248.282 2.819 30 20 BFED CC(C)(NCc1cccc(C#N)c1)C1CC1 230675073 NBDSYUQCESGANU-UHFFFAOYSA-N 214.312 2.836 30 20 BFED Cc1cc(C#N)nc(N(C)C2CCCCCC2)n1 231897377 VYJKNUSXMPZSSG-UHFFFAOYSA-N 244.342 2.816 30 20 BFED C#C[C@H](CCC)Nc1ncnc2sccc12 233366619 XXJPXIXAOIRFOB-SECBINFHSA-N 231.324 2.905 30 20 BFED CC[C@H](C#N)C(=O)N[C@@H]1CCC[C@@H](C)CC1 233970187 MLYIDKQTSVRRMM-IJLUTSLNSA-N 222.332 2.621 30 20 BFED C=CCC[C@H](O)CN1CCCC[C@H]1CCC 248575600 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BFED C/C=C(/C=C/C(=O)N1CCC[C@H](C#N)C1)CC 928221095 KSJMWOSNVXPVRQ-SDQIYGHHSA-N 232.327 2.661 30 20 BFED C[C@H]1COCCN1CCCCC1(C#N)CCC1 929252467 XGPAOYDUOKLCMV-ZDUSSCGKSA-N 236.359 2.571 30 20 BFED C#CCN(Cc1cccc(COC)c1)C(C)C 932388586 OUCXTABCRJMAPL-UHFFFAOYSA-N 231.339 2.677 30 20 BFED C=C[C@H](C)NC(=O)Nc1ccc2c(c1)C[C@H](C)O2 933151559 HZOSBPGGNQUEKQ-UWVGGRQHSA-N 246.310 2.706 30 20 BFED C=C[C@@H](CC)CC(=O)N1CCO[C@@H](CCC)C1 935122294 FTMWKBNTZKSGFR-STQMWFEESA-N 239.359 2.616 30 20 BFED C#CC1CCN(Cc2ccc(F)c(OC)c2)CC1 1204563826 PVEGBRGHUZUDGJ-UHFFFAOYSA-N 247.313 2.680 30 20 BFED N#C[C@@H]1CC[C@@H](NCc2ccc3c(c2)CCC3)C1 1254636198 WPGBEGMNGKTXBO-MLGOLLRUSA-N 240.350 2.957 30 20 BFED C#CCN(CC1CC1)C(=O)C[C@H](C)CCC 1319459426 DZTFCKHVURJZSS-GFCCVEGCSA-N 221.344 2.685 30 20 BFED CC[C@@H](C)OC(=O)c1csc(C#N)c1 1325437258 QJGLFAGHRPZXBZ-SSDOTTSWSA-N 209.270 2.575 30 20 BFED Cc1ccc(C#N)nc1N[C@@H]1CCC[C@@H](F)C1 1327715747 XTIQPRVYDKNUSR-GHMZBOCLSA-N 233.290 2.954 30 20 BFED C#Cc1ccc(NCCSC(C)C)nc1 1336637159 MEPHXIQEFMYHGK-UHFFFAOYSA-N 220.341 2.616 30 20 BFED C=C(C)CCC(=O)N1CCC[C@@H]1[C@H]1CCCO1 1338996689 WBHBWSGTQALRCG-CHWSQXEVSA-N 237.343 2.513 30 20 BFED Cc1cc(CNc2ccc(Cl)c(C#N)c2)n[nH]1 1339076216 BPBXEFWMDFTUDX-UHFFFAOYSA-N 246.701 2.855 30 20 BFED C#CCCCCc1nnc(CC(C)C)o1 1341566590 IZGAOIYDUPOSRX-UHFFFAOYSA-N 206.289 2.614 30 20 BFED C=C[C@H](C)OC(=O)c1cc(C2CC2)nn1CC 1344389293 ZEBBIZSBGLBHJU-VIFPVBQESA-N 234.299 2.512 30 20 BFED CCCOC(=O)CC1(C#N)CCCCC1 1346829987 YSXDLAHHXWPICL-UHFFFAOYSA-N 209.289 2.804 30 20 BFED C=C(CC)C(=O)N[C@H](CC)CC(F)(F)F 1347148296 MCLSHBOHYPOMMY-MRVPVSSYSA-N 223.238 2.800 30 20 BFED C=C(CC)C(=O)N(C)CCOc1cccc(C)c1 1518820040 HFSKKVLLFKCSIS-UHFFFAOYSA-N 247.338 2.798 30 20 BFED C=CC(C)(C)CCOC(=O)/C=C/c1cn(C)cn1 1526188634 LHTMRCOMOORFCJ-VOTSOKGWSA-N 248.326 2.579 30 20 BFED C=C(CC(C)C)C(=O)N1CC[C@@H]1C(F)(F)F 1528425255 GPHUYNIOLDCQCT-SECBINFHSA-N 235.249 2.752 30 20 BFED C=C(C)c1cccc(NC(=O)[C@]2(C)CCNC2)c1 1573308471 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CC[C@@H](C#N)OC(=O)c1ccccc1Cl 84709880 KGLHWDFCUBQGGP-QMMMGPOBSA-N 223.659 2.799 30 20 BFED CC[C@@H]1CCCN1Cc1ccc(OC)c(C#N)c1 87833196 MQRSMAYUSUEAJY-CQSZACIVSA-N 244.338 2.941 30 20 BFED CN(Cc1ccccc1F)CC1(CC#N)CC1 88259316 CPSUDTYRPACBQA-UHFFFAOYSA-N 232.302 2.951 30 20 BFED CC[C@H](C)CN(CC)c1ccnc(C#N)c1 93255060 SWPGXRGDHBIHRK-NSHDSACASA-N 217.316 2.826 30 20 BFED C=CCN(Cc1c[nH]cn1)CC1CCCCC1 93382943 YKQFGXZLDYATHV-UHFFFAOYSA-N 233.359 2.978 30 20 BFED C=CCCOC(=O)c1cccc(NC(=O)CC)c1 103648043 WFWUPVCXSRWXBE-UHFFFAOYSA-N 247.294 2.768 30 20 BFED CCCCCCCN1C(=O)CC(C)(C)C1=O 115605718 IXUPQDBQORJTDR-UHFFFAOYSA-N 225.332 2.742 30 20 BFED C#CCCCOC(=O)CCO[C@@H](C)CC(C)C 120568254 HBSAOCCOWOOVOM-ZDUSSCGKSA-N 240.343 2.784 30 20 BFED C=CC[C@H](C)Nc1nc(CCC)ns1 122734396 UJJIKHYHXKFYMQ-QMMMGPOBSA-N 211.334 2.867 30 20 BFED CCC[C@@H](C)Nc1nccc(C)c1C#N 129317378 XOOYOUWIPGRGJA-SNVBAGLBSA-N 203.289 2.862 30 20 BFED C=C(C)COCCNC(=O)CCC(C)(C)C 132668594 NQSIHXRODIWGGF-UHFFFAOYSA-N 227.348 2.522 30 20 BFED C=C[C@@](C)(CC)C(=O)NCc1ncc(C)s1 135077977 WKXYDCGZTOPBJM-LBPRGKRZSA-N 238.356 2.670 30 20 BFED COc1ccc(CN(C)C2CCC2)cc1C#N 135102382 OVTXJIBJIRHFOK-UHFFFAOYSA-N 230.311 2.551 30 20 BFED C=CCCSCC(=O)NCCCCCC 151988868 ZDMWJUYWACWLLT-UHFFFAOYSA-N 229.389 2.992 30 20 BFED C=CCN(C)Cc1c[nH]nc1-c1ccccc1F 154766346 VUECBJGWTKNCGO-UHFFFAOYSA-N 245.301 2.834 30 20 BFED CCC[C@H]1CCCN(C(=O)C(C)(C)C#N)C1 155294766 SLRMXASFYCHHBS-NSHDSACASA-N 222.332 2.575 30 20 BFED C[C@@H](C#N)NC(=O)C[C@@H]1CCCCC1(C)C 161919115 QVAINYPLVMBBBS-QWRGUYRKSA-N 222.332 2.621 30 20 BFED C#C[C@@H](C)NC(=O)Nc1ccc(C)c(Cl)c1 167041574 JXKASRQXIYGHDI-SECBINFHSA-N 236.702 2.792 30 20 BFED C=CCCNc1ccccc1C(=O)N1CCCC1 172645248 DXGPRQLIKOKJCE-UHFFFAOYSA-N 244.338 2.911 30 20 BFED C#CCCCNC(=O)[C@@H](C)Cc1cccc(F)c1 172946463 KPYQSFBPNHDERA-LBPRGKRZSA-N 247.313 2.534 30 20 BFED CC#CCOC(=O)c1cccc(Cl)c1 174263441 PHTXBKWNJNOVIL-UHFFFAOYSA-N 208.644 2.520 30 20 BFED COC[C@H](C)CNc1c(Cl)cccc1C#N 174701669 LYCKSDVHAMHFQS-SECBINFHSA-N 238.718 2.906 30 20 BFED C#CCNC(=O)[C@H](c1cccc(Cl)c1)C(C)C 175758690 LAYCZXQKMYYYDW-ZDUSSCGKSA-N 249.741 2.829 30 20 BFED C[C@H](N(C)CCCSCC#N)C1(C)CC1 177223340 GRYGXLFHNVQZNP-NSHDSACASA-N 226.389 2.754 30 20 BFED Cc1ncccc1OCc1ccccc1C#N 178819467 LSTUDKBIKYRTDA-UHFFFAOYSA-N 224.263 2.841 30 20 BFED N#C[C@H]1CCC[C@@H](Nc2ccc(F)nc2)C1 185892548 NKXFGZFHRSFXFE-VHSXEESVSA-N 219.263 2.715 30 20 BFED C=C[C@](C)(CC)C(=O)NCc1ccsc1 188304797 AJHOSJJPJCNIKI-GFCCVEGCSA-N 223.341 2.967 30 20 BFED Cc1coc(SCCCSCC#N)n1 188363887 DFRCMVGPTOGBOI-UHFFFAOYSA-N 228.342 2.722 30 20 BFED C=CCC[C@H](O)CN(CC)c1cccc(O)c1 191579277 JTAYZTVZHOWYLE-AWEZNQCLSA-N 235.327 2.546 30 20 BFED C=CCN(C)C(=S)Nc1ccccc1 196265853 OVBIBPODASEDAG-UHFFFAOYSA-N 206.314 2.501 30 20 BFED CCC(=O)Nc1sc(CC)cc1C#N 205868150 YAXLTPHTVSIBCF-UHFFFAOYSA-N 208.286 2.531 30 20 BFED CC1=CCCN(C(=O)C2(C#N)CCCCC2)C1 230811837 HYLLEQJZAUBWIA-UHFFFAOYSA-N 232.327 2.639 30 20 BFED C[C@H]1CC[C@H](COc2ccc(C#N)c(F)c2)O1 232064608 JOTYNPMIEBSQLD-JOYOIKCWSA-N 235.258 2.644 30 20 BFED CC(C)(C#N)CCCCSC1COC1 232523317 ZSRVKCIXBNPJAP-UHFFFAOYSA-N 213.346 2.838 30 20 BFED Cc1ccc(CNCCCCC#N)cc1[N+](=O)[O-] 237538742 DBEOCZISWGVIPQ-UHFFFAOYSA-N 247.298 2.687 30 20 BFED CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H](C#N)C1CCCCC1 248482272 TYBITGWNZHAJGP-MELADBBJSA-N 248.370 2.867 30 20 BFED C[C@H](C#N)CN(C)C[C@H]1CCOc2ccccc21 252787755 DZQSRVSYCAQAAC-CHWSQXEVSA-N 244.338 2.644 30 20 BFED C=CCNC(=O)N[C@@H](C)c1cc(C)cc(C)c1 264350535 HEKHNRICSJZWFU-LBPRGKRZSA-N 232.327 2.850 30 20 BFED CC[C@H](Sc1ccccc1)C(=O)N(C)CC#N 264641218 DPKZAPGSOGKKKY-LBPRGKRZSA-N 248.351 2.539 30 20 BFED C=CC[C@H](C)NC(=O)/C=C/c1ccc(OC)cc1 265330498 MAKJXSOUYZIADF-OBIHZWKSSA-N 245.322 2.789 30 20 BFED C#CCCCOc1ccccc1NC(=O)C1CC1 270897915 IXZHODLKWROJJO-UHFFFAOYSA-N 243.306 2.827 30 20 BFED C#CCN(C(=O)/C=C/c1ccc(C)cc1)C1CC1 273999261 DOSIZFHLQKSYPS-DHZHZOJOSA-N 239.318 2.632 30 20 BFED C=CC[C@H](C(=O)N(C)CC=C)c1ccccc1 274986687 CPUYUEBCCDFQNG-AWEZNQCLSA-N 229.323 2.991 30 20 BFED C=CCC[C@H](C)N[C@H](CO)Cc1cccc(C)c1 276111126 HQTLSSLYEJBOCJ-HOCLYGCPSA-N 247.382 2.843 30 20 BFED CCCN(CC#N)C(=O)c1csc(Cl)c1 276123159 XHGLQWQPYDRPCV-UHFFFAOYSA-N 242.731 2.777 30 20 BFED C=CCCN(C)C(=O)Cc1ccccc1C 276350681 HLHOCHLEZIWCGV-UHFFFAOYSA-N 217.312 2.572 30 20 BFED C=CCCN(C)Cc1ccc(OC)c(C#N)c1 276427675 NEFNKGUMONCQOT-UHFFFAOYSA-N 230.311 2.575 30 20 BFED C#CCC1(C(=O)Nc2cc(C)n[nH]2)CCCCC1 276539917 DYVNCYOQGUSRCA-UHFFFAOYSA-N 245.326 2.630 30 20 BFED CC#CC(=O)N[C@H](CC)c1ccc(Cl)cc1 277548544 WAPDSIRMSOPNMO-GFCCVEGCSA-N 235.714 2.931 30 20 BFED Cc1cccc2c1N(C(=O)CC(C)(C)C#N)CC2 278222468 INSRYHSROSVYPR-UHFFFAOYSA-N 242.322 2.824 30 20 BFED CC[C@H](C)CN(C)C(=O)c1ccc(F)c(C#N)c1 279549309 XMOKBUOMMVKAQA-JTQLQIEISA-N 248.301 2.815 30 20 BFED CCCN(C)C(=O)c1ccc(C(C)(C)C#N)cc1 279682959 OXXQRWDWLRJZPJ-UHFFFAOYSA-N 244.338 2.970 30 20 BFED CC#CC(=O)Nc1ccc(N2CCCC2)c(C)c1 282871784 ROAJBYNYVYMOJN-UHFFFAOYSA-N 242.322 2.557 30 20 BFED C#CCOc1ccccc1OCCCCF 285145854 LSWKJKOXKGNDNU-UHFFFAOYSA-N 222.259 2.827 30 20 BFED CCC(CC)(CCO)CNc1ccnc(C#N)c1 288211588 DGALMYGQDKMYBC-UHFFFAOYSA-N 247.342 2.554 30 20 BFED C#C[C@@H](NCc1cccc2cc[nH]c12)C(C)C 289110164 CTFSDJXTCVNNIV-CQSZACIVSA-N 226.323 2.915 30 20 BFED CCC(=CC(=O)N[C@]1(C#N)CC1(C)C)CC 291454809 OKWCBPRLGQNDBR-ZDUSSCGKSA-N 220.316 2.541 30 20 BFED CC(C)[C@@H]1N(c2cccc(C#N)n2)CC12CCC2 291919988 RMDIRHWORWPHOS-AWEZNQCLSA-N 241.338 2.968 30 20 BFED C=CCN(CCC#N)C(=O)c1ccc(F)cc1C 292315485 JWDHCNOTYOKEKM-UHFFFAOYSA-N 246.285 2.676 30 20 BFED CC#CC(=O)N1[C@@H](C)[C@@H](c2ccccc2)C[C@H]1C 292576671 GFHPRLHHLYNATH-IPYPFGDCSA-N 241.334 2.803 30 20 BFED C#CCN(C(=O)Nc1c(C)cccc1F)C1CC1 296825833 NARYKWUIGMMZFF-UHFFFAOYSA-N 246.285 2.764 30 20 BFED CC#CCN(C)C(=O)Nc1cscc1C 297693659 HRWQXERGKUZFGW-UHFFFAOYSA-N 222.313 2.544 30 20 BFED C=C(Cl)CN(C)[C@H](C)c1cccnc1 299710336 QFOAVWXHSCMGIR-SNVBAGLBSA-N 210.708 2.827 30 20 BFED CSc1ccc(Nc2ncncc2C#N)cc1 302549511 UIVRUXMYWBNHSX-UHFFFAOYSA-N 242.307 2.814 30 20 BFED C[C@H](NCC1(C#N)CC1)c1cccs1 308753194 VJPPXXGYICYEIA-VIFPVBQESA-N 206.314 2.702 30 20 BFED C=CCCOCCN[C@H](C(C)C)C1CC1 309084993 WDCDFJHFXUJKSR-CYBMUJFWSA-N 211.349 2.603 30 20 BFED Cc1occc1CN[C@@H]1CCC[C@@H](C#N)C1 309647980 RHDTZBZDKJYZPC-DGCLKSJQSA-N 218.300 2.760 30 20 BFED C#CCCCCNC(=O)C(C)(C)C1CCC1 322722940 WAUKXMQXUYABPW-UHFFFAOYSA-N 221.344 2.732 30 20 BFED C[C@@H]1C[C@H](/C(O)=N/[C@@H]2C=CCCC2)CC(O)=N1 329258831 ABDOFGMMAIBTGI-OUAUKWLOSA-N 236.315 2.807 30 20 BFED CCOc1nccc(C)c1/C(O)=N/C(C)C 331230132 ZZXJVFJBDKSTOR-UHFFFAOYSA-N 222.288 2.502 30 20 BFED CN(CC(C)(C)C#N)C(=O)C12CCC(CC1)C2 334465216 CFFHQEOCFZKSNY-UHFFFAOYSA-N 234.343 2.575 30 20 BFED N#Cc1csc(C(=O)N2[C@H]3CCC[C@H]2CC3)c1 335334151 XDGJLFDARNOMDF-QWRGUYRKSA-N 246.335 2.777 30 20 BFED N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H](F)C2)cc1 335416660 GOOUFLGEMXVEOY-OLZOCXBDSA-N 246.285 2.569 30 20 BFED C[C@@H]1CC[C@H](N(C)Cc2cc(C#N)n(C)c2)C1 335812859 JGPCWRFUGMKHPY-YPMHNXCESA-N 231.343 2.517 30 20 BFED Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1F 335857235 LHYMPCUPKKXTBP-DGCLKSJQSA-N 232.302 2.916 30 20 BFED C[C@H]1C[C@H]1CC(=O)Nc1cccc(C#N)c1 336008497 BFBFODOFXXFUMS-ONGXEEELSA-N 214.268 2.543 30 20 BFED CC(C)=CCN1CCC[C@@]2(CCCCO2)[C@H]1C#N 336334213 FATYKHDTMUSWJP-CABCVRRESA-N 248.370 2.880 30 20 BFED N#CCc1ccccc1NC(=O)C1CC=CC1 336626271 DRNIGWXJFDZLMI-UHFFFAOYSA-N 226.279 2.657 30 20 BFED N#CC1(CNC2(c3ccccc3)CC2)CC1 336720729 YXHMZZQCTPJNFE-UHFFFAOYSA-N 212.296 2.569 30 20 BFED CC(C)(C#N)CCOc1ccc2cncnc2c1 337125609 FEDGNCZFDCKFMX-UHFFFAOYSA-N 241.294 2.948 30 20 BFED C=CCCN1CCC[C@]1(CCC)C(=O)OCC 338543433 OWXJXSHMNIYSOR-CQSZACIVSA-N 239.359 2.760 30 20 BFED C=CCCSCc1nc([C@H](C)OCC)no1 339090611 HOMYOQHSBOMXBC-VIFPVBQESA-N 242.344 2.976 30 20 BFED CCC[C@H](C#N)N(C)C(=O)c1ccccc1F 339173157 HJPHVEJEDUYFGM-SNVBAGLBSA-N 234.274 2.590 30 20 BFED C=CCC(C)(C)c1noc(CCOC(C)C)n1 340779460 AXXCTEHFGJSLCB-UHFFFAOYSA-N 238.331 2.891 30 20 BFED C=CCCO[C@@H](C)C(=O)NCC1(C)CCCC1 342551135 VIBHVRUSBTUHSF-LBPRGKRZSA-N 239.359 2.664 30 20 BFED C=CCCCCNC(=O)C1(SC)CCC1 346541968 NCISNSFPFGFOML-UHFFFAOYSA-N 227.373 2.745 30 20 BFED CCCCSCCC(=O)N[C@H](C#N)C(C)C 347284345 BHZOELVNKVRWQH-LLVKDONJSA-N 242.388 2.574 30 20 BFED C=CC[C@@H]1N(C(=O)CCOC)CCCC1(C)C 347449610 RRAUCKYTVVGFBV-LBPRGKRZSA-N 239.359 2.616 30 20 BFED CC1(C)CC(C(=O)Nc2cccc(C#N)c2)C1 348496339 QVLHXNGXQLAGMT-UHFFFAOYSA-N 228.295 2.933 30 20 BFED C=CCSCc1nc(CC(F)(F)F)no1 349089378 PMISFXNWEMUQOE-UHFFFAOYSA-N 238.234 2.594 30 20 BFED C[C@@H]1C[C@@]1(C#N)c1nc(CCC(C)(C)C)no1 351114837 BDUZJHSCJIYVJY-RNCFNFMXSA-N 233.315 2.849 30 20 BFED CN(CC(C)(C)C#N)C(=O)CC1CCCC1 353303055 VEDGAGNYGDUWRT-UHFFFAOYSA-N 222.332 2.575 30 20 BFED CC[C@@H](CC#N)NC(=O)c1ccc(C(C)C)cn1 355808748 OBISCNYBWJKKGQ-LBPRGKRZSA-N 245.326 2.627 30 20 BFED CC(C)OC(=O)c1cc(C#N)ccc1Cl 357416748 CCLQHRCEEBVSQK-UHFFFAOYSA-N 223.659 2.777 30 20 BFED C=CCN(CCCc1ccncc1)C1CC1 360492971 VFFQPUZDCKPZKN-UHFFFAOYSA-N 216.328 2.665 30 20 BFED CCOc1ccc2c(c1)CCN(CCCC#N)C2 361869745 WRGDTPPHCXCSCC-UHFFFAOYSA-N 244.338 2.747 30 20 BFED C=C[C@H](C)NC(=O)c1cc2c(s1)CCCC2 362587000 JSWUPTWSRNKRDJ-VIFPVBQESA-N 235.352 2.931 30 20 BFED C=C[C@H](C)NC(=O)c1sc(CCC)nc1C 362587274 KRIIFBNDBSSECS-QMMMGPOBSA-N 238.356 2.708 30 20 BFED Cc1nsc(N2CCC[C@H](C3CC3)C2)c1C#N 367927226 NRNPGSIMPKNAQO-NSHDSACASA-N 247.367 2.950 30 20 BFED C#CCCN1CCC[C@H](CN2CCCC[C@@H]2C)C1 374429711 PWUSGXIHNPSUHB-HOTGVXAUSA-N 248.414 2.596 30 20 BFED C=CCCCCN[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1O2 386456113 MTGIPKCUJDSTCN-RFQIPJPRSA-N 223.360 2.888 30 20 BFED CO[C@H](C1CC1)[C@H](C)Nc1ccc(C#N)cc1F 388353056 PGEJRRSZAUPNSF-XPTSAGLGSA-N 248.301 2.923 30 20 BFED C=CC[C@@H](CC)NC1CCC2(CC1)OCCO2 393812182 XSNHGGIUQOOEEG-GFCCVEGCSA-N 239.359 2.616 30 20 BFED CC[C@H]1CN(CCC(C)(C)C#N)C[C@H](CC)O1 398453601 IGSHIWFOSLLCQT-STQMWFEESA-N 238.375 2.816 30 20 BFED N#Cc1ccc(OCC[C@H]2CCOC2)cc1F 401089807 UAOUQAFHZAETOZ-SNVBAGLBSA-N 235.258 2.503 30 20 BFED CCCCCCCCNCc1cn(CC)nn1 404463499 TUNNZSNHWJGAIG-UHFFFAOYSA-N 238.379 2.748 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@H]1CS[C@@H](C)C1 412609526 SROFKUAOQDHLSA-HOSYDEDBSA-N 227.373 2.599 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@H](CC)[C@@H](O)C(C)C 414287725 FFFNRHNXCHWACA-FQUUOJAGSA-N 227.392 2.972 30 20 BFED C=CCC[C@@H](C)NC[C@H](CC(C)C)OC 417325662 AGLAHCQYJDQPKT-OLZOCXBDSA-N 213.365 2.992 30 20 BFED C=CCCCC[C@H](C)NCC[C@@H]1CCNC1 423254047 WWEPVGDHENRHES-KBPBESRZSA-N 224.392 2.711 30 20 BFED CN(CC(C)(C)C)C(=O)N(C)CC(C)(C)C#N 432265633 BBFNVLSIEIOHBJ-UHFFFAOYSA-N 239.363 2.566 30 20 BFED COc1cccc(CCN[C@@H]2CC[C@@H](C#N)C2)c1 442714607 YNHJLGJSKSMAPU-ZIAGYGMSSA-N 244.338 2.520 30 20 BFED CC#CCNc1cnn(-c2ccccc2)c1CC 447890347 LBOWKGIMPLOUTD-UHFFFAOYSA-N 239.322 2.870 30 20 BFED C=CCOc1cccc(CN2CC[C@H](F)C2)c1 449384508 BMMHXGHPVXUBGJ-ZDUSSCGKSA-N 235.302 2.795 30 20 BFED C=CCC[C@H](C)N[C@@H]1CCC[C@H]1OCC 449755032 LUYALNRHFHOMQB-YNEHKIRRSA-N 211.349 2.888 30 20 BFED Cc1cc(C#N)cc(NC[C@H]2C[C@H]2C)c1 449759508 JTCLREOAJJVRJS-ZYHUDNBSSA-N 200.285 2.935 30 20 BFED C=C(C)CCNC(=O)c1ccccc1C(C)=O 456127572 ZSRFQYQHGBYBBF-UHFFFAOYSA-N 231.295 2.585 30 20 BFED C=C(CC)CNC(=O)N(C)[C@H](C)C1(C)CC1 459068185 CGIBPTWJHIAGDA-LLVKDONJSA-N 224.348 2.783 30 20 BFED C=CC[C@H](CC)NC(=O)N1C[C@H](C)[C@@H](C)C1 466382082 VZYHUHXSMONYHZ-SRVKXCTJSA-N 224.348 2.639 30 20 BFED C=CCCCCNC(=O)NCCC=C(C)C 479741576 HQEKELBCPBESTF-UHFFFAOYSA-N 224.348 2.998 30 20 BFED C=C[C@H]1CCCCN1CCc1ccccn1 489427430 NVPSOGSGPANPEP-AWEZNQCLSA-N 216.328 2.665 30 20 BFED C#C[C@@H](C)N(C)C(=O)[C@H](c1ccccc1)C(C)C 491288677 SZVWABWBSMFUIJ-HIFRSBDPSA-N 243.350 2.906 30 20 BFED C#C[C@H](NC(=O)[C@]1(C)CC=CCC1)C(C)(C)C 491803433 JFVUHWWIXCZUOM-SWLSCSKDSA-N 233.355 2.897 30 20 BFED C=CCN(C)CCc1ccc(CC)cc1 494658494 YJFYOBYULJRGDU-UHFFFAOYSA-N 203.329 2.909 30 20 BFED C[C@H](Cc1ccsc1)NCC1(C#N)CCC1 562810592 MUJSKAXAMBNZBQ-LLVKDONJSA-N 234.368 2.963 30 20 BFED CC(C)[C@H]1CCCCN1Cc1ccc(C#N)cn1 569738406 OCCSUSQHKDTLKP-OAHLLOKOSA-N 243.354 2.964 30 20 BFED CC[C@@H]1CCCC[C@@H]1NC(=O)NCC1(C#N)CC1 570463391 CYPKMGJTQIQJRH-NEPJUHHUSA-N 249.358 2.558 30 20 BFED CC[C@@H]1C[C@@H](C)CN1Cc1ccc(C#N)cn1 579369998 URVINCVIELCWGG-BXUZGUMPSA-N 229.327 2.574 30 20 BFED CC1(C#N)CCC(NC2CC=CC2)CC1 590646813 VXKNARFXAGVCJR-UHFFFAOYSA-N 204.317 2.767 30 20 BFED C[C@@H]1C[C@@H]1C(=O)N(CC#N)c1ccc(Cl)cc1 592651663 XRLJVDXKZOVKOZ-SKDRFNHKSA-N 248.713 2.853 30 20 BFED CC[C@H](C#N)C(=O)N(CC)Cc1ccccc1C 593399665 JEIXJKGRRPZDAZ-CYBMUJFWSA-N 244.338 2.893 30 20 BFED C[C@H](C1CC1)N(C)c1nc(C#N)c(Cl)s1 596072167 YBYGGXXPKKCSJL-ZCFIWIBFSA-N 241.747 2.903 30 20 BFED CC1(C#N)CCN(c2nccc3[nH]ccc23)CC1 596188342 FOFQWVOZAVNUDG-UHFFFAOYSA-N 240.310 2.693 30 20 BFED CC[C@H](C)CCNc1cnccc1C#N 596414876 DETGXHJMAUOCKH-JTQLQIEISA-N 203.289 2.801 30 20 BFED C=CCSc1ccc(C(=O)OC)cc1 600837796 ZJFRJYQPULLBET-UHFFFAOYSA-N 208.282 2.751 30 20 BFED CCc1ccc(F)cc1C(=O)N[C@@](C)(C#N)CC 601025581 DUOGRSYRJDXEQA-CQSZACIVSA-N 248.301 2.810 30 20 BFED Cc1ncc([C@H](C)Nc2cc(C#N)ccn2)s1 601227289 DWEBVEFTVLHQFE-QMMMGPOBSA-N 244.323 2.891 30 20 BFED CCN(CC#N)Cc1cc2ccccc2n1C 602450726 VJAAOBHRCIQEMK-UHFFFAOYSA-N 227.311 2.524 30 20 BFED C[C@H](CCC#N)CNCc1ccsc1 602506769 OXOBPKVFGQEZAF-SNVBAGLBSA-N 208.330 2.778 30 20 BFED N#CCC1CCN(Cc2cccc(F)c2N)CC1 602596401 KJVPPKMSFCCMGF-UHFFFAOYSA-N 247.317 2.534 30 20 BFED C[C@@H](CCC1CC1)NCc1cccc(C#N)n1 602617241 BSMQYZYVHMYHOX-NSHDSACASA-N 229.327 2.622 30 20 BFED CO[C@@]1(C)CCCN(C[C@@H](C)CCC#N)CC1 602639636 XLPDCZLUHTWNEN-KBPBESRZSA-N 238.375 2.817 30 20 BFED C=CCC[C@@H](N[C@H](CC)C1CC1)C(=O)OCC 602679369 DYFKULNXAPFJFK-CHWSQXEVSA-N 239.359 2.663 30 20 BFED CC(C)(C#N)CNCc1nc2c(s1)CCCC2 612584882 GEIULNBIJPTDBF-UHFFFAOYSA-N 249.383 2.661 30 20 BFED C=CCC1(NC(=O)[C@@H]2CCSC2)CCCC1 619107583 FPWXITJBXINKIN-LLVKDONJSA-N 239.384 2.745 30 20 BFED C=CCN(CC=C)C(=O)C[C@H](C)c1ccco1 623365157 GXMVNZRPYQIZJW-LBPRGKRZSA-N 233.311 2.974 30 20 BFED C=CCCC(=O)Nc1ccc(NC)cc1 638563984 URSHKJVDZDTXHC-UHFFFAOYSA-N 204.273 2.633 30 20 BFED C=CC(C)(C)CNC(=O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 655707362 WFPSQZAIEILCTM-JZRPKSSGSA-N 248.370 2.542 30 20 BFED C=CC[C@@H]1CCCN(C[C@@H]2CCCOC2)C1 661381000 SSDJOZFOXWCPGP-KGLIPLIRSA-N 223.360 2.701 30 20 BFED C=CCCN1CCN(CCC=C)[C@@H](C)[C@@H]1C 662225098 SKJLANXYGHVDEY-KBPBESRZSA-N 222.376 2.533 30 20 BFED C#CCN(C(=O)c1cc(C)c(C)s1)C(C)C 688850051 QXERLNSMDDBMEP-UHFFFAOYSA-N 235.352 2.849 30 20 BFED C=CC(C)(C)CCNCCC(C)(C)C(=O)O 701894159 VJWRPHUMEVVXCY-UHFFFAOYSA-N 227.348 2.679 30 20 BFED C#C[C@@H](NCc1ccncc1Cl)C(C)(C)C 702279833 YBPLSAIOMZROIB-GFCCVEGCSA-N 236.746 2.873 30 20 BFED Cc1cc(C)c(C#N)c(N2CCC[C@@H]2C2CC2)n1 706654283 SUKVEYLFBDSMLD-CQSZACIVSA-N 241.338 2.949 30 20 BFED CC[C@@H](C)C(=O)OCc1ccc(F)cc1C#N 728618054 SAIHBGFXCXBEKZ-SECBINFHSA-N 235.258 2.787 30 20 BFED C=CCCOC(=O)Cc1cc(C)ccc1OC 729072505 OWTBDRAQQCVQGS-UHFFFAOYSA-N 234.295 2.665 30 20 BFED C[C@H](C#N)OC(=O)C[C@@H](C)c1cccc(F)c1 734908050 YDIMNRLRIOTXJB-NXEZZACHSA-N 235.258 2.775 30 20 BFED CN(C)C(=S)NN=C[C@@H]1CCCC(C)(C)C1 752731072 USKVYMUMHOYHOP-SNVBAGLBSA-N 241.404 2.625 30 20 BFED COC[C@H](C#N)OC(=O)[C@@H](C)CCC(C)(C)C 755136365 ABFYQVOWVIDBDH-QWRGUYRKSA-N 241.331 2.531 30 20 BFED C#CCCCC(=O)N1CCCOc2ccccc21 759055484 SOEFOQACZQGPJL-UHFFFAOYSA-N 243.306 2.606 30 20 BFED Cc1cc(C=NNc2cnn(C)c2)ccc1Cl 761871479 XTUCJVOVWHDDSH-UHFFFAOYSA-N 248.717 2.828 30 20 BFED CC(C)OCCNN=C1CC(C)(C)C[C@@H]1C 766029940 PXIWYPCPKPYDAU-NSHDSACASA-N 226.364 2.813 30 20 BFED C#CCCCNc1cccc(NC(C)=O)c1C 766731958 TXWCZBRJGAGXHP-UHFFFAOYSA-N 230.311 2.779 30 20 BFED CC1=CCC[C@H](C)[C@@H]1C=NNc1ncccn1 773188541 DVHRDIIKIXEJEU-NWDGAFQWSA-N 230.315 2.867 30 20 BFED C#C[C@@H](NCc1ccccc1Cl)[C@H]1CCCO1 775346565 VICHKXNFDAXSHA-ZIAGYGMSSA-N 249.741 2.610 30 20 BFED C=C(CC)CN1CCC(C(=O)C(F)(F)F)CC1 775859812 IEKHEEYIFGDRPY-UHFFFAOYSA-N 249.276 2.796 30 20 BFED CC1=CCC[C@@H](C)[C@H]1C=Nn1ccccc1=O 776786595 GXFKVQBWPFWRSI-OLZOCXBDSA-N 230.311 2.675 30 20 BFED C#CCCCCCC(=O)N(C)Cc1ccncc1 780340939 BLOIYAXYCMIWEG-UHFFFAOYSA-N 244.338 2.624 30 20 BFED CCCCS[C@@H](C)C(=O)O[C@@H](C#N)CC 785748998 NMQNNBYMIRMQQS-VHSXEESVSA-N 229.345 2.754 30 20 BFED Cc1ccc(C=NNc2ncccc2C)nc1 790192912 JUTKGNFNFSLQRN-UHFFFAOYSA-N 226.283 2.539 30 20 BFED C#CCN(C)C(=O)c1sccc1C(C)C 790959209 XETVFFCUBPTJBY-UHFFFAOYSA-N 221.325 2.577 30 20 BFED C=CCC1(C(=O)O[C@H]2CCSC2)CCC1 791802498 ZKJGWNJYKPXHTH-JTQLQIEISA-N 226.341 2.782 30 20 BFED N#CCCCCOC(=O)c1ccc(F)c(C#N)c1 792306878 SERYVPYTNHZSLB-UHFFFAOYSA-N 246.241 2.548 30 20 BFED C=CCCCCCOC(=O)C(C)(C)OC(C)=O 792364311 NGLWPPNAKCSBIJ-UHFFFAOYSA-N 242.315 2.618 30 20 BFED CO[C@@]1(C)CC(=NOCCSC)C1(C)C 794572260 NBMGPRINRLOENR-NSHDSACASA-N 231.361 2.557 30 20 BFED Cc1cccc(C)c1C=NNc1cncnc1 794979152 BTUIYOOEONHPLO-UHFFFAOYSA-N 226.283 2.539 30 20 BFED FCCCCON=Cc1ccccc1F 795199944 PRMAIVJWOCDYLR-UHFFFAOYSA-N 213.227 2.926 30 20 BFED C=C(Cl)COC(=O)C[C@H]1CCC[C@H](OC)C1 796050870 BRVCAEGXYOBEKF-QWRGUYRKSA-N 246.734 2.877 30 20 BFED CC#CC(=O)NCc1csc2ccccc12 801132405 GMLFIRFTWULJEF-UHFFFAOYSA-N 229.304 2.541 30 20 BFED C#Cc1ccc(CN2C[C@@H](C)[C@H](C)C2)cc1 809578409 KVRZZBURJSOXRW-CHWSQXEVSA-N 213.324 2.756 30 20 BFED C#Cc1ccc(CN[C@H](C)c2ccc[nH]2)cc1 809630088 KYSYZILXBPHBGL-GFCCVEGCSA-N 224.307 2.847 30 20 BFED CC[C@@H](C#N)OC(=O)c1ccc(C(C)C)cn1 810623770 GMTKSGXJZNZRTD-NSHDSACASA-N 232.283 2.664 30 20 BFED C=CCCCCOC(=O)/C=C/c1cccnc1 811014496 XFBJTNBKFXUTLU-CMDGGOBGSA-N 231.295 2.994 30 20 BFED CC[C@@H](O)CNN=Cc1ccc(C(C)C)cc1 811654495 QPTOYMNNYORGKI-CQSZACIVSA-N 234.343 2.504 30 20 BFED CC(=NOCCC1CC1)c1ccc2c(c1)OCO2 814244973 GSPLLUMSSMUDAK-UHFFFAOYSA-N 247.294 2.956 30 20 BFED CN(Cc1cccc(Cl)n1)CC(C)(C)C#N 814670481 UUCIYCCHMNAKBT-UHFFFAOYSA-N 237.734 2.717 30 20 BFED FC(F)CNN=C1CCCC12CCCC2 814853378 KYSWVLDTUKEISL-UHFFFAOYSA-N 216.275 2.941 30 20 BFED Fc1cc(NN=Cc2ccc(Cl)o2)ccn1 814901145 ZWYAFYKWQMTRDI-UHFFFAOYSA-N 239.637 2.913 30 20 BFED CC[C@@H](C)NN=C(C)c1ccccc1C#N 814913533 PAMVAEZKVFDPIK-SNVBAGLBSA-N 215.300 2.670 30 20 BFED 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247.338 2.661 30 20 BFED CC/C(C)=C(/C)C(=O)Nc1ccc(C#N)c(C)n1 839416856 KLHQRMNNZRWPJY-KTKRTIGZSA-N 243.310 2.947 30 20 BFED C=C[C@](C)(CC)C(=O)O[C@@H]1CCC(C)(C)C1=O 840477658 DPTPTLHLWLXFTD-QMTHXVAHSA-N 238.327 2.890 30 20 BFED CCCCCCO[C@@H](C)C(=O)O[C@H](C)CC#N 842311530 YRKAOLBRWBVAST-NEPJUHHUSA-N 241.331 2.817 30 20 BFED C#C[C@@H](OC(=O)C1CCC1)c1ccc(F)cc1 842412563 PKXHGSKBAGSORD-CYBMUJFWSA-N 232.254 2.843 30 20 BFED CCCON=Cc1ncc(Cl)s1 842551333 QIHGMNZYUUVCFK-UHFFFAOYSA-N 204.682 2.557 30 20 BFED CCCON=C(C)c1cccc(OC)c1 842566102 UHSJKYRJUZZFJI-UHFFFAOYSA-N 207.273 2.846 30 20 BFED C=C[C@@H](C)ONC(=O)Nc1ccc(F)c(C)c1 844532898 WBYOHCMCBXAOKQ-SECBINFHSA-N 238.262 2.762 30 20 BFED CCc1cccc(C=NN[C@H]2CCOC2(C)C)c1 844599763 AXHZUTKIWOBYAO-AWEZNQCLSA-N 246.354 2.740 30 20 BFED C[C@H]1CCCCCC1=NNc1ccncn1 844600286 JEZPLAARROQDJD-JTQLQIEISA-N 218.304 2.845 30 20 BFED CC(C)(C#N)COC(=O)[C@@H]1C[C@H]1C1CCC1 845511944 YNJIZYXOBMWZMO-WDEREUQCSA-N 221.300 2.516 30 20 BFED 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229.736 2.578 30 20 BFED C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](OC)C1CC1 880231584 SXXMUJATKJNIOO-GXFFZTMASA-N 239.359 2.518 30 20 BFED C#Cc1ccc(C(=O)N(CC)CCCC)cc1 895518990 YJKCZSOJIBWIKX-UHFFFAOYSA-N 229.323 2.930 30 20 BFED C=C1CC(c2noc([C@@H]3CCC(=O)[C@H](C)C3)n2)C1 896883952 MWTZPYKWTAVVOZ-NXEZZACHSA-N 246.310 2.976 30 20 BFED C=C1CC(c2noc([C@@H]3C[C@H]4CC[C@H]3O4)n2)C1 896890811 OHAIJMWMYJUAIG-GMTAPVOTSA-N 232.283 2.538 30 20 BFED C=C1CN(C(=O)C[C@@H](C)c2ccccc2OC)C1 898694208 AXIDOMSFUCFVTI-GFCCVEGCSA-N 245.322 2.587 30 20 BFED C=C1CN(C(=O)[C@@H](c2ccccc2)C2CC2)C1 898700019 YMKMTVVAQFQYND-AWEZNQCLSA-N 227.307 2.579 30 20 BFED C(=NOC1CCC1)c1cccc2c1OCC2 901245340 CHZYKESZNFMLFS-UHFFFAOYSA-N 217.268 2.525 30 20 BFED CCCCN(O)C(=O)c1ccc(C(C)=O)s1 904208217 QTDPBXKSDFHABX-UHFFFAOYSA-N 241.312 2.582 30 20 BFED C=CC[S@](=O)Cc1ccc(Cl)c(OC)c1 905208421 VBBHPOSKUSLMAH-HNNXBMFYSA-N 244.743 2.783 30 20 BFED CC[C@@H](C#N)OC(=O)[C@@H](C)c1ccccc1C 923910896 LJXCFRZSXYKBRY-RYUDHWBXSA-N 231.295 2.944 30 20 BFED C=C1CN(C(=O)Nc2cccc3c2CCCC3)C1 929195798 OAGFHTLYHWWETL-UHFFFAOYSA-N 242.322 2.969 30 20 BFED C=C[C@H](CC)CC(=O)N1[C@H]2C=CC[C@H]1CC2 935048063 BPLCJDJSWPFNAQ-AGIUHOORSA-N 219.328 2.908 30 20 BFED Cc1ccc(-c2nnc(CC3CC3)o2)cc1C#N 1118372412 VSOJAGYIEHGKOK-UHFFFAOYSA-N 239.278 2.869 30 20 BFED Cc1cscc1C(=O)N[C@@H](C#N)C1CCCC1 1119445159 HYQNMPLJDNFXCL-LBPRGKRZSA-N 248.351 2.869 30 20 BFED C=C(C)CCC(=O)NCc1ccc(N(C)C)cc1 1120612207 WVHGTVCQAPMKOQ-UHFFFAOYSA-N 246.354 2.725 30 20 BFED C=C[C@H](CC)OC(=O)[C@H](CCC)OCC 1122657785 LIGGKMWZBZQWEM-MNOVXSKESA-N 214.305 2.699 30 20 BFED C=C(CC(C)C)C(=O)N1CC[C@H](C)[C@@H]1C 1123732597 YETIVRPHQGNPOB-JQWIXIFHSA-N 209.333 2.846 30 20 BFED CC[C@@H]1CCN(C[C@H](C#N)CCC#N)[C@H]1C 1169494574 LWKVJVZRSKMVRH-RWMBFGLXSA-N 219.332 2.550 30 20 BFED C=C[C@H](COC)NCc1cc(C)c(C)cc1C 1320312922 PTFYZLUPHCDPCJ-OAHLLOKOSA-N 233.355 2.902 30 20 BFED C=CCCC(=O)NCCCCOc1ccccc1 1321414119 GUGVRRLYMUABFC-UHFFFAOYSA-N 247.338 2.928 30 20 BFED 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30 20 BFED C=CC[C@@]1(C(=O)O)CCCN(C/C(C)=C\C)C1 1776154518 GGNUMMRSSAZLBL-WTKLMOFPSA-N 237.343 2.696 30 20 BFED C=CCN(CC=C)C(=O)/C=C\c1cccs1 33398171 XYKWDVAKUGKHNG-FPLPWBNLSA-N 233.336 2.962 30 20 BFED C[C@H](NC[C@@H]1CCCOC1)c1cccc(C#N)c1 38045110 PJHHQADSCOCATO-JSGCOSHPSA-N 244.338 2.635 30 20 BFED C[C@H]1C[C@H](CC(=O)N(C)CC#N)CC(C)(C)C1 66644033 QKHKWZIQNSLBIJ-NWDGAFQWSA-N 236.359 2.821 30 20 BFED C[C@@H]1C[C@@H]1C(=O)N(CCC#N)c1ccc(F)cc1 72678591 JVUWDJPBMSSAAC-MFKMUULPSA-N 246.285 2.728 30 20 BFED Cc1ccncc1C(=O)Nc1cccc(C#N)c1 82338547 CNPQMSWPFAWHKK-UHFFFAOYSA-N 237.262 2.514 30 20 BFED C[C@H]1C[C@@H](C)CN(CCC(C)(C)C#N)C1 87595083 VRDZHSAEBSYHJY-TXEJJXNPSA-N 208.349 2.904 30 20 BFED COc1ccc(CN2CCC[C@H](C)C2)cc1C#N 87833086 HCERLKZRYBQGDQ-LBPRGKRZSA-N 244.338 2.799 30 20 BFED CC[C@H](C)N(C)Cc1ccc(OC)c(C#N)c1 87833142 FLPJIAPAEAUDJT-NSHDSACASA-N 232.327 2.797 30 20 BFED CCN(CC#N)Cc1cc2cc(OC)ccc2o1 92399246 NYHJNVNWQHFSNP-UHFFFAOYSA-N 244.294 2.787 30 20 BFED 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BFED C=C(C)CN1CC[C@H](Oc2cccc(F)c2)C1 183355820 SOJXEUKUYRIAQR-AWEZNQCLSA-N 235.302 2.855 30 20 BFED C#CCC(C)(C)C(=O)N1CC[C@@H](C)C[C@@H](C)C1 185928270 UZOJPKQNMAZBNQ-CHWSQXEVSA-N 235.371 2.931 30 20 BFED C=CCCO[C@H](C)C(=O)N[C@H](CC)CCC 194870657 RLDOQUNUPZZIGE-VXGBXAGGSA-N 227.348 2.663 30 20 BFED C[C@@H](C#N)OC(=O)/C=C\c1ccc(Cl)cc1 209389297 SASOTQCKTMVZME-WYDVEAGSSA-N 235.670 2.808 30 20 BFED CN(C)c1ccc(CNCCCCC#N)cc1 237056962 TXTRVFBEKJNGOL-UHFFFAOYSA-N 231.343 2.536 30 20 BFED C=CCCC(=O)Nc1ccc(CN(C)C)cc1 263975428 IVBXPQXMFYXDMR-UHFFFAOYSA-N 232.327 2.653 30 20 BFED C=C1CCN(c2nccc(C(F)(F)F)n2)CC1 264470858 NHDXLWLNFDJMRC-UHFFFAOYSA-N 243.232 2.652 30 20 BFED C=C1CCN(CCOc2cccc(C#N)c2)CC1 264504290 WESCPNMQFRHHFQ-UHFFFAOYSA-N 242.322 2.589 30 20 BFED CCCCCCCC(=O)NCCn1cccc1 266719341 HCCIVFXVPHIQGY-UHFFFAOYSA-N 236.359 2.965 30 20 BFED C[C@H]1CCN(c2ccc(C#N)cn2)CC12CCC2 271273830 BBOGWOKJWSLGPG-LBPRGKRZSA-N 241.338 2.970 30 20 BFED C[C@@H](C#N)CN(C)c1ccnc2ccsc12 271652288 SHRUKHTVEOEYEL-VIFPVBQESA-N 231.324 2.892 30 20 BFED CO[C@@H]1CCCC[C@@H]1Nc1nccc(C)c1C#N 273338350 NGPGFWQMENBFEI-QWHCGFSZSA-N 245.326 2.631 30 20 BFED C=CCN(Cc1ccccc1O)C1CC1 273537409 WNZSGPAQTXRBFT-UHFFFAOYSA-N 203.285 2.543 30 20 BFED C=CCCCc1nc(Cc2cccnc2)no1 273845187 ZVGWYFFZBUVNOR-UHFFFAOYSA-N 229.283 2.564 30 20 BFED C=CCCN(C)C(=O)CCCCSC 276333265 FAPQFFRVRQVUDB-UHFFFAOYSA-N 215.362 2.554 30 20 BFED C=C(C)[C@H]1OCC[C@H]1CNc1cccc(F)n1 280791431 QPYDULJPCFNHLB-GXFFZTMASA-N 236.290 2.614 30 20 BFED C=CC[C@@H](CC)NC(=O)COc1ccccc1 281563338 ZWIUWBKDPFUXGK-GFCCVEGCSA-N 233.311 2.536 30 20 BFED C=CC[C@H](CC)NC(=O)c1cc(Cl)cn1C 281625666 GELLCGVMUAOSRK-JTQLQIEISA-N 240.734 2.763 30 20 BFED CC[C@@](C)(C#N)C(=O)Oc1ccccc1 285017910 ODHYKWQMBKIXBN-LBPRGKRZSA-N 203.241 2.532 30 20 BFED N#Cc1cc(Cl)cc(OC[C@H]2CCCO2)c1 287569293 PQDXXKATCVWBIB-LLVKDONJSA-N 237.686 2.769 30 20 BFED C=CCC(C)(C)C(=O)N(C)CCCSC 292257816 FYXKSSRCZJUUAY-UHFFFAOYSA-N 229.389 2.800 30 20 BFED C=C[C@H](Sc1ccc(OC)cc1)C(=O)OC 300937607 DKHWUUOAUGGMRR-NSHDSACASA-N 238.308 2.515 30 20 BFED C=C[C@H](Sc1cc(C)cc(C)n1)C(=O)OC 300938423 DLCSEABUJMCDKY-JTQLQIEISA-N 237.324 2.518 30 20 BFED C=CC1CCN(c2ccnc(C)c2)CC1 302539969 FQFDNKGEKQBJQM-UHFFFAOYSA-N 202.301 2.792 30 20 BFED CC(C)(C)N/C(N)=N/Cc1cc2ccccc2o1 303871769 GBCZGNSASGGEQK-UHFFFAOYSA-N 245.326 2.636 30 20 BFED CCc1nc(C#N)cc(N[C@@H]2C[C@H]2CC(C)C)n1 308173769 YJXXZKAPGYBNIH-ZYHUDNBSSA-N 244.342 2.757 30 20 BFED CCON=Cc1c(F)cccc1Cl 308295680 HZNSPRQLGZOPIA-UHFFFAOYSA-N 201.628 2.850 30 20 BFED C=CCC[C@H](C)NC[C@H]1CCOC[C@@H]1C 308896571 ZQSSRVMHMDITQX-RWMBFGLXSA-N 211.349 2.603 30 20 BFED Cc1cc(Nc2ccnc(C#N)n2)ccc1F 310157458 OWYLCTLKSYDMSC-UHFFFAOYSA-N 228.230 2.539 30 20 BFED CC(C)N(CCC#N)C(=O)[C@@H]1CC2CCC1CC2 310826921 IGHQEZYYEAPJRA-JXQTWKCFSA-N 248.370 2.963 30 20 BFED N#Cc1cc(F)ccc1N[C@H]1C[C@@H]1C(F)F 334205251 XPJOWYBQQIDJMB-WPRPVWTQSA-N 226.201 2.763 30 20 BFED C[C@@H]1CC[C@H](N(C)CC2(C#N)CCC2)C1 334794156 IWVMOKBEMURJFR-NEPJUHHUSA-N 206.333 2.801 30 20 BFED C=C[C@H](C)NC(=O)[C@H]1CC12CCCCC2 335760602 FCSHEWXOTDIYFF-WDEREUQCSA-N 207.317 2.648 30 20 BFED Cc1cc[nH]c1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 335841618 VTSKOZMZGILMGZ-IINYFYTJSA-N 245.326 2.525 30 20 BFED Cc1ccc(C#N)cc1NC(=O)C[C@@H]1C[C@@H]1C 336002509 HNLJZLFIWMGZJD-JQWIXIFHSA-N 228.295 2.851 30 20 BFED CN(C(=O)C1(C#N)CCC1)[C@H]1CCC(C)(C)C1 336040575 HTFJZQCKGXQLRJ-NSHDSACASA-N 234.343 2.717 30 20 BFED N#Cc1ccc(C(=O)NCc2ccsc2)s1 336412237 WUMHBPUTGWXNJK-UHFFFAOYSA-N 248.332 2.611 30 20 BFED CC(C)CC1(C(=O)N2CCC(C#N)CC2)CCC1 336491679 BGXWDWRERXPXGA-UHFFFAOYSA-N 248.370 2.965 30 20 BFED CC1=C(C(=O)Nc2cccc(C#N)c2)CCC1 336569834 YFLNXDJKPFGLNZ-UHFFFAOYSA-N 226.279 2.997 30 20 BFED C=CCCCCCN1CCC[C@H]1CCO 336698620 OQOXEMUJUSONBO-ZDUSSCGKSA-N 211.349 2.580 30 20 BFED C=CCOCCN1C[C@H](C)CCC[C@@H]1C 339005138 LXRPIBSXEHKWTA-OLZOCXBDSA-N 211.349 2.700 30 20 BFED CC(C)C1(NCc2ccc(C#N)c(F)c2)CC1 339506726 LVRAMSKNUOYTOK-UHFFFAOYSA-N 232.302 2.976 30 20 BFED C=C[C@H](C)NC(=O)c1ccc2c(c1)CCC=C2 341625756 CARBVZGKOYTMSB-NSHDSACASA-N 227.307 2.950 30 20 BFED C=CCCN(C)C(=O)[C@H](CC)OC1CCCC1 342494019 TXBOOWHBHXYGEX-ZDUSSCGKSA-N 239.359 2.759 30 20 BFED C=C1CCN(CCCC(=O)OC(C)(C)C)CC1 343518131 ANAYCFMVQPJNEP-UHFFFAOYSA-N 239.359 2.760 30 20 BFED C=C(C)CCc1noc(C(C)(C)CCOC)n1 349772253 QIDPBYGCLPLXSB-UHFFFAOYSA-N 238.331 2.892 30 20 BFED C=C(C)CCSCc1c([N+](=O)[O-])ncn1C 350781306 NSDBLJJQPNPHJU-UHFFFAOYSA-N 241.316 2.528 30 20 BFED C=C(C)CCN(CC(F)(F)F)[C@H]1CCOC1 351752198 OGNAQGRLOFVFCH-JTQLQIEISA-N 237.265 2.606 30 20 BFED C=CCC(CC=C)c1nc(-c2ncccn2)no1 355843228 OPQXOKHEUGNWSJ-UHFFFAOYSA-N 242.282 2.762 30 20 BFED C[C@H]1CC[C@H](CNC(=O)c2ccc(C#N)s2)C1 358036675 MEARQQOEROCTQS-UWVGGRQHSA-N 248.351 2.786 30 20 BFED C=CCOCCCC(=O)NC[C@H]1CC[C@H](C)C1 358050484 QTVFCVNUIYUSDO-STQMWFEESA-N 239.359 2.522 30 20 BFED C=C(C)[C@H](CC(=O)N1[C@H]2C=CC[C@H]1CC2)OCC 366814647 MRGAECNPYYZYHS-IHRRRGAJSA-N 249.354 2.677 30 20 BFED C/C(=C\Cl)CSCCO[C@@H](C)C#N 379394273 WYKVLUVSQMMTGW-QRJSTWQJSA-N 219.737 2.791 30 20 BFED CC[C@H](C#N)C(=O)N(C)[C@H](C)c1ccccc1 383677887 YDIMWPOFVGBHFN-VXGBXAGGSA-N 230.311 2.756 30 20 BFED C#CCOc1ccccc1CNCCC(=C)C 386746393 FJVQSNCBHIQNEB-UHFFFAOYSA-N 229.323 2.754 30 20 BFED CC(C)C[C@@H]1C[C@H]1C(=O)N(CCC#N)C(C)C 387746462 XTTMOWLLTVHUDO-CHWSQXEVSA-N 236.359 2.819 30 20 BFED CC[C@H](CC#N)N[C@@H]1CCCC12CCC2 394730669 KRVZMGTYDRTPGT-VXGBXAGGSA-N 206.333 2.991 30 20 BFED CCC[C@H](C#N)N(C)C(=O)[C@@H]1CC[C@@H](C)C1 410833086 FVODYJNRLCTARI-IJLUTSLNSA-N 222.332 2.573 30 20 BFED CC(C)(CC#N)CN=c1[nH]c2ccccc2o1 413414568 VDOXKUREYMVULJ-UHFFFAOYSA-N 229.283 2.601 30 20 BFED C=C(C)CCNC(=O)c1cc[nH]c1CCC 421892500 NQBHIGBBLIODGD-UHFFFAOYSA-N 220.316 2.663 30 20 BFED CC[C@H]1CCC[C@@H]1NC(=O)N[C@@H]1CC[C@H](C#N)C1 425465024 MADDZIAYUYESMH-RVMXOQNASA-N 249.358 2.557 30 20 BFED CCC1(CNC(=O)NCCC#N)CCCCC1 426436045 OOGWBURFWOYVLI-UHFFFAOYSA-N 237.347 2.560 30 20 BFED C=CCSCCNC(=O)[C@]1(C)CCC[C@H]1C 448819142 TWUREGONRAMGBO-DGCLKSJQSA-N 241.400 2.848 30 20 BFED C=CCCOCCNCCc1cccc(C)c1 449201542 FAACCMGILVNUGT-UHFFFAOYSA-N 233.355 2.720 30 20 BFED C=CCC1(C(=O)NC[C@@](C)(CC)OC)CCC1 452739257 LQPIEKYJYCSHKY-CYBMUJFWSA-N 239.359 2.664 30 20 BFED C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](C)C(CC)CC 452950216 KYAVUPOKTLDKCP-RTXFEEFZSA-N 239.359 2.518 30 20 BFED C=C(CC)CNC(=O)c1c(F)cccc1F 453022009 RQLGVKWNJPWWSX-UHFFFAOYSA-N 225.238 2.661 30 20 BFED C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[C@@H]1F 458860948 FXSGOBJWXSYNIH-GRYCIOLGSA-N 240.322 2.627 30 20 BFED C[C@H]1C[C@@H]1CN(CCC#N)CC(C)(C)C 488340249 PTFLNSGWHIXKDW-NWDGAFQWSA-N 208.349 2.904 30 20 BFED C=CCn1cccc1C(=O)N(C)[C@@H](C)C1CCC1 488776317 AQCVZXLIKBRKEI-LBPRGKRZSA-N 246.354 2.935 30 20 BFED C#C[C@@H](CC)N[C@H]1CCc2c(cccc2OC)C1 491670318 QRPNXZOLBPYHJJ-KBPBESRZSA-N 243.350 2.554 30 20 BFED C#C[C@H](C)N(C)Cc1cc(C)sc1C 491771939 PNGNNCZXLFYJRM-VIFPVBQESA-N 207.342 2.818 30 20 BFED C#CCN(CC)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 491805622 OOHULKSZDKQMSC-JHJVBQTASA-N 221.344 2.540 30 20 BFED CC(C)C[C@H](C)OC(=O)N(C)C[C@@H](C)C#N 496713780 GHNNYFVLZCODRM-QWRGUYRKSA-N 226.320 2.649 30 20 BFED CCC[C@@H](CNc1cnccc1C#N)OCC 528084532 NUGNJUPKTPYKMX-LBPRGKRZSA-N 233.315 2.570 30 20 BFED Cc1ccc(C#N)c(NCC2CC=CC2)n1 528112107 CSAZESKBLQUNEO-UHFFFAOYSA-N 213.284 2.640 30 20 BFED C=C(C)CN1CCc2nc(C(C)(C)C)ncc2C1 528594897 SJMBIKYXQCUPMM-UHFFFAOYSA-N 245.370 2.708 30 20 BFED CCn1cc(CN(C)CC(C)(C)CCC#N)cn1 536669118 UIUMLCALFRAMPP-UHFFFAOYSA-N 248.374 2.665 30 20 BFED CC#CCCNC(=O)C1(C)CCCCCC1 543605865 XMEYDZMFTYTERU-UHFFFAOYSA-N 221.344 2.877 30 20 BFED C=CCCCCS[C@@H](C)C(=O)N(C)C 568491736 QXEOUEDFKHDLNG-JTQLQIEISA-N 215.362 2.553 30 20 BFED C=CCNC(=O)c1ccc(NC[C@H]2C[C@@H]2C)cc1 571171233 HBZWEABWLLQLMH-WCQYABFASA-N 244.338 2.670 30 20 BFED CC[C@H]1CCCC[C@H]1C(=O)NC(C)(C)C#N 584147622 ZZPRKOMNRJLMBE-WDEREUQCSA-N 222.332 2.621 30 20 BFED Cn1nccc1C(=O)/C=C\c1ccc(F)cc1F 588594501 JJNCAYJKFMLFLQ-HYXAFXHYSA-N 248.232 2.594 30 20 BFED CC(C)CC1(C(=O)N2CC(C#N)C2)CCCC1 590492496 YBNFVDUKZXRPGU-UHFFFAOYSA-N 234.343 2.575 30 20 BFED Cc1ccncc1[C@@H](C)N[C@@H](C)CCC#N 591026617 KEGQQNOHOSFPLB-NWDGAFQWSA-N 217.316 2.733 30 20 BFED CC(C)CCCNC(=O)Nc1cccc(C#N)n1 592269741 CMRUDSRXOCPLJP-UHFFFAOYSA-N 246.314 2.511 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 593408902 ZKXAFIFLTJHUKE-RFQIPJPRSA-N 246.354 2.597 30 20 BFED C=C[C@@H](C)NC(=O)N[C@@H]1CCCC[C@H]1SC 593434355 CHKYQDFONYRLAR-GMTAPVOTSA-N 242.388 2.534 30 20 BFED C[C@H]1CCCCN1C(=O)N(CCC#N)CC1CC1 594448156 DDKUSGHPQMYJMF-LBPRGKRZSA-N 249.358 2.606 30 20 BFED CCO[C@H](C)c1nccn1CC1(CC#N)CC1 594893533 DEAYMPUOMKJZED-LLVKDONJSA-N 233.315 2.674 30 20 BFED CC1(C#N)CN(CC[C@@H]2CCc3ccccc32)C1 595467987 WKNRPRDTLMJEFG-AWEZNQCLSA-N 240.350 2.952 30 20 BFED CCN(CCCOc1ccccc1C)[C@@H](C)C#N 595813859 PITUTRSMSHNKFA-AWEZNQCLSA-N 246.354 2.998 30 20 BFED CO[C@H](CNc1ccc(C#N)nc1)C1CCCC1 596525433 JUOARSMYIGRDQF-CQSZACIVSA-N 245.326 2.570 30 20 BFED CCN(C(=O)c1cccc(C2CC2)c1)[C@H](C)C#N 598349419 KFVYTFMPLWJLFP-LLVKDONJSA-N 242.322 2.938 30 20 BFED C[C@H](C#N)CN(C)CC(C)(C)Oc1ccccc1 602448072 RPHHAWZKUMNZBY-CYBMUJFWSA-N 246.354 2.935 30 20 BFED C=CCCC(C)(C)NCc1cccc(C#N)n1 602717987 SAYKOPAPHMEKNK-UHFFFAOYSA-N 229.327 2.788 30 20 BFED C=CCCC(C)(C)NC(=O)[C@@H]1[C@H]2CCC[C@H]21 620859116 WXUDRTACPLBOQZ-GDNZZTSVSA-N 221.344 2.894 30 20 BFED C=CCC[C@@H](CC)N[C@H]1CC[C@H](CN)CC1 635005274 ITLBVXNHXADXCW-MGPQQGTHSA-N 224.392 2.838 30 20 BFED C=CC[C@@H]1CCCN([C@H](CC(C)C)C(=O)O)C1 656759327 CLIUWHXDHMQVNB-CHWSQXEVSA-N 239.359 2.774 30 20 BFED C=CCCNC(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 661570472 NRNWOCWNZUWMQJ-GRYCIOLGSA-N 224.348 2.686 30 20 BFED C=CCC[C@H](NCc1ccnn1CC)C1CC1 663469054 ZKJSOIOHXMRQKW-AWEZNQCLSA-N 233.359 2.737 30 20 BFED CC(=O)c1ccnc(NCC(C)(C)CC#N)c1 664003848 NPLGIXYKCXERPW-UHFFFAOYSA-N 231.299 2.636 30 20 BFED C=CC[C@H]1CCCN(C(=O)Nc2ncc(C)o2)C1 666225185 BAVRDBKKUPPCTI-NSHDSACASA-N 249.314 2.803 30 20 BFED CC#CCNC(=O)c1ccc(CCCC)cc1 677813249 LMEGATUQCLMVIL-UHFFFAOYSA-N 229.323 2.782 30 20 BFED C#C[C@H](NC(=O)CCC(C)(C)C)C(C)(C)C 702251305 UDUCHHHAAFMOFY-NSHDSACASA-N 223.360 2.977 30 20 BFED C#CCCCOC(=O)Cc1ccc(C)c(C)c1 727040884 XMPYHYZWGLZPEG-UHFFFAOYSA-N 230.307 2.803 30 20 BFED Cc1ccc2[nH]c(C(=O)O[C@H](C)C#N)cc2c1C 735160098 WQFFBLCTYREZCM-SECBINFHSA-N 242.278 2.854 30 20 BFED C=CCCCCCN(C)c1ccc(C(=O)O)cn1 737527928 VOEOLRQGUAIJLQ-UHFFFAOYSA-N 248.326 2.962 30 20 BFED CCCCCCCN(CC)CCOC 740876154 NTENUXRQVFTUAU-UHFFFAOYSA-N 201.354 2.925 30 20 BFED O=[N+]([O-])c1ccc(NN=CC2CCCC2)nc1 741839803 SHIBVUZVFPKAQT-UHFFFAOYSA-N 234.259 2.578 30 20 BFED C=C(C)COC(=O)[C@@H](C)c1ccc(C)o1 744040331 HLDGBJSYPGMRAU-JTQLQIEISA-N 208.257 2.811 30 20 BFED CCCCNN=C1C[C@](C)(OC)C1(C)C 746564515 ITRXIDSARCQXSG-LBPRGKRZSA-N 212.337 2.567 30 20 BFED Cc1cccc2c1CCN(c1ccc(C#N)nc1)C2 750025990 BZXXRYDWYMKNOC-UHFFFAOYSA-N 249.317 2.824 30 20 BFED C#CCN(CC)CCCSCC(C)C 751998961 HECHQHSDKMSIGV-UHFFFAOYSA-N 213.390 2.721 30 20 BFED C#CC(=O)N1CCC[C@H]1[C@@H](CC)c1ccccc1 753982530 UYUSJLSKKUEKLY-GJZGRUSLSA-N 241.334 2.804 30 20 BFED C#CC(=O)N[C@H](C)c1cc2ccccc2s1 754020829 JVCUCPGQNSHORH-SECBINFHSA-N 229.304 2.712 30 20 BFED C#C[C@@H](CC)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 754390171 QPIXMNXEBMXIGC-IHRRRGAJSA-N 235.371 2.977 30 20 BFED C=C(C)[C@H](C)OC(=O)c1cc(C)cc2c[nH]nc12 755994590 DUBYGJLVEOUICC-JTQLQIEISA-N 244.294 2.993 30 20 BFED C#CCN(C(=O)N[C@@H]1CCCC[C@H]1CC)C1CC1 764684853 ONCGEATUXMCMOK-TZMCWYRMSA-N 248.370 2.762 30 20 BFED C#CCCCN1CCCc2cccc(F)c21 766907033 OBWJGUHLVFHOCB-UHFFFAOYSA-N 217.287 2.992 30 20 BFED CCOc1ccc(CN(CC)CCC#N)c(O)c1 768245319 NVRHRSCNQFRUNU-UHFFFAOYSA-N 248.326 2.526 30 20 BFED CCCc1cccc(C=NOCCOC)c1 774387965 MAZYAFHHMMTBII-UHFFFAOYSA-N 221.300 2.636 30 20 BFED C=CCCC[C@H](C)NC(=S)NC(C)C 776203917 SPXQEXBQTUDVCQ-JTQLQIEISA-N 214.378 2.604 30 20 BFED COC[C@@H](C)NN=C1CC(C)(c2ccccc2)C1 777903391 ZPJKECCELJRXSK-KEKZHRQWSA-N 246.354 2.719 30 20 BFED CC(C)CNN=Cc1cnc(-c2ccco2)s1 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246.354 2.558 30 20 BFED OC1(CC#Cc2cccs2)CCCC1 616581047 CFMUIENUCTUWFH-UHFFFAOYSA-N 206.310 2.795 30 20 BFED C=CCCNC(=O)c1ccc(C)nc1C(C)C 617611849 UDNKZFFTGUARTE-UHFFFAOYSA-N 232.327 2.819 30 20 BFED C=C[C@@H]1CCCCN1c1cc(C)c([N+](=O)[O-])cn1 618687012 BEDULCHLCQATGX-LLVKDONJSA-N 247.298 2.843 30 20 BFED C=CCC[C@H](C)Nc1cnn(CCF)c1 624127962 WGFSTGROSPOGTC-JTQLQIEISA-N 211.284 2.619 30 20 BFED C=C[C@@H](C)Nc1ncc(Cl)c(OCC)n1 651328127 QIXWGEBDLZVKQA-SSDOTTSWSA-N 227.695 2.515 30 20 BFED CC[C@@H](C#N)C(=O)Nc1ccc(F)c(C(C)=O)c1 652094459 HBBPWKWWJQOMRS-VIFPVBQESA-N 248.257 2.517 30 20 BFED C=CCCC(C)(C)NCc1cccnc1 657805157 MAMSLBRBFDHQEN-UHFFFAOYSA-N 204.317 2.916 30 20 BFED CCC#C[C@@H](C)N1CCc2ccccc2C1 677476602 WGUYVOIALRUOPZ-CYBMUJFWSA-N 213.324 2.847 30 20 BFED C#CCCCCC(=O)N[C@@H]1C[C@]1(C)C(C)C 692905028 CLXCGLSGNGYVFU-TZMCWYRMSA-N 221.344 2.731 30 20 BFED CCN(CC)C[C@H](C)N[C@@H](C)CC(C)(C)C#N 695840485 BSVWLNMFQVUAGY-STQMWFEESA-N 239.407 2.635 30 20 BFED CCCCNN=C(C)c1ccc(O)cc1F 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2.619 30 20 BFED C#Cc1cnc(NC[C@@H]2CCC[C@@H](C)C2)nc1 827446928 KXCDNFUARLSUCV-DGCLKSJQSA-N 229.327 2.696 30 20 BFED O=C(/C=C\c1ccc(C(=O)O)[nH]1)c1ccsc1 833094506 IVZZVWWAWWNMJD-RQOWECAXSA-N 247.275 2.671 30 20 BFED C[C@@H]1CC(=NNc2ccc3[nH]ncc3c2)[C@@H](C)O1 834973918 PRHVRRQWTBQYKX-RKDXNWHRSA-N 244.298 2.528 30 20 BFED C#CCNN=Cc1ccc(C(F)(F)F)cc1C 835009017 SXBABFYLZXLACI-UHFFFAOYSA-N 240.228 2.571 30 20 BFED C=CCC[C@@H](C)OC(=O)c1cc(Cl)n(C)n1 835269092 VVIIUQLDVWCANB-MRVPVSSYSA-N 242.706 2.585 30 20 BFED C=CC(C)(C)COC(=O)[C@@H](C)[C@H](C)COC 835722111 NSSXFAWAETVSDT-MNOVXSKESA-N 228.332 2.660 30 20 BFED C=CC(C)(C)COC(=O)CC[C@H]1CCOC1 835725384 ZMGNHCLIDXYHLA-NSHDSACASA-N 226.316 2.559 30 20 BFED C#CCCCCCC(=O)NC[C@@H]1C[C@H]1C(C)C 836915336 MFCVUQYQQVDLAF-KBPBESRZSA-N 235.371 2.978 30 20 BFED CN(C(=O)C#CC1CC1)[C@@H]1CCc2ccccc21 837325686 FLLGQUYKZJBDFQ-OAHLLOKOSA-N 239.318 2.546 30 20 BFED CCC(CC)N(C(=O)C#CC1CC1)C1CC1 837388909 RWSLWMBZRGWAIP-UHFFFAOYSA-N 219.328 2.579 30 20 BFED 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YAWSJPPBUWOSRZ-JTQLQIEISA-N 212.337 2.686 30 20 BFED C=CC[C@H](CC)NC(=O)N1CC[C@H]1C(C)C 466321650 ZDGRBIALCIJSTJ-RYUDHWBXSA-N 224.348 2.781 30 20 BFED C=CCN(CCOC)C[C@H]1CCCC[C@H]1C 483422186 QAEXLPNPLZKELH-ZIAGYGMSSA-N 225.376 2.947 30 20 BFED CC#CCCNC(=O)N1CCC[C@H](CCC)C1 483425864 APXUVBDPFLPVSG-ZDUSSCGKSA-N 236.359 2.622 30 20 BFED C=CCN(C)c1ncncc1-c1ccccc1 489918084 LXMGOVDYACVPMH-UHFFFAOYSA-N 225.295 2.766 30 20 BFED C#C[C@@H](C)N(C)C(=O)[C@H](c1ccccc1)C1CC1 491451000 CYROFYNWYVMLRZ-IUODEOHRSA-N 241.334 2.660 30 20 BFED C#C[C@@H](CC)NC(=O)C(C)(C)CC(C)C 491727776 LSTKCWFAALXDHH-NSHDSACASA-N 209.333 2.587 30 20 BFED C#C[C@H](C)N(C)C(=O)c1ccc(C(C)C)nc1C 491775051 DGGWRVFCEMNNGY-NSHDSACASA-N 244.338 2.607 30 20 BFED CC#CCN=c1cc(C(C)C)nc(C(C)C)[nH]1 491901345 ZTRQLEHUQNKXQU-UHFFFAOYSA-N 231.343 2.581 30 20 BFED C=C[C@@H]1CCCCN1C(=O)NCCC(C)C 492039303 BRDDDDCCTYNMAE-GFCCVEGCSA-N 224.348 2.783 30 20 BFED C=CCC1(NC(=O)[C@@H]2CCC(=O)C2)CCCCC1 518775442 PSYIVQRPELRSMB-GFCCVEGCSA-N 249.354 2.751 30 20 BFED C[C@H]1CCC[C@]1(O)c1cccc(C#N)c1 521401776 OYCXERHTPDZLNM-GXFFZTMASA-N 201.269 2.566 30 20 BFED CC#CCN1CCc2ccccc2C1(C)C 552678597 UHAUSIBHQMABAW-UHFFFAOYSA-N 213.324 2.803 30 20 BFED C=CCCCCCN(C)C(=O)CCNC(C)C 566066808 NNLXDEFQRCRHIP-UHFFFAOYSA-N 240.391 2.579 30 20 BFED COCc1cccc(Cn2cc(C)c(C#N)c2)c1 570242416 GCNAMNKNQFHDQE-UHFFFAOYSA-N 240.306 2.863 30 20 BFED COC[C@H](C)Sc1cccc(F)c1C#N 572304022 CMEVKMRJVBMTMV-QMMMGPOBSA-N 225.288 2.824 30 20 BFED CC[C@H](CC(=O)Nc1cccc(C#N)n1)C(C)C 573849777 NPLMBERFBGFJLF-LLVKDONJSA-N 245.326 2.964 30 20 BFED CC(C)=CCC[C@@H](C)Nc1cc(C#N)ncn1 574031194 ZXVNTWCSLAPAQG-LLVKDONJSA-N 230.315 2.895 30 20 BFED COC(=O)C[C@H](C)S[C@H](C#N)c1ccccc1 577410545 ACZCEULEGOXQMQ-CMPLNLGQSA-N 249.335 2.936 30 20 BFED C=CCCCC[C@H](C)N[C@H]1CO[C@H](C)C1 578531329 BOAMVXUAQBENFC-YNEHKIRRSA-N 211.349 2.888 30 20 BFED C=C1CCN(C(=O)CCCCCC#N)CC1 588351027 MFAMSAQBYSUMSQ-UHFFFAOYSA-N 220.316 2.639 30 20 BFED CC(C)(C#N)CCCON=C1CCCOCC1 588398771 WBUMACNETQYGDM-UHFFFAOYSA-N 238.331 2.889 30 20 BFED N#CCCCSCc1cc2n(n1)CCCC2 593198558 DZCHVHZKANJFHM-UHFFFAOYSA-N 235.356 2.756 30 20 BFED CCC[C@@H]1CCCN(C(=O)[C@H](C#N)CC)C1 593518561 SDGIGJBLKILPBR-NEPJUHHUSA-N 222.332 2.575 30 20 BFED N#Cc1cnnc(N2CC3(CC3)c3ccccc32)c1 596135627 XVEUOOZLZQJLOW-UHFFFAOYSA-N 248.289 2.532 30 20 BFED CC(C)(C)OCCCNc1ncccc1C#N 596463238 YOYIDNFNIAHDLM-UHFFFAOYSA-N 233.315 2.570 30 20 BFED C[C@@H]1CCCC[C@@H]1C(=O)N(C1CC1)[C@H](C)C#N 598137052 KQTIPVAPPOUEBE-WZRBSPASSA-N 234.343 2.716 30 20 BFED CC1(C)C[C@]1(C)NC(=O)c1ccc(C#N)s1 598384830 GCZUYSYWBQGNIG-LBPRGKRZSA-N 234.324 2.538 30 20 BFED CC1CCC(N(C)Cc2cccc(C#N)n2)CC1 602432424 LEEMIZGFDVZSKZ-UHFFFAOYSA-N 243.354 2.964 30 20 BFED C[C@H](C#N)CNc1cc(C(C)(C)C)ccn1 603303020 NYTQVAIUVGOAOT-SNVBAGLBSA-N 217.316 2.951 30 20 BFED COCCS[C@@H](C#N)Cc1ccccc1 610340155 MOAXMJZLERYRFN-GFCCVEGCSA-N 221.325 2.501 30 20 BFED C[C@@H]1CCC[C@H]1Nc1nc2ccccn2c1C#N 611751168 ZKTRIJZFMLWYRJ-GHMZBOCLSA-N 240.310 2.806 30 20 BFED Cc1nc(CN2CCC[C@@](C)(C#N)C2)cs1 612165538 QCURRUHHFQUMPG-LBPRGKRZSA-N 235.356 2.577 30 20 BFED CCc1noc(CSCCC(C)(C)C#N)n1 616298284 BFKMOBJGUBUWMR-UHFFFAOYSA-N 239.344 2.805 30 20 BFED C=C[C@@H](C)NCc1cc(COC)cs1 657393448 UAYBWABTKAPOJX-SECBINFHSA-N 211.330 2.559 30 20 BFED C=CC[C@@H]1CCCN(CCCn2ccnc2C)C1 661381501 MIBYWGFBXGKKTF-OAHLLOKOSA-N 247.386 2.870 30 20 BFED C=C(C)CCNc1cc(Br)cnn1 663966203 SIXDDUWXFPIASM-UHFFFAOYSA-N 242.120 2.617 30 20 BFED C=CCN(C(=O)[C@H](C)c1ccco1)C1CC1 678499361 BICMYDAYWDPLBR-SNVBAGLBSA-N 219.284 2.560 30 20 BFED COc1ccc(COCCON=C2CCC2)cc1 735489769 FHPUGXAQOHTNOM-UHFFFAOYSA-N 249.310 2.768 30 20 BFED CCCCCNC(=S)NN=C(CC)C1CC1 741162553 ABZFVWJMWIMNTE-UHFFFAOYSA-N 241.404 2.817 30 20 BFED CCC(=NNc1cccc(OC)c1)[C@H]1CCOC1 741848666 YAFXQQVFTIPMMG-NSHDSACASA-N 248.326 2.910 30 20 BFED C=C(C)CCOC(=O)c1cncnc1C(C)C 744299473 BZZFCYPBLKKEFP-UHFFFAOYSA-N 234.299 2.723 30 20 BFED CC#CCOC(=O)[C@H](C)CSc1ccccc1 745001585 CIGGIZRXUKAELZ-GFCCVEGCSA-N 248.347 2.981 30 20 BFED C=CC[C@H](NC(=O)[C@@H](C)C1CC1)c1ccncc1 747908479 VKSDFHJWKKWDNM-FZMZJTMJSA-N 244.338 2.861 30 20 BFED CC(=NNc1ccc(C#N)cc1)c1ccoc1 755893687 YSYKAGRXXOJJJW-UHFFFAOYSA-N 225.251 2.987 30 20 BFED C[C@@H](C#N)OC(=O)c1cc(F)cc(Cl)c1 757115699 RJYISOTVALNJKB-LURJTMIESA-N 227.622 2.548 30 20 BFED CCC(=NNC1CCOCC1)c1ccc(C)cc1 757585717 PSRJMAACJUNATO-UHFFFAOYSA-N 246.354 2.878 30 20 BFED C[C@@H](NCCCC#N)c1cc(F)cc(F)c1O 757653853 JYEKTVYYYXYUGY-MRVPVSSYSA-N 240.253 2.625 30 20 BFED C#CCCCC(=O)Oc1cccc2[nH]ccc12 759543082 WWJFGUAQXUIHFZ-UHFFFAOYSA-N 227.263 2.877 30 20 BFED CO[C@@H](C)C(C)=NNCc1cccc(Cl)c1 763180581 YFDGPYOGOCXJRO-JTQLQIEISA-N 240.734 2.840 30 20 BFED C#C[C@@H](C)N(C)Cn1ccc(-c2ccsc2)n1 766666002 NKVURWBUFWDBIG-LLVKDONJSA-N 245.351 2.523 30 20 BFED CC(C)CNN=Cc1c[nH]c2cccc(F)c12 771567111 NHPOMIBPHWFJJC-UHFFFAOYSA-N 233.290 2.887 30 20 BFED C#C[C@H](N[C@H](C)CC1CCCC1)[C@@H]1CCCO1 775574505 PWNKBIVMKXYZQK-SNPRPXQTSA-N 235.371 2.726 30 20 BFED Cc1cccc(C)c1NC(=S)NCCCC#N 783756548 JHCVLDPKNYMNBO-UHFFFAOYSA-N 247.367 2.894 30 20 BFED C#CCCc1noc([C@H](C)N2[C@@H](C)CC[C@H]2C)n1 785583151 CDVBWDJYEVLRRI-TUAOUCFPSA-N 247.342 2.569 30 20 BFED C=C[C@H]1CCCCN1C(=O)NOC1CCCC1 787305031 VCEJJLAXCCOIDA-NSHDSACASA-N 238.331 2.611 30 20 BFED CC1(C)CCC1=NNc1ccc(C(=O)O)cc1 788930510 BHXYZHZQVYSLAP-UHFFFAOYSA-N 232.283 2.973 30 20 BFED C=CCNN=C1C[C@@H](OCC)C1(CC)CC 794998618 OVUFUWVACYXMGQ-GFCCVEGCSA-N 224.348 2.733 30 20 BFED C=CCNN=Cc1ccccc1OC(C)C 795003204 GMQGADBYIFARHV-UHFFFAOYSA-N 218.300 2.583 30 20 BFED COCCCON=Cc1cc(Cl)cs1 795048724 RTFQBHLMIPEZJR-UHFFFAOYSA-N 233.720 2.789 30 20 BFED C#C[C@H](C)NC(=O)Nc1ccc(F)c(CC)c1 806555353 CLFCJXLZAGVZTD-VIFPVBQESA-N 234.274 2.531 30 20 BFED C#C[C@H](CC)NC(=O)Nc1ccc(F)c(CC)c1 806560573 OSQPSMXNUVEVJE-LLVKDONJSA-N 248.301 2.921 30 20 BFED CC(C)CCCOC(=O)c1cc(O)cc(C#N)c1 811187726 NAVMYTJGEHDWOQ-UHFFFAOYSA-N 247.294 2.857 30 20 BFED Cc1cc(C=NOC/C=C\Cl)c(C)[nH]1 811672356 XARHKFKTXXBZEK-DFMYPLMMSA-N 212.680 2.735 30 20 BFED C(=NOC1CCC1)c1nc(-c2ccccc2)no1 812238248 PONPUYHSTSZWNV-UHFFFAOYSA-N 243.266 2.640 30 20 BFED C=CCCCCOC(=O)[C@@](C)(OC)C1CC1 813101124 QWXBVOOTCAEOGD-ZDUSSCGKSA-N 226.316 2.701 30 20 BFED CC#CC(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 813783573 WLNMZPDLOOLLIB-NEPJUHHUSA-N 221.344 2.683 30 20 BFED C[C@H]1CCC(=NNc2ccccc2C(=O)O)C1 814768683 IJBYWIGXCCDSHY-VIFPVBQESA-N 232.283 2.973 30 20 BFED COC(=O)c1ccc(NN=CCCC(C)C)nc1 814888925 VMXSBTGKBNIMOZ-UHFFFAOYSA-N 249.314 2.702 30 20 BFED CCC(=NOC1CCOCC1)c1ccco1 814907435 JGCHFGNYBYBFOD-UHFFFAOYSA-N 223.272 2.589 30 20 BFED COCCCON=Cc1ccc(SC)s1 814931498 ISGYAHGSNOIJSC-UHFFFAOYSA-N 245.369 2.857 30 20 BFED C=CCC(F)(F)C(=O)NCC(C1CC1)C1CC1 815717652 WPDBRFMVBBBXJV-UHFFFAOYSA-N 243.297 2.750 30 20 BFED CC(C)C(NC(=O)c1ccc(C#N)o1)C(C)C 815839786 FUHDLMDJDYBGLO-UHFFFAOYSA-N 234.299 2.562 30 20 BFED CC(C)(C)C#CC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 817622796 YSKQVMQIGKOPKO-IHRRRGAJSA-N 245.366 2.754 30 20 BFED CCCCC(COC)=NN[C@@H](C)c1ccncc1 819815452 QRPONZHBRLPNER-LBPRGKRZSA-N 249.358 2.925 30 20 BFED C=CCN(C)CC[C@H]1CC1(Cl)Cl 822875204 LGXVXELJVSWDEY-QMMMGPOBSA-N 208.132 2.688 30 20 BFED C#C[C@@H](C)N(C)Cc1cccc(C)c1F 824297093 PMHMIVGLTUKJKB-LLVKDONJSA-N 205.276 2.588 30 20 BFED C#C[C@@H](CCC)NC(=O)c1c(C)cc(F)cc1C 834363292 AQYZBJONLCMVPS-ZDUSSCGKSA-N 247.313 2.974 30 20 BFED C#Cc1cccc(CN[C@@H]2CCC2(C)C)c1 834903971 UKOZHDMYRWTKJF-CQSZACIVSA-N 213.324 2.946 30 20 BFED Cc1cc(C)c(C=NN[C@@H](C)C(F)(F)F)[nH]1 835001621 OYOXIEFJNMMYMI-QMMMGPOBSA-N 233.237 2.506 30 20 BFED CC[C@H]1CCC[C@@H]1C(=O)OC1(C#N)CCC1 835212191 LYWULFSQVYHLDX-QWRGUYRKSA-N 221.300 2.802 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](C=C)C(C)(C)C 835392047 VLDAWPSDVMFOCG-GRYCIOLGSA-N 238.327 2.721 30 20 BFED C=CC(C)(C)COC(=O)CCCOC(C)C 835723122 NZQOORUNKRBPCX-UHFFFAOYSA-N 228.332 2.947 30 20 BFED Cc1cc(C)cc(NC(=O)C#CC2CC2)c1 837308970 USZANPXGWCVIOW-UHFFFAOYSA-N 213.280 2.655 30 20 BFED CC(C)(C)C#CC(=O)N(CCC#N)CC(C)(C)C 837399915 ZLUAKYDDKMDCDF-UHFFFAOYSA-N 248.370 2.824 30 20 BFED CC(C)(C)C#CC(=O)N[C@@H]1CCCC1(C)C 837453426 CDTSXQYDKQLDSM-LLVKDONJSA-N 221.344 2.731 30 20 BFED CC1(C)CN(C(=O)C#CC2CC2)c2ccccc21 837464576 JKUFANJULBGGJC-UHFFFAOYSA-N 239.318 2.724 30 20 BFED C[C@@H]1CC(C)(C)CN1C(=O)C#CC(C)(C)C 840531828 RNEHVFKWVPCUKX-LLVKDONJSA-N 221.344 2.683 30 20 BFED C=CC(C)(C)C(=O)Oc1cccc(OCC#N)c1 841344832 ZHWMCORKDVSNAQ-UHFFFAOYSA-N 245.278 2.707 30 20 BFED CC(C)(C)CCNN=C1COC(C)(C)C1 841633440 WKBHXKMNYTYHPX-UHFFFAOYSA-N 212.337 2.567 30 20 BFED C=CCCCCCCNC(=O)[C@H](CC)[C@@H](C)O 842267689 HUIYQAQWHCRJPS-CHWSQXEVSA-N 241.375 2.646 30 20 BFED CC(=NN[C@H]1CCCOC1)[C@@H]1C[C@H]2C=C[C@H]1CC2 842531969 UHHOBXVPZXIELY-AJNGGQMLSA-N 248.370 2.733 30 20 BFED C=C(C)CONC(=O)c1cc(C)ccc1C 846540560 AXECIKVXVNMNPO-UHFFFAOYSA-N 219.284 2.541 30 20 BFED CC(=NOCC1CCC1)c1coc(C)n1 853440844 KDNSBCNXYAJERC-UHFFFAOYSA-N 208.261 2.524 30 20 BFED CC(C)OC1CC(=NOCC2CCC2)C1 853440994 MOGLGFRUCIJAPY-UHFFFAOYSA-N 211.305 2.747 30 20 BFED C=C(Cl)CS[C@@H](C)C(=O)N(CC)CC 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CCC#CCOC(=O)/C=C(/C)c1ccco1 893843069 HHRTXCAKZPDAEV-KHPPLWFESA-N 218.252 2.640 30 20 BFED C#CCSCc1nc(-c2cc(C)oc2C)no1 896258357 LJADAWOWBXLHCZ-UHFFFAOYSA-N 248.307 2.813 30 20 BFED CCCCCCCOc1ccncc1C(N)=O 902572229 GKLYZWVGQFLMMG-UHFFFAOYSA-N 236.315 2.530 30 20 BFED C=CCCCS(=O)(=O)N1[C@H](C)CCC1(C)C 903145473 GCAUUGIHCAXZRS-LLVKDONJSA-N 245.388 2.545 30 20 BFED CCCCN(O)C(=O)CC1CCC(OC)CC1 904211858 FJUWNCYCFLESCE-UHFFFAOYSA-N 243.347 2.600 30 20 BFED CCCCN(O)C(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21 904215589 FWOKDCXODNPFEM-HZSPNIEDSA-N 245.322 2.590 30 20 BFED C=CCn1cc(-c2ccc(C(C)(C)O)cc2)cn1 904771074 HPSDSUNTLAJATC-UHFFFAOYSA-N 242.322 2.964 30 20 BFED CCCCCNC(=O)c1ccsc1C#N 905018638 PWRUZDCYYHVKOG-UHFFFAOYSA-N 222.313 2.540 30 20 BFED C=CC[S@](=O)[C@H](C)c1cccc(C)c1 905191735 WQQVKJMDEGZRBQ-RISCZKNCSA-N 208.326 2.991 30 20 BFED C=CC[S@](=O)Cc1ncccc1C(F)(F)F 905196487 KVJHJEDJSLCVMU-INIZCTEOSA-N 249.257 2.535 30 20 BFED C=C(C)CCc1noc(-c2cccnc2OC)n1 906115033 DWBWVYLCZMYURE-UHFFFAOYSA-N 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224.348 2.665 30 20 BFED C[C@@H](NN=C1CCC(C(=O)O)CC1)C(C)(C)C 814938244 HYRCRMHDFTUSSI-YHMJZVADSA-N 240.347 2.641 30 20 BFED C[C@H](CC(C)(C)C#N)N[C@H]1CCN2CCC[C@@H]2C1 829179135 KDZXHGHPKZRSRM-HZSPNIEDSA-N 249.402 2.531 30 20 BFED CC[C@@H]1[C@@H](C)CCN1C(=O)C#Cc1cccs1 829797236 AZUOBAOEWBPDON-WCQYABFASA-N 247.363 2.747 30 20 BFED C#CCCc1noc([C@]2(C)CC=CCC2)n1 834585216 JKCQPABWFRCRAH-CYBMUJFWSA-N 216.284 2.633 30 20 BFED CC1(C)CCC[C@@H]1NN=Cc1ccncc1F 834978580 VVAMHITZBHAKGQ-LBPRGKRZSA-N 235.306 2.723 30 20 BFED C[C@H](NN=C[C@@H]1C[C@H]2CC[C@H]1C2)C(F)(F)F 834997692 ICMHRIXCOLMAEA-XKNYDFJKSA-N 234.265 2.949 30 20 BFED C#CCNN=C1CCC(C(C)(C)C)CC1 835007709 XGHONCSBYFTSGO-UHFFFAOYSA-N 206.333 2.802 30 20 BFED CC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1ccncn1 835304939 YQWGVENGMJZQBE-NEPJUHHUSA-N 245.326 2.725 30 20 BFED C#CCC(C)(C)C(=O)OCC1CC(F)(F)C1 835484890 GBJUZTLKYOXEKA-UHFFFAOYSA-N 230.254 2.624 30 20 BFED C=C[C@@H](C)NC(=O)N1CCCCCCCC1 836357531 KMNFTWXSHRSNMF-GFCCVEGCSA-N 224.348 2.927 30 20 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240.416 2.948 30 20 BFED C#CCCCC(=O)Nc1ccc2nc(C)[nH]c2c1 757916868 WTBCWMVVSZGCLE-UHFFFAOYSA-N 241.294 2.613 30 20 BFED C[C@@H]1C[C@H]1C=NNc1ccccc1[N+](=O)[O-] 758358043 DLKSDBUSFDSFKL-BDAKNGLRSA-N 219.244 2.649 30 20 BFED C=C[C@@H](CC(=O)O[C@H](C)COC)c1ccccc1 759345159 RDCKISYEQCZRMB-OLZOCXBDSA-N 248.322 2.924 30 20 BFED CC(=NNc1cnn(C)c1)C1CCCCC1 761861094 UYZMIRWFCAWLIJ-UHFFFAOYSA-N 220.320 2.788 30 20 BFED Cc1nc(C)c(C=NOCC(F)(F)F)s1 764839553 KBVSORAUWKZMIV-UHFFFAOYSA-N 238.234 2.673 30 20 BFED CCCCCCCN1C[C@@H](C)N(C)C[C@@H]1C 768767801 AXQHSCXHCRTALT-KGLIPLIRSA-N 226.408 2.981 30 20 BFED C[C@@H](C#N)CNN=C1CCC(C)(C)CC1 771111293 GVJXVDLGUWOQTM-JTQLQIEISA-N 207.321 2.692 30 20 BFED CCCCCCCCNC(=O)[C@@](C)(O)C(C)C 771435691 HCOPAZJOXIQZIP-AWEZNQCLSA-N 243.391 2.870 30 20 BFED C#C[C@H](C)NC(=O)NCC1(C)CCCCCC1 773604608 QIRUCTUNMLUJLP-LBPRGKRZSA-N 236.359 2.668 30 20 BFED C#C[C@@H](NCc1ccc(CC)cc1)[C@H]1CCCO1 775343671 XGLBXOWFGGNRPU-HZPDHXFCSA-N 243.350 2.519 30 20 BFED CC(C)OCCNN=C1CCC[C@H](C2CC2)C1 778550746 PPBKRKIDWIBIBY-ZDUSSCGKSA-N 238.375 2.957 30 20 BFED Cc1ccc(C)c(C=NN=c2cc[nH]cc2)c1 779809528 KJRQXNTUXCYBDF-UHFFFAOYSA-N 225.295 2.566 30 20 BFED CC[C@@H]1C[C@H](C)CCC1=NN[C@@H]1CCCOC1 780262539 ORJMBPIAQOFNCJ-JHJVBQTASA-N 238.375 2.957 30 20 BFED C=CCCCOC(=O)c1csnc1C 781272836 HPDFBCHYDBUPFR-UHFFFAOYSA-N 211.286 2.575 30 20 BFED C#CCC1(C(=O)O[C@@H](C)COC)CCCCC1 784897301 UWIZEROJDCVKES-LBPRGKRZSA-N 238.327 2.538 30 20 BFED C=C(CC)COC(=O)/C=C/c1cncc(F)c1 785849269 CZVGRWSLZOPEAT-SNAWJCMRSA-N 235.258 2.743 30 20 BFED CC(=NN=C1CCC2(CC1)CC2)c1cnccn1 792636476 ZEWZHUQQUWYASE-UHFFFAOYSA-N 242.326 2.996 30 20 BFED C#CCCCNC(=O)N(CC1CCC1)CC1CC1 793060758 DCVCCCKOASIGTR-UHFFFAOYSA-N 248.370 2.622 30 20 BFED CC[C@@H](C)CON=Cc1cnccc1C 793146472 SSUQVDJNHYGZKI-SNVBAGLBSA-N 206.289 2.787 30 20 BFED COCCCON=Cc1ccc(C)c(C)c1 795042042 MOJKSWLNXVVEBH-UHFFFAOYSA-N 221.300 2.690 30 20 BFED CC(C)(C)CCNN=C1CCC12CCOCC2 799884705 RQSPDXZVAUZWSQ-UHFFFAOYSA-N 238.375 2.959 30 20 BFED C[C@H](C=NNc1ncccn1)C(C)(C)C 800810059 KDHHJQKVPHQXBV-SECBINFHSA-N 206.293 2.557 30 20 BFED CCCC[C@@H]1CCC[C@@H]1NCCO[C@@H](C)C#N 801941217 KEKIIUJHPVQROE-MJBXVCDLSA-N 238.375 2.864 30 20 BFED Cc1cccc(OCCO[C@H](C)C#N)c1Cl 802734062 IGZHVBYTTUHERM-SNVBAGLBSA-N 239.702 2.956 30 20 BFED CC(C)C[C@H](C)COC(=O)c1cnccc1C#N 805719497 VJDUFZSGQFWMCQ-NSHDSACASA-N 246.310 2.792 30 20 BFED C(=NN[C@H]1CCSC1)c1ccc2occc2c1 807999843 BWQQVNOLXUKWRW-LBPRGKRZSA-N 246.335 2.862 30 20 BFED COc1ccccc1C(C)=NOC1CCC1 812237225 QDHHZGMJFYUKBN-UHFFFAOYSA-N 219.284 2.988 30 20 BFED C#CCOCSc1ncc(-c2ccccc2)[nH]1 814740226 JISGQPNQLWRLNZ-UHFFFAOYSA-N 244.319 2.776 30 20 BFED CCc1nocc1C=NN[C@H]1CCCC1(C)C 814916694 CPDMVZMRRIQAAO-LBPRGKRZSA-N 235.331 2.739 30 20 BFED CCOc1ccc(NN=C2CCO[C@@H]2C)cc1 814984858 WJACPVJEGAZIAO-SNVBAGLBSA-N 234.299 2.662 30 20 BFED C=CCOCCOC(=O)C(C)(C)C1CCCC1 815223992 KTCMGOVRWWRNOH-UHFFFAOYSA-N 240.343 2.949 30 20 BFED Cc1cc(C#N)cnc1C(=O)O[C@H]1C=CCCC1 815341062 YSRIELCNKYGOJI-LBPRGKRZSA-N 242.278 2.527 30 20 BFED C=CCCCCC[C@H](C)NC[C@H](N)C1CC1 817964596 CTYZMYRHKREDQK-JSGCOSHPSA-N 224.392 2.838 30 20 BFED C#C[C@H](CC)NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 821567001 BRBIVAVNRBMWGR-XJFOESAGSA-N 248.370 2.761 30 20 BFED C[C@@H]1CCCC[C@H]1NC(=O)C#Cc1cccs1 823608191 DWIPQJMTRKSIBQ-DGCLKSJQSA-N 247.363 2.795 30 20 BFED C#C[C@H](C)NCc1cc(OC)c2ccccc2c1 824363992 NQKGMTFVBZYLSV-LBPRGKRZSA-N 239.318 2.960 30 20 BFED C#C[C@@H](C)N(C)C(=O)/C(F)=C/C1CCCCC1 830574190 KDJBDTZTWFTFNH-COVOJHCQSA-N 237.318 2.900 30 20 BFED C=CCCC[C@H](C)NC(=O)C(F)(F)CC 831733655 TXDBBWKGWGLTAB-VIFPVBQESA-N 219.275 2.893 30 20 BFED CCc1ccc(C#CC(=O)NC2(CC)CC2)cc1 833953037 KCPZASUNDNMTFC-UHFFFAOYSA-N 241.334 2.659 30 20 BFED Cn1cc(/C=C\C(=O)c2cc(F)ccc2F)cn1 834769704 PYDSTWFVBRAGCK-DJWKRKHSSA-N 248.232 2.594 30 20 BFED CC(C)CC[C@H]1CCC(=NN[C@@H](C)CO)C1 834963589 DUSSMOLOPAIZCH-RYUDHWBXSA-N 226.364 2.549 30 20 BFED CCC(=NOCC1CC1)c1ccncc1 834981885 DIMYXGDEDAGTER-UHFFFAOYSA-N 204.273 2.622 30 20 BFED C[C@H](NN=C1CCc2ccccc21)C(F)(F)F 834995752 KXADDGPXEJNAJZ-QMMMGPOBSA-N 242.244 2.877 30 20 BFED CCOC(=O)C(C)(C)ON=C1CCC[C@H]1CC 835005247 UMVAWTWELUJHDA-SNVBAGLBSA-N 241.331 2.911 30 20 BFED C=CCON=C(C)CCc1ccc2c(c1)OCO2 835011473 KBCGFFAPKYGWRL-UHFFFAOYSA-N 247.294 2.926 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)Oc1ccc(C)c(C)c1 835044904 BGOGALPNEIHXJP-KGLIPLIRSA-N 246.306 2.800 30 20 BFED C=CC(C)(C)COC(=O)c1ccc([N+](=O)[O-])cc1 835725180 WEIWVNABKCKRPD-UHFFFAOYSA-N 249.266 2.964 30 20 BFED Cc1ccc(NC(=O)C#CC2CC2)cc1C 837305929 UAOAXBOUBPKFDF-UHFFFAOYSA-N 213.280 2.655 30 20 BFED N#C[C@@H]1CCC[C@H](OC(=O)C2CC=CC2)C1 839051826 GPWDKRPBCDNUTL-PWSUYJOCSA-N 219.284 2.578 30 20 BFED CCC(=NNc1nc(C)cc(OC)n1)[C@H]1C[C@@H]1C 841627929 GPLBLAPYBCENBO-WPRPVWTQSA-N 248.330 2.628 30 20 BFED CCCON=C(C)c1ccccc1N(C)C 842552746 GAFXMEQAULDOCS-UHFFFAOYSA-N 220.316 2.903 30 20 BFED C=CCCCONC(=N)c1ccc(F)cc1F 842651885 JONQDHZLSUJLKX-UHFFFAOYSA-N 240.253 2.778 30 20 BFED C#C[C@@H](NC(=O)[C@H](CC)SC)c1ccccc1 843643973 UXPSYQJRWAEZDH-OLZOCXBDSA-N 247.363 2.619 30 20 BFED C=CCCO[C@@H](C)C(=O)O[C@H](CC)C(C)C 845853988 WRZUGQPNYUJCJA-NWDGAFQWSA-N 228.332 2.945 30 20 BFED CCCON=Cc1cccc(CC)c1O 848412961 GTAUSGGEFVNIKS-UHFFFAOYSA-N 207.273 2.715 30 20 BFED C#CCCCOc1ccnc2c1CCCC2 848526261 VDOXIALOXPINRK-UHFFFAOYSA-N 215.296 2.753 30 20 BFED C=C(C)CNC(=N)NCC[C@H]1CCCC[C@@H]1C 849089417 SRTCELZLSOFIQM-QWHCGFSZSA-N 237.391 2.893 30 20 BFED CC(C)=CCCOC(=O)C#CC(C)(C)C 849801904 GVAGTIBOKHKZJH-UHFFFAOYSA-N 208.301 2.935 30 20 BFED C=CC[C@@H](C)[C@H](C)NCC1SCCS1 850560585 LZCUFGIVBODKML-ZJUUUORDSA-N 231.430 2.983 30 20 BFED C#C[C@@H](CC)OC(=O)CC[C@H]1CC1(Cl)Cl 850954458 SHUXAJJJBDCYME-IUCAKERBSA-N 249.137 2.915 30 20 BFED CC(C)c1cnc(CN(C2CC2)[C@@H](C)C#N)o1 852480522 RDSZYEORGWJNHW-JTQLQIEISA-N 233.315 2.674 30 20 BFED C#Cc1cccnc1N1CC[C@H](c2ccco2)C1 853312550 YQDNXOITWSPPJX-ZDUSSCGKSA-N 238.290 2.650 30 20 BFED C[C@H]1CCCCN1N=Cc1cccc2nccn12 853378884 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BFED N#CCCCCNC[C@H]1CCc2ccccc21 892930497 YWUNHWZFEWHFHT-CQSZACIVSA-N 228.339 3.000 30 20 BFED Cc1nc(C=NOC2CCC2)sc1C 901245922 ITVAFFKUKZSQRQ-UHFFFAOYSA-N 210.302 2.663 30 20 BFED CC[C@@H](C)CON=Cc1cn(CC)nc1C 901245965 KBDIKCWBMTUZTM-SNVBAGLBSA-N 223.320 2.608 30 20 BFED C=CCC[C@H](C)N[C@H](C[C@@H](C)CC)C(=O)O 901685101 XXFZVNCDOFBVGX-SDDRHHMPSA-N 227.348 2.820 30 20 BFED CC(=O)C(C)=NOCCCc1ccccc1 902760428 GRSCJCJHVXEZGD-UHFFFAOYSA-N 219.284 2.601 30 20 BFED CCOCCCON=C(C)c1ccc(F)cc1 902855900 BINWYVMGNVMERL-UHFFFAOYSA-N 239.290 2.993 30 20 BFED C#CCCON=C(C)c1ccc(F)cc1 902856467 NGXXCBXDHKTEDR-UHFFFAOYSA-N 205.232 2.590 30 20 BFED C=CCCCC[C@H](C)NC[C@H](CC)C(=O)O 903710915 VCCRPIFMEBPTRB-RYUDHWBXSA-N 227.348 2.822 30 20 BFED CCC[C@H](C)C(=O)NCCC#C[Si](C)(C)C 912332794 ZSJIGVPAVHHJJX-LBPRGKRZSA-N 239.435 2.810 30 20 BFED C[Si](C)(C)C#CCCNC(=O)C=C1CCCC1 912333254 LSORWEBHBYHUQC-UHFFFAOYSA-N 249.430 2.874 30 20 BFED C=C(C)COC(=O)CSc1ccccc1 916590575 AKNNELWFSWOLLX-UHFFFAOYSA-N 222.309 2.898 30 20 BFED C=CCN(C[C@@H](O)c1cccc(F)c1)C(C)C 917069533 ROKIYMPQZRTXNN-CQSZACIVSA-N 237.318 2.756 30 20 BFED C/C(=C\C(=O)OCc1ccccc1C#N)C1CC1 917337663 GQPVKVJLNJNBEG-DHZHZOJOSA-N 241.290 2.958 30 20 BFED C=CCCCCN[C@@H](C)c1cn(C(C)C)nn1 926200030 RLZDZYYNFRLVFX-LBPRGKRZSA-N 236.363 2.866 30 20 BFED CC1(C)CC[C@H](C(=O)N2CCC[C@@H](C#N)C2)C1 928224360 WBGNTFCEAIHXGW-RYUDHWBXSA-N 234.343 2.575 30 20 BFED C=C[C@H](CC)CC(=O)N(CCC)CC(C)(C)O 934033381 GUIHFQCTPQQLOS-GFCCVEGCSA-N 241.375 2.598 30 20 BFED CC1CCC(=NNCC2CCOCC2)CC1 1116077831 YYZICSDCPNUFQX-UHFFFAOYSA-N 224.348 2.569 30 20 BFED CC(C)(C)ON=Cc1cc(C#N)cs1 1116408542 GKPRSPGVDKGVGE-UHFFFAOYSA-N 208.286 2.769 30 20 BFED C=C[C@](C)(CC)c1nnc(Cc2cccnc2)o1 1118371414 CBKBYBRPMNSFKK-CQSZACIVSA-N 243.310 2.909 30 20 BFED C=C(C)COc1cccc(NC(=O)[C@H]2C[C@@H]2F)c1 1120980279 NVSNBHZFZCYGJW-STQMWFEESA-N 249.285 2.938 30 20 BFED Cn1ccc2ccc(Nc3cncc(C#N)n3)cc21 1174514891 GVXVKQZGQBJVNL-UHFFFAOYSA-N 249.277 2.584 30 20 BFED CC(Cc1cccc(F)c1)=NNc1ccn(C)n1 1320695764 JHHILIMMJOFDJY-UHFFFAOYSA-N 246.289 2.590 30 20 BFED CC(C)[C@H](C#N)C=Nn1cnc2ccccc21 1324298594 PGGAHYDXHCDCAG-LLVKDONJSA-N 226.283 2.666 30 20 BFED C[C@H]1CC[C@H](C)C(=NNCC2CCOCC2)C1 1324611395 ZBIPHOXNIKRGBS-RYUDHWBXSA-N 238.375 2.815 30 20 BFED C=CCn1cnnc1S[C@H]1CC[C@@H](C)C1 1325260372 XPUXLBQBZUYUIM-ZJUUUORDSA-N 223.345 2.745 30 20 BFED Cc1cccc2nc(NC[C@H](C)C#N)oc12 1326492149 MHSQCMAKVZSUTM-MRVPVSSYSA-N 215.256 2.708 30 20 BFED CC[C@@H](C)CON=Cc1ccc(O)cc1OC 1330193694 XLBRBGOXRILHEC-SNVBAGLBSA-N 237.299 2.797 30 20 BFED C#Cc1ccc(NCCCOC2CCCC2)nc1 1337755200 GTGZKTFOGPYQKW-UHFFFAOYSA-N 244.338 2.824 30 20 BFED C=CCNC(=S)N[C@@H](C)c1cc(C)oc1C 1337902150 PQCQDIZTWGVGGZ-VIFPVBQESA-N 238.356 2.608 30 20 BFED N#CCc1cccc(NCC[C@@H]2CCCCO2)n1 1342859594 WWOLBSUZZAQHOV-ZDUSSCGKSA-N 245.326 2.519 30 20 BFED C=C[C@H](C)OC(=O)[C@@]1(c2ccccc2)CCCO1 1343327554 KHWULJATPJNAGT-WFASDCNBSA-N 246.306 2.810 30 20 BFED C=CC(C)(C)CC(=O)O[C@H](CC)CC#N 1344526059 LDWZRFXCOBOFTE-SNVBAGLBSA-N 209.289 2.824 30 20 BFED N#C[C@H]1CC[C@@H](OC(=O)c2occ3c2CCC3)C1 1347203008 HSCISDKBDOFUFF-GXSJLCMTSA-N 245.278 2.617 30 20 BFED C#CCN(CC1CC1)[C@H](C)c1nc(C(C)C)no1 1348448911 DUXPJFKSFKQLGF-LLVKDONJSA-N 247.342 2.599 30 20 BFED C=C(C)CCC(=O)NCCOCC1CCCC1 1354900008 UDHFNJWAAIPSFN-UHFFFAOYSA-N 239.359 2.666 30 20 BFED C[C@@H](CC#N)NC(=O)c1ccc(F)c2occc12 1465013858 AAGMBJDWEXJOIV-QMMMGPOBSA-N 246.241 2.604 30 20 BFED Cc1cncnc1Nc1cccc(CC#N)c1 1472785904 VZPDNDNOSGGOCI-UHFFFAOYSA-N 224.267 2.595 30 20 BFED CC[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)[C@@H]1C 1473402174 IACGJUGLYNFBHK-YVECIDJPSA-N 206.333 2.799 30 20 BFED C#CCCCCCCOC(=O)c1ccc(C)nn1 1515297044 LEURLFIPZBTUPT-UHFFFAOYSA-N 246.310 2.526 30 20 BFED C=CC1(OC(=O)[C@H](C)OC2CCCCC2)CC1 1515669331 NOVANHSMARWXHW-NSHDSACASA-N 238.327 2.986 30 20 BFED C=C[C@@H](N[C@H](CC)c1ccccc1F)C(=O)O 1588702205 MJIKDGKZCALSQN-VXGBXAGGSA-N 237.274 2.506 30 20 BFED C=C[C@@H](Nc1cccc(OC(C)C)c1)C(=O)O 1588702228 NKGCRDNNOFPAFI-GFCCVEGCSA-N 235.283 2.525 30 20 BFED C=C(Cl)CSCc1cncc(C(=O)O)c1 1602791566 VOVHKAYMCCNRGB-UHFFFAOYSA-N 243.715 2.766 30 20 BFED CCCN(CC)CCOc1cccc(C#N)c1 34674532 VJOXVZJYDYKUKZ-UHFFFAOYSA-N 232.327 2.669 30 20 BFED CC[C@](C)(C#N)NC(=O)CCc1cccc(C)c1 51967810 KWFIKLDMXMLPRD-OAHLLOKOSA-N 244.338 2.736 30 20 BFED CCCCCCCN[C@H](C)Cn1cccn1 59487435 FGFHZTQNHZMBAF-CYBMUJFWSA-N 223.364 2.832 30 20 BFED N#Cc1cc(Nc2ccc(F)cc2)ccn1 61814853 CXMOHAXLCFCACE-UHFFFAOYSA-N 213.215 2.836 30 20 BFED C#Cc1cccc(N[C@@H](CC)COC)c1 70623603 HQUOWRPZHMFRCO-LBPRGKRZSA-N 203.285 2.505 30 20 BFED CC[C@@H](O)CN(Cc1ccc(C#N)cc1)C(C)C 75674574 LHXJYWBWLPSTDZ-OAHLLOKOSA-N 246.354 2.540 30 20 BFED C[C@H](N(C)c1cccc(C#N)n1)C(C)(C)C 80117508 JYHWZOYNIVKOEM-JTQLQIEISA-N 217.316 2.824 30 20 BFED CC(C)(C#N)CC[S@@](=O)c1ccc(F)cc1 83640468 OXTSAFHVFSIUQZ-INIZCTEOSA-N 239.315 2.873 30 20 BFED CCc1ccccc1NC(=O)NC[C@H](C)C#N 84907701 SGDZKONUBLBZAI-SNVBAGLBSA-N 231.299 2.530 30 20 BFED C[C@@H](CCCO)Nc1ccc(Cl)cc1C#N 87360369 QVPDQWCIRGBXQX-VIFPVBQESA-N 238.718 2.785 30 20 BFED CCOC1CCN(CCCC(C)(C)C#N)CC1 87608517 YNTFYXMVJVDDSI-UHFFFAOYSA-N 238.375 2.817 30 20 BFED CCOc1cccc(CN(C)[C@H](C)CC#N)c1O 93090691 PMEIMELEBGNSOS-LLVKDONJSA-N 248.326 2.525 30 20 BFED C#Cc1cccc(N(C)C(=O)CC(F)(F)F)c1 103031553 IWSUDRPRGDKOMW-UHFFFAOYSA-N 241.212 2.583 30 20 BFED C[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(C#N)c1 104775501 KMRMMEYJALPNNM-GWCFXTLKSA-N 243.310 2.868 30 20 BFED C=CCCC(=O)OCCc1ccccc1F 113674926 YLDJPIWGLCFHMY-UHFFFAOYSA-N 222.259 2.878 30 20 BFED C=CC[C@H](C)NC(=O)[C@H](C)SCCCC 116849555 SLOAFSGBTBRSBZ-QWRGUYRKSA-N 229.389 2.989 30 20 BFED C=CCOCCCC(=O)Nc1ccc(C)nc1C 119131668 CVOACYULEGQESM-UHFFFAOYSA-N 248.326 2.620 30 20 BFED C=CC[C@H](C)NCc1nc(C)c(C)s1 122207211 OCNIYKNTRDEUOB-QMMMGPOBSA-N 210.346 2.814 30 20 BFED CO[C@H](C)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 129597156 KJEVSSFZJVRIKX-QJPTWQEYSA-N 232.327 2.632 30 20 BFED C=C(C)CN(CC)C(=O)c1cc(C)c(C)o1 134216471 RFRNBJAMNZCHPV-UHFFFAOYSA-N 221.300 2.935 30 20 BFED C=CCCS[C@@H](C)C(=O)N[C@@H](C)CCC 151991674 PMKRBVIKHWIOLZ-QWRGUYRKSA-N 229.389 2.989 30 20 BFED CC#CCCN1CCC[C@H](Nc2ccccc2)C1 156765803 YQWCSKMKFIRAPS-INIZCTEOSA-N 242.366 2.976 30 20 BFED N#Cc1ccc(C(=O)NCCC2CCCCC2)[nH]1 157039574 YHDZUAQSKASBLV-UHFFFAOYSA-N 245.326 2.587 30 20 BFED Cc1ccc(C#N)c(NCc2cnccc2C)n1 162981765 JBMUZTPCTGHUHM-UHFFFAOYSA-N 238.294 2.577 30 20 BFED CC#CCCNCc1ccc(F)cc1C 163426403 XCYHZKFLRGAIHB-UHFFFAOYSA-N 205.276 2.637 30 20 BFED C#CCSCCN[C@H](C)c1ccccc1 165101808 VSVOQJUHVUWAPZ-GFCCVEGCSA-N 219.353 2.704 30 20 BFED C#CCCCOC(=O)C1(c2ccccc2C)CC1 170711259 INQXGPPLBWJICJ-UHFFFAOYSA-N 242.318 2.983 30 20 BFED C=CCCC(=O)[C@@H](C#N)c1nc2ccccc2o1 172022346 KJEQQWBAULPPMC-SNVBAGLBSA-N 240.262 2.970 30 20 BFED N#CC1(NC(=O)CC2CCCCCC2)CC1 176583698 ODEPEYXDSUQHOK-UHFFFAOYSA-N 220.316 2.519 30 20 BFED CN(C(=O)[C@H]1C[C@H]1C1CC1)c1cccc(C#N)c1 176900978 FIYLHEQMMSNVMF-KBPBESRZSA-N 240.306 2.567 30 20 BFED C=CCC[C@@H](O)CN1CCc2ccccc2[C@@H]1C 177501664 KLXKTLLZXPWWNY-DZGCQCFKSA-N 245.366 2.933 30 20 BFED C[C@@H](OC(=O)C(C)(C)C#N)c1ccccc1F 182045947 FIXXVTUYXRBKCO-SECBINFHSA-N 235.258 2.980 30 20 BFED C=Cc1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1 185271891 WXJROWKRZKWOLQ-NSHDSACASA-N 228.295 2.704 30 20 BFED C#C[C@H](C)NC(=O)c1ccccc1SC(C)C 185335227 SQKPABIUEOOOJE-NSHDSACASA-N 247.363 2.939 30 20 BFED CC[C@H]1[C@@H](C)CCN1CCCSCC#N 185615296 INXWTJLHSPQIIH-RYUDHWBXSA-N 226.389 2.754 30 20 BFED N#C[C@@H]1CCC[C@H](NCCN2CCCCCC2)C1 192635594 VDYZDCOGEFUMFY-CABCVRRESA-N 249.402 2.534 30 20 BFED C#CCN(CC)C(=O)c1cccc(Cl)c1C 219994867 RXVJAFNHCPURKE-UHFFFAOYSA-N 235.714 2.744 30 20 BFED C[C@@H](O)CCCNc1cc(Cl)ccc1C#N 227996199 SJMSTFYUBSTQHJ-SECBINFHSA-N 238.718 2.785 30 20 BFED C[C@H]1CCC[C@H]1C(=O)N1CCC(C)(C#N)CC1 230176691 POTBDSMIWQLRAI-NWDGAFQWSA-N 234.343 2.575 30 20 BFED Cc1nnc(N[C@@H](C)c2cccc(C#N)c2)s1 231661542 HLTVIQXPULJFQT-QMMMGPOBSA-N 244.323 2.891 30 20 BFED CC[C@H]1CCCC[C@@H]1Nc1nccc(C#N)n1 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20 BFED C=CC[C@@H](CC)NC(=O)NCC=C(C)C 281553079 OEBUGMDRLOWVAK-LLVKDONJSA-N 210.321 2.607 30 20 BFED C=CCCCOc1ccc(N)c([N+](=O)[O-])c1 283772002 OYEREJMLAADZAD-UHFFFAOYSA-N 222.244 2.522 30 20 BFED C#CC[C@H](N[C@@H](C)c1ncc[nH]1)c1ccccc1 286286830 WHPQJXAGPQONCJ-JSGCOSHPSA-N 239.322 2.825 30 20 BFED CC[C@](C)(C#N)C(=O)Nc1ccc(C(C)=O)cc1 287201690 UEMNUJGJOWBHGU-CQSZACIVSA-N 244.294 2.768 30 20 BFED CC[C@H]1CCC[C@H]1Nc1cc(C#N)ccn1 288019936 WKFLDCCSPDCTIM-NWDGAFQWSA-N 215.300 2.944 30 20 BFED C=C[C@H](CO)N[C@@H](C)c1ccc(CC)s1 289719342 JNKNHAGWLKRPEK-VHSXEESVSA-N 225.357 2.508 30 20 BFED CC(C)c1[nH]ccc1C(=O)N[C@]1(C#N)CC1(C)C 292421424 IBCKPIIMTGLDOB-AWEZNQCLSA-N 245.326 2.560 30 20 BFED C=CCC(C)(C)C(=O)N(C)c1ccc(C)cn1 297844114 RNQMXGVQXIPLEW-UHFFFAOYSA-N 232.327 2.955 30 20 BFED C=CCN(C)C(=O)N[C@@H](C)CCC=C(C)C 298381632 JAIOBWAOFIBLFU-LBPRGKRZSA-N 224.348 2.949 30 20 BFED C#C[C@@H](NC(=O)CCC1CCCC1)C(C)C 300946087 PFHPEEUCLOPRPA-CYBMUJFWSA-N 221.344 2.731 30 20 BFED CN(CC1CCC1)c1snc(Cl)c1C#N 301224605 AZEYFUCOYOMLEE-UHFFFAOYSA-N 241.747 2.904 30 20 BFED C[C@@H]1CCN(c2c(C#N)cccc2C#N)[C@@H]1C 302888400 OKHGGDQISISUKG-GHMZBOCLSA-N 225.295 2.665 30 20 BFED C#C[C@@H](CC)NC(=O)C(C1CCC1)C1CCC1 304467703 NCDSXRYGJMTYBA-ZDUSSCGKSA-N 233.355 2.731 30 20 BFED C=CC[C@H](C)NCC1Cc2ccccc2C1 309573271 OEPLYGVSATXIEW-LBPRGKRZSA-N 215.340 2.956 30 20 BFED N#CCc1cccc(NCC2(CC#N)CC2)c1 313405812 CJQNBWULMNYABN-UHFFFAOYSA-N 225.295 2.858 30 20 BFED CCOC[C@@H]1CCCCN1CC1(CC#N)CC1 313474951 YLYWVQSKEDSORW-ZDUSSCGKSA-N 236.359 2.571 30 20 BFED C=C(CC)CNCc1cccc2c1OCCCO2 313488712 AHMKDAZZNQRUPC-UHFFFAOYSA-N 247.338 2.904 30 20 BFED C=CC[C@H](CC)Nc1ncnc2scnc12 320946906 FNMWUECWBMYXTB-QMMMGPOBSA-N 234.328 2.853 30 20 BFED C[C@H](NC(=O)NCC1(C#N)CCC1)C1CCCC1 331366998 FWKCBGOHWSMXEP-NSHDSACASA-N 249.358 2.558 30 20 BFED CC(C)N(C)Cc1ccc(C#N)c(F)c1 334540347 MMVLJPFFOCAKRC-UHFFFAOYSA-N 206.264 2.538 30 20 BFED C[C@@H]1CCCCCN1c1ncc(C#N)cc1F 334576031 HMHWCRPUCMYIKH-SNVBAGLBSA-N 233.290 2.861 30 20 BFED CC[C@@H]1OCC[C@H]1NC1CCC(C)(C#N)CC1 335149022 SQRZRYYVZZBNMC-DKNRTOFZSA-N 236.359 2.616 30 20 BFED CC1=C(C)C[C@H](C(=O)N(C)[C@H](C)CC#N)CC1 335536679 ULXOYBBOAXDPCX-CHWSQXEVSA-N 234.343 2.883 30 20 BFED Cc1c(C#N)cccc1NC(=O)CC(C)(C)C#N 335646458 YCOBNGPERIODDL-UHFFFAOYSA-N 241.294 2.745 30 20 BFED C[C@H]1[C@H](C)CCCN1C(=O)NCC1(CC#N)CC1 335697738 LVKUUHVTOCHWSN-NEPJUHHUSA-N 249.358 2.510 30 20 BFED C=CC1CCN(C(=O)NCC=C(C)C)CC1 335782293 OSPNIPWEQFCLNT-UHFFFAOYSA-N 222.332 2.560 30 20 BFED C[C@H]1CC[C@H](CC(=O)N2CCC(C)(C#N)CC2)C1 335973039 WHJLEZBRXQQBSP-STQMWFEESA-N 248.370 2.965 30 20 BFED C[C@H]1CN(C(=O)CC#N)CC[C@H]1c1ccccc1 336024107 HEFWPRLPURRRID-GXTWGEPZSA-N 242.322 2.552 30 20 BFED C[C@H]1CCC[C@H](C)N1CC1(C#N)CCC1 336188921 LZMKAGDDDZRWHD-RYUDHWBXSA-N 206.333 2.943 30 20 BFED Cc1nn(C/C=C/c2ccccc2)cc1C#N 336577425 YVIDQMWTWJEHKZ-VMPITWQZSA-N 223.279 2.777 30 20 BFED C[C@H](Sc1cnn[nH]1)c1ccc(C#N)cc1 336603606 KTDGRGAYJDEBDM-QMMMGPOBSA-N 230.296 2.530 30 20 BFED C=CCCC[C@H](C)N[C@H]1CCC[C@]1(C)CO 336740820 MNIYZGCOTJRTQA-MELADBBJSA-N 225.376 2.872 30 20 BFED C=CCN(C(=O)c1cccc(C#N)c1C)C1CC1 337851671 YAGDQUBYNJEODW-UHFFFAOYSA-N 240.306 2.657 30 20 BFED C[C@@H](C[C@@H]1CCCO1)NCc1ccc(C#N)cc1 338710532 VJOTWULJAPNHQG-WFASDCNBSA-N 244.338 2.605 30 20 BFED C=CC[C@@H]1N(C[C@H](O)CC)CCCC1(C)C 339129734 MSEUDQMNWWKEQO-OLZOCXBDSA-N 225.376 2.824 30 20 BFED C=C(CN=c1ncc(Cl)c[nH]1)c1ccccc1 340887289 WJWWAXLLFZMNET-UHFFFAOYSA-N 245.713 2.677 30 20 BFED C=CC[C@H](CC)NC(=O)[C@@H](CC)N(CC)CC 341639975 AAELPCMTHAZQCW-QWHCGFSZSA-N 240.391 2.578 30 20 BFED C=CCN(C)C(=O)C1(c2cccnc2)CCCC1 343892705 SRUHEAHFSBGXKC-UHFFFAOYSA-N 244.338 2.538 30 20 BFED C=C[C@H](CO)NCC1CCC(C(C)(C)C)CC1 352465275 GTGWPUDGIKMMLY-JXQTWKCFSA-N 239.403 2.975 30 20 BFED COC(C)(C)CN[C@@H]1CCc2ccc(C#N)cc21 353276821 SQQJGLFFEVAAOA-CQSZACIVSA-N 244.338 2.560 30 20 BFED C=CCC[C@H](NC[C@H](CO)C1CC1)c1ccco1 353510117 LUZCQYUJXPRGDX-KGLIPLIRSA-N 249.354 2.895 30 20 BFED 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225.242 2.719 30 20 BFED CCc1ccc(NCC2(CC#N)CC2)nc1 1336616638 REHFZRJMLYUIGY-UHFFFAOYSA-N 215.300 2.750 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)CCc1ccon1 1336759761 OTKYARUSUWHBTO-CYBMUJFWSA-N 248.326 2.564 30 20 BFED N#CCC[C@H](C#N)CNCCCc1ccsc1 1336772001 HIKQHVBFFFBPSJ-CYBMUJFWSA-N 247.367 2.714 30 20 BFED C=C(C)CCC(=O)N1CCOCc2ccccc21 1337358440 TXKSWRRGRTUBIY-UHFFFAOYSA-N 245.322 2.906 30 20 BFED CCc1oc2ccccc2c1C(=O)OCC#N 1341156651 HXYYNTGHUZMCHI-UHFFFAOYSA-N 229.235 2.676 30 20 BFED C=C[C@H](C(=O)N[C@H](C)CC)c1ccccc1 1347175901 CHSHICITZCUURG-YPMHNXCESA-N 217.312 2.871 30 20 BFED CCN(C(=O)CC(C1CC1)C1CC1)[C@H](C)C#N 1351100515 YSJMQGMVWPOYDL-SNVBAGLBSA-N 234.343 2.573 30 20 BFED CC[C@H]1CCN(c2nnc(C)c(C)c2C#N)[C@H]1C 1472763742 SEYMSAUBGYMGLQ-RYUDHWBXSA-N 244.342 2.590 30 20 BFED C=CC(C)(C)C(=O)[C@@H](C#N)c1cccc(F)n1 1516820706 PEINKFMPTNWVGR-VIFPVBQESA-N 232.258 2.609 30 20 BFED C=CCC[C@@H](C)N1CC[C@H](CCC(=O)O)C1 1776166023 MYIRNWBPTNQKCD-NEPJUHHUSA-N 225.332 2.528 30 20 BFED 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2.606 30 20 BFED N#Cc1ccc(NC[C@H]2CCSC2)c(F)c1 224451603 YSLYAZCWBKBKOJ-SNVBAGLBSA-N 236.315 2.862 30 20 BFED CSc1ccccc1NC(=O)[C@@H](C)C#N 226934037 KKMZLXYPENNZHP-QMMMGPOBSA-N 220.297 2.507 30 20 BFED C=CCN(CC=C)C(=O)c1ccc(O)c(C)c1 226951355 DBBMOJREOOQMKG-UHFFFAOYSA-N 231.295 2.515 30 20 BFED C[C@@H](Nc1cc(F)cc(C#N)c1)[C@@H]1CCCO1 227607939 UJOTWSHSPMHRMV-RNCFNFMXSA-N 234.274 2.677 30 20 BFED CO[C@H]1C[C@H](Nc2cccc(F)c2C#N)C1(C)C 227821191 UOPZJPOOIFIJLF-STQMWFEESA-N 248.301 2.923 30 20 BFED CCC1(CNc2ccnc(C#N)c2)CCC1 232973263 GDAOODKNTQOBFG-UHFFFAOYSA-N 215.300 2.945 30 20 BFED C=C(C)COCCN[C@@H]1C[C@@H](C)C[C@@H](C)C1 245952511 PQTMAXYSCZHEAE-WDNDVIMCSA-N 225.376 2.993 30 20 BFED Cc1cccc(NC(=O)c2cccc(C#N)n2)c1 259034440 UEHGEVPTLOJRJG-UHFFFAOYSA-N 237.262 2.514 30 20 BFED N#Cc1ccc(NC[C@@H](O)C2CCCCC2)cc1 263910065 KBTFZZMLERTVBD-OAHLLOKOSA-N 244.338 2.911 30 20 BFED CCCCN/C(N)=N/Cc1ccc(CC)s1 264089817 KOKPDQNVZATEJL-UHFFFAOYSA-N 239.388 2.515 30 20 BFED C#CCN(CC)Cc1ncc(-c2ccccc2)o1 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30 20 BFED C=CCCCCCCNC1CC(C(=O)O)C1 1573367279 UDAXKZPOTFWRAY-UHFFFAOYSA-N 225.332 2.576 30 20 BFED C#C[C@@](C)(CC)N[C@H](C(=O)O)c1ccccc1C 1588367053 HNSVJJZMIFIUPX-ZFWWWQNUSA-N 245.322 2.512 30 20 BFED C=CC[C@H](Nc1cccc(COCC)c1)C(=O)O 1602845466 PDGPUGVYIBTTEP-ZDUSSCGKSA-N 249.310 2.664 30 20 BFED N#Cc1ccc(CSc2ncccn2)s1 1643449028 ZIYBWRKSWXEJFR-UHFFFAOYSA-N 233.321 2.702 30 20 BFED C[C@@H](C#N)OC(=O)c1ccc2ccccc2c1 3389347 UJPBGZRWVKGBBR-JTQLQIEISA-N 225.247 2.909 30 20 BFED C#CCN[C@@H](C)c1ccc(OC(F)F)cc1 20084699 YFIVSLUUHCPEAO-VIFPVBQESA-N 225.238 2.572 30 20 BFED Cc1ccoc1C(=O)Nc1ccc(CC#N)cc1 21669054 DKWZHGOGMANDDQ-UHFFFAOYSA-N 240.262 2.906 30 20 BFED N#Cc1cccnc1SCc1ccco1 26514392 JFHQZRZIQIWCPB-UHFFFAOYSA-N 216.265 2.839 30 20 BFED CCCNc1nnc(SCCCC#N)s1 26616668 KOLSSLRPTADKPC-UHFFFAOYSA-N 242.373 2.756 30 20 BFED Cc1ccc(F)c(NC(=O)C(C)(C)C#N)c1 42091503 UCRLGQDKAAEFBS-UHFFFAOYSA-N 220.247 2.622 30 20 BFED C[C@@H](CC#N)N[C@@H](C)c1ccccc1F 42375309 AAEFWSMEHOMWSO-UWVGGRQHSA-N 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C=CCN(CCCCCCCO)C1CC1 772383394 WBTVSLDKTSCDEP-UHFFFAOYSA-N 211.349 2.580 30 20 BFED C(=NOC1CCCC1)c1ccc2c(c1)CCO2 774603232 PQFVHBSQJRWLLW-UHFFFAOYSA-N 231.295 2.915 30 20 BFED C#CCN(CC)CCCCc1ccccc1 775609367 OGIBUNXMIIUAPQ-UHFFFAOYSA-N 215.340 2.964 30 20 BFED CCC(=NOCCC(F)(F)F)[C@H]1CCOC1 777462647 GBXQSGSBOGDMLH-QMMMGPOBSA-N 239.237 2.758 30 20 BFED C=C(Cl)CN1CCC[C@@H]1C1CCOCC1 777745312 ZEGIMKRCUPSDEM-GFCCVEGCSA-N 229.751 2.630 30 20 BFED C[C@@H](C#N)OC(=O)CCCc1ccsc1 783261662 GSENUHXSPMYYFL-VIFPVBQESA-N 223.297 2.526 30 20 BFED CC(=NNc1ccc(F)cc1F)[C@@H]1CCCO1 783773843 PPVAYDCAMAVAJS-LBPRGKRZSA-N 240.253 2.932 30 20 BFED CC[C@H](C)NN=Cc1ccc(F)cc1C 790187279 AFJHOBQUNOEDLP-JTQLQIEISA-N 208.280 2.856 30 20 BFED COc1cccc(C(C)=NOCCSC)c1 794575214 ZVIYXDWMCTYNNF-UHFFFAOYSA-N 239.340 2.799 30 20 BFED C=CCOCCOC(=O)C[C@H]1CC[C@H](C)C1 797312226 SVKUSRJIHWKDLT-RYUDHWBXSA-N 226.316 2.559 30 20 BFED CC[C@@](C)(C#N)C(=O)OC/C(Cl)=C/Cl 803784083 LNVBOXJTLXWUML-WYDVEAGSSA-N 236.098 2.788 30 20 BFED N#CCCCCCC(=O)Nc1ccc(F)nc1 807092720 FFXYQJGRTVCNHK-UHFFFAOYSA-N 235.262 2.633 30 20 BFED O=[N+]([O-])c1ccc(CCON=C2CCC2)cc1 808257247 ALCUTJIQULDXOT-UHFFFAOYSA-N 234.255 2.694 30 20 BFED C#Cc1ccc(CNc2cnccc2C)cc1 809627471 ANHSRAZQWMHMTH-UHFFFAOYSA-N 222.291 2.983 30 20 BFED N#Cc1cccc(C(=O)OC2CCCCCC2)n1 810547893 KSMFYWZGMOZUTP-UHFFFAOYSA-N 244.294 2.833 30 20 BFED C=CCCCCCOC(=O)CCCC#N 812614433 KJXZUJKRNAICKH-UHFFFAOYSA-N 209.289 2.970 30 20 BFED C(=NOCC1CC1)c1ccc2[nH]ccc2c1 814244319 NDOCWQQLTPBWMC-UHFFFAOYSA-N 214.268 2.928 30 20 BFED CC(C)CON=Cc1cnc(C(C)(C)C)nc1 814884383 VTERRUKRVDJRBF-UHFFFAOYSA-N 235.331 2.781 30 20 BFED CC(Cn1cccn1)=NN[C@H]1CCCCC1(C)C 814917728 PPYNDTZDXQHENQ-ZDUSSCGKSA-N 248.374 2.817 30 20 BFED C=CCOCCN(C)c1ccc(C)c(C)c1 815021805 UFCHMLALLZUXQJ-UHFFFAOYSA-N 219.328 2.942 30 20 BFED FC(F)(F)CC=NN=c1cc[nH]cc1Cl 817326281 UXZLDKDULLWWKR-UHFFFAOYSA-N 237.612 2.507 30 20 BFED C=CCCOCCNC(=O)[C@H](CC)CCC 821335333 QXXWMZYLGHTLHF-GFCCVEGCSA-N 227.348 2.522 30 20 BFED C=C(C)CONC(=O)C/C=C/Cc1ccccc1 824232671 LCELZCRAVJRQMW-VOTSOKGWSA-N 245.322 2.799 30 20 BFED CC(C)CCCNC(=O)C#Cc1cccs1 824726217 JRMYNVGYMSHXJH-UHFFFAOYSA-N 235.352 2.652 30 20 BFED C=C(C)CN[C@@H](c1ccccc1)[C@H](C)C(=O)O 825642591 YEEMEVHBJNLCAB-WCQYABFASA-N 233.311 2.614 30 20 BFED C=CCCNc1cc(F)c(F)cc1C(=O)O 825675887 JGNXLLLRQQZUSG-UHFFFAOYSA-N 227.210 2.651 30 20 BFED C=CCCC[C@@H](C)OC(=O)c1ccn(CC)n1 830745081 BTJUOHPIEIVKBK-LLVKDONJSA-N 236.315 2.805 30 20 BFED CC(=NN1CCOCC1)[C@@H]1CCCC[C@@H]1C 834918042 RGZBOFQBWQGIPR-WCQYABFASA-N 224.348 2.521 30 20 BFED CC[C@@](C)(C=Nn1cnc2ccccc21)OC 834933342 JRUGGASMBSQWEV-ZDUSSCGKSA-N 231.299 2.685 30 20 BFED Cc1nc2ccccc2nc1C=NOCC(C)C 834966932 VRPBDFDMEKCEOG-UHFFFAOYSA-N 243.310 2.945 30 20 BFED C#C[C@H](CC)OC(=O)C1=CC[C@@H](C)CC1 835309395 OATXPZBCWFLTLN-ZYHUDNBSSA-N 206.285 2.688 30 20 BFED C#CCC(C)(C)C(=O)O[C@H](C)CCSC 835815003 YOCASNPVRZZUIX-SNVBAGLBSA-N 228.357 2.721 30 20 BFED C#CCC[C@H](C)OC(=O)CC[C@H]1CCCCO1 839039250 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234.295 2.882 30 20 BFED COC[C@@H](C)C(C)=NNc1ccc(Cl)cn1 853437760 SWNCVXNLSWEYNC-MRVPVSSYSA-N 241.722 2.805 30 20 BFED C#Cc1cccnc1N[C@@H]1CCCC[C@H]1F 853690869 VZCDQLXNXVRWDH-VXGBXAGGSA-N 218.275 2.756 30 20 BFED CC(C)C[C@@H](C(=O)NO)c1ccc(Cl)cc1 856847149 KMUIBRRPMOJRHF-LLVKDONJSA-N 241.718 2.975 30 20 BFED C#C[C@H](C)N(C)C(=O)[C@H](C)Cc1ccccc1C 861341949 UQRIEYMVZVIOLE-KGLIPLIRSA-N 243.350 2.654 30 20 BFED C#CC[C@H](CCOC)N[C@H](C)CCC1CC1 862549197 WVSFXCLYCQAXDH-TZMCWYRMSA-N 223.360 2.583 30 20 BFED CC(C)(O)CNN=C[C@H]1CCCC(C)(C)C1 863137770 LRZFJFYIXFPOFY-NSHDSACASA-N 226.364 2.549 30 20 BFED CCCC(Cc1ccccc1)=NNCC(C)(C)O 863139487 HWHCEPOKLWGKFW-UHFFFAOYSA-N 248.370 2.746 30 20 BFED Cc1cccc(NN=C2CN(C(C)C)C[C@@H]2C)n1 863160314 YUTHMZGOGQVUTL-NSHDSACASA-N 246.358 2.518 30 20 BFED CC(C)(C)c1ccc(C=NN2CCOC2=O)cc1 863162667 UPGLIDPBBRCTQG-UHFFFAOYSA-N 246.310 2.770 30 20 BFED C=CCN(C)C(=O)/C=C/CCc1ccccc1 867530833 GJEQEWPVQODLCL-XYOKQWHBSA-N 229.323 2.820 30 20 BFED C#Cc1ccc(C(=O)OC[C@@H](C)C(C)(C)C)nc1 869386023 LPCIYLZCZQKWLB-LLVKDONJSA-N 245.322 2.902 30 20 BFED CC1(C)CCC[C@H]1NN=Cc1cnsc1 872370850 GGAABRBGCBBTGL-SNVBAGLBSA-N 223.345 2.645 30 20 BFED CCSc1cccc(C=NN2CCC2)c1 872397357 MSUDZSJPJQXIDT-UHFFFAOYSA-N 220.341 2.838 30 20 BFED CN(CC1(CC#N)CC1)OCc1ccccc1 878293179 FYWSPIAOYKBVOY-UHFFFAOYSA-N 230.311 2.744 30 20 BFED C=CC(C)(C)CC(=O)NCCCC(C)(C)CO 879159613 WMLQVKUVHBODNS-UHFFFAOYSA-N 241.375 2.504 30 20 BFED C=C1CCC(C(=O)NCC2CC(F)(F)C2)CC1 891127294 YFMXDZRFLPNMEC-UHFFFAOYSA-N 243.297 2.894 30 20 BFED C=CCSCCNc1cc(C)cc(C#N)n1 892098758 OSWHNTATWNCTMJ-UHFFFAOYSA-N 233.340 2.593 30 20 BFED C=C[C@@](C)(O)Cc1nc([C@@H](C)C(C)(C)C)no1 896103473 VXGKXYJAPQSUOI-NOZJJQNGSA-N 238.331 2.699 30 20 BFED C=C1CN(C(=O)c2cc3c(s2)CC[C@H](C)C3)C1 898689566 VHYOZGQOAOEMTC-VIFPVBQESA-N 247.363 2.885 30 20 BFED C=C1CN(C(=O)/C(C)=C\c2ccc(C)cc2)C1 898703391 FKYQKUCBIYPRST-JYRVWZFOSA-N 227.307 2.797 30 20 BFED C=C1CN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1 898703733 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2.805 30 20 BFED CCC(=O)N(c1ccccc1C#N)C1CCC1 1262101393 YIQLENWFBTUMJH-UHFFFAOYSA-N 228.295 2.854 30 20 BFED C=CCCCCOC(=O)c1c(C)ccnc1O 1324701353 CQFVHWFPPSYJLR-UHFFFAOYSA-N 235.283 2.609 30 20 BFED C=CCONC(=O)c1ccc(CC)c(CC)c1 1324951244 WCJMNLHHWMMQHN-UHFFFAOYSA-N 233.311 2.659 30 20 BFED N#Cc1ccc(COC(=O)C2[C@@H]3CCC[C@@H]23)s1 1326839133 NOSRCFFKRIZARR-GHMZBOCLSA-N 247.319 2.709 30 20 BFED C=CCn1cnnc1SCC=C(C)C 1327114775 IZYPPIKYWVMFHL-UHFFFAOYSA-N 209.318 2.522 30 20 BFED C=C(C)C(C)(C)c1nnc(-c2ccccn2)o1 1329276735 KEPAULGRIIFTKP-UHFFFAOYSA-N 229.283 2.985 30 20 BFED C=CCC(C)(C)CNC(=O)NCCCC(F)F 1332315870 BLLRZPWIVVDQQP-UHFFFAOYSA-N 248.317 2.933 30 20 BFED C=C[C@H](COC)NCc1ccc(C)cc1Cl 1332611649 CJRRRKXPCNHYKP-GFCCVEGCSA-N 239.746 2.939 30 20 BFED C=C(C)CCC(=O)OCc1nnc(CC)s1 1338213443 SXRGJHNMCBWWNF-UHFFFAOYSA-N 240.328 2.500 30 20 BFED C#Cc1ccc(N2CC(C)(C)C[C@H]2C)nc1 1339752391 LBEIFDKLFPAEEL-LLVKDONJSA-N 214.312 2.688 30 20 BFED C#CCCCCCC(=O)N[C@H]1CCC[C@@H](F)C1 1346059698 XNNUFWSUHVRKQT-OLZOCXBDSA-N 239.334 2.967 30 20 BFED C#C[C@H](OC(=O)[C@H]1C[C@H]1F)c1ccc(C)cc1 1346931356 RLVARNYLPVGWHP-XQQFMLRXSA-N 232.254 2.571 30 20 BFED C=CC[C@@H](C(=O)O)N(C)CCCc1ccccc1 1588727651 DQFYFFZRVVILIX-AWEZNQCLSA-N 247.338 2.580 30 20 BFED N#CC1(CCCCSCC(=O)O)CCC1 1601055048 VQQNHMOBIYDIRB-UHFFFAOYSA-N 227.329 2.668 30 20 BFED C=C1CC(N(C)Cc2cc(C(=O)O)ccc2F)C1 1776145234 PXAKMUKFTQPAEH-UHFFFAOYSA-N 249.285 2.674 30 20 BFED C=C[C@H](CCC(=O)O)NCc1ccccc1C 1776148848 ASJFSZUYONHKRZ-CYBMUJFWSA-N 233.311 2.504 30 20 BFED C=CC[C@@]1(C(=O)O)CCCN(C/C=C/CC)C1 1776153264 YGTCLRCSYSWLGY-VBROQKIQSA-N 237.343 2.696 30 20 BFED C=CC[C@@]1(C(=O)O)CCN(CC[C@H](C)CC)C1 1776160383 GJGLOCAZAVGJMG-TZMCWYRMSA-N 239.359 2.775 30 20 BFED C=CCCC[C@@H](NCc1cccc(C)c1)C(=O)O 1776172349 GYTHLCKUEYONEM-CQSZACIVSA-N 247.338 2.894 30 20 BFED CC/C=C(/C)C(=O)Nc1cccc(C#N)c1 40512906 TXLDPHSGSZABGW-YHYXMXQVSA-N 214.268 2.853 30 20 BFED N#Cc1cc(Cl)ccc1NC[C@@H]1CCCNC1 52858733 MIKRSSXLPJKHCX-SNVBAGLBSA-N 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BFED C=C(CC)Cn1ccc2c(OC)cccc2c1=O 577511856 DTUVGOXYSLXJJV-UHFFFAOYSA-N 243.306 2.976 30 20 BFED C=CCNC(=O)N[C@@H]1CCCC[C@H]1CCC 590630077 MGYWCZXMEOZKCG-VXGBXAGGSA-N 224.348 2.831 30 20 BFED C=C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 591091464 HUJDWNDOEAILHT-RWMBFGLXSA-N 219.328 2.601 30 20 BFED Cc1nc(C)c(C)c(N2CCC[C@@H](CC#N)C2)n1 596328566 HKTYCAWCRWFZIA-ZDUSSCGKSA-N 244.342 2.532 30 20 BFED C[C@@H](N(C)Cc1cccc(C#N)n1)C(C)(C)C 602444427 MIBLLJMZOSOBGD-LLVKDONJSA-N 231.343 2.820 30 20 BFED C[C@@H]1CCCCN(Cc2cccc(C#N)n2)C1 602615794 KCEKRLMBKFYEAM-GFCCVEGCSA-N 229.327 2.575 30 20 BFED COCCS[C@H](C#N)Cc1ccccc1 610340156 MOAXMJZLERYRFN-LBPRGKRZSA-N 221.325 2.501 30 20 BFED Cc1ccc([C@@H](C)NCc2ccc(C#N)cn2)o1 615093012 AGYMZNHDKIPVFM-LLVKDONJSA-N 241.294 2.706 30 20 BFED Cc1cccc(C#CC[C@@H](O)C(F)(F)F)c1 616581086 DDFANUWQWFOIJX-LLVKDONJSA-N 228.213 2.660 30 20 BFED C=CC1CCN(C(=O)c2c[nH]cc2C2CC2)CC1 639720509 XCCGSQWNTALUQQ-UHFFFAOYSA-N 244.338 2.930 30 20 BFED C=CCCNC(=O)Nc1ccsc1C 640464411 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CC[C@@H](CC#N)N[C@H]1CCC12CCCC2 694403067 MBKVHKUEWNMVIP-RYUDHWBXSA-N 206.333 2.991 30 20 BFED C#CCN(C)C(=O)c1ccc(CCCC)cc1 704256206 CUGBUSZHNRRNDI-UHFFFAOYSA-N 229.323 2.734 30 20 BFED C#CCCCCC(=O)Nc1cc(C)cc(C#N)c1 710319172 HTTXERABTLQYDE-UHFFFAOYSA-N 240.306 2.999 30 20 BFED C=CC[C@@H](C)N1C[C@H](CN)Cc2ccccc21 714996231 OVIALUGPIZPUSQ-OLZOCXBDSA-N 230.355 2.589 30 20 BFED CC[C@H](C)C(C)=NNc1ccc(C)nn1 729936483 RSPQVNNBLQXJCB-QMMMGPOBSA-N 206.293 2.619 30 20 BFED C=C(Cl)COC(=O)c1sccc1OC 730059595 RBSSCAFFKNBMIM-UHFFFAOYSA-N 232.688 2.666 30 20 BFED CC[C@@H]1CCCN1Cc1ccc(OCC#N)cc1 731212322 GQTLKXWZJKEGHP-CQSZACIVSA-N 244.338 2.963 30 20 BFED c1cnnc(NN=C2CCCc3ccccc32)c1 735974377 COKNJYIVABRZCU-UHFFFAOYSA-N 238.294 2.629 30 20 BFED C=CC[C@@H](C)N[C@H](C(=O)O)c1ccc(F)cc1 736096441 NAWYNBSOURIQPL-SKDRFNHKSA-N 237.274 2.506 30 20 BFED CON=C(C)c1cnc2ccsc2c1 739411708 ORWCQFCAANFLBR-UHFFFAOYSA-N 206.270 2.667 30 20 BFED CCN(CCC#N)C(=O)/C=C(/C)C(C)(C)C 744402467 BDEMNQRRQIDQMJ-KHPPLWFESA-N 222.332 2.741 30 20 BFED CCC(CC)(C(=O)OCC#N)c1ccccc1 745727426 HFROZDGMIUWOHZ-UHFFFAOYSA-N 231.295 2.811 30 20 BFED CC(Cc1ccncc1)=NOCc1cccnc1 746585492 GGPQJSIZCFIAJS-UHFFFAOYSA-N 241.294 2.612 30 20 BFED C#CCCOC(=O)c1cnc2ccccc2c1C 749024804 KASLWRBWQCBMBB-UHFFFAOYSA-N 239.274 2.723 30 20 BFED CC(CCO)=NNc1ccccc1C(F)(F)F 749853254 GLJLKYZOCHYDIU-UHFFFAOYSA-N 246.232 2.876 30 20 BFED C/C=C(/C)C(=O)OCc1ccc(F)cc1C#N 750902362 WXUFAMUDLYZBMW-OQFOIZHKSA-N 233.242 2.707 30 20 BFED C=C(C)COC(=O)c1ccc(OCCC)c(N)c1 754609412 RPWFXISKCWAWMN-UHFFFAOYSA-N 249.310 2.791 30 20 BFED CCON=C1C[C@H](C)N(Cc2ccccc2)C1 757564530 JOOMKLNOJPUXHK-LBPRGKRZSA-N 232.327 2.673 30 20 BFED COc1cc(C)nc(NN=C(C)CC2CCC2)n1 758378030 IEWDHHVRPFEFBG-UHFFFAOYSA-N 248.330 2.772 30 20 BFED CC(Cc1cccc(F)c1)=NNc1cccnn1 759197836 YWRKWJBBXOMGSI-UHFFFAOYSA-N 244.273 2.646 30 20 BFED CC(=NNc1ccccn1)c1ccc(C#N)s1 762443013 NYGPXJBWPVNBKQ-UHFFFAOYSA-N 242.307 2.851 30 20 BFED C(=NN[C@@H]1C[C@H]2CC[C@H]1C2)c1cccs1 774606206 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244.338 2.593 30 20 BFED CCCCCCCS(=O)(=O)N(C)CC(C)C 799764340 CNHAMCFZGFBIPN-UHFFFAOYSA-N 249.420 2.874 30 20 BFED C#C[C@@H](CC)NC(=O)Nc1cccc(CC)c1 806122956 KSEMKQAPSXURBM-LBPRGKRZSA-N 230.311 2.782 30 20 BFED C[C@H]1CC(C)(C)CC1=NN[C@H]1CCSC1 807999082 XYJVAXDLDSASMR-UWVGGRQHSA-N 226.389 2.894 30 20 BFED CCC(=NN[C@@H]1CCSC1)c1cccs1 808004513 RNUHYTUGCZKPAZ-SECBINFHSA-N 240.397 2.957 30 20 BFED C#Cc1ccccc1CC(=O)OCCCSC 810696576 MXLFQTINYZDUEG-UHFFFAOYSA-N 248.347 2.507 30 20 BFED C#C[C@H](NC(=O)/C=C/C)c1ccc(Cl)cc1 811949114 PSPSBAZZNDFCHV-PYEVWLCESA-N 233.698 2.707 30 20 BFED Cc1cccn2c(C=NOC3CCC3)cnc12 812238115 NDNWUNVJNMRWNB-UHFFFAOYSA-N 229.283 2.546 30 20 BFED C#CCN(c1cc(C)c([N+](=O)[O-])cc1F)C1CC1 812467838 ZIGQCJWGWRRBHI-UHFFFAOYSA-N 248.257 2.644 30 20 BFED C=C(C)CNN=Cc1cc(C(=O)O)c(C)cc1C 814932783 RWNMOFGKXDZHMU-UHFFFAOYSA-N 246.310 2.501 30 20 BFED C#CCOCCN[C@H]1CCCCC12CCCC2 815615107 IPLIHIQBNZGUQX-AWEZNQCLSA-N 235.371 2.729 30 20 BFED C[C@H](C(=O)OCC1(C#N)CCC1)C(C)(F)F 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C=CCCO[C@@H](C)C(=O)OCC[C@@H](C)SC 835663118 HJLXZOSJGKZCIQ-MNOVXSKESA-N 246.372 2.652 30 20 BFED CC[C@@H](NC(=O)C#CC1CC1)c1ccccc1 837332141 ZAVNXNHUMBEUQP-CQSZACIVSA-N 227.307 2.667 30 20 BFED C=CCCCCOC(=O)c1cc(O)cc(O)c1 837613795 APTIRAPGYBCDMJ-UHFFFAOYSA-N 236.267 2.611 30 20 BFED CC(C)[C@H]1N(C(=O)C#CC2CC2)CC12CCCC2 837693325 QMFSWLODEXFNKH-OAHLLOKOSA-N 245.366 2.827 30 20 BFED CCOc1ccc(NC(=O)C#CC2CC2)c(F)c1 840556671 MQWGZTAZJOOTCF-UHFFFAOYSA-N 247.269 2.576 30 20 BFED Fc1cccc(C=NOC[C@H]2C[C@H]3CC[C@H]2O3)c1 842019526 VCHJWMSRNSGHRR-MRVWCRGKSA-N 249.285 2.744 30 20 BFED C=C(C)CON=C1CCC[C@@H]1CCOC 844618402 SRSKRWLNBZLGNN-LLVKDONJSA-N 211.305 2.772 30 20 BFED C=C[C@H](C)ON=C(C)c1cccc(OC)c1O 844621315 YHNDFMDGNZSHDP-VIFPVBQESA-N 235.283 2.716 30 20 BFED C=C[C@H](C)ON=Cc1cccc(OC)c1 844622319 BWAIDXUKXKMODX-JTQLQIEISA-N 205.257 2.620 30 20 BFED N#CCCCCOC(=O)[C@@H]1C[C@H]1C1CCC1 845223157 JOTHWZKCUVXYEE-NWDGAFQWSA-N 221.300 2.660 30 20 BFED C=C[C@H](C)ONC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C 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30 20 BFED CCCN(CCCSCC#N)C1CC1 173882554 RGRSREIQCMZIBO-UHFFFAOYSA-N 212.362 2.508 30 20 BFED C=CCCCC(=O)NCCCOCC(C)C 175191175 NCPXNZZAGPLLJK-UHFFFAOYSA-N 227.348 2.522 30 20 BFED N#Cc1ccc(COC(=O)[C@@H]2C[C@H]2C2CC2)cc1 175572701 QZEMHMFOZPSTBM-UONOGXRCSA-N 241.290 2.648 30 20 BFED CCCCCCCC(=O)N(C)C[C@H]1CCOC1 177256702 QBMRIQYWTMHTSL-CYBMUJFWSA-N 241.375 2.842 30 20 BFED CCC(CC)(CC)NC(=O)c1cc(C#N)c[nH]1 177890430 DDIRGGZJRVSVJM-UHFFFAOYSA-N 233.315 2.585 30 20 BFED C#CCCCCC(=O)NCc1ccccc1C 179645664 SNIKUEXHPZZRPQ-UHFFFAOYSA-N 229.323 2.805 30 20 BFED C=C(C)COc1cc(N(C)C)ccc1C(C)=O 183267594 GKNCLZNAVYROMM-UHFFFAOYSA-N 233.311 2.910 30 20 BFED N#C[C@@H]1CCC[C@H](NCc2cccc(F)c2)C1 185765354 LSQPFBKASFXKMS-RISCZKNCSA-N 232.302 2.998 30 20 BFED C#C[C@@H](C)/N=C/c1ccc(OCCC)cc1O 186847393 AFMZNFKWDDHFDU-HGLKBHAMSA-N 231.295 2.622 30 20 BFED C=CCNC(=O)N(C)CC1(c2ccccc2)CC1 186938127 ZACZQLWATACJAN-UHFFFAOYSA-N 244.338 2.546 30 20 BFED C=CC[C@@H](C)NC(=O)Cc1ccccc1CC 188424744 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Cc1csc([C@H](C#N)C(=O)C[C@H]2C=CCC2)n1 41518857 CAUQGDNPXWNMRQ-WDEREUQCSA-N 246.335 2.984 30 20 BFED CN(CCCCC#N)Cc1ccccc1F 42224158 SBQORZRIVQRSIG-UHFFFAOYSA-N 220.291 2.951 30 20 BFED CCC[C@H](C#N)NC(=O)CCc1cccc(C)c1 51967784 RIOJOMRPNGYQNH-CQSZACIVSA-N 244.338 2.736 30 20 BFED N#Cc1nccnc1Oc1ccc(F)cc1Cl 54380196 FWOUIVBNXGUUQL-UHFFFAOYSA-N 249.632 2.933 30 20 BFED CCCCCCC[C@H](C)N[C@@H](C)C(=O)OC 59460240 MAXDRFDFHSGELC-RYUDHWBXSA-N 229.364 2.887 30 20 BFED C[C@@H]1CCC[C@@H]1NCc1cccc(C#N)c1 70826286 FZYJMIMRNRHLPT-RISCZKNCSA-N 214.312 2.836 30 20 BFED Cn1cccc1[C@@H]1CCCN1CCCCC#N 71122790 DQSSOPFNDNFYGC-AWEZNQCLSA-N 231.343 2.856 30 20 BFED C=CCN(CC=C)C(=O)N[C@@H]1CCC[C@H](C)C1 79516752 XAPHVYMZUFZCQN-QWHCGFSZSA-N 236.359 2.949 30 20 BFED CCC(CC)(CCO)CNc1ncccc1C#N 80700182 AEKOMEQWNJSPOL-UHFFFAOYSA-N 247.342 2.554 30 20 BFED CCc1cc(Cl)nc(Cl)c1C#N 91301651 DFWAILJEAWUIEO-UHFFFAOYSA-N 201.056 2.822 30 20 BFED CC1(C)CN(c2cnccc2C#N)C1(C)C 91731353 YHWYJHNNJYWYEX-UHFFFAOYSA-N 215.300 2.578 30 20 BFED CCCCOc1ccc(C#N)c(OC)c1 98198658 KPODUWAJDBKYPM-UHFFFAOYSA-N 205.257 2.746 30 20 BFED CC[C@H](C#N)C(=O)N(CCC(C)C)C1CC1 109829201 SELCFYFQKWBBAX-LLVKDONJSA-N 222.332 2.573 30 20 BFED CCC[C@H](C#N)NC(=O)c1cc(C)c(C)s1 112204235 WJIUIHXSAPLODB-SNVBAGLBSA-N 236.340 2.787 30 20 BFED CC[C@H](CC1CCCC1)C(=O)N[C@H](C)C#N 114320771 HKVVKLXUYLEUHO-ZYHUDNBSSA-N 222.332 2.621 30 20 BFED CC#CCN[C@H]1CCC[C@@H]1c1ccccc1 119405150 OMYHVNZPMKLEQY-CABCVRRESA-N 213.324 2.936 30 20 BFED C[C@@H](NCc1cc(C#N)cs1)C1CCC1 119607466 GKUNQTIGNLPSFD-SECBINFHSA-N 220.341 2.898 30 20 BFED C#CCN(Cc1ccc(F)cc1)CC(F)(F)F 126224532 MOLKPMSINKVDKT-UHFFFAOYSA-N 245.219 2.823 30 20 BFED CC[C@H](C)C(=O)N(C)c1ccccc1C#N 127480641 QEJNSGNKNPCLKW-JTQLQIEISA-N 216.284 2.567 30 20 BFED C=CCSCCNCc1cc(C)oc1C 127619872 HLMQVVSQBNKMPO-UHFFFAOYSA-N 225.357 2.905 30 20 BFED N#Cc1ncccc1NCc1cccc(F)c1 129858591 LAHDGWHIEVRTHQ-UHFFFAOYSA-N 227.242 2.704 30 20 BFED C=CC1CCN(Cn2cc(C)cnc2=S)CC1 132601883 VVOWNGDDXYNOQB-UHFFFAOYSA-N 249.383 2.777 30 20 BFED C=C[C@](C)(CC)C(=O)N1C[C@H](C)O[C@@H](CC)C1 135038233 ARVBEEPFPWFFFR-SGMGOOAPSA-N 239.359 2.615 30 20 BFED C=CCCCCCN(C)Cc1ncc[nH]1 150884885 JSZPBXXOOOALCV-UHFFFAOYSA-N 207.321 2.588 30 20 BFED C=C[C@H](C)NC(=O)c1ccc(OC(F)F)cc1 154253606 UVOZCYFGXOGKRZ-QMMMGPOBSA-N 241.237 2.592 30 20 BFED C=C[C@H](C)N[C@@H](C)c1ccc(OC)cc1 157281033 GKGASAXCKKTEPJ-QWRGUYRKSA-N 205.301 2.920 30 20 BFED N#Cc1cccc(/C=C/c2ccncn2)c1 157317670 LYMSTEPNLVITOR-SNAWJCMRSA-N 207.236 2.519 30 20 BFED CC[C@H](CC#N)NC(=O)Nc1ccsc1 157661183 JNIXHNYKRPAGHL-MRVPVSSYSA-N 223.301 2.562 30 20 BFED C[C@@H](C1CC1)N(C)Cc1ccc(C#N)s1 158092452 FXHHWWXFNFENMQ-VIFPVBQESA-N 220.341 2.850 30 20 BFED C=CCCCN(C)Cc1cccc(N)c1 160517339 YSFQOCPUZNRBPG-UHFFFAOYSA-N 204.317 2.667 30 20 BFED C=CCN(C)C(=O)C[C@H](C)c1cccc(F)c1 161782885 JPEHWSQGFXTNFB-NSHDSACASA-N 235.302 2.964 30 20 BFED C#CCCCN[C@@H](CC)c1nccs1 163087424 JIEDXQNJXILNNS-JTQLQIEISA-N 208.330 2.597 30 20 BFED C=CC[C@@H](C)NCc1ccn(-c2ccccc2)n1 163661775 ZLHYBDWJRRTGJB-CYBMUJFWSA-N 241.338 2.927 30 20 BFED C=CCCN[C@@H](C)c1ccc(F)cc1O 168511855 MDJLXIZTDRRMEE-VIFPVBQESA-N 209.264 2.758 30 20 BFED C=C(C)COCCN[C@@H](C)c1ccc(C)cc1O 168845298 ZYIXEGNRRNISCP-ZDUSSCGKSA-N 249.354 2.944 30 20 BFED N#Cc1cccc(CSC[C@@H]2CCCO2)c1 170941231 HDLRMMIWRZFTDJ-ZDUSSCGKSA-N 233.336 2.970 30 20 BFED CC[C@@H](C#N)NC(=O)c1cc2cc(F)ccc2o1 172115108 IXDDFCJCLBJCMM-JTQLQIEISA-N 246.241 2.604 30 20 BFED CC[C@@H](C)c1cc(C(=O)NCCCCC#N)on1 172832977 WHUYHZCIKPXNGT-SNVBAGLBSA-N 249.314 2.612 30 20 BFED C=CCOCCCC(=O)N(C)CC1CCCC1 172910504 WONJLPKRVTWNCS-UHFFFAOYSA-N 239.359 2.618 30 20 BFED C[C@H](C#N)NC(=O)c1ccc(OC(C)(C)C)cc1 176038930 GQJPTITVSWLKTE-SNVBAGLBSA-N 246.310 2.506 30 20 BFED N#C[C@@H](OC(=O)c1cc2c(s1)CCC2)C1CC1 177026168 QXWZOZPNDVZFMM-SNVBAGLBSA-N 247.319 2.696 30 20 BFED CCN(Cc1cccc(COC)c1)C[C@@H](C)C#N 179205608 VLYVRRUFCIRCFU-ZDUSSCGKSA-N 246.354 2.815 30 20 BFED C#CCCCNCc1cc(F)ccc1C 180258928 GDJJYUYDJLQDTB-UHFFFAOYSA-N 205.276 2.637 30 20 BFED CCCN(CC#N)CCCc1cccc(F)c1 182795978 AWOSKXGPEUNXBQ-UHFFFAOYSA-N 234.318 2.994 30 20 BFED C#C[C@@H](C)NC(=O)c1ccc(O[C@@H](C)CC)cc1 186117669 XANFJKHFHMFPQT-NEPJUHHUSA-N 245.322 2.615 30 20 BFED C=C[C@@](C)(CCOC)C(=O)N(C)c1ccccc1 188006876 NNDBCLCJFDTRPN-HNNXBMFYSA-N 247.338 2.878 30 20 BFED C#CCCCNCc1ccc(OCC2CC2)cc1 191226245 IQCCEWGUYJFUFG-UHFFFAOYSA-N 243.350 2.978 30 20 BFED C#CCCCC(=O)Nc1ccc(C)cc1 192034872 FOPMRRCFCRBVPK-UHFFFAOYSA-N 201.269 2.737 30 20 BFED C#CCCCC(=O)Oc1ccc(C)cc1OC 192064067 GNSZQVHDEBWRCS-UHFFFAOYSA-N 232.279 2.713 30 20 BFED C=CCOc1cccc(NC(=O)C[C@@H](C)OC)c1 195382533 SYZKCCYJVDFDKT-LLVKDONJSA-N 249.310 2.615 30 20 BFED CCC[C@@](C)(O)CN[C@@H](C)c1cccc(C#N)c1 224645915 VLLYVABEGILNCT-SWLSCSKDSA-N 246.354 2.760 30 20 BFED N#CC1CCN(C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 251517033 WHCPWOWJBLAQEE-IHRRRGAJSA-N 218.344 2.658 30 20 BFED Cc1ccoc1CN1CCC[C@H](CC#N)C1 260311131 ZQYPEWHRDVKNEG-GFCCVEGCSA-N 218.300 2.714 30 20 BFED C=CCNC(=O)N[C@H](C)c1cc(C)cc(C)c1 264350533 HEKHNRICSJZWFU-GFCCVEGCSA-N 232.327 2.850 30 20 BFED C=CC[C@@H](C)NC(=O)N(C)[C@H](C)c1ccncc1 265421671 KAZJHMHNVGWVEX-VXGBXAGGSA-N 247.342 2.749 30 20 BFED CCCC[C@@H](COC)Nc1ncccc1C#N 265498565 MHNLGVZFOXNUPI-LBPRGKRZSA-N 233.315 2.570 30 20 BFED C[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)C1 265579082 XWTUXGSUNITUJB-VXGBXAGGSA-N 214.312 2.961 30 20 BFED COc1cccc(C2(NCCCCC#N)CC2)c1 271707690 NAEZVPPUCYLDHL-UHFFFAOYSA-N 244.338 2.968 30 20 BFED C=CCN(CCc1ccco1)C(=O)/C=C/C=C/C 272446501 JDQPVTATLVJPBZ-USXIXMCRSA-N 245.322 2.969 30 20 BFED C=CCN(Cc1ccc2c(c1)CCO2)C1CC1 273358624 CFTLGTDPISFLOH-UHFFFAOYSA-N 229.323 2.772 30 20 BFED C=CCCCCNC(=O)c1cnn(CC(C)C)c1 274619462 LYVGTMLCHXBJGU-UHFFFAOYSA-N 249.358 2.625 30 20 BFED C=CCCN(C)C[C@@H](O)c1ccc(F)cc1F 276489546 UNRNHZQRFXXCGW-CYBMUJFWSA-N 241.281 2.506 30 20 BFED C#CCCCC(=O)N(C)Cc1cccc(C)c1 277219529 LNSLMPTZIZXWTF-UHFFFAOYSA-N 229.323 2.757 30 20 BFED CCOc1ccc(CN(CC)CC#N)cc1F 278405395 GJZRXRIBPWODEC-UHFFFAOYSA-N 236.290 2.570 30 20 BFED C=C(C)CN(CC)C(=O)c1conc1C1CC1 281018871 TWOBZVGAGNSCRC-UHFFFAOYSA-N 234.299 2.590 30 20 BFED Cc1oc(C(C)C)cc1C(=O)NC1(C#N)CCC1 285176311 UKSDJNMQYXHKIC-UHFFFAOYSA-N 246.310 2.888 30 20 BFED C#CCNC(=O)N(C1CC1)[C@H](C)c1ccccc1 285197331 VSWHCIKTSBCFSD-GFCCVEGCSA-N 242.322 2.555 30 20 BFED CCOC1CC(N(C)c2ccc(C#N)cc2F)C1 288151646 CEBHRGLYPVHBEA-UHFFFAOYSA-N 248.301 2.701 30 20 BFED C#Cc1ccc(CNCC(F)(F)C(F)F)cc1 289519318 DQLOKJGSJGHNEZ-UHFFFAOYSA-N 245.219 2.658 30 20 BFED C=C(C)CCNc1ccc(CCO)cc1OC 290693703 UXMSHAIMBAQLEG-UHFFFAOYSA-N 235.327 2.608 30 20 BFED C[C@H]1c2ccccc2CCN1C(=O)CCCC#N 292150594 PNKOZEWANYGSJU-LBPRGKRZSA-N 242.322 2.826 30 20 BFED CC#CCN(C)C(=O)[C@H](C)Cc1ccc(C)cc1 294434779 GHNQIXCUAZNVEX-CQSZACIVSA-N 243.350 2.655 30 20 BFED C=CC(C)(C)C(=O)N1CCc2ccc(C#N)cc21 296568488 QGOJCGASVGTVOT-UHFFFAOYSA-N 240.306 2.660 30 20 BFED Cc1ccc(C)c(OCCN(CC#N)C2CC2)c1 299523014 IIZVUSULOLNGBM-UHFFFAOYSA-N 244.338 2.670 30 20 BFED Clc1cnc(CON=C2CCC2)s1 306284047 JBWJYLAEFZVWLJ-UHFFFAOYSA-N 216.693 2.853 30 20 BFED N#CC1(CNc2ncc(Cl)s2)CC1 306946664 NBTLVZBFZPRWMY-UHFFFAOYSA-N 213.693 2.512 30 20 BFED C=C(C)CNc1cc2c(cc1C)OCO2 308814208 ABNQULPLFQIIPS-UHFFFAOYSA-N 205.257 2.712 30 20 BFED CCO/C=C1/C(=O)c2ccccc2[C@H]1C 309025498 XTNRPFCNZQOSDC-YXYQAXARSA-N 202.253 2.907 30 20 BFED CN(c1ccnc(C#N)n1)C1CCCCCC1 310406958 OJQSMFQALCTUAC-UHFFFAOYSA-N 230.315 2.507 30 20 BFED C=CCC[C@H](CO)NCc1cccc(C)c1F 321431504 LUHDTKDQICBKMA-CYBMUJFWSA-N 237.318 2.551 30 20 BFED CC(C)C[C@H]1CCN(/C(O)=N/CCCC#N)C1 330841517 MNGVURYHMCOZMC-GFCCVEGCSA-N 237.347 2.572 30 20 BFED CC[C@H](CC(=O)N[C@H]1CCC[C@H]1C#N)C(C)C 331106155 QVFPFKMNMNBLMP-AGIUHOORSA-N 236.359 2.867 30 20 BFED CCC1(NC(=O)NCC2CCC(C#N)CC2)CC1 331791882 HIZFTFIAWJPMTP-UHFFFAOYSA-N 249.358 2.558 30 20 BFED C[C@@H]1CC[C@@H](N(C)C(=O)c2cscc2C#N)C1 334194639 JZKIYNXZGPZXMC-MWLCHTKSSA-N 248.351 2.880 30 20 BFED Cc1ccc(-c2noc([C@]3(C#N)C[C@@H]3C)n2)s1 334666790 JHDKHDAEPSEYPK-MADCSZMMSA-N 245.307 2.908 30 20 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30 20 BFED C=CCn1cccc1C(=O)N[C@@H](CC)C(C)C 488992879 MAZBKRAFONYBEQ-LBPRGKRZSA-N 234.343 2.839 30 20 BFED C=C[C@@H]1CCCCN1Cc1cnc2ccccn12 489489826 AFPQQYDMTHPMCH-CYBMUJFWSA-N 241.338 2.875 30 20 BFED C=CCN(C)C(=O)C[C@H](OCC)C1=CCCC1 490034944 SQIKUTGWVBVMRR-ZDUSSCGKSA-N 237.343 2.536 30 20 BFED C#C[C@H](Nc1ncccn1)c1ccc(Cl)cc1 491731270 PWGZERLRJXJIPU-LBPRGKRZSA-N 243.697 2.916 30 20 BFED N#CCC1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 517034442 AIJNRSISDANWRQ-UONOGXRCSA-N 246.354 2.575 30 20 BFED CC(C)[C@H]1CCC[C@H](Nc2cncc(C#N)n2)C1 517352098 SYMHYUVBXATJKZ-RYUDHWBXSA-N 244.342 2.975 30 20 BFED N#CC1(CNC(=O)CC2CCCCCC2)CC1 518471426 ZBQQTAYBMKRHFL-UHFFFAOYSA-N 234.343 2.767 30 20 BFED C=CC[C@H](CO)CN[C@@H]1CCCC[C@@H]1C(C)C 539295564 NYWMANICYXMOQV-RRFJBIMHSA-N 239.403 2.975 30 20 BFED CC(C)[C@H]1CCCCN1C(=O)NCC1(C#N)CC1 559343773 PJORFKVIDXAPFZ-GFCCVEGCSA-N 249.358 2.510 30 20 BFED CC(C)(CC#N)CSc1nc2c([nH]1)CCC2 566864356 CFMAJVIPRQBEGR-UHFFFAOYSA-N 235.356 2.930 30 20 BFED 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236.403 2.851 30 20 BFED C=CCC(C)(C)CNC(=O)C1(C)CCOCC1 647121391 AHZHMOLCRFZJTM-UHFFFAOYSA-N 239.359 2.522 30 20 BFED CC#CCCN1CCC2(CC1)CC2(F)F 649774065 QLQBJVBSBCENND-UHFFFAOYSA-N 213.271 2.521 30 20 BFED CC#CCCN(Cc1cnn(CC)c1)C(C)C 649814483 QSLFRTXBGZZFLY-UHFFFAOYSA-N 233.359 2.527 30 20 BFED C=C[C@H](C)Nc1ncc(Cl)c(OCC)n1 651328128 QIXWGEBDLZVKQA-ZETCQYMHSA-N 227.695 2.515 30 20 BFED C=CCC1(C(=O)N2CCC[C@@H]3C[C@H]32)CCC1 672135774 JBYIEBXQQWIOFI-VXGBXAGGSA-N 219.328 2.744 30 20 BFED CC#CCCCC(=O)NC(C)(C)C(C)C 680997470 BPCORNOHLDCLHW-UHFFFAOYSA-N 209.333 2.731 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@H](C)C[C@@H]1CCOC1 682361454 WGJBDWNUXIVDOF-MBNYWOFBSA-N 239.359 2.520 30 20 BFED C=CCCCSCCCN1CCOC1=O 735507447 RVTXSMMYRBMJEX-UHFFFAOYSA-N 229.345 2.528 30 20 BFED CC(=NNc1c(F)cccc1F)[C@@H]1CCOC1 741763182 CNNCZOZDELLOBR-SECBINFHSA-N 240.253 2.789 30 20 BFED CCOCCCON=Cc1ccc(F)cc1 742351839 FVTHYTHHOQXFMG-UHFFFAOYSA-N 225.263 2.603 30 20 BFED C=CCN(Cc1cccc(C#N)c1)C(=O)/C=C/C 745063829 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BFED C=CCOC(=O)c1ccc2nccc(C)c2c1 796837432 AYQWNYJDJSHAKD-UHFFFAOYSA-N 227.263 2.886 30 20 BFED C#C[C@H](CCC)NC(=O)NC[C@@H]1CCC[C@@H]1C 798546124 OILAFZSKLNFQEO-RWMBFGLXSA-N 236.359 2.524 30 20 BFED Cc1cc(C)c(NCCO[C@@H](C)C#N)c(C)c1 802740718 RBIJGMLDVLUJJT-ZDUSSCGKSA-N 232.327 2.952 30 20 BFED C=CCCCCCCNC(=O)c1cc(C)[nH]n1 805219780 VTBOEVZSXBVINH-UHFFFAOYSA-N 235.331 2.584 30 20 BFED C/C=C(\CC)C(=O)NCC(C)(C)CCC#N 807722185 FRXOYWQFQWSSIW-VZUCSPMQSA-N 222.332 2.789 30 20 BFED C#Cc1ccccc1CC(=O)NCCCCCC 810017772 JLPZNNHXZAQIGW-UHFFFAOYSA-N 243.350 2.907 30 20 BFED C#Cc1ccccc1CC(=O)N[C@@H](C)C1CCC1 810734151 PNYXCECOVHVGTQ-LBPRGKRZSA-N 241.334 2.515 30 20 BFED Cc1cc(C=NNC[C@@H]2CCSC2)c(C)o1 811657072 DHIKJSXPQJDSBD-NSHDSACASA-N 238.356 2.573 30 20 BFED Cc1cc(C=NOC/C=C/Cl)c(C)o1 811667914 GRDGKLZXERPQTM-KJNQHJQGSA-N 213.664 2.999 30 20 BFED C1CC(ON=C2CCN(C3CCCC3)CC2)C1 812235158 NJXJNVYTYSELPV-UHFFFAOYSA-N 236.359 2.950 30 20 BFED CCC1(C)CN(C(=O)c2ccc(C)c(C#N)c2)C1 812692888 CUWCXHZNJVVYFD-UHFFFAOYSA-N 242.322 2.739 30 20 BFED CC(=NN[C@@H]1CCCC1(C)C)c1c[nH]nc1C 814917996 YDVNNTNPAPWLFC-GFCCVEGCSA-N 234.347 2.610 30 20 BFED CON(C[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CC[C@@H](C#N)C1 815120920 PLPDZJTTWTVJRP-AICCOOGYSA-N 248.370 2.978 30 20 BFED C=CCCCCCCN[C@H](C)C[C@@H](C)N 817932980 YSVMNHGZNILGOX-CHWSQXEVSA-N 212.381 2.838 30 20 BFED C#C[C@H](NC(=O)N[C@@H]1C[C@H]1C1CCC1)C(C)(C)C 823623177 CXCGHJDFWWCXDF-XQQFMLRXSA-N 248.370 2.522 30 20 BFED C#C[C@@H](NC(=O)N[C@H](C)CC=C)c1ccccc1 826024904 OBKDTRMKGSJCJR-TZMCWYRMSA-N 242.322 2.625 30 20 BFED CCCCOCCN[C@@H](C)CC(C)(C)C#N 829178805 HTRYIULHHIKNSR-LBPRGKRZSA-N 226.364 2.721 30 20 BFED CC1=C(C)C[C@@H](C(=O)O[C@@H](C)C#N)CC1 829793880 MVGAGKSTHVKATL-QWRGUYRKSA-N 207.273 2.578 30 20 BFED Cc1cccc(NN=C2C[C@H](C)O[C@@H]2C)c1 834914669 AYVZTEOAJLOOLV-WDEREUQCSA-N 218.300 2.960 30 20 BFED Cc1cccc(C=NOCCOC(C)C)c1F 834980308 WLZCXTZOAQTUDB-UHFFFAOYSA-N 239.290 2.910 30 20 BFED CC1(C)CCC(=NN[C@H]2CCOC2(C)C)C1 835016927 PAFCJSYNMJBNQT-NSHDSACASA-N 224.348 2.710 30 20 BFED CC[C@@H](C#N)OC(=O)C1=CC[C@@H](C)CC1 835212376 OUBSMGZLUMLVSO-KOLCDFICSA-N 207.273 2.578 30 20 BFED N#CC1(COC(=O)CSC2CC2)CCCC1 835282900 LRJNCPPHBPQVOH-UHFFFAOYSA-N 239.340 2.509 30 20 BFED C=CC(C)(C)COC(=O)c1ccc(C#N)cc1 835724107 GSOQMCKMBHBLEK-UHFFFAOYSA-N 229.279 2.927 30 20 BFED CC(C)CC(C)(C)CNC(=O)C#CC1CC1 837460633 RSTKLIUPRBYRSB-UHFFFAOYSA-N 221.344 2.588 30 20 BFED CC(C(=O)Nc1ccccc1C#N)=C1CCC1 839212511 YNCLOSDZBUKPPJ-UHFFFAOYSA-N 226.279 2.997 30 20 BFED CC[C@@H](C)NN=Cc1ccc(N(C)C)cc1C 841638380 QWBGDZNROPZULC-GFCCVEGCSA-N 233.359 2.783 30 20 BFED C=C[C@@](C)(CC)C(=O)OC[C@H](CC)OC 842092387 KGSFHRNSPCWCAJ-JQWIXIFHSA-N 214.305 2.557 30 20 BFED C#CCC(C)(C)COC(=O)[C@@H](CC(C)C)OC 842329455 HQLDPLUZUWDYBJ-GFCCVEGCSA-N 240.343 2.640 30 20 BFED C=CCN(Cc1ccnn1CC(C)C)C(C)C 843393984 FZEPNHDEAQAQEF-UHFFFAOYSA-N 235.375 2.936 30 20 BFED C=C[C@@H](C)ONC(=O)[C@H](C)CC1CCCC1 846546673 XLELFWKNDSBWDR-GHMZBOCLSA-N 225.332 2.825 30 20 BFED C=C[C@H](C)ONC(=O)c1ccc(C)nc1C(C)C 846555052 QSMLZWMEGGFKLK-NSHDSACASA-N 248.326 2.749 30 20 BFED CC[C@H](CC#N)NCc1ccc(CF)cc1 846988070 QQBVKYNPSBVITM-CYBMUJFWSA-N 220.291 2.938 30 20 BFED C#C[C@@H](C)NC(=O)c1ccc(C(F)F)cc1F 847076711 GYKVOVUYEQEAIM-SSDOTTSWSA-N 241.212 2.515 30 20 BFED C#C[C@@H](NC(=O)CC1(C#N)CCCCC1)C(C)C 847112314 BWGMSRAZXNULQM-CYBMUJFWSA-N 246.354 2.625 30 20 BFED C=CCNC(=N)NCCCCCc1ccccc1 849002226 VOFBNAVASGQZNK-UHFFFAOYSA-N 245.370 2.699 30 20 BFED CC[C@H](/N=C\c1ccccc1O)C1CC1 849172554 UVGLOGUQZNMLQV-CJAAZZPWSA-N 203.285 3.000 30 20 BFED C=CC(C)(C)COC(=O)c1ccnn1CCC 851063612 FCFHNUKYILXLLS-UHFFFAOYSA-N 236.315 2.662 30 20 BFED C=CC(C)(C)CCOC(=O)[C@H](C)OCC1CC1 851299351 IBBJYGZQSBQNIE-NSHDSACASA-N 240.343 2.947 30 20 BFED COc1cccc(NN=C[C@H](OC)C2CC2)c1 853283065 AQGAGDMYCFQXGQ-ZDUSSCGKSA-N 234.299 2.518 30 20 BFED CCCNN=Cc1cc2ccncc2s1 853288732 FEXSMMZFZRHUTA-UHFFFAOYSA-N 219.313 2.630 30 20 BFED C=CCCC(C)(C)NC(=O)C(F)(F)CC 856374495 BOICKXDZWGNADG-UHFFFAOYSA-N 219.275 2.893 30 20 BFED C#CCCCCNC(=O)OCCC(C)C 859062520 QOYFOHUGJACDAL-UHFFFAOYSA-N 211.305 2.562 30 20 BFED C=CC(C)(C)C(=O)OCc1ncccc1Cl 859710898 SUDGLSCLADVRSU-UHFFFAOYSA-N 239.702 2.990 30 20 BFED Cc1nc(C#N)c(C#N)n1C[C@@H](C)C(C)(C)C 865363860 VZPMBVNLOZYBDI-SECBINFHSA-N 230.315 2.617 30 20 BFED S=C(NN=C1CC[C@@H]2C[C@H]12)Nc1ccccc1 872327603 HRCWMOCOLSPFGH-KOLCDFICSA-N 245.351 2.759 30 20 BFED Clc1ccc(NN=C2CC[C@@H]3C[C@H]23)cn1 872353813 QBMRIDRLZKQGHR-APPZFPTMSA-N 221.691 2.933 30 20 BFED C=CC(C)(C)CC(=O)Nc1cc(CC)nn1C 878868121 MBEHSEGIFAKBQY-UHFFFAOYSA-N 235.331 2.523 30 20 BFED C=CC(C)(C)CC(=O)Nc1cccc(CNC)c1 883509252 QUHFJAMQGNYRQO-UHFFFAOYSA-N 246.354 2.947 30 20 BFED Cc1ccc2oc(N3CCC[C@H](C#N)C3)nc2c1 895659297 RHZCAYBSOGYABT-LLVKDONJSA-N 241.294 2.876 30 20 BFED C=CC(C)(C)CC(=O)NOc1ccc(F)cc1 898576838 USBFLWUJDQULSL-UHFFFAOYSA-N 237.274 2.838 30 20 BFED CCn1cc(C=NOCc2ccccc2)c(C)n1 901164712 BOMHWOCUCXKFIC-UHFFFAOYSA-N 243.310 2.762 30 20 BFED C=CCC[C@H](N[C@@H]1CCC[C@H]1C(C)C)C(=O)O 901689361 DWWJIFIKTLEPRK-XQQFMLRXSA-N 239.359 2.820 30 20 BFED C=C(C)CCNc1ccc2c(c1)NC(=O)C2 902184465 IAJXPUKZZZUSFP-UHFFFAOYSA-N 216.284 2.559 30 20 BFED CC(=O)C(C)=NOCc1cccc(Cl)c1F 902761008 SBTVWQPHSQOTSY-UHFFFAOYSA-N 243.665 2.961 30 20 BFED N#Cc1ccc(SC2CCSCC2)nc1 916582549 OSHILFFPISCNIH-UHFFFAOYSA-N 236.365 2.941 30 20 BFED C#CC[C@H](N[C@@H]1COC[C@@H]1CC)c1ccccc1 925637647 PEXTWVHMVPWWKV-CWRNSKLLSA-N 243.350 2.766 30 20 BFED C=C(C)CCN[C@H]1CCCC[C@H]1CCCO 926519985 PGIFHRZPQMTVPK-KBPBESRZSA-N 225.376 2.874 30 20 BFED C=C1CN(C(=O)Nc2ccc(C)cc2F)C1 929203728 DXHMDPDRYUDYPS-UHFFFAOYSA-N 220.247 2.538 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1c(C)nn(C)c1C 1119751033 BTLRSUPWWXBMQO-NSHDSACASA-N 235.331 2.578 30 20 BFED C=C(C)CCC(=O)NCC[C@H]1CCO[C@@H](C)C1 1120950561 YUJOSQLERQPVIX-STQMWFEESA-N 239.359 2.664 30 20 BFED CCCCCCCN[C@@H](C)C[C@@H](C)NC(C)=O 1133436774 KJCJGTXRPHUGEZ-QWHCGFSZSA-N 242.407 2.850 30 20 BFED C=C[C@](C)(CC)C(=O)OCc1ccc(C#N)cn1 1320778266 XDEICCZAKXBWHH-CQSZACIVSA-N 244.294 2.599 30 20 BFED CC[C@H](Nc1cccc(CC#N)n1)C1CC1 1327726052 LMHHSMZNWDFHQC-LBPRGKRZSA-N 215.300 2.748 30 20 BFED C=C(C)CN(C)Cc1ccc(F)c(OC)c1 1328454909 CQJJWTZLVIXMSW-UHFFFAOYSA-N 223.291 2.842 30 20 BFED C=C(C)CCC(=O)NC1CC2(CCC2)C1 1335967693 UWDIERXUVZRQQX-UHFFFAOYSA-N 207.317 2.792 30 20 BFED CCC1(CNC(=O)c2ccc(C#N)cc2F)CC1 1336389168 LZYUVSZWENSXTR-UHFFFAOYSA-N 246.285 2.617 30 20 BFED Cn1ccc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)n1 1338903403 NKSNEAQVKCRYLQ-KXNHARMFSA-N 244.342 2.644 30 20 BFED C=CC(C)(C)CNC(=O)c1ncc(Cl)s1 1344413836 GTCCPSCCBAEUII-UHFFFAOYSA-N 244.747 2.739 30 20 BFED C[C@@H]1CC[C@@H](CNc2cccc(CC#N)n2)C1 1344429014 VYRGTEUXZZCBNU-VXGBXAGGSA-N 229.327 2.996 30 20 BFED C=C[C@H](CC)OC(=O)[C@@H]1C[C@H]1c1ccncc1 1345339009 IUIJRDOQTBFVNN-FRRDWIJNSA-N 231.295 2.693 30 20 BFED C=C(CC)C(=O)N1CCOc2ccc(C)cc2C1 1352189078 ISRHTNUOYIEMMG-UHFFFAOYSA-N 245.322 2.682 30 20 BFED C=CCN(C)c1nnc([C@@H]2C[C@@H]2C(C)(C)C)n1C 1355431399 CNCLFHOVPYAFBK-MNOVXSKESA-N 248.374 2.587 30 20 BFED C=C(CCC(=O)O)C(=O)Nc1c(C)cccc1C 1588630604 SSIHYGSGAKYNAH-UHFFFAOYSA-N 247.294 2.663 30 20 BFED C=C[C@@H](N[C@@H](C)c1cc(C)cc(C)c1)C(=O)O 1602815684 CJRQUPDPTRGWBH-WCQYABFASA-N 233.311 2.593 30 20 BFED C=CCCCN(CC)Cc1ccc(C(=O)O)[nH]1 1602875076 USSLMHNFXFSHIP-UHFFFAOYSA-N 236.315 2.501 30 20 BFED C=CCC[C@H]1CCCN1c1ccnc(C(=O)O)c1 1776170763 PZTXXPNZWMRCDV-NSHDSACASA-N 246.310 2.715 30 20 BFED C=CCCCN(CC)[C@H]1CC[C@H](CC(=O)O)C1 1776174096 GTJJRGULUYMLST-STQMWFEESA-N 239.359 2.918 30 20 BFED CCOc1ccc2nc(SCCC#N)[nH]c2c1 19847533 YLXHJNVJPZPBAE-UHFFFAOYSA-N 247.323 2.967 30 20 BFED CCCSCC(=O)Nc1ccccc1C#N 19870249 GRBXYTUTNMOMNR-UHFFFAOYSA-N 234.324 2.640 30 20 BFED C#CCOc1ccccc1CN[C@@H](C)C(C)C 20305462 WTLLWFDMYJPBQS-ZDUSSCGKSA-N 231.339 2.833 30 20 BFED CCC[C@H](C)NCc1ccc(OCC#N)cc1 34991562 UWLCIZQZQULUSP-LBPRGKRZSA-N 232.327 2.867 30 20 BFED CC[C@H](C(=O)N[C@@H](C#N)CC)c1ccccc1 40350937 PRCZYFBZHZFLGJ-OLZOCXBDSA-N 230.311 2.599 30 20 BFED CCN(CCC#N)CCCc1ccccc1 42454545 OLHMBECDNUSPHX-UHFFFAOYSA-N 216.328 2.855 30 20 BFED C[C@H](NC[C@@H]1CCCCO1)c1cccc(C#N)c1 42817129 KUEJSEGNYTXEEP-WFASDCNBSA-N 244.338 2.778 30 20 BFED CCCN(CC#N)Cc1ccc(OC)c(F)c1 45092554 FSXZPXCLSMVPHN-UHFFFAOYSA-N 236.290 2.570 30 20 BFED C=CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C 45935021 AFVPIVXPIQUKGA-TZMCWYRMSA-N 229.323 2.857 30 20 BFED Cc1ccc(/C=C/C(=O)c2cn(C)nc2C)s1 47380312 MQNKLKAYITZRFV-VOTSOKGWSA-N 246.335 2.995 30 20 BFED CCCN(CC#N)C(=O)C1CCCCCC1 53714596 RHIRVXDMAFVQJZ-UHFFFAOYSA-N 222.332 2.719 30 20 BFED CCCCCCCN1CCC(CN)CC1 59089466 JQXOORZQSISWOH-UHFFFAOYSA-N 212.381 2.628 30 20 BFED CC1(C)CCN(c2ccnc(C#N)c2)CC1 61821277 DQFYWNBHIBRMRN-UHFFFAOYSA-N 215.300 2.580 30 20 BFED C=C(C)CNc1cc(C#N)ccc1OCC 63472328 FWCOXYYUNNSKKR-UHFFFAOYSA-N 216.284 2.945 30 20 BFED C=C(Cl)CSc1nncn1C(C)(C)C 67751953 IYZZWMMMYUZZCX-UHFFFAOYSA-N 231.752 2.878 30 20 BFED C=CCN(CC1CCCCC1)C[C@@H](O)CC 70015800 WBNICCLQDHDWNG-AWEZNQCLSA-N 225.376 2.826 30 20 BFED C#CCOC(=O)[C@H](c1ccccc1)C(C)C 76845066 BWPOUUGVWMJLQL-ZDUSSCGKSA-N 216.280 2.603 30 20 BFED Cc1ccc(C#N)cc1NCc1nccs1 82493685 PTLNOPYGAURLTJ-UHFFFAOYSA-N 229.308 2.935 30 20 BFED CC[C@@H](C)[C@H](C)Nc1cccc(C#N)n1 82738299 WEBKVALVPWILKF-ZJUUUORDSA-N 203.289 2.800 30 20 BFED C[C@H](CC1CC1)NCc1cc(C#N)cs1 86500310 ZIFODHPNUCTVPR-SECBINFHSA-N 220.341 2.898 30 20 BFED C[C@@H](CC#N)N(C)C(=O)c1ccc2cc[nH]c2c1 103441964 HKVPYHLYTYBIPQ-JTQLQIEISA-N 241.294 2.542 30 20 BFED C[C@@H]1CCCN1c1ccc(F)cc1C#N 107037928 VNWVSWLIHKBUDJ-SECBINFHSA-N 204.248 2.686 30 20 BFED CCC(C#N)(CC)C(=O)Nc1ccncc1C 111043761 UUYMWRJRFXFLEN-UHFFFAOYSA-N 231.299 2.659 30 20 BFED C#CCCCCC(=O)Oc1cccc([N+](=O)[O-])c1 119514303 FFPMJSNAFOTPAI-UHFFFAOYSA-N 247.250 2.694 30 20 BFED C=CCNC(=O)NCCCC1CCCCC1 119782682 MERXMIYASVWHHH-UHFFFAOYSA-N 224.348 2.832 30 20 BFED COc1cc(C#N)ccc1CN1CCC[C@H](C)C1 120559915 IMBWNJPDJZWKLB-LBPRGKRZSA-N 244.338 2.799 30 20 BFED CC#CCNC(=O)CCCc1sccc1C 121009380 OIPSDNJGNQJWQP-UHFFFAOYSA-N 235.352 2.519 30 20 BFED C=CCN(CCCCc1ccccc1)CC(=O)O 122150360 SWOCOLQKTDTCQP-UHFFFAOYSA-N 247.338 2.582 30 20 BFED C=C(C)CNCc1nn(CC)c2ccccc12 122727267 OYNOVSHMPLEKCU-UHFFFAOYSA-N 229.327 2.722 30 20 BFED CC#CCSc1nncc2ccccc12 123947640 ARCIIGYXNBBXMG-UHFFFAOYSA-N 214.293 2.745 30 20 BFED C=C(C)COCCNCc1ccc2c(c1)CCC2 125803758 MOTPXSFRNVIZDP-UHFFFAOYSA-N 245.366 2.858 30 20 BFED C=CCC[C@H](C)N[C@@H]1CCCCC[C@@H]1O 132057786 XRXFACOAJOZEDD-XQQFMLRXSA-N 211.349 2.624 30 20 BFED C=C(CN[C@H](C)COCC)c1ccccc1 132310476 SKKDPIWQJHBBFN-CYBMUJFWSA-N 219.328 2.714 30 20 BFED CC[C@](C)(C#N)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 136173218 HLIRXHNBEJXWPJ-CIQGVGRVSA-N 236.359 2.867 30 20 BFED CC[C@](C)(C#N)C(=O)N(C)Cc1ccc(C)cc1 136182215 CQCGYUHODPRLON-OAHLLOKOSA-N 244.338 2.893 30 20 BFED CC[C@](C)(C#N)C(=O)NCc1ccccc1C 136197883 IPHRROFPHHDTCD-CQSZACIVSA-N 230.311 2.551 30 20 BFED C=C[C@@H](Cc1nc(COC)no1)c1ccccc1 136428054 VLDMRLOKOJTICQ-NSHDSACASA-N 244.294 2.728 30 20 BFED C=C1CCN(C(=O)CCc2ccc(F)cc2)CC1 144767864 ZXSUGDCGOIUQMK-UHFFFAOYSA-N 247.313 2.937 30 20 BFED C=C(C)CNC(=O)c1c(Cl)cccc1OC 153020006 GUDBMCSIDFDWIZ-UHFFFAOYSA-N 239.702 2.655 30 20 BFED C=CCC[C@H](CC)NC[C@H]1CCCC[C@@H]1O 160591276 WYNTVPIQIYBOIQ-RDBSUJKOSA-N 225.376 2.872 30 20 BFED C=C(C)CNC(=O)[C@@H]1C[C@H]1c1sccc1C 160974519 QZAYRWXRKGMBQY-GHMZBOCLSA-N 235.352 2.852 30 20 BFED C=CCN(C)C(=O)Cc1c[nH]c2cc(C)ccc12 161533828 ZCLHXIRSCUOYRN-UHFFFAOYSA-N 242.322 2.663 30 20 BFED CC[C@@H](CSC)N(C)c1ccnc(C#N)c1 167501499 LNOHTYZSIIMWAM-NSHDSACASA-N 235.356 2.531 30 20 BFED COc1cccnc1NCc1cccc(C#N)c1 169027088 OZOCYUORFJARHM-UHFFFAOYSA-N 239.278 2.574 30 20 BFED CCN(Cc1ccc(F)cc1C#N)C(C)C 171382296 FWUBEWSRVNCILP-UHFFFAOYSA-N 220.291 2.928 30 20 BFED C[C@H](NCCCCC#N)c1cccc([N+](=O)[O-])c1 173382649 OQEFEDRWVNQIBU-NSHDSACASA-N 247.298 2.939 30 20 BFED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)C(C)(C)C#N 177638378 NSOBYRWSMGADCY-WDEREUQCSA-N 236.359 2.867 30 20 BFED N#Cc1ccc(/C=C/c2cncs2)nc1 178323022 KOAXGOLALOXRJA-ONEGZZNKSA-N 213.265 2.580 30 20 BFED CC1(C)CCC[C@H](C(=O)N[C@H](C#N)C2CC2)C1 178897741 FSJYCLBBRKSZDP-NWDGAFQWSA-N 234.343 2.621 30 20 BFED C=C(C)CN(C)C(=O)N[C@H]1CCC[C@@H](C)C1 180691216 OWMKNFYFTBOBRR-NEPJUHHUSA-N 224.348 2.783 30 20 BFED C=C(C)CN(C)C(=O)N[C@H](C)CCSCC 181300224 VKKOREGKPXGDII-LLVKDONJSA-N 244.404 2.736 30 20 BFED CN(CCN[C@@H]1CCC[C@H](C#N)C1)C1CCCC1 185820058 IJWNQNGLTFMHHN-UONOGXRCSA-N 249.402 2.533 30 20 BFED C#C[C@@H](C)NC(=O)N[C@@H](C)CCC(C)(C)C 186080802 AGTSBTPWTQLJFD-MNOVXSKESA-N 224.348 2.522 30 20 BFED Cn1cc(CNc2ccc(F)cc2F)cc1C#N 189576194 WBOPAMHLWZQUCN-UHFFFAOYSA-N 247.248 2.787 30 20 BFED C=CCC1(C(=O)OCC2(CC#N)CC2)CCC1 192239308 BEHZWDXTMNLFEZ-UHFFFAOYSA-N 233.311 2.970 30 20 BFED C=C(C)[C@H](NC[C@@H](C)O)c1ccc(F)c(F)c1 192806493 KUEGYXQGKXUNAJ-RNCFNFMXSA-N 241.281 2.552 30 20 BFED C=C(Br)COC(=O)C1CCCC1 193995172 ONZLYJOBBOSOPZ-UHFFFAOYSA-N 233.105 2.628 30 20 BFED N#C[C@@H]1CCCC[C@@H]1NCc1ccc(O)cc1 228410989 XTEACAMZWRPRTF-JSGCOSHPSA-N 230.311 2.564 30 20 BFED 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C=CCCONC(=O)C[C@@H]1CCC[C@@H](C)C1 856031222 IFXQTARIVTWTCW-VXGBXAGGSA-N 225.332 2.827 30 20 BFED C=CCC[C@H](C)OC(=O)c1conc1CC 860434144 BRNPNSHVXWLXCD-VIFPVBQESA-N 223.272 2.749 30 20 BFED CC(C)C#CC(=O)Nc1ccc(F)c(F)c1F 864961493 ZSUCJJPZOHOFOV-UHFFFAOYSA-N 241.212 2.702 30 20 BFED CC(=O)Nc1cccc(C=NOCC(C)C)c1 872359517 HNRNJFGYDUSNLB-UHFFFAOYSA-N 234.299 2.652 30 20 BFED C=CC1(OC(=O)c2ccc(C(C)=O)cc2F)CC1 893364198 NLNFPAPVOLFWQI-UHFFFAOYSA-N 248.253 2.904 30 20 BFED N#CC1(CNC[C@@H]2CCc3ccccc32)CCC1 894967194 RDPJPHPGAQTFCJ-AWEZNQCLSA-N 240.350 3.000 30 20 BFED C=C(Cl)CSCc1cc(OC)no1 902425147 WBTXZLPFMZONSE-UHFFFAOYSA-N 219.693 2.669 30 20 BFED CCCCN(O)C(=O)Cc1ccsc1C 904213595 UBOSSLXOGUNYAZ-UHFFFAOYSA-N 227.329 2.617 30 20 BFED C=C[C@H](CC)CC(=O)OCC[C@H](C)C(C)=O 909524445 HTLLXRDMMIHSNB-CMPLNLGQSA-N 226.316 2.747 30 20 BFED C=CCCOC(=O)Cc1ccc(OC)cc1C 910002586 WLYAXJOHPIURQN-UHFFFAOYSA-N 234.295 2.665 30 20 BFED CCCCCCCOC(=O)[C@H]1CCOC1 910055948 LHXFDQQFSVKLRW-NSHDSACASA-N 214.305 2.537 30 20 BFED C[C@@](O)(CSc1cccc(C#N)c1)C(F)F 917179160 KDXIUKJUICZFAL-LLVKDONJSA-N 243.278 2.666 30 20 BFED C=CCN(C(=O)NC[C@H](C)C1CC1)C(C)C 920054617 SIRGGCORPWXCKL-NSHDSACASA-N 224.348 2.639 30 20 BFED C=CCC(C)(C)CN[C@H]1[C@H]2OC[C@H]3C[C@@H]1C[C@@H]32 926481453 JSEOLAYRKYQHBW-RGDJUOJXSA-N 235.371 2.602 30 20 BFED C=C[C@H](CC)CC(=O)NCc1cnc(C)s1 1119867824 DMPCCZMDEAIUQB-SNVBAGLBSA-N 238.356 2.670 30 20 BFED C=C(C)CCC(=O)Nc1cc(F)ccn1 1121133764 XYGLLMBCDQNDIW-UHFFFAOYSA-N 208.236 2.516 30 20 BFED C=C(CC)C(=O)N[C@@H](C)c1cnc(C)s1 1123936490 BPIAWTJJEJVZAE-QMMMGPOBSA-N 224.329 2.595 30 20 BFED N#CCc1cccc(NC2Cc3ccccc3C2)n1 1161758348 STOZQVIDCFPRHK-UHFFFAOYSA-N 249.317 2.727 30 20 BFED CC[C@H](C#N)OC(=O)CC(C1CC1)C1CC1 1320526359 VRCIIWSCEBSJLG-LLVKDONJSA-N 221.300 2.658 30 20 BFED C=CCOCCCc1nnc(C(C)(C)C)o1 1322964032 WYGDCWCSPUYNAE-UHFFFAOYSA-N 224.304 2.502 30 20 BFED C#CCCOC(=O)C1(Sc2ccccc2)CC1 1325216370 AMBWUPBNPTYIGZ-UHFFFAOYSA-N 246.331 2.878 30 20 BFED C=CC[C@H](NCC[C@H](C)c1ccccc1)C(=O)O 1331932060 LRDOYPQMPKGLAD-JSGCOSHPSA-N 247.338 2.799 30 20 BFED CC[C@H](C#N)N(CC)C(=O)C[C@@H](C)C1CC1 1340891979 LEWQVYROWBBWTL-ZYHUDNBSSA-N 222.332 2.573 30 20 BFED CCn1ccnc1[C@H](C#N)C(=O)[C@H](C)C(C)(C)C 1344325790 LPJUSZXCUDACGR-WDEREUQCSA-N 247.342 2.761 30 20 BFED C#Cc1cccc(N(C(=O)[C@H]2C[C@H]2F)C(C)C)c1 1517111258 NQFLDPHEUBGGKW-UONOGXRCSA-N 245.297 2.767 30 20 BFED C=C(CC)C(=O)NCCC1=CCCCC1 1518787149 BSMOJYDXFPQDQJ-UHFFFAOYSA-N 207.317 2.959 30 20 BFED Cc1nc(C#N)cc(N[C@@H]2C[C@H]2CC(C)(C)C)n1 1559230023 SBEPWLCBFQOMNR-CMPLNLGQSA-N 244.342 2.893 30 20 BFED C=C(CC)COc1ccc(N(C)C)c(C(=O)O)c1 1588606745 HZYJXKANRYRCJX-UHFFFAOYSA-N 249.310 2.796 30 20 BFED C=CC1CCN([C@@H]2CC[C@@H](CC(=O)O)C2)CC1 1776150162 VNUWFEUTVWUJQI-CHWSQXEVSA-N 237.343 2.528 30 20 BFED Cc1cccc(C(=O)Nc2sccc2C#N)n1 24597622 QNVMDLBBZDCONY-UHFFFAOYSA-N 243.291 2.576 30 20 BFED CC[C@@H](C)C(=O)Nc1ccc(OCC#N)cc1 28435858 FTTVMNQJNKSGDU-SNVBAGLBSA-N 232.283 2.574 30 20 BFED 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204.248 2.765 30 20 BFED CC(C)COCCN(CCC#N)CC(C)C 232644760 HAYOZBUPCDTJEI-UHFFFAOYSA-N 226.364 2.531 30 20 BFED N#CCCCc1nc(-c2ccccc2F)no1 236189456 WFSVHINQAFEPDA-UHFFFAOYSA-N 231.230 2.722 30 20 BFED CC[C@@H]1CN(CC(C)(C)CCC#N)C[C@@H](C)O1 245562147 OJSOHJDRTHCGQD-CHWSQXEVSA-N 238.375 2.816 30 20 BFED C#CCCCN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 245602233 KTXOSTQXIWAJNP-ARILJUKYSA-N 217.356 2.814 30 20 BFED N#Cc1ccsc1C(=O)O[C@H]1C[C@H]2CC[C@H]1C2 250288283 NTYAGWKBXRQNKV-QXEWZRGKSA-N 247.319 2.965 30 20 BFED N#CC[C@H]1CCCN(CCOc2ccccc2)C1 259925430 HHSQGMIQZFJGQA-CQSZACIVSA-N 244.338 2.691 30 20 BFED C#CCOc1cccc(NC(=O)[C@@H](C)CC)c1 264551809 ORVXJEQCALSQBL-NSHDSACASA-N 231.295 2.683 30 20 BFED C[C@H]1CCCCN1c1ncc(C#N)cc1Cl 265325224 SLHJLNWUEOXGOT-VIFPVBQESA-N 235.718 2.985 30 20 BFED C=C(Cl)CNC(=O)C[C@@H]1CC[C@H](C)C1 268247794 GITGYVNPXQODBV-WCBMZHEXSA-N 215.724 2.681 30 20 BFED COCCN(C)Cc1ccccc1C(C)(C)C#N 268977476 NTISGGDNKASGFL-UHFFFAOYSA-N 246.354 2.566 30 20 BFED 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243.266 2.769 30 20 BFED C=CCOCCSc1ccc(C)cn1 292779589 YIHIDPQUUAOLLR-UHFFFAOYSA-N 209.314 2.685 30 20 BFED CC#CCN(C)C(=O)C[C@H](C)c1ccccc1F 294577526 OLWVVEZZESRECN-LBPRGKRZSA-N 247.313 2.801 30 20 BFED N#Cc1c(F)cccc1Oc1ncc(Cl)cn1 301868374 WAMSXPQILJLLDA-UHFFFAOYSA-N 249.632 2.933 30 20 BFED C=C(Br)CN1CCC[C@](C)(C#N)C1 306695166 USQPHYIOPHDJRC-SNVBAGLBSA-N 243.148 2.521 30 20 BFED CC[C@H](CC(C)C)C(=O)N1CCC(C#N)CC1 308087148 KDFBETVTNZWZNC-CYBMUJFWSA-N 236.359 2.821 30 20 BFED COCC[C@H](C)Nc1cc(C)cc(C#N)c1 308112581 ZUWMRDFIZYYGOC-NSHDSACASA-N 218.300 2.704 30 20 BFED CCCN(CCC)c1cc(C#N)nc(CC)n1 308168294 MKJLQMBRVOHQHR-UHFFFAOYSA-N 232.331 2.537 30 20 BFED C=C(Cl)COC(=O)CCC1CCC1 308201501 YQFKOENYMWOXGK-UHFFFAOYSA-N 202.681 2.862 30 20 BFED C=C(C)CCNc1cc(C)nc(C#N)c1 308276088 GDICLBKKJOFTSK-UHFFFAOYSA-N 201.273 2.640 30 20 BFED Cc1cc(N2CCS[C@H](C)CC2)cc(C#N)n1 308281371 UZPWWSHHTRICPD-LLVKDONJSA-N 247.367 2.594 30 20 BFED Cc1nc(C#N)cc(NC2C[C@@H](C)C[C@H](C)C2)n1 308325110 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2.506 30 20 BFED CCC[C@](C)(CC)C(=O)N[C@H](C)CC#N 355375898 GBGSMLYEIIJNCD-PWSUYJOCSA-N 210.321 2.621 30 20 BFED C[C@H](C1CCC1)N(C)Cc1nc(C#N)cs1 356293620 LIYWHOJRHCDBQR-SECBINFHSA-N 235.356 2.635 30 20 BFED CC#CCCCC(=O)N1C[C@H]2CCCC[C@H]21 365781065 PQXXPHXAPQRFBK-CHWSQXEVSA-N 219.328 2.581 30 20 BFED C[C@@H]1SCC[C@@H]1NCC(C)(C)CCC#N 380185802 GVZVXWBJPQTUBP-QWRGUYRKSA-N 226.389 2.800 30 20 BFED C=C(CC)COC(=O)C[C@H](C)SC 388592145 AZVGODOUNFBHST-VIFPVBQESA-N 202.319 2.637 30 20 BFED C=CCOC(=O)[C@@H](C)SCCCC 393568740 YZBLUDDQNGQQJY-SECBINFHSA-N 202.319 2.637 30 20 BFED CCC[C@@H](C)C(=O)N1CCC[C@H](CC#N)C1 397597021 DTQAFQXXQZSGHI-VXGBXAGGSA-N 222.332 2.575 30 20 BFED CC(C)CCC(=O)N1CCC[C@@H](CC#N)C1 397641254 QZISTLGXNKTJNC-LBPRGKRZSA-N 222.332 2.575 30 20 BFED C#C[C@@H](CCC)NC(=O)[C@H](CC)CC(F)(F)F 402688191 FMHHSWWPFJDWKO-ZJUUUORDSA-N 249.276 2.883 30 20 BFED FC(F)(F)c1cccc(C#C[C@@H]2CCNC2)c1 404837130 KEFGLHISWDPKGY-LLVKDONJSA-N 239.240 2.666 30 20 BFED 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242.322 2.599 30 20 BFED C[C@@H](NCCc1ccc(C#N)cc1)C1CCC1 595055998 OJRCABXCDHLGSM-GFCCVEGCSA-N 228.339 2.879 30 20 BFED CC1(C)C[C@@H]1Nc1nc(C#N)c(Cl)s1 596087911 QQYUTXXUCXDDCA-LURJTMIESA-N 227.720 2.879 30 20 BFED N#CC[C@H]1CCCN(c2ncc(Cl)s2)C1 596331590 ZNORSOZZMUBBLK-MRVPVSSYSA-N 241.747 2.927 30 20 BFED Cc1scc(C(=O)N(C2CC2)[C@H](C)C#N)c1C 598134822 ZODKRDFLZSQBDD-MRVPVSSYSA-N 248.351 2.882 30 20 BFED C[C@@H](CCC#N)CNC[C@@H](C)Oc1ccccc1 602551412 CXVRINMGMLBZAH-UONOGXRCSA-N 246.354 2.983 30 20 BFED Cc1ccc(CN(C)C[C@H](C)CCC#N)nc1 602639895 CCWVZLAQCVERFO-CYBMUJFWSA-N 231.343 2.762 30 20 BFED C[C@@H]1CCN(Cc2ccnc(C#N)c2)C[C@H](C)C1 611040003 VMBCRABKAUUBGW-CHWSQXEVSA-N 243.354 2.821 30 20 BFED Cc1ccc(C#N)nc1N(C)Cc1ccsc1 611398899 BJTZBUUQPZUPJU-UHFFFAOYSA-N 243.335 2.960 30 20 BFED COCCCNc1nc(C(C)(C)C)ccc1C#N 613409298 XSIKOXBCFZPKRA-UHFFFAOYSA-N 247.342 2.699 30 20 BFED C=CC[C@H]1CCCN(C(=O)c2cccc(O)c2)C1 617789402 IDQHHNFZEVWRGZ-LBPRGKRZSA-N 245.322 2.821 30 20 BFED 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2.734 30 20 BFED Cc1cc(F)ccc1NN=Cc1cccnc1 750938953 RHKXYCFDNRUUFJ-UHFFFAOYSA-N 229.258 2.975 30 20 BFED C#CCCSc1ncnc2sccc12 751750043 KSHHVQWQTILWTE-UHFFFAOYSA-N 220.322 2.807 30 20 BFED C[C@H]1CC(=NNc2ccccc2F)CN1C1CC1 753956468 UBTJISROAKQACC-JTQLQIEISA-N 247.317 2.850 30 20 BFED C(=NNc1cnccn1)[C@@H]1CCc2ccccc21 755635383 YAZYBGUTLMRYKO-LBPRGKRZSA-N 238.294 2.604 30 20 BFED CC[C@@H](C)c1ccc(C(=O)OCC#N)cc1 756521087 BVICPPKRCYRGIX-SNVBAGLBSA-N 217.268 2.880 30 20 BFED Fc1ccc(C(F)(F)F)cc1C=NNC1CC1 758126209 BOGIWABYEPRSPK-UHFFFAOYSA-N 246.207 2.930 30 20 BFED C=C(CC)COC(=O)C(C)(C)CCOC 759676239 GHEWOTVEVOBANL-UHFFFAOYSA-N 214.305 2.559 30 20 BFED C=C(CC)CSC[C@H]1CC2(CC2)C(=O)O1 762406900 NGKPXSLJEKHHHP-SNVBAGLBSA-N 226.341 2.782 30 20 BFED Cc1cc(Cl)cc(C(=O)O[C@H](C)C#N)c1 764080408 WDTNKNQLRICDLI-MRVPVSSYSA-N 223.659 2.717 30 20 BFED CC(C)(C)c1n[nH]cc1C=NOCC(F)(F)F 764845662 YALQIDPCMTTZDE-UHFFFAOYSA-N 249.236 2.620 30 20 BFED FC(F)CNN=C1CC[C@H]1c1ccccc1 769793258 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LYKOMRMMEPTZOC-UHFFFAOYSA-N 247.323 2.706 30 20 BFED C[C@H]1CCCCN1N=Cc1cn(C)nc1C1CC1 901261895 QNXISUVRQYXZFP-NSHDSACASA-N 246.358 2.506 30 20 BFED C=CCC[C@H](N[C@H](CC)[C@@H]1CC1(C)C)C(=O)O 901689540 CPXWYRCTAVTFQT-TUAOUCFPSA-N 239.359 2.820 30 20 BFED CCCNC(=S)NN=C(C)c1ccc(C)cc1 916357286 IWRICLVIUBJBDT-UHFFFAOYSA-N 249.383 2.593 30 20 BFED CC(=NNc1oc(C)nc1C#N)c1ccc(C)o1 917555672 VFPZSUBWTINJBA-UHFFFAOYSA-N 244.254 2.592 30 20 BFED Clc1ccc(NN=C/C=C\c2ccco2)nn1 920358558 GNPBVKODFASZEH-POZGTCPKSA-N 248.673 2.834 30 20 BFED CC[C@H](C)C[C@@H](CO)N[C@H](C)CC(C)(C)C#N 926636323 VPUPVEVTFRCZLW-XQQFMLRXSA-N 240.391 2.701 30 20 BFED C#CCN(C(=O)CC(CC)CC)C(C)C 928627150 LQJGDHFKSKVOGF-UHFFFAOYSA-N 209.333 2.683 30 20 BFED CCCCN(C[C@H](O)CC#N)C1CCCCC1 929390182 DDKSSXDPBPDYCG-CQSZACIVSA-N 238.375 2.696 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@H](C)Cc1ccco1 930115602 ZHKLGMRPAAWDAA-NEPJUHHUSA-N 235.327 2.929 30 20 BFED C=C(C)CCNC(=O)Nc1sccc1C#N 931835910 OMEIKMSBTNNBCV-UHFFFAOYSA-N 235.312 2.707 30 20 BFED CCC[C@@H]1CCCN1C(=O)C#Cc1cccs1 1120711131 FWLYWTHMAZIQLZ-GFCCVEGCSA-N 247.363 2.891 30 20 BFED CC[C@H](C)[C@H](C)C(=O)[C@@H](C#N)c1nccn1CC 1123234188 RNJUFKKMUMLCLQ-SDDRHHMPSA-N 247.342 2.761 30 20 BFED C[C@@H](NCc1cccc(C#N)n1)c1ccsc1 1181196575 RIVNOPUIDUUZOE-SNVBAGLBSA-N 243.335 2.866 30 20 BFED C=C(C)CCNC(=O)c1ccc(C)c(C#N)c1 1261272442 HNBVNHGTZASGDT-UHFFFAOYSA-N 228.295 2.563 30 20 BFED C=CCCC(C)(C)NC(=O)c1nc(C)cs1 1261658687 NAQKLGMAYQQOBP-UHFFFAOYSA-N 238.356 2.926 30 20 BFED C=CC(C)(C)COC(=O)c1cnc2cc[nH]c2c1 1263480709 JODVXYLODAXNAZ-UHFFFAOYSA-N 244.294 2.932 30 20 BFED C#CCN(CC1CC1)c1ccnc(C(C)(C)C)n1 1319479593 SVGKZRLQZITQKY-UHFFFAOYSA-N 243.354 2.624 30 20 BFED C=C[C@H](COC)N[C@@H](C)CCc1ccccc1 1324026885 BFQDQFILZACAEW-DZGCQCFKSA-N 233.355 2.798 30 20 BFED Cc1cc(C=NNc2c(C)cccc2F)ncn1 1330285594 JPIYSQZKWBDPNP-UHFFFAOYSA-N 244.273 2.679 30 20 BFED C=C[C@@](C)(CC)C(=O)NC/C=C\C1CC1 1330460739 CCFDVZDVHRFHMO-FWWRYZNZSA-N 207.317 2.671 30 20 BFED CC(=NNc1ccc(C#N)cn1)C1CCCC1 1332012781 OWTJMEYTYKUJKZ-UHFFFAOYSA-N 228.299 2.931 30 20 BFED C=C(C)COC(=O)c1cc(Cl)ncc1C 1334915652 LWATYWNSOGGHKE-UHFFFAOYSA-N 225.675 2.776 30 20 BFED C#Cc1ccc(NC[C@H]2CCOC(C)(C)C2)nc1 1337891281 CDODEVJTDXULBB-ZDUSSCGKSA-N 244.338 2.680 30 20 BFED N#CCc1cccc(NC[C@H]2Cc3ccccc32)n1 1342844356 UYVPNIAPRIRSNJ-CYBMUJFWSA-N 249.317 2.899 30 20 BFED C#CC[C@@H](C)OC(=O)/C(C)=C/c1ccco1 1343384813 JMWNSQBIIUWUHH-PBQZMEPESA-N 218.252 2.638 30 20 BFED Cc1ccc(C(=O)O[C@H]2CC[C@@H](C#N)C2)nc1C 1344049432 JKIKKSPMKDSOCN-NEPJUHHUSA-N 244.294 2.548 30 20 BFED C=CCC(C)(C)C(=O)NCCCC(F)F 1345194720 DTDGCGGTGSXPJJ-UHFFFAOYSA-N 219.275 2.750 30 20 BFED CCc1nc(C#N)cc(N2CC[C@H]2C(C)(C)C)n1 1354352991 JDBXNORFOKAJIT-NSHDSACASA-N 244.342 2.535 30 20 BFED C=C(CC(C)C)C(=O)N1CCC=C(C)C1 1520153487 QXTVPYHHMQLUTK-UHFFFAOYSA-N 207.317 2.767 30 20 BFED C=C(CC)C(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 1522302912 IVEBQCNTZKYOGX-COMQUAJESA-N 231.339 2.623 30 20 BFED Cc1oc(CSCCCC#N)cc1C(=O)O 1608052848 CGGFSDLMIIRIKK-UHFFFAOYSA-N 239.296 2.823 30 20 BFED C=C[C@H](N[C@@H](CC)c1ccc(C)cc1)C(=O)O 1609267377 SJNTTXBQZKHCIH-STQMWFEESA-N 233.311 2.675 30 20 BFED C[C@@H]1CC[C@H](NCc2cc(C#N)ccn2)[C@H](C)C1 1654232356 UHGNWBJGTWAPFE-JMSVASOKSA-N 243.354 2.868 30 20 BFED C=C1CC(CN[C@H](C(=O)O)c2ccccc2F)C1 1776145093 PKMUGDYLGRSKAC-ZDUSSCGKSA-N 249.285 2.507 30 20 BFED C=CCCCN1CCC[C@](CC=C)(C(=O)O)C1 1776174340 CGJRCQPIMYSQQT-AWEZNQCLSA-N 237.343 2.696 30 20 BFED C[C@H](NCC(C)(C)N(C)C)c1ccc(C#N)cc1 20125760 BENPBDONGCRRQI-LBPRGKRZSA-N 245.370 2.549 30 20 BFED C#CCOc1ccc(CN[C@@H](C)CC)cc1 45945789 BVXPXDLYRBFREH-LBPRGKRZSA-N 217.312 2.587 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)c1cc(F)ccc1C 60941392 WUZJQMFANCEBOI-JTQLQIEISA-N 248.301 2.756 30 20 BFED CCn1cc(C(=O)/C=C/c2ccccc2F)cn1 65999906 KPVJUPFBSZHLLV-BQYQJAHWSA-N 244.269 2.938 30 20 BFED C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1S 73654899 JUGWHHKIXZGOAD-IUCAKERBSA-N 231.361 2.562 30 20 BFED CCC[C@@H](C)N(C)c1cccc(C#N)n1 80117804 CWKWJPJMJALYSO-SNVBAGLBSA-N 203.289 2.578 30 20 BFED C#CCN1CCC(c2ccc(F)cc2)CC1 83423748 QILGDZDHEZWPGX-UHFFFAOYSA-N 217.287 2.638 30 20 BFED C=C(C)COC(=O)C=C1CCSCC1 93156290 VOAJIAKXTADFRL-UHFFFAOYSA-N 212.314 2.559 30 20 BFED CCCN(CC)c1cccc(F)c1C#N 93396535 BNDTXTOQBJZTFX-UHFFFAOYSA-N 206.264 2.934 30 20 BFED C=C(C)COC(=O)c1cccc(COC)c1 96995964 LYWXUEBGGYYLLL-UHFFFAOYSA-N 220.268 2.566 30 20 BFED CCCCCCCCN1CCC[C@H]1CO 106390192 ZAFKWLNMQZXBOO-ZDUSSCGKSA-N 213.365 2.804 30 20 BFED C=CC[C@@H](C)NCc1cccc([N+](=O)[O-])c1 116927108 ODQJHIPSTKFPRB-SNVBAGLBSA-N 220.272 2.649 30 20 BFED C=CCCCOC(=O)c1ccc(F)cc1 117992860 OVOZFSOFHBCJKX-UHFFFAOYSA-N 208.232 2.949 30 20 BFED C[C@H]1CCC[C@H](CNC(=O)C2(C#N)CCC2)C1 119250082 FWCJDOMNSCIMPY-RYUDHWBXSA-N 234.343 2.623 30 20 BFED C=CCOC(=O)[C@@H]1CCCc2sccc21 126106374 RGIKTNQVSMUHSR-SNVBAGLBSA-N 222.309 2.897 30 20 BFED N#Cc1cccc(NCCC2CCC2)n1 130328754 JOGJHUOCJQPWNJ-UHFFFAOYSA-N 201.273 2.555 30 20 BFED C[C@H](NCCCF)c1cccc(C#N)c1 132059937 ICEXJHXWGLJVBX-JTQLQIEISA-N 206.264 2.568 30 20 BFED C#Cc1cccc(NCCCCOC)c1 132554509 BFNJKFJYJHTRCN-UHFFFAOYSA-N 203.285 2.506 30 20 BFED CCCCCCCCNC(=O)/C=C/c1cnc[nH]1 138978185 UGYUVJSFIFVNEV-CMDGGOBGSA-N 249.358 2.900 30 20 BFED C=CCCSCc1noc(CCC)n1 151951960 GLNCANYETFWVOU-UHFFFAOYSA-N 212.318 2.831 30 20 BFED CCCCCCCOc1cccc[n+]1[O-] 152873484 GPHQUYMRFRQYBU-UHFFFAOYSA-N 209.289 2.669 30 20 BFED C#CCCOC(=O)c1cc2cc(F)ccc2o1 153477774 BBPSISOEOVLCTO-UHFFFAOYSA-N 232.210 2.752 30 20 BFED C=CCN(C)C(=O)c1ccc(Cl)s1 161341142 GVGTYSRODRQQNT-UHFFFAOYSA-N 215.705 2.660 30 20 BFED CCC[C@H](C#N)NC(=O)c1cccc(C)c1F 161574051 WVHGLVWBFAKSHW-SNVBAGLBSA-N 234.274 2.556 30 20 BFED N#Cc1cc2c(nc1N1CC=CCC1)CCCC2 165988030 YRCPEWPNVMAVOL-UHFFFAOYSA-N 239.322 2.598 30 20 BFED N#Cc1cc2ccccc2nc1N1CC=CCC1 165988166 ZVOCDJGKHCINOA-UHFFFAOYSA-N 235.290 2.873 30 20 BFED CC#CCCNC(=O)c1coc2ccccc12 168724130 JVQWKIJGXZPPNS-UHFFFAOYSA-N 227.263 2.576 30 20 BFED C=CCCc1nc(-c2ccccc2)no1 171775762 CDWSGALUGZVIPH-UHFFFAOYSA-N 200.241 2.855 30 20 BFED Cc1ncsc1CCN(CC#N)C1CCCC1 172571902 JWTFSRYUHQUIBA-UHFFFAOYSA-N 249.383 2.762 30 20 BFED CC1(C)[C@@H]2CN(Cc3cc(C#N)ccc3F)C[C@H]21 172957866 MXYCASDYHMTIES-CHWSQXEVSA-N 244.313 2.785 30 20 BFED CCOC[C@@H](C)Nc1ccccc1O[C@@H](C)C#N 180203512 KTKGWZBECQXYHV-NEPJUHHUSA-N 248.326 2.814 30 20 BFED C=C(C)CN1CCC(N[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 181414759 IAYUURYWHLPUFL-FMKPAKJESA-N 248.414 2.805 30 20 BFED CC#CCNc1ccccc1C(=O)NC(C)(C)C 182303820 OBQAKLTXPIPBNU-UHFFFAOYSA-N 244.338 2.650 30 20 BFED N#CC1(COC(=O)CCc2ccsc2)CCC1 183848698 JCJKFGKXEKYQQP-UHFFFAOYSA-N 249.335 2.918 30 20 BFED C=CCCOCCN[C@@H](C)c1ccc(C)cc1O 186186202 UNZDOZHMZKARRL-ZDUSSCGKSA-N 249.354 2.944 30 20 BFED C[C@H]1CSCCN(Cc2cccc(C#N)c2)C1 190419338 ACKPOUQALFFADO-GFCCVEGCSA-N 246.379 2.743 30 20 BFED CC[C@H](C)CC(=O)N(CCC#N)CC1CC1 191250957 TZFLRKQEBGFFML-NSHDSACASA-N 222.332 2.575 30 20 BFED C=CCSCCNC(=O)NCCCCCC 194561886 ASNWLCULMCMHSA-UHFFFAOYSA-N 244.404 2.785 30 20 BFED C=CC[C@@H](C)NC(=O)c1c(C)cccc1C 199761584 PNBIPEPTPSNGRY-GFCCVEGCSA-N 217.312 2.998 30 20 BFED CC[C@H]1C[C@H]1Nc1cccc(F)c1C#N 227012840 RNFYGGKDIVGKTC-QPUJVOFHSA-N 204.248 2.908 30 20 BFED CC(C)(C#N)CNCc1ccc2[nH]ccc2c1 229672036 ZWBQYPVBWBDOAZ-UHFFFAOYSA-N 227.311 2.807 30 20 BFED N#Cc1ccc(NCCCCCO)c(Cl)c1 230460208 GQJHKMHPMSKGAW-UHFFFAOYSA-N 238.718 2.786 30 20 BFED CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCC[C@@H](C)C1 247501801 UZOLLOWSMACMGP-JHJVBQTASA-N 236.359 2.821 30 20 BFED C[C@]1(CN[C@@H]2CCC[C@@H](C#N)C2)CCCS1 248883637 LKYRTXPGMPZSDH-JHJVBQTASA-N 238.400 2.944 30 20 BFED C=C(C)COCCNC[C@H]1C[C@H]2CC[C@H]1C2 252852353 JTCJZKRWJSDIDM-MELADBBJSA-N 223.360 2.605 30 20 BFED C[C@H]1CN/C(=N\CC(C)(C)C2CCCCC2)N1 262663269 NOKGRUWUTZLPKU-NSHDSACASA-N 237.391 2.530 30 20 BFED C=CCCN1CCO[C@H](c2ccccc2)C1 265768128 CIMMGKHSLPCWMQ-AWEZNQCLSA-N 217.312 2.636 30 20 BFED CC(C)(C)c1csc(CN(CC#N)C2CC2)n1 267981412 GIFKPWPAPHPARL-UHFFFAOYSA-N 249.383 2.929 30 20 BFED C=C(C)[C@@H](Cc1nc(CC2CC2)no1)OCC 270051608 RKICOJMGNGSRSR-LLVKDONJSA-N 236.315 2.546 30 20 BFED C=CCCCN1CC[C@H](C)[C@@H](n2ccnc2)C1 271293446 NGVDPJHMRQUAFA-KBPBESRZSA-N 233.359 2.732 30 20 BFED C=CCN(C(=O)c1c(F)cccc1F)C1CC1 272107286 MRRHLEBMYFZHGW-UHFFFAOYSA-N 237.249 2.755 30 20 BFED CC(C)(C#N)c1nc(Cc2ccccc2F)no1 273699335 JMDLYPZCSIQGNS-UHFFFAOYSA-N 245.257 2.601 30 20 BFED N#CCC(=O)N1CCCC[C@@H]1c1ccccc1 274802499 STYDULGVFGFTJB-CYBMUJFWSA-N 228.295 2.654 30 20 BFED CC#CC(=O)N[C@H]1c2ccccc2CCC[C@@H]1C 283724558 DRVQDLHKTLKTMI-BLLLJJGKSA-N 241.334 2.840 30 20 BFED C=CCn1c(C2CC2)nnc1N(CC)CC1CC1 289306181 ABDAYEKNXSKGOD-UHFFFAOYSA-N 246.358 2.578 30 20 BFED C#Cc1ccc(CNC2CC(F)(F)C2)cc1 289490353 BMYHUGWYPJMCQS-UHFFFAOYSA-N 221.250 2.555 30 20 BFED C=CCC(CC=C)C(=O)NOC/C=C/Cl 291953914 WXMAPRJQMBBGFZ-VMPITWQZSA-N 229.707 2.555 30 20 BFED C=CCCCCNC(=O)NOC[C@H](C)CC 292346490 PLZQEYJCCMITQB-LLVKDONJSA-N 228.336 2.620 30 20 BFED C=CCN(CCC#N)C(=O)[C@H]1C[C@@]1(C)C(C)C 292428650 LJPIRMFQUHGUEL-OCCSQVGLSA-N 234.343 2.597 30 20 BFED CC(=O)c1cccc(CN(C)[C@H](C)CC#N)c1 296901560 ZCNXJRBWLMOKTA-LLVKDONJSA-N 230.311 2.623 30 20 BFED CCc1nc(C#N)cc(NCc2ccccc2)n1 307585704 MSVZMGFBAXCKPH-UHFFFAOYSA-N 238.294 2.523 30 20 BFED CCc1nc(C#N)cc(NC[C@@H]2CC[C@@H](C)C2)n1 308162848 BKGNJUGUKAITBL-GHMZBOCLSA-N 244.342 2.759 30 20 BFED C=CCCN[C@H](C)c1ccnc(Cl)c1 308662963 RAKGEVYRYFTNDW-SECBINFHSA-N 210.708 2.962 30 20 BFED N#Cc1ccc(NCc2ccc(Cl)o2)cn1 309598217 VLAJVVGYALIKKN-UHFFFAOYSA-N 233.658 2.812 30 20 BFED C=C(CC)CNc1ccc(C(=O)OC)cc1 309757661 HWKOIJPDMLUFCN-UHFFFAOYSA-N 219.284 2.851 30 20 BFED C#Cc1ccc(CN[C@@H](C)CCSC)cc1 309855913 KLMOIAIDXWSSNR-LBPRGKRZSA-N 233.380 2.899 30 20 BFED C=C(CC)CNCc1cnn(CC(F)(F)F)c1 313496548 IKYZJNRYBSPTAZ-UHFFFAOYSA-N 247.264 2.501 30 20 BFED CC/N=C(/O)c1cnc([C@H](C)OCC)s1 330497905 ZDBNVIGQXMUIBO-ZETCQYMHSA-N 228.317 2.565 30 20 BFED N#C[C@H]1CC[C@@H](NC(=O)NCCC2CCCC2)C1 332289703 JHBJKOOJWNOKEL-QWHCGFSZSA-N 249.358 2.558 30 20 BFED CCCCN1CCC[C@@]2(CCCCO2)[C@H]1C#N 334604657 XVVSVAZEHAMFMP-KGLIPLIRSA-N 236.359 2.714 30 20 BFED CCC[C@@H](C)C(=O)N1CCc2c(C#N)cccc21 335596570 RPEHHYQOWQTKNP-LLVKDONJSA-N 242.322 2.884 30 20 BFED C=C1CCN(C(=O)c2occ3c2CCC3)CC1 335666496 HJWKNOIGTYNHJS-UHFFFAOYSA-N 231.295 2.561 30 20 BFED C[C@@H]1C[C@@H]1CC(=O)N(C)c1ccc(C#N)cc1 335861944 UCUSEMZAFFZSPC-ZYHUDNBSSA-N 228.295 2.567 30 20 BFED N#CCN1CCC[C@@H](c2ccc(F)cc2)CC1 335965410 NSGRCFXLVZRCMI-GFCCVEGCSA-N 232.302 2.919 30 20 BFED C[C@H]1C[C@]1(C#N)C(=O)N1CCC2(CCCC2)CC1 336209421 MUPFZAPMSXQRGI-SWLSCSKDSA-N 246.354 2.719 30 20 BFED N#C[C@H]1CC[C@H](NCc2cc(F)cc(F)c2)C1 336474201 OYHOGYNDIPWPJW-ZANVPECISA-N 236.265 2.747 30 20 BFED C=CCCCC(=O)N[C@H](CCOC)C(C)(C)C 338147653 QYTKPIFQVSOCCZ-GFCCVEGCSA-N 241.375 2.910 30 20 BFED C[C@@H](C[C@H]1CCCO1)NCc1ccc(C#N)cc1 338710531 VJOTWULJAPNHQG-SWLSCSKDSA-N 244.338 2.605 30 20 BFED C=CCN(Cc1ccccc1)[C@@H]1CCCC[C@H]1O 339865101 GIBKQVCFXRZQDO-HZPDHXFCSA-N 245.366 2.978 30 20 BFED CCOC1(CN[C@H]2CC[C@H](C#N)C2)CCCC1 340461109 DPFAQTNKBVLVAE-STQMWFEESA-N 236.359 2.618 30 20 BFED C[C@@H](Sc1ccc(C#N)cn1)c1cnccn1 341594131 ZVPYEHORDYMNIK-SECBINFHSA-N 242.307 2.597 30 20 BFED C=CCCC[C@@H](C)NC(=O)c1cncc(F)c1 343249137 LUGXNEASBQGESG-SNVBAGLBSA-N 236.290 2.695 30 20 BFED C=CCC(C)(C)C(=O)N[C@@H](C)c1cncs1 348805520 CZFPCXMPKAZHSX-VIFPVBQESA-N 238.356 2.923 30 20 BFED C=CCCO[C@H](C)c1nc(-c2ccoc2)no1 350818021 MQAAXFDVVFBLKE-SECBINFHSA-N 234.255 2.983 30 20 BFED C=CCCCc1nc(-c2ccc([N+](=O)[O-])o2)no1 351139307 AFITYHLWLPLNPG-UHFFFAOYSA-N 249.226 2.747 30 20 BFED C=CCCC[C@H](C)N(C)[C@H]1CCC[C@H]1O 352703940 ZHYDUXFDEIGHOT-RWMBFGLXSA-N 211.349 2.576 30 20 BFED CCC[C@@H]1C[C@H]1NC(=O)c1ccc(F)c(C#N)c1 353712969 VJJIDFILRMNRAW-NOZJJQNGSA-N 246.285 2.616 30 20 BFED CC[C@H](C#N)NC(=O)[C@H]1CCCC[C@H]1CC 355457015 LXTJTVTYQQWNMK-UTUOFQBUSA-N 222.332 2.621 30 20 BFED CC(C)(CCNC(=O)CCCC#N)C1CC1 360773073 PPNJSDSFLUMDCP-UHFFFAOYSA-N 222.332 2.623 30 20 BFED CC[C@H](O)CCCNc1cccc(F)c1C#N 361096222 LFFPPDFPLXRJRX-JTQLQIEISA-N 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C#Cc1ccccc1CC(=O)N(C)c1ccccc1 811870704 LIRQWEWMCWSPDN-UHFFFAOYSA-N 249.313 2.873 30 20 BFED CC(C)[C@@H](F)C(=O)Nc1ccc(C#N)c(F)c1 813259712 BOFREAXXNDBMGF-LLVKDONJSA-N 238.237 2.630 30 20 BFED COc1ccc2c(c1F)CCC2=NOCC1CC1 814244318 NCPOCCWLEZZUTJ-UHFFFAOYSA-N 249.285 2.911 30 20 BFED CNC(=S)NN=C1CCCCC12CCCC2 814691818 AQTKLSDJAADCHI-UHFFFAOYSA-N 239.388 2.571 30 20 BFED CC(=NO[C@H]1CCCCO1)c1ccccc1C#N 814887095 FEDSUNBWZKAMLT-AWEZNQCLSA-N 244.294 2.825 30 20 BFED CC(=NNCC1(C)CCCC1)c1ccc(N)nc1 814937534 KAZAGJFEVCNJIC-UHFFFAOYSA-N 246.358 2.558 30 20 BFED C=CCC(F)(F)C(=O)OCC=C(C)C 815313616 NLSORUPSGRZXMY-UHFFFAOYSA-N 204.216 2.707 30 20 BFED C=CCC(F)(F)C(=O)NC(C)(C)C1CC1 815688350 WBLWVLGIZNVLHY-UHFFFAOYSA-N 217.259 2.503 30 20 BFED C=C[C@H](CC)CC(=O)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 820910198 KXMBMTUOHOZVEA-FQKPHLNHSA-N 245.366 2.869 30 20 BFED CCCC[C@@](C)(F)C(=O)N(C)C[C@@H](C)C#N 823233653 IIJOIJCVBJBKJT-CMPLNLGQSA-N 228.311 2.523 30 20 BFED CC(C)(C)C#CC(=O)OCC1=CCCC1 829269851 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CCN(CCO)N=Cc1ccc(C2CCC2)cc1 842539121 ZVEBHQUVLIXTAB-UHFFFAOYSA-N 246.354 2.602 30 20 BFED CCOCSc1ccc(C#N)c(C)c1 842636389 YDDFABALDMRAJQ-UHFFFAOYSA-N 207.298 2.953 30 20 BFED C=C[C@H](C)ON=C(C)c1ccc(F)cn1 844622355 YDXKKVPVEZGOBG-QMMMGPOBSA-N 208.236 2.536 30 20 BFED C=C(C)CONC(=O)c1cc(C)c(C)s1 846538154 QYKMVFYWVCBOPP-UHFFFAOYSA-N 225.313 2.602 30 20 BFED C=C[C@@H](C)ONC(=O)C1=CCC(C)(C)CC1 846554997 PQZLDUBNKXWKGH-SNVBAGLBSA-N 223.316 2.745 30 20 BFED C=C(C)C(C)(C)C(=O)OCc1ccns1 847834109 KMLJQBKJGONSDW-UHFFFAOYSA-N 225.313 2.789 30 20 BFED C=C[C@@H](C)ON=Cc1cccc(CC)c1O 848414015 KKHUJUBXCHFMAO-SNVBAGLBSA-N 219.284 2.880 30 20 BFED CC(C)CC1CCN(c2ccnc(C#N)n2)CC1 848673086 VHZSLDCOTTWBJS-UHFFFAOYSA-N 244.342 2.611 30 20 BFED N#Cc1ccsc1NC(=O)NCC1CCC1 849332624 GZJHGMWRYKWZLI-UHFFFAOYSA-N 235.312 2.541 30 20 BFED C=C[C@@H](C)OC(=O)CCCc1cccnc1 850969169 NMDHUJCRNAOVMF-LLVKDONJSA-N 219.284 2.522 30 20 BFED O=C(O)c1ccc(NN=CC2C[C@H]3C[C@@H]3C2)cc1 853252320 MXXAZKMVJBNGPT-RYUDHWBXSA-N 244.294 2.829 30 20 BFED CC(=NNCC(F)F)c1ccc(C(F)F)nc1 853310892 NHWRLAIVMZZVOP-UHFFFAOYSA-N 249.211 2.598 30 20 BFED ClC1(Cl)C[C@@H]1C=NO[C@H]1CCCCO1 853325808 PLUIURDWIJQLGJ-SFYZADRCSA-N 238.114 2.709 30 20 BFED C[C@@H]1CCCCN1N=C1CCc2cccc(O)c21 853381626 HTYJRCTUPQIWTA-LLVKDONJSA-N 244.338 2.917 30 20 BFED C[C@@H]1CC(=NNc2ccnc(Cl)c2)[C@@H](C)O1 853395453 XZDWACRDYLVIKF-HTQZYQBOSA-N 239.706 2.700 30 20 BFED CC(C)=CCCON=C(N)c1ccc(F)cc1 853646694 WZCGTNOIZDGWHI-UHFFFAOYSA-N 236.290 2.819 30 20 BFED C=CCN(C(=O)[C@@H]1CCC=CO1)c1ccccc1 854509454 RWTSXIHLVSJQIP-AWEZNQCLSA-N 243.306 2.898 30 20 BFED CC/C=C\COC(=O)C(C#N)(CC)CC 860491495 HJJLGYUUQHRVEW-FPLPWBNLSA-N 209.289 2.826 30 20 BFED C=CCCCC(=O)NC[C@@H](CCC)OCC 862417798 JZWQWDPBVMTBOL-GFCCVEGCSA-N 227.348 2.664 30 20 BFED CCC(=NN(C)C[C@H](C)O)c1cc(C)ccc1C 863119704 HHHVWLJISZHNSG-ZDUSSCGKSA-N 248.370 2.730 30 20 BFED C#C[C@H](C)N[C@@H](C)Cc1cccc(C)c1 877514232 KQWRKZIEQNYRMS-STQMWFEESA-N 201.313 2.537 30 20 BFED C=C[C@H](C)ONC(=O)Nc1csc(C)c1 880639699 OYQLDGGTTKTJOM-ZETCQYMHSA-N 226.301 2.684 30 20 BFED C=C[C@@](C)(CC)C(=O)NCCc1cccnc1C 890832869 HXALURHWTZPLAI-HNNXBMFYSA-N 246.354 2.651 30 20 BFED C=C1CN(C(=O)c2ccc(OCC(C)C)cc2)C1 898689262 LOWCBAMTVCMPIA-UHFFFAOYSA-N 245.322 2.733 30 20 BFED C[C@@H](CO)SCCCCC1(C#N)CCC1 901495696 BUNLIJGQHQFQCQ-NSHDSACASA-N 227.373 2.965 30 20 BFED C=CCOCCOc1cccc(OC)c1C 902795013 WCQZXPAAOOMMII-UHFFFAOYSA-N 222.284 2.585 30 20 BFED C=C[C@H](CC)CC(=O)Nc1ccc(C2CC2)nn1 903441739 DYUXJMYXGKQZAC-SNVBAGLBSA-N 245.326 2.895 30 20 BFED C/C(=C(/F)C(=O)N(C1CC1)[C@@H](C)C#N)C1CC1 912410304 BNVMPYOQTRAYDO-ILETWAPCSA-N 236.290 2.543 30 20 BFED N#Cc1ccc(NN=C2CCn3cccc32)cc1 915962991 RSYQAIGBISAEKB-UHFFFAOYSA-N 236.278 2.580 30 20 BFED CCCNN=Cc1cc(C)n(C2CC2)c1C 915965663 WPRXSRTYAMZQRC-UHFFFAOYSA-N 219.332 2.773 30 20 BFED C=C(C)[C@H]1OCC[C@H]1C(=O)OCC/C=C/CC 923166900 RFFIOBVEXVPOGG-FBVTZJDUSA-N 238.327 2.867 30 20 BFED C[C@H](CC(C)(C)C#N)NCc1cccc(F)n1 925591993 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C=C(C)CN(CC)C(=O)NC[C@@H](C)CC 422210408 OVVMYPSCARTTFM-NSHDSACASA-N 212.337 2.640 30 20 BFED CC[C@@H](C)Oc1ccc(C(=O)NCCC#N)cc1 427611709 HUDWMVGLJSBFGG-LLVKDONJSA-N 246.310 2.507 30 20 BFED CC[C@H](F)CN1CCCC(C)(C)[C@@H]1C#N 440508700 HVXHFKGDVOZNHG-QWRGUYRKSA-N 212.312 2.749 30 20 BFED C=CCn1c(C)nnc1SC[C@H](F)CC 440570871 UGKUBCFBGLWUTE-SECBINFHSA-N 229.324 2.613 30 20 BFED N#Cc1ccc(N2CCc3ncsc3C2)cc1 445663610 HMECFVWCIWPCJN-UHFFFAOYSA-N 241.319 2.577 30 20 BFED C=C(C)CCNC(=O)[C@H]1CSc2ccccc21 448550720 IOCLCFWBECXCSW-LBPRGKRZSA-N 247.363 2.958 30 20 BFED C=CCC1(C(=O)N=c2cc[nH]cc2)CCCCC1 448606432 OCUDCKXADAOGTF-UHFFFAOYSA-N 244.338 2.969 30 20 BFED CC[C@@H]1CCC[C@@H]1C(=O)N(CC)C[C@H](C)C#N 448725842 QEXKGPJPCOOEDE-UPJWGTAASA-N 236.359 2.821 30 20 BFED Cc1cc(CN(CCC#N)CCC#N)cs1 449245652 BSXUNHJXIUVOPS-UHFFFAOYSA-N 233.340 2.686 30 20 BFED C=CCC[C@H](CC)NCC1(CC)COC1 449597585 FYWVLHGNVYCFRB-LBPRGKRZSA-N 211.349 2.747 30 20 BFED Cc1cc(C#N)cc(N[C@@H](C)Cn2cccn2)c1 449760756 RCNMSEXRQQJUOA-LBPRGKRZSA-N 240.310 2.564 30 20 BFED C=CCCCN[C@@H](C(C)C)[C@@H](CO)C(C)C 451619600 XWGMYMSJAKTTDX-KBPBESRZSA-N 227.392 2.831 30 20 BFED C=C(CC)CNC(=O)Cc1ccccc1CC 456812553 NIRVNTDRBQTMPX-UHFFFAOYSA-N 231.339 2.874 30 20 BFED C[C@@H]1CC[C@H](CC(=O)NCC(C)(C)CC#N)C1 457991807 JSEJHPWDMQQPEF-NEPJUHHUSA-N 236.359 2.869 30 20 BFED C=CC[C@@H](CC)NC(=O)N[C@H]1CCC[C@@H]2C[C@H]12 458719589 AZOCKAWTTGXUFL-NDBYEHHHSA-N 236.359 2.829 30 20 BFED C=C(CC)CNC(=O)N1CCC[C@@H]1c1ccc[nH]1 459088848 YGNSLLUVFOYSEG-CYBMUJFWSA-N 247.342 2.827 30 20 BFED CCN(CC(C)(C)C)C(=O)NCC(C)(C)C#N 464342557 OOKXCBPONVGMQK-UHFFFAOYSA-N 239.363 2.614 30 20 BFED CN(Cc1ccc(CC#N)cc1)[C@H]1CC1(C)C 489497757 HTYQEGJTOVMTDG-AWEZNQCLSA-N 228.339 2.983 30 20 BFED C#C[C@H](CC)NC(=O)Nc1cc(C)cc(F)c1 491218896 AWXFXAFCTVGSBL-LLVKDONJSA-N 234.274 2.667 30 20 BFED C=C[C@@H](C)ONC(=O)/C=C/C(=C/C)CC 493699647 WIGYNXCSLGXPHX-UYERAMHISA-N 209.289 2.521 30 20 BFED N#CCCN[C@H]1C[C@H](c2cccc(F)c2)C1 514597371 MLZSCBFJTSDIAX-AULYBMBSSA-N 218.275 2.575 30 20 BFED C=CCN(C)CCCN(C)c1ccccc1 519148753 PKAROXXTRJEQPQ-UHFFFAOYSA-N 218.344 2.631 30 20 BFED C=C(C)CN(CC)C(=O)Cc1ccc(C)o1 533121073 CKNIQEWBURZSBB-UHFFFAOYSA-N 221.300 2.555 30 20 BFED C=C(CC)CN(Cc1ccccc1)C[C@@H](C)O 540204818 VZINVLMBOSSIRW-CQSZACIVSA-N 233.355 2.836 30 20 BFED C=CCn1c(CC)nnc1N1CC[C@@H](C)[C@H](C)C1 554622536 APRCPLNPVVHLAH-VXGBXAGGSA-N 248.374 2.509 30 20 BFED N#CC1(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)CCCCC1 562661912 JABAPPPDWWCJKN-FRRDWIJNSA-N 246.354 2.765 30 20 BFED C=C[C@@H]1OCCC[C@H]1NCc1ccc(F)cc1C 570915786 KRMJSEMEVAPDFE-CABCVRRESA-N 249.329 2.957 30 20 BFED CSc1ccc(F)cc1CNCCC#N 572632264 WPEFUGUHWMKJEN-UHFFFAOYSA-N 224.304 2.551 30 20 BFED N#Cc1ncn(CCC2CCCCCC2)c1C#N 594459291 KIMUQJJMGXCYNP-UHFFFAOYSA-N 242.326 2.987 30 20 BFED C=CCCCCN=c1[nH]c(C#N)c(Cl)s1 596193492 DNQWJTSVQJAZRK-UHFFFAOYSA-N 241.747 2.858 30 20 BFED C[C@H]1CCCCCN1C[C@@H](O)CC(C)(C)C#N 598592128 GASDPXHYFGKZEL-STQMWFEESA-N 238.375 2.552 30 20 BFED C[C@H](C1CC1)N(C)C(=O)[C@@]1(C#N)CC12CCCC2 600983526 LSNBMTCZNLRYAF-ABAIWWIYSA-N 246.354 2.717 30 20 BFED C[C@H](CCC#N)CNC[C@H](C)c1ccncc1 602565157 ZPZKKNCSUSYXJY-OLZOCXBDSA-N 231.343 2.715 30 20 BFED CC[C@H](CC#N)N[C@@H]1CCc2cccnc2CC1 602612251 OQJONMOAEIWWHI-ZIAGYGMSSA-N 243.354 2.611 30 20 BFED C=C(C)[C@@H](CC(=O)NCC[C@@H](C)CC)OCC 617637991 FFSXMVCMTWMRIZ-QWHCGFSZSA-N 241.375 2.910 30 20 BFED CCCC[C@H](C)C(=O)N1CCC[C@](C)(C#N)C1 619717087 SOTKKQDCPYXWHF-GXTWGEPZSA-N 236.359 2.965 30 20 BFED C=CCCN(Cc1cnn(CC)c1)C(C)C 649813083 WEHZEFZSKWQWHD-UHFFFAOYSA-N 221.348 2.690 30 20 BFED C=CCCCCNc1ccc2c(c1)C(=O)NCC2 651214235 BKDDTJUMVBQARS-UHFFFAOYSA-N 244.338 2.741 30 20 BFED COc1ccc(C#N)cc1CN1CCC[C@H](F)C1 689883732 UCVXLGSXKNKBPE-ZDUSSCGKSA-N 248.301 2.501 30 20 BFED C#CCCCCC(=O)N1CCC(C)(C)CC1 692852461 DVVFOIUYVFAKHJ-UHFFFAOYSA-N 221.344 2.829 30 20 BFED Cc1nnc(CNc2ccc(CC#N)cc2)s1 698336797 VALPTVJVRPHNCA-UHFFFAOYSA-N 244.323 2.525 30 20 BFED N#CC1(C(=O)NC[C@H]2C=CCC2)CCCCC1 711729234 FCQZXYZPSAGVCC-LBPRGKRZSA-N 232.327 2.543 30 20 BFED C#CCCCOC(=O)CCc1ccc(F)cc1 727040554 JMHYVWYJFPWFNG-UHFFFAOYSA-N 234.270 2.715 30 20 BFED CC(C)=NNc1cccc([N+](=O)[O-])c1C 727973362 JAMPCDPVTAFSOF-UHFFFAOYSA-N 207.233 2.711 30 20 BFED N#Cc1ccc(C(=O)OCC2CCCCC2)nc1 730895071 DWIHWLZPLLTXRW-UHFFFAOYSA-N 244.294 2.690 30 20 BFED CC(=NNc1cc(C)ncn1)c1ccsc1 731934782 IISVBEVFLSICEE-UHFFFAOYSA-N 232.312 2.683 30 20 BFED CC1(C)CC(=NNCC(F)F)c2ccoc2C1 740616841 UVSYSJRSHBHUMG-UHFFFAOYSA-N 242.269 2.811 30 20 BFED CC#CCOC(=O)c1cc(F)c(F)cc1Cl 744616489 DOFQPUHSVCSELN-UHFFFAOYSA-N 244.624 2.798 30 20 BFED CC(=NOCc1cccnc1)c1ccc(O)cc1 746588956 VJWBRDIXWKOBBG-UHFFFAOYSA-N 242.278 2.728 30 20 BFED CC[C@H](C)[C@@H](C)NC(=O)C#Cc1ccccc1 747366175 VGVFQCWAFYYUST-QWHCGFSZSA-N 229.323 2.589 30 20 BFED C#CC(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C 753958208 IJUAZUWUGRTPDY-NEPJUHHUSA-N 221.344 2.588 30 20 BFED CC(C)CON=Cc1nc2ccccc2n1C 755801066 GIVCRKNWDOWYLU-UHFFFAOYSA-N 231.299 2.580 30 20 BFED C#CCNC(=S)Nc1cccc(C)c1Cl 758242719 YJFNKUDBSROPAZ-UHFFFAOYSA-N 238.743 2.568 30 20 BFED C[C@H]1C[C@@H]1C=NNCc1cc(F)ccc1F 758371773 CRIVVIMYWYAPGP-DTWKUNHWSA-N 224.254 2.696 30 20 BFED CC#CCCOC(=O)c1ccc2ncsc2c1 765375795 JFTDCZAUUZOHNF-UHFFFAOYSA-N 245.303 2.867 30 20 BFED CON=C(C)CSc1ccccc1[N+](=O)[O-] 765572685 NVICLMQLGOFVSE-UHFFFAOYSA-N 240.284 2.709 30 20 BFED C[C@@H](C(=O)OCC1(C#N)CCC1)C(C)(C)C 768090180 CMFUBVGVHUANDF-JTQLQIEISA-N 223.316 2.906 30 20 BFED FC(F)(F)CNN=C/C=C/c1ccccc1 769823196 WEDMRGIFSVDJGR-QBDRWNCESA-N 228.217 2.838 30 20 BFED Cc1cccc(F)c1NN=C1CCN2CCC[C@@H]12 769842130 YTOFBKBAVCSYOQ-ZDUSSCGKSA-N 247.317 2.770 30 20 BFED CC(=NNC[C@@H](C)C#N)c1cc(C)cc(C)c1 771101987 BXCDETJVDNUJML-LBPRGKRZSA-N 229.327 2.777 30 20 BFED CN(C(=O)C1(F)CCCC1)c1cccc(C#N)c1 771946840 GNCOSQSSXLTVSR-UHFFFAOYSA-N 246.285 2.803 30 20 BFED C=C(CC)COC(=O)COc1cccc(C)c1 773428571 JNCAGPXGADAQRS-UHFFFAOYSA-N 234.295 2.883 30 20 BFED C#CCOC(=O)c1ccccc1COC(C)(C)C 773705234 UHWWPYQFIPAAJK-UHFFFAOYSA-N 246.306 2.792 30 20 BFED C=C(C)CCOC(=O)C1(F)CCCC1 774115145 NXXFLRUWZZPZFT-UHFFFAOYSA-N 200.253 2.778 30 20 BFED CCOCCON=C(C)CC1CCCC1 774417829 NRATXRNJOULMNV-UHFFFAOYSA-N 213.321 2.996 30 20 BFED Oc1cccc(C=NNc2cc(Cl)ccn2)c1 777906648 ZCDCHPWIDRKAKS-UHFFFAOYSA-N 247.685 2.887 30 20 BFED C=C1CCN(C(=O)[C@@H](F)Cc2ccccc2)CC1 778263816 UIPAFYCUBCQEDX-AWEZNQCLSA-N 247.313 2.746 30 20 BFED COCCC(=NNc1ccnc(F)c1)C(C)C 781133614 YQDQUQWCZNIPCW-UHFFFAOYSA-N 239.294 2.681 30 20 BFED C=C(C)COC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C 781315620 LWIDZBNQQWZVCG-GHMZBOCLSA-N 238.327 2.747 30 20 BFED Fc1ccc(/C=C/C=NOC[C@H]2CCOC2)cc1 788036067 DIRCTKYGFHOKAE-IPURMPFRSA-N 249.285 2.878 30 20 BFED CC[C@@H]1C[C@@H](C)CCC1=NN[C@H]1CCOC1 788454530 ANKHBSYJGQUHRP-TUAOUCFPSA-N 224.348 2.567 30 20 BFED C[C@@]12CCN(CCCC#N)C[C@H]1C2(Cl)Cl 792911095 FWIVFMKTJURWKZ-NXEZZACHSA-N 247.169 2.806 30 20 BFED Cc1ccc([C@H](C)N(C)CCO[C@H](C)C#N)cc1 801915166 OGSONFHWTLJHAY-KGLIPLIRSA-N 246.354 2.917 30 20 BFED CC[C@](C)(C#N)C(=O)O[C@H]1C=CCCC1 803781768 JETAFVATICXLSO-CMPLNLGQSA-N 207.273 2.578 30 20 BFED Cc1cc([C@H](C)NCC(C)(C)CCC#N)n(C)n1 806175552 CHNJZNWVRDNGDH-LBPRGKRZSA-N 248.374 2.709 30 20 BFED C[C@@H]1CCC[C@@H](C=NN[C@H]2CCSC2)C1 807998480 HCOJKEHMJHJFQB-UTUOFQBUSA-N 226.389 2.894 30 20 BFED CC(=NOC/C=C/Cl)C1CCOCC1 811671331 DADGYFOYFGLSPA-NMGLEDMASA-N 217.696 2.558 30 20 BFED C[C@H](CO)NN=Cc1ccc(C2CCCC2)cc1 812226987 YIOVFWGPXDPTIO-GFCCVEGCSA-N 246.354 2.649 30 20 BFED CC(C)OCCON=Cc1cc(F)ccc1F 812239569 XCJVNSPVJRCWCA-UHFFFAOYSA-N 243.253 2.740 30 20 BFED N#CCCCC(=O)OCc1ccccc1F 812616622 KBLURIFQQFBKDB-UHFFFAOYSA-N 221.231 2.563 30 20 BFED Cn1ccnc1NN=C1CCCC12CCCC2 814918609 WSXHOGVIYHXZNX-UHFFFAOYSA-N 232.331 2.932 30 20 BFED CC(C[C@H](C)CC(C)C)=NN[C@@H]1CCC[C@H]1O 817335607 KJZHPUZBKGWVPX-MRVWCRGKSA-N 240.391 2.938 30 20 BFED CC[C@@H]1C[C@H](C)CCC1=NN[C@@H]1CCC[C@H]1O 817338715 XVQBIWHOUIAUQP-HBJVGIJOSA-N 238.375 2.692 30 20 BFED CC#CCN(CC(=O)O)[C@@H](CC)c1ccccc1 833380983 WOEQFFCNQOLEIN-AWEZNQCLSA-N 245.322 2.548 30 20 BFED C#C[C@H](CC)NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 834380894 BRIUPHPKOUSQOV-MQYQWHSLSA-N 233.355 2.731 30 20 BFED CC[C@H](C)[C@@H](NC(=O)C#CC(C)C)C(F)(F)F 834544423 VGYJBZAASNMZFT-GXSJLCMTSA-N 249.276 2.739 30 20 BFED CC1=CCC[C@H](C)[C@H]1C=NNc1ccncn1 835002449 VVHJUNQYFIKDIV-RYUDHWBXSA-N 230.315 2.867 30 20 BFED C=CCC[C@H](C)OC(=O)c1cncnc1C1CC1 835267625 LYOMRLDHANWGJZ-JTQLQIEISA-N 246.310 2.866 30 20 BFED C[C@@H](NC(=O)C#CC(C)(C)C)[C@H]1C[C@H]2CC[C@H]1C2 837306683 DXRSKZRTRXOWIS-ZOBORPQBSA-N 247.382 2.977 30 20 BFED C=CCOC(=O)[C@H](C)Cc1ccc(OCC)cc1 840650502 FSEMICSRPCACJW-GFCCVEGCSA-N 248.322 2.993 30 20 BFED C=C(C)CCNC(=S)NCc1ccccc1 840793258 RJTWUSQDJLEORM-UHFFFAOYSA-N 234.368 2.617 30 20 BFED N#CCc1cccc(OC(=O)OCCCF)c1 841519181 LQAFAHIIRULTNH-UHFFFAOYSA-N 237.230 2.628 30 20 BFED C#C[C@H](NC(=O)C[C@H](C)CC)c1ccccc1 843644921 XNSALUOMAYHOAH-OCCSQVGLSA-N 229.323 2.913 30 20 BFED C=C(C)CONC(=O)N(C)[C@@H]1CCC(C)(C)C1 845608148 KFANTCNRTPEQSD-LLVKDONJSA-N 240.347 2.714 30 20 BFED C#CCCCNCc1cccc(OC2CC2)c1F 850163691 RNBDJEIMIMKKHK-UHFFFAOYSA-N 247.313 2.870 30 20 BFED Cc1ncc(C=NN2CCCC[C@H]2C)s1 853379199 FMXRFYMZSWOUAS-SECBINFHSA-N 223.345 2.660 30 20 BFED C#Cc1cccnc1NCCSC(C)C 853621983 OXYYREFFFVIOBX-UHFFFAOYSA-N 220.341 2.616 30 20 BFED C#C[C@@H](CC)Nc1nc2cccc(F)c2o1 858511347 AYBLJRCQJKUDJY-QMMMGPOBSA-N 218.231 2.791 30 20 BFED CC(C)(O)CNN=C1CCCC12CCCCC2 863136877 NULBJXHBCNPQMP-UHFFFAOYSA-N 238.375 2.837 30 20 BFED CCC(=NN=c1cc[nH]c(C)c1)[C@H]1C[C@H]1C 863160712 PMKSCEPLIWGUSP-SKDRFNHKSA-N 217.316 2.646 30 20 BFED C=CC[C@H](C)Nc1nc(C(C)(C)OC)ns1 865543499 OHRHKIFLDLLSLV-QMMMGPOBSA-N 241.360 2.796 30 20 BFED COc1ccc(O)c(/C=N\[C@@H]2CC23CCC3)c1 871597902 BUSIWEYUYSYTDU-MLJKTZRHSA-N 231.295 2.762 30 20 BFED CC(C)COc1ccccc1C=NN1CCC1 872398174 IIULYQCNFHSUBC-UHFFFAOYSA-N 232.327 2.761 30 20 BFED C=C1CCC(C(=O)Nc2cccc(C#N)n2)CC1 892209155 AUCGBJKWRAMNMJ-UHFFFAOYSA-N 241.294 2.638 30 20 BFED C=C1CC(c2noc(CCc3cscn3)n2)C1 896881237 FRFUFHZVHQZANJ-UHFFFAOYSA-N 247.323 2.745 30 20 BFED C=C1CN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 898692261 NVKLMIMWKHOCRO-UHFFFAOYSA-N 247.725 2.770 30 20 BFED O=C(CCC1CC1)N(O)Cc1ccc(F)cc1 901374137 DYZGFFPKTWFVRZ-UHFFFAOYSA-N 237.274 2.734 30 20 BFED CC(=O)C(C)=NOCc1ccc(C(C)C)nc1C 902758116 GXKIQLVAMOFSJO-UHFFFAOYSA-N 248.326 2.995 30 20 BFED CCCCN(O)C(=O)c1ccc(SC)o1 904209929 APEKFDQSTAZGJR-UHFFFAOYSA-N 229.301 2.633 30 20 BFED N#Cc1sccc1C(=O)N1[C@H]2CCC[C@H]1CC2 906933817 GWEXXCKUNUHGNI-UWVGGRQHSA-N 246.335 2.777 30 20 BFED C=C[C@H]1CCCCN1C(=O)/C=C(/C)Cl 907806773 HSRVLVWPIUANHZ-QROTZFDESA-N 213.708 2.696 30 20 BFED Cc1cc(C)c(C=NNc2ncccn2)cc1C 912973901 AVDAZLIKEQGRML-UHFFFAOYSA-N 240.310 2.848 30 20 BFED C=CCN(Cc1nc(C)c(C)o1)C(C)C 920086661 IFJBWAWAKKHSBK-UHFFFAOYSA-N 208.305 2.688 30 20 BFED Fc1cccc(NN=Cc2ccc[nH]2)c1 920384551 XDOBEOQVKDWNPX-UHFFFAOYSA-N 203.220 2.600 30 20 BFED C=CCCOCC(=O)OC[C@H]1C[C@H]2CC[C@H]1C2 920819267 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242.322 2.599 30 20 BFED COc1ccc(C=NOC(C)(C)C)c(F)c1 1261505387 JDEUFEIXUVYQRY-UHFFFAOYSA-N 225.263 2.983 30 20 BFED CON(CC(C)(C)C)c1c(C#N)cccc1C#N 1322579747 BDHPPVDKZHRQJQ-UHFFFAOYSA-N 243.310 2.844 30 20 BFED C=CCCCCCCNC(=O)[C@H](C)n1ccnc1 1322843113 SMGQMKWENVDAEH-ZDUSSCGKSA-N 249.358 2.697 30 20 BFED O=[N+]([O-])c1ccc(O)c(/C=N\C/C=C\C2CC2)c1 1325241161 YALRPJRHOPWAGH-LVJZIPRGSA-N 246.266 2.686 30 20 BFED C=CCCO[C@H](C)c1nnc(CC(C)C)o1 1326251932 YZIFPBBDVGDYET-SNVBAGLBSA-N 224.304 2.922 30 20 BFED C=C(C)CCNC(=O)CCOc1ccccc1C 1328163813 CSXCPLXHFHKPOX-UHFFFAOYSA-N 247.338 2.846 30 20 BFED C=C(C)CCC(=O)N[C@@H](C)Cc1ccc(O)cc1 1337135189 CNEUWFQXDKDTDR-LBPRGKRZSA-N 247.338 2.796 30 20 BFED C=C[C@H](COC)NC(=O)C1(C)CCCCCC1 1342762424 KBWDAWXDJDJVHM-GFCCVEGCSA-N 239.359 2.664 30 20 BFED Cc1nsc(NCCCC(F)F)c1C#N 1343202896 DRKUQIJRFAUUGR-UHFFFAOYSA-N 231.271 2.780 30 20 BFED C=C(CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 1351268291 JIEJECFATFWKLS-RWMBFGLXSA-N 221.344 2.894 30 20 BFED C=C(CC)C(=O)Nc1ccc(N2CCCC2)cn1 1351611253 CFOWDPMFUCVQEK-UHFFFAOYSA-N 245.326 2.587 30 20 BFED CC#CCCCC(=O)OCCc1ccc(C)o1 1515590607 SROGQPLMXGUDKP-UHFFFAOYSA-N 234.295 2.867 30 20 BFED C=C(CC(C)C)C(=O)N1CCC[C@H]1C1CC1 1527658550 JXEHTZTXNIHDRB-ZDUSSCGKSA-N 221.344 2.990 30 20 BFED C=C(C)C[C@H](C)C(=O)O[C@H](/C=C/CC)C(=O)O 1602747420 RAKRUULRCXSCGR-FQLSZKSXSA-N 240.299 2.551 30 20 BFED C=C(CC)Cn1nc(C(=O)O)c(Cl)c1C 1602774805 XJMBGFBBVQSYMX-UHFFFAOYSA-N 228.679 2.509 30 20 BFED c1ccc2c(NN=C3CCCC3)nncc2c1 6287566 KFHIHLXQWGZFLH-UHFFFAOYSA-N 226.283 2.972 30 20 BFED C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 30773268 QNNGCHJZPQGHDE-MRVPVSSYSA-N 231.255 2.677 30 20 BFED CC[C@@H](C)NC(=O)Nc1ccc(OCC#N)cc1 43572830 SGLVQXCRYUQZIQ-SNVBAGLBSA-N 247.298 2.509 30 20 BFED Cn1ccnc1Sc1cccc(F)c1C#N 57796957 SIZXJSZWOIBWAQ-UHFFFAOYSA-N 233.271 2.582 30 20 BFED C[C@@H](C#N)CN(C)CCc1ccccc1Cl 58922445 IKLVKRWICJUALP-NSHDSACASA-N 236.746 2.974 30 20 BFED Cc1csc(SC[C@@H](C#N)CCC#N)n1 66239427 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C=CCCC(=O)N1CCS[C@@H](C(C)C)C1 174300837 BCIKTIRZXSNGLR-LLVKDONJSA-N 227.373 2.553 30 20 BFED C#CCCCCNC(=O)N(C)c1ccc(F)cc1 177240389 LGNKLMYZOXRXRX-UHFFFAOYSA-N 248.301 2.775 30 20 BFED C=C(C)CSCC(=O)N1CCC(C)CC1 177867472 YPNWOTFJVGLJMZ-UHFFFAOYSA-N 227.373 2.554 30 20 BFED C#CCCSc1nnc(NCC(C)C)s1 178165379 SHTPDKPVLMCNDV-UHFFFAOYSA-N 241.385 2.721 30 20 BFED CCC(CC)n1nccc1C(=O)OCCCC#N 178334302 AMTJQHDXZMAWPO-UHFFFAOYSA-N 249.314 2.705 30 20 BFED C#CCSCCN[C@@H]1CCc2ccc(C)cc21 181094795 FBNQKOVAXYRRCY-OAHLLOKOSA-N 245.391 2.938 30 20 BFED C=CCCC[C@@H](C)NC(=O)c1cscn1 182641693 VVGUITNNJXLRRY-SECBINFHSA-N 224.329 2.618 30 20 BFED C#CCC(C)(C)C(=O)Nc1cccc(COC)c1 185062802 KKRVALPGKRPGLA-UHFFFAOYSA-N 245.322 2.821 30 20 BFED CC#CCCCC(=O)N(Cc1ccccc1)OC 185109323 MEJQKPIRTMDAMB-UHFFFAOYSA-N 245.322 2.770 30 20 BFED CC#CCNC(=O)Nc1cccc(C)c1Cl 186617835 PRMGRMSUQJBORT-UHFFFAOYSA-N 236.702 2.793 30 20 BFED C#CCN(C)C(=O)C(C)(C)c1ccc(Cl)cc1 191138884 SXFQPVSEHWIAPA-UHFFFAOYSA-N 249.741 2.709 30 20 BFED C#CCOC(=O)/C=C/c1ccc(Cl)s1 193040648 YHOCTVPLCVXUMJ-GQCTYLIASA-N 226.684 2.591 30 20 BFED CC[C@@H](C#N)C(=O)Nc1c(C)cccc1F 225033667 JNDCPNIRXKPKRE-VIFPVBQESA-N 220.247 2.622 30 20 BFED C[C@H]1C[C@H](C)N(Cc2ccc(F)c(C#N)c2)C1 229750980 XUKHNRTXIJNREY-QWRGUYRKSA-N 232.302 2.928 30 20 BFED CCC(CC)(CNC(=O)C(C)(C)C#N)SC 231581461 MEUFHYJXQPACNW-UHFFFAOYSA-N 242.388 2.574 30 20 BFED CO[C@@H]1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2)C1 231675483 HSRBMSKMCTWORH-TUKIKUTGSA-N 244.338 2.776 30 20 BFED CCc1cnc(CNc2ccnc(C#N)c2)s1 234267427 YBHPUBWFBDSHCF-UHFFFAOYSA-N 244.323 2.584 30 20 BFED C#CCCCCC(=O)Nc1ccc(C(=O)O)cc1 236463845 FUCDQTTYGHCAAY-UHFFFAOYSA-N 245.278 2.517 30 20 BFED CC[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CCO1 246318975 GZGYCDYGHLTUGR-DOMZBBRYSA-N 244.338 2.730 30 20 BFED CN(C(=O)/C=C\c1ccccc1)C1(C#N)CCC1 254964642 PCORLHKDHAWHBS-HJWRWDBZSA-N 240.306 2.604 30 20 BFED N#Cc1cccc(CN2CCCc3ccccc32)n1 260309287 XIPZCHQGABPEHH-UHFFFAOYSA-N 249.317 2.906 30 20 BFED CC(C)(C)CN(CCC#N)C(=O)c1ccoc1 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BFED C[C@@H]1CC=CC[C@H]1C(=O)N[C@@H](C#N)C(C)(C)C 285385329 LKCDZZXCCWWVPS-UTUOFQBUSA-N 234.343 2.643 30 20 BFED CCc1ncsc1NC(=O)[C@@](C)(C#N)CC 285721776 JKFRETAQBVNWLY-LLVKDONJSA-N 237.328 2.584 30 20 BFED C#CCCCC(=O)N1CCC=C(c2ccco2)C1 289044672 MGJBQQDDDHOYRU-UHFFFAOYSA-N 243.306 2.699 30 20 BFED CC[C@@](C)(C#N)c1nc(-c2ccc(C)nc2)no1 289977268 DFGAOBPTERIBRN-ZDUSSCGKSA-N 242.282 2.631 30 20 BFED C=CC[C@@H](CC)NC(=O)NCc1occc1C 292608334 LFDAWJBOJXTHNJ-LLVKDONJSA-N 236.315 2.742 30 20 BFED C=CCCCCCN(C)C(=O)c1cc(C=O)c[nH]1 293216392 RMSCEZDLHMCVER-UHFFFAOYSA-N 248.326 2.646 30 20 BFED N#C[C@H]1CC[C@@H](N2CCc3c(F)cccc3C2)C1 293678060 ASLFEFVUHXJIHW-WCQYABFASA-N 244.313 2.876 30 20 BFED C#CCO[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 294178282 DSDPURSPVCIAGI-GFCCVEGCSA-N 245.322 2.787 30 20 BFED C=CC(C)(C)C(=O)N[C@H](C)c1ccc(C#N)cc1 294416128 PMBVUOBPCVEDGJ-LLVKDONJSA-N 242.322 2.948 30 20 BFED C[C@@H](CC#N)N(C)Cc1cccc(O)c1Cl 295365584 ODALYEIUCHQBKS-VIFPVBQESA-N 238.718 2.780 30 20 BFED C=CCCc1noc(-c2cc(C(C)(C)C)n[nH]2)n1 297390277 RTCWAQNXSCCRTD-UHFFFAOYSA-N 246.314 2.876 30 20 BFED C=CCCc1noc(-c2ccnn2C(C)C)n1 297433265 VNCQFMAJUVQXNS-UHFFFAOYSA-N 232.287 2.633 30 20 BFED C#Cc1cccc(NC(=O)N(CC)CCC)c1 299374285 HDHHSQBMSLUVAC-UHFFFAOYSA-N 230.311 2.932 30 20 BFED C[C@@H](C#N)CNc1ccc(OC(F)(F)F)cn1 302584407 UJTARGUPUFMKDX-ZETCQYMHSA-N 245.204 2.552 30 20 BFED CCc1cccc(OCCO[C@@H](C)C#N)c1 304238291 NACLRBKEESXZJU-NSHDSACASA-N 219.284 2.556 30 20 BFED Cc1cc(C#N)cc(NC(=O)NC2CCC2)c1 308207218 UIPSDNOERPZOPA-UHFFFAOYSA-N 229.283 2.541 30 20 BFED C=C[C@@H](COC)N[C@@H](C)c1ccc(Cl)nc1 309442578 IXKZDIAHRYIKRO-ONGXEEELSA-N 240.734 2.587 30 20 BFED C=CC[C@@H](CC)NCCC(C)(C)C(=O)OC 309481168 TURCDVWYPAZMGO-LLVKDONJSA-N 227.348 2.520 30 20 BFED N#Cc1cccc(NC[C@H]2C[C@H]3CC[C@H]2O3)c1 310213058 HLRXKPOQJKFEEY-MRVWCRGKSA-N 228.295 2.538 30 20 BFED CCC[C@@H]1CCCCN1c1ccnc(C#N)n1 310290828 RMHPMDBOJFGFJF-LLVKDONJSA-N 230.315 2.507 30 20 BFED C=CCC(C)(C)CNCc1cccnc1 310583428 SNGDVUMOCBVFLI-UHFFFAOYSA-N 204.317 2.774 30 20 BFED CCc1cnc(C/N=C(/O)C2=CCCC2)o1 330991023 AXLUZYLTAIVPBH-UHFFFAOYSA-N 220.272 2.804 30 20 BFED C[C@@H]1CC[C@H](C(=O)N(CC#N)c2ccccc2)C1 334360874 BEBGJAZXXOJCSW-OLZOCXBDSA-N 242.322 2.979 30 20 BFED N#Cc1cc(F)cc(OCc2cncc(F)c2)c1 334447246 LRHDYRVOYHEILN-UHFFFAOYSA-N 246.216 2.810 30 20 BFED C=CC(C)(C)C(=O)N1CC2(CCCC2)C1 334646037 QIPOLBMYPJHUBA-UHFFFAOYSA-N 207.317 2.601 30 20 BFED C=CC[C@H](C)NC(=O)N1Cc2cccc(F)c2C1 334901694 MANGLPZQORMQFA-JTQLQIEISA-N 248.301 2.816 30 20 BFED CC1(C#N)CCC(NC[C@]2(C)CCCO2)CC1 335170623 MRUMBYQIBIKAHQ-RUXDESIVSA-N 236.359 2.618 30 20 BFED Cc1cc(CN[C@H]2CCC[C@H](C#N)C2)cc(C)n1 335190109 KNLUAZACTACIMP-ZFWWWQNUSA-N 243.354 2.870 30 20 BFED C[C@@H]1C[C@@H](Nc2c(Cl)cccc2C#N)CO1 335429751 PCKHTRYXSSBALC-PSASIEDQSA-N 236.702 2.801 30 20 BFED C[C@H](C#N)CN(C)C(=O)C1CCC(C)(C)CC1 336109716 MOPLKTJTFXGHOD-LLVKDONJSA-N 236.359 2.821 30 20 BFED CN(CC(C)(C)C#N)c1nc2ccccc2n1C 336607027 ZIQZZHAGRFFDME-UHFFFAOYSA-N 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2.651 30 20 BFED COCC#CCn1ccc(-c2cccc(C)c2)n1 871790398 NAXOFMRLVOQTJU-UHFFFAOYSA-N 240.306 2.508 30 20 BFED FC(F)(F)c1ccccc1C=NN1CCC1 872394982 RNVOLUPIWNILQA-UHFFFAOYSA-N 228.217 2.745 30 20 BFED c1ccc(C(C[C@@H]2CCOC2)=NN2CCC2)cc1 872397402 PWQMUVOMNYXFCO-ZDUSSCGKSA-N 244.338 2.523 30 20 BFED C#CCCCCCCNCCOC(F)(F)F 877468373 HQHGNOKUBNPEBV-UHFFFAOYSA-N 237.265 2.696 30 20 BFED C#Cc1cccc(N(CC)C[C@@H]2CCO[C@H]2C)c1 878235379 FVUDCFGRMBICON-ZFWWWQNUSA-N 243.350 2.919 30 20 BFED C[C@]1(C#N)CCCN(CCCC2CC2)C1 878406419 UUMBJWZQPNLXMD-CYBMUJFWSA-N 206.333 2.802 30 20 BFED C=CC(C)(C)CC(=O)OCC[C@@H]1CCCO1 884649554 HOCGGGKGETWWIM-NSHDSACASA-N 226.316 2.701 30 20 BFED C=C1CC(c2noc(CN3CCC(C)CC3)n2)C1 896884832 VPMIHBUADAFNQZ-UHFFFAOYSA-N 247.342 2.735 30 20 BFED C=CCC[C@@H](C)NCCOC1CCSCC1 898440933 WEQYUEDOCCRYLA-GFCCVEGCSA-N 243.416 2.843 30 20 BFED C=CCCC[C@H](N)c1nc(-c2ccco2)no1 900014934 GFRDPACHWYLMJN-VIFPVBQESA-N 233.271 2.686 30 20 BFED O[C@@H]1CCCC[C@H]1NN=C1CCC12CCCC2 901339123 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N#C[C@@H]1CCCN(C(=O)/C=C\C2CCCCC2)C1 928222065 PYJHMDLAQRDOFX-CKXPSTMWSA-N 246.354 2.885 30 20 BFED C=CCC[C@H]1CCCN1C(=O)[C@@H]1CCCS1 1121244364 BKBIYGHKIAIJKG-RYUDHWBXSA-N 239.384 2.839 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)CCn1cccc1 1262654391 FVINUPOWYLGRSV-CQSZACIVSA-N 246.354 2.835 30 20 BFED C=CCC[C@H](O)CN(C)[C@@H]1CC[C@@H](SC)C1 1319141671 FSHAVGRJMDAMEP-FRRDWIJNSA-N 243.416 2.529 30 20 BFED C=C[C@H](COC)NC(=O)C[C@H]1CCCC[C@@H]1C 1320317597 QJSNTYFHHADIBI-YNEHKIRRSA-N 239.359 2.520 30 20 BFED CS[C@H]1CC[C@@H](Nc2cccc(CC#N)n2)C1 1320359575 OUFKFFBUSRJMBJ-NEPJUHHUSA-N 247.367 2.844 30 20 BFED C=C[C@@H]1OCCC[C@H]1Nc1ccc(CC)cn1 1338009327 BBJZGOKCHUSRCE-OLZOCXBDSA-N 232.327 2.790 30 20 BFED C=C[C@@H](C(=O)N(C)C[C@@H](C)C#N)c1ccccc1 1346303650 AJUQIDVERIMYKO-GXTWGEPZSA-N 242.322 2.574 30 20 BFED C=C(C)CCC(=O)N[C@H]1C[C@](C)(OC)C1(C)C 1346882037 CXHFKKHWIRUIQO-FZMZJTMJSA-N 239.359 2.663 30 20 BFED C=C(CC)C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 1347671405 OWPINGLYGNMVOE-GWCFXTLKSA-N 220.316 2.541 30 20 BFED N#CCc1cccc(NCC2CC=CC2)n1 1348110666 LAJAXRWPNMPRPN-UHFFFAOYSA-N 213.284 2.526 30 20 BFED C=C(C)CCC(=O)NCc1ccccc1OC 1356570279 RVQDHONHDHGGAF-UHFFFAOYSA-N 233.311 2.668 30 20 BFED C=C(C)CCC(=O)NC[C@@H]1CCC[C@@H]1C 1517976799 WBOCEWVFQWRLOH-RYUDHWBXSA-N 209.333 2.895 30 20 BFED C=CC[C@H]1CCN1Cc1cc(C(=O)O)cs1 1588772340 DGHHHLFQQBBMOM-JTQLQIEISA-N 237.324 2.597 30 20 BFED C=CC[C@]1(C(=O)O)CCN([C@@H](C)CCC)C1 1776157919 ZPMDQOUALNWCFQ-AAEUAGOBSA-N 225.332 2.528 30 20 BFED N#Cc1ccc(Cl)c(Nc2ncccn2)c1 1898233788 WXLRSBPLCXUTDP-UHFFFAOYSA-N 230.658 2.745 30 20 BFED CCN(CC)CCCNc1ccc(C#N)cc1F 37412566 OFORBMPOWJMLTQ-UHFFFAOYSA-N 249.333 2.841 30 20 BFED CCCC(=O)Nc1cc(C#N)ccc1C 49495749 ITSWQAAJRFVACV-UHFFFAOYSA-N 202.257 2.605 30 20 BFED Cc1ccc(C#N)cc1NCc1ccncc1 50429123 YRVABJPXIJFRNV-UHFFFAOYSA-N 223.279 2.874 30 20 BFED C=CCNC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 53161048 GQRVMHSFBRVNLE-ZYHUDNBSSA-N 233.311 2.638 30 20 BFED C[C@@H](SCCC#N)C(=O)Nc1ccccc1 58256383 PXEQQZPZXQKGPA-SNVBAGLBSA-N 234.324 2.660 30 20 BFED CCN(CCc1cccs1)C[C@H](C)C#N 70165759 YIAGVBNEIUXZHY-LLVKDONJSA-N 222.357 2.772 30 20 BFED C=C(Br)CN[C@H]1CCC[C@@H]1C 70831625 JRONNTOKLUBPAY-CBAPKCEASA-N 218.138 2.673 30 20 BFED Cc1ccsc1CN(C)C[C@H](C#N)CCC#N 78345122 GZBILFJTPHZEBV-LBPRGKRZSA-N 247.367 2.932 30 20 BFED N#Cc1ccc(NCCC2CC2)c(F)c1 83894903 IKBVKTUJBXYKNZ-UHFFFAOYSA-N 204.248 2.909 30 20 BFED CC1(C)CCC[C@@H]1NCC1(CC#N)CC1 86874774 SFUJYCBFIWGIPE-NSHDSACASA-N 206.333 2.849 30 20 BFED N#Cc1c(F)cccc1N[C@@H]1CCCC[C@@H]1CN 89108553 KHZYDAWDKAMVBN-ZWNOBZJWSA-N 247.317 2.627 30 20 BFED N#CC[C@@H](N)c1cc(Br)ccc1F 95662696 LBVICUXFHORAQB-SECBINFHSA-N 243.079 2.502 30 20 BFED C=CCCS(=O)(=O)N(CCCC)[C@H](C)CC 119645751 PDCHKQPSHMQSEP-GFCCVEGCSA-N 247.404 2.793 30 20 BFED C=C(C)CNC(=O)CCCOc1ccc(C)cc1 122908343 HSMJPELKCMFKRB-UHFFFAOYSA-N 247.338 2.846 30 20 BFED C#C[C@H](C)NCc1ccc(Cl)c2cccnc12 123107898 OSIVDHYOJYSTHP-JTQLQIEISA-N 244.725 3.000 30 20 BFED CC[C@H](C)CNc1ccc([N+](=O)[O-])c(C#N)c1 124589975 HXLUOZNLMVHTNK-VIFPVBQESA-N 233.271 2.924 30 20 BFED C=CCCO[C@@H](C)C(=O)NCCCCCC 125018838 QSHKVMBLNFWLSV-LBPRGKRZSA-N 227.348 2.664 30 20 BFED C[C@H]1C[C@@H](NCC(C)(C)C#N)CC[C@H]1C 126416591 RHJHFFZUXRNCGT-WOPDTQHZSA-N 208.349 2.950 30 20 BFED C[C@H]1CCC[C@@H](CNCC(C)(C)C#N)C1 129176769 GQTQNNNDSMXQSS-NWDGAFQWSA-N 208.349 2.952 30 20 BFED Cc1nsc(N[C@@H]2CCCSC2)c1C#N 135598293 RSGRPIQRTBYENU-MRVPVSSYSA-N 239.369 2.631 30 20 BFED CC#CCNC(=O)N1CCC[C@H]1CCC(C)C 136029517 KDGVRRXGHAZWRJ-ZDUSSCGKSA-N 236.359 2.620 30 20 BFED CCOc1ccc(NC(=O)[C@](C)(C#N)CC)cc1 136163889 BPIFIDWBXAIGKF-AWEZNQCLSA-N 246.310 2.964 30 20 BFED CC(C)C[C@H](NC(=O)CC#N)c1ccccc1 153539902 WDMQFYIRIPHKEU-ZDUSSCGKSA-N 230.311 2.804 30 20 BFED CCN(CC#N)C(=O)C[C@@H]1CCCCC1(C)C 161027043 GNLLTNKSEPYXRG-LBPRGKRZSA-N 236.359 2.965 30 20 BFED C=CCCCC(=O)N1CCS[C@@H](C)[C@@H]1C 175715058 SSIMNGFCXCBGFB-QWRGUYRKSA-N 227.373 2.695 30 20 BFED C#CCSCCN[C@@H]1CCc2ccc(F)cc21 181099559 ONPMOTPUPVKVOT-CQSZACIVSA-N 249.354 2.769 30 20 BFED C=C(C)CN(C)C(=O)NCC1(C2CC2)CCC1 181605431 CDMVTNPQZWIYTM-UHFFFAOYSA-N 236.359 2.784 30 20 BFED C=CCCCN[C@@H](COC)c1ccco1 184604020 NZYOVMOKUKVLFI-NSHDSACASA-N 209.289 2.523 30 20 BFED Cc1ccccc1C[C@H](C)NC[C@@H](C)C#N 185574808 JHTUVGSLKFVXIP-AAEUAGOBSA-N 216.328 2.675 30 20 BFED C=CC[C@@H](C(=O)N[C@@H](C#N)CC)c1ccccc1 188914457 BTJUFUUQHIRNBE-ZIAGYGMSSA-N 242.322 2.765 30 20 BFED C#CCCCc1nc(-c2ccsc2)no1 191819692 ILCBVFRLABBYOK-UHFFFAOYSA-N 218.281 2.754 30 20 BFED N#CCSCC(=O)Oc1ccccc1Cl 192482011 DPVWSLBQXRXCMC-UHFFFAOYSA-N 241.699 2.502 30 20 BFED N#Cc1c(F)cccc1NCCCOC(F)F 193620127 VIWKGLZOEMQCHN-UHFFFAOYSA-N 244.216 2.739 30 20 BFED COCCCCCNc1ccc(C#N)cc1F 227424514 MVUSRFFBSPGUME-UHFFFAOYSA-N 236.290 2.926 30 20 BFED C=C(CC)CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 230042114 UPKRBNWHCNSKJD-AVGNSLFASA-N 237.343 2.670 30 20 BFED C#CCCCNC(=O)c1ccc(C(C)C)cc1 231575789 OXXFSGLGJZMYJH-UHFFFAOYSA-N 229.323 2.953 30 20 BFED N#C[C@@H]1CCC[C@H](NCC[C@@H]2CCCCO2)C1 248931744 XXBRCEIQLOQWRA-RDBSUJKOSA-N 236.359 2.618 30 20 BFED N#Cc1ccc(N2CC[C@H]3CCCC[C@H]3C2)cn1 250078682 HFQDCLKXXIGHGA-OLZOCXBDSA-N 241.338 2.970 30 20 BFED N#CC1(CNCC2CCCCC2)CCC1 258903880 LJBUAFMDSHCOBF-UHFFFAOYSA-N 206.333 2.850 30 20 BFED CCc1cccc(N/C(N)=N/C[C@H]2C[C@@H]2C)c1 264091667 LDAUIZICNIPPIB-CMPLNLGQSA-N 231.343 2.632 30 20 BFED C[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1 269589710 SCDZUWFWPPJSPK-GFCCVEGCSA-N 217.287 2.519 30 20 BFED CCN(CC#N)C(=O)c1ccc(C(C)C)cc1O 271257383 LWIKUMFUOMAASQ-UHFFFAOYSA-N 246.310 2.501 30 20 BFED C=CCN(C(=O)c1cc(F)cc(F)c1)C1CC1 271588015 WGMUMVRIGBHLNE-UHFFFAOYSA-N 237.249 2.755 30 20 BFED C=CCC[C@H](C)N[C@@H](CO)Cc1cccc(C)c1 276111122 HQTLSSLYEJBOCJ-GOEBONIOSA-N 247.382 2.843 30 20 BFED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C1=CCCCC1 281644826 YFGZNABXXLBKPC-ZIAGYGMSSA-N 249.354 2.584 30 20 BFED C=CCNCc1ccc(C)cc1-c1cnn(C)c1 282558949 DGOGZWZFCBQMJY-UHFFFAOYSA-N 241.338 2.671 30 20 BFED C#CCCCCNCc1cn2cc(C)ccc2n1 284041571 RRZZZOWUBYMZAS-UHFFFAOYSA-N 241.338 2.536 30 20 BFED C=C[C@H](CO)N[C@H](C)c1cccc(C)c1C 289758823 LMJRIKRAUJCVDE-CHWSQXEVSA-N 219.328 2.501 30 20 BFED C=CCNC1(Cc2ccc(F)cc2)CCOCC1 293413060 ZCCSPPUJNUTMET-UHFFFAOYSA-N 249.329 2.693 30 20 BFED CC#CCN(C)C(=O)C[C@@H](C)c1cccc(F)c1 294634307 SFCVGGLVEJEOFY-GFCCVEGCSA-N 247.313 2.801 30 20 BFED C=CCCC(=O)Nc1cc(C)cnc1OCC 295828201 YWCZHEHZVVRCSM-UHFFFAOYSA-N 234.299 2.693 30 20 BFED Cc1csc(NC(=O)[C@@H]2CC2(F)F)c1C#N 297891736 VOJJYETULAULDS-ZETCQYMHSA-N 242.250 2.522 30 20 BFED C#CCN(C(=O)N[C@@H](C)CCC=C(C)C)C1CC1 298016042 FJFSHWWCWCRQHA-ZDUSSCGKSA-N 248.370 2.929 30 20 BFED CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)cn1 298873564 YOBJEYBTMOOUOG-NWDGAFQWSA-N 243.310 2.718 30 20 BFED C=C[C@@H](SCc1ccccc1C)C(=O)OC 301028309 QHIYEFIYSRDMJT-GFCCVEGCSA-N 236.336 2.956 30 20 BFED Cc1ccc(OCCO[C@H](C)C#N)cc1C 304236048 MGPAZPWIUBVMJD-GFCCVEGCSA-N 219.284 2.611 30 20 BFED CCn1cc(CNc2cc(C)cc(C#N)c2)cn1 308116307 YRYYOMLIWGQNOB-UHFFFAOYSA-N 240.310 2.695 30 20 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2.527 30 20 BFED C=C[C@@H]1CCCCN1C(=O)c1cc(C2CC2)no1 334352867 XTMRCKQCTFIDCD-LLVKDONJSA-N 246.310 2.733 30 20 BFED C[C@@H](C#N)C(=O)N[C@@H]1CCc2c(Cl)cccc21 334491420 GCGWPIUTULFLGJ-QPUJVOFHSA-N 248.713 2.603 30 20 BFED C[C@H]1C[C@]1(C#N)c1nc(CC2CCCC2)no1 334670866 DFKNUAXOBZEWQK-TVQRCGJNSA-N 231.299 2.603 30 20 BFED Cc1ccc(-c2noc([C@@]3(C#N)C[C@H]3C)n2)cc1 334899957 WGVHMPJAYJMYAJ-QMTHXVAHSA-N 239.278 2.846 30 20 BFED CC[C@@H]1CC[C@@H](C)N1C(=O)NCC1(C#N)CCC1 334973617 FYCNBFBXBZMQIE-VXGBXAGGSA-N 249.358 2.653 30 20 BFED C[C@@H]1CCCC[C@@H]1NC(=O)NCC1(C#N)CCC1 335004711 HMBNCEVBMPYKKS-NEPJUHHUSA-N 249.358 2.558 30 20 BFED C[C@H]1C[C@H](Nc2ccc(C#N)c(Cl)c2)CO1 335425893 MDXIXGLBYLCBLM-KWQFWETISA-N 236.702 2.801 30 20 BFED Cc1ccc(C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1F 335542224 NLAZDJQOJXZGFV-CMPLNLGQSA-N 246.285 2.556 30 20 BFED N#C[C@H]1CC[C@H](NC2CC(C(F)(F)F)C2)C1 335622095 WSGVBIXSUZIVPC-FMLYDFSMSA-N 232.249 2.609 30 20 BFED N#Cc1ccc(CN2CC[C@@H]3CCC[C@@H]32)s1 336582276 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C=CCCCCOC(=O)c1ncc[nH]c1=S 837748902 RDNKOEKKVWMPLY-UHFFFAOYSA-N 238.312 2.652 30 20 BFED C#CCC[C@H](C)OC(=O)C1[C@H]2CCCC[C@H]12 839037039 LFTLZJYSIFDNBL-SRVKXCTJSA-N 220.312 2.768 30 20 BFED Cc1ccc(O)c(CNCC(C)(C)CC#N)c1 839163792 PKYYCLFDVUFWRB-UHFFFAOYSA-N 232.327 2.730 30 20 BFED CC(C)OC(=O)O[C@@H](C)SCCC#N 840215157 VSFDDLGQGPHVCY-MRVPVSSYSA-N 217.290 2.541 30 20 BFED C#CCCCNc1cccc([C@H](C)C(=O)OC)c1 841702434 ACOPVSKATMQOGT-LBPRGKRZSA-N 245.322 2.788 30 20 BFED CN(CCON=C1CCC1)Cc1ccccc1 842030299 AROAITSLHLPTPN-UHFFFAOYSA-N 232.327 2.675 30 20 BFED C=C(CC)CSCc1nn(CC)nc1C 842176488 QQTZOICWTUOOQC-UHFFFAOYSA-N 225.361 2.806 30 20 BFED CCCON=C(C)c1ccc(C(=O)O)cc1 842557655 PYUGUMDAYJJHHG-UHFFFAOYSA-N 221.256 2.535 30 20 BFED Cc1cc(SCCC2OCCO2)ccc1C#N 842632465 HRXGBNBQTYNGTC-UHFFFAOYSA-N 249.335 2.722 30 20 BFED C#C[C@H](CC)OC(=O)[C@@]1(C)CCc2ccccc21 842763357 DRNBBVHASXOCEC-CJNGLKHVSA-N 242.318 2.846 30 20 BFED C#CCCc1noc(/C=C\C2CCCC2)n1 842967736 OIHHWDPCZNYRRZ-KTKRTIGZSA-N 216.284 2.839 30 20 BFED C#C[C@H](NC(=O)[C@H]1CC[C@H](C)C1)c1ccccc1 843638522 CJWGZSNPTWKALQ-QEJZJMRPSA-N 241.334 2.913 30 20 BFED C#CC1CCN(C(=O)C[C@@H]2CCC[C@@H]2C)CC1 843705843 SXMBSZXHLUIZRX-JSGCOSHPSA-N 233.355 2.685 30 20 BFED Cc1ccccc1C=NOCc1snnc1C 844235304 GCUUGSPWKPEQGA-UHFFFAOYSA-N 247.323 2.706 30 20 BFED CC/C(C)=C(\C)C(=O)N(C)c1ccc(C#N)nc1 844824731 JJTUTWOBLLNMCU-ZHACJKMWSA-N 243.310 2.662 30 20 BFED CC[C@@]1(C)CN(c2ccc(C#N)cc2C)CCO1 846750616 SWFHWCGAWYWUJL-HNNXBMFYSA-N 244.338 2.872 30 20 BFED C#CCCCCNC(=O)N(CCC)C(C)C 847336965 UNQUVAUVBHYBFJ-UHFFFAOYSA-N 224.348 2.620 30 20 BFED CCN(C(=O)C#Cc1cccs1)[C@@H](C)C(C)C 848100367 NOHMDUMGPMKBCU-LBPRGKRZSA-N 249.379 2.993 30 20 BFED C=CCCCCCCCC/N=C1/NC[C@H](C)N1 849077429 HMLWHHYASCRHFB-ZDUSSCGKSA-N 237.391 2.840 30 20 BFED COc1ccc(C=NN2CCCC[C@@H]2C)c(O)c1 853380800 SVTNAWMEVRPESI-NSHDSACASA-N 248.326 2.609 30 20 BFED CC(C)C#CC(=O)N1CCCCCCCC1 854842062 DXMIZNROGCVDLE-UHFFFAOYSA-N 221.344 2.829 30 20 BFED C=CCCONC(=O)C1=CCCCCC1 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30 20 BFED C=C(C)CNCc1cc(O)cc(Cl)c1 893896714 RJPWEZVCSCKJRK-UHFFFAOYSA-N 211.692 2.711 30 20 BFED C#Cc1ccc(C(=O)NCCCSCC)cc1 897669538 XOUOGODNHMGHDK-UHFFFAOYSA-N 247.363 2.541 30 20 BFED C=C(C)C[C@H](NC/C=C\c1ccccc1)C(=O)O 901680385 XIBSRYZEFMHMCO-PIZKADEWSA-N 245.322 2.709 30 20 BFED C=CCC[C@H](N[C@@H](C)CCCCC)C(=O)O 901691736 CNCUZHUJJJZMKS-RYUDHWBXSA-N 227.348 2.964 30 20 BFED C=C[C@H](CC)CC(=O)OCc1ccn(CC)n1 905992650 VGKFZOKXHUOYPC-LLVKDONJSA-N 236.315 2.549 30 20 BFED C=CCn1nnnc1SCCCCCCC 919675916 XGPAPIQMSLZTPS-UHFFFAOYSA-N 240.376 2.922 30 20 BFED C=C[C@H](CC)CC(=O)N1CCC[C@@H]2C[C@@H]21 935924895 WXGUVOCPPNINBS-UTUOFQBUSA-N 207.317 2.600 30 20 BFED Cn1ccc(NN=Cc2ccccc2C2CC2)n1 1116743689 BUYHLLFFWFEYNH-UHFFFAOYSA-N 240.310 2.744 30 20 BFED CC(C)(C)ON=Cc1cccnc1Cl 1117742707 UCOFOMXLDWYKET-UHFFFAOYSA-N 212.680 2.884 30 20 BFED C=CCN(Cc1cc(C)[nH]n1)Cc1cccs1 1320475890 RKZUFLQLQVIVPU-UHFFFAOYSA-N 247.367 2.968 30 20 BFED C#CCN(CC1CC1)C(=O)C1=CCCCCC1 1321394817 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C=CC[C@@H]1CC[C@H](N[C@@H]2CC[C@H]3CNC[C@H]3C2)C1 1574899563 AVLPWSRMOOEKJY-DGADGQDISA-N 248.414 2.709 30 20 BFED C[C@@H](Oc1ccccc1)c1ncnc(C#N)c1F 1898217141 HTJXGCUTXNLHJF-SECBINFHSA-N 243.241 2.627 30 20 BFED N#CCCN1CCC[C@H]1c1ccccc1 34492705 JGVWRLAOYJKCOU-ZDUSSCGKSA-N 200.285 2.737 30 20 BFED CC[C@H](C)N(C)Cc1cc(C#N)ccc1F 37110153 BLOJJOYFSWPYAG-JTQLQIEISA-N 220.291 2.928 30 20 BFED CCn1cc(N[C@@H](C)c2cccc(C#N)c2)cn1 37261282 PAADMQLBLVVNDM-NSHDSACASA-N 240.310 2.948 30 20 BFED Cc1cc(C)c(C(=O)O[C@@H](C)C#N)c(C)c1 60385417 ZLBQLAVQIKJTJR-NSHDSACASA-N 217.268 2.681 30 20 BFED CCCN(CC#N)C(=O)/C=C/c1ccc(F)cc1 60542149 UAPHNPXEYHUHBL-VMPITWQZSA-N 246.285 2.601 30 20 BFED N#CC1CCN(C(=O)/C=C/c2cccs2)CC1 61585936 XXMRDQROEDTOOH-ONEGZZNKSA-N 246.335 2.523 30 20 BFED CC(C)[C@H](C#N)NC(=O)c1cc2ccccc2o1 70981294 POTRFMQHWKSEGF-NSHDSACASA-N 242.278 2.711 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccccc1C(C)=O 73769799 RMSPRNMWYPRQED-SNVBAGLBSA-N 231.295 2.584 30 20 BFED N#Cc1ccc(N[C@H]2CCSC2)c(F)c1 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2.961 30 20 BFED Cc1ccc(CNCC(C)(C)C#N)cc1[N+](=O)[O-] 168932532 UAFKYIJRKTYVCJ-UHFFFAOYSA-N 247.298 2.543 30 20 BFED C#CCCOC(=O)CCC1CCCCC1 170718381 VOKNTLVBSVLTOJ-UHFFFAOYSA-N 208.301 2.913 30 20 BFED C[C@@H](C(=O)OCCCC#N)c1cccs1 172425576 KDIVOPRYORKNHY-SECBINFHSA-N 223.297 2.699 30 20 BFED C#Cc1cccc(NC(=O)NCCC2CC2)c1 174786505 XSVKQRFCZXSCHZ-UHFFFAOYSA-N 228.295 2.590 30 20 BFED N#Cc1csc(C(=O)OCCC(F)(F)F)c1 175852463 XZUQWBIOMPBBAI-UHFFFAOYSA-N 249.213 2.729 30 20 BFED C=CCSCCNC(=O)c1oc(C)cc1C 176250686 PNFJPUSWVNBZFQ-UHFFFAOYSA-N 239.340 2.545 30 20 BFED CCC[C@@H](C)Sc1nc(N)c(C#N)cc1C#N 178476821 GEMBXCFSQIZMRA-MRVPVSSYSA-N 246.339 2.688 30 20 BFED C[C@@H](C#N)CNc1nc(-c2ccccc2)ns1 181125882 MVSSMDOFYYEJOT-VIFPVBQESA-N 244.323 2.777 30 20 BFED CC1(C)CCCC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 181341705 WWYOOPCQMYVJHF-LBPRGKRZSA-N 245.326 2.585 30 20 BFED N#C[C@@H]1CCC[C@@H](NCCCN2CCCCC2)C1 185760915 FHIGLODENUKXLU-HUUCEWRRSA-N 249.402 2.534 30 20 BFED C#C[C@@H](C)NC(=O)N1CCC[C@H]1c1ccccc1 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30 20 BFED C=CCNC(=O)[C@H](C)SCc1ccsc1 901835028 BFUJIMUKYLRLNM-VIFPVBQESA-N 241.381 2.672 30 20 BFED C=CCC[C@H](CCC)N[C@H]1COC[C@H]1C 903394957 IQVSPGMSSINSHY-AGIUHOORSA-N 211.349 2.746 30 20 BFED C=CC[S@](=O)[C@@H](C)c1ncc(C(C)(C)C)o1 905224264 NTXGCCUNDQKLDC-FVMDXXJSSA-N 241.356 2.968 30 20 BFED CCCNN=C(C)c1ccc(C)c([N+](=O)[O-])c1 915965274 DCUIHXVPQZNBSP-UHFFFAOYSA-N 235.287 2.627 30 20 BFED CCCCNN=C(C)c1cccc([N+](=O)[O-])c1 915965887 FWHJDZPDDGTKQO-UHFFFAOYSA-N 235.287 2.709 30 20 BFED C=CCNC(=S)N(C)[C@H](C)c1ccccc1 917051881 VUCBZYGDFKFRAR-LLVKDONJSA-N 234.368 2.740 30 20 BFED C=C(Cl)COC(=O)c1cnn(C(C)(C)C)c1 917322837 FOAVSACWCLJACG-UHFFFAOYSA-N 242.706 2.547 30 20 BFED C[C@H](CC(=O)N1CCC[C@H](C#N)C1)c1ccco1 928211994 QWXMXYLMNXQVOM-VXGBXAGGSA-N 246.310 2.535 30 20 BFED C=C1CN(C(=O)Nc2ncc(C(C)C)s2)C1 931083887 IPMMNYVXZNNYFE-UHFFFAOYSA-N 237.328 2.670 30 20 BFED C=C[C@H](CC)CC(=O)NC1(C#N)CCCCC1 931297472 JGZAOKOMUJHAFE-GFCCVEGCSA-N 234.343 2.931 30 20 BFED 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243.354 2.771 30 20 BFED C#CCCCN[C@H]1C[C@H](OCCCC)C1(C)C 776163534 SZZMENDTSVFQMG-KBPBESRZSA-N 237.387 2.973 30 20 BFED N#Cc1ccc(C=NNc2cc(Cl)ccn2)o1 777905446 JGUOLFZBHGVEAF-UHFFFAOYSA-N 246.657 2.646 30 20 BFED C=CCN(C(=O)[C@@H](F)Cc1ccccc1)C1CC1 778417902 CGNJKGSBUPALGX-AWEZNQCLSA-N 247.313 2.744 30 20 BFED C#CCC(C)(C)C(=O)Nc1cc(CC(C)C)[nH]n1 779380053 RVFKMHMITNDOFJ-UHFFFAOYSA-N 247.342 2.596 30 20 BFED Cc1nc(C=NN[C@H]2CCCC2(C)C)cs1 782287050 JKNDPFOJLURWFH-NSHDSACASA-N 237.372 2.954 30 20 BFED N#Cc1ccc(CC(=O)OCCC2CCC2)cc1 783443219 TXOOOTWGYPGLGB-UHFFFAOYSA-N 243.306 2.834 30 20 BFED C#CCNC(=O)Nc1ccc(C2CCC2)cc1 786233845 CEYCNPABFLLGDU-UHFFFAOYSA-N 228.295 2.709 30 20 BFED N#CCCNC(=O)c1ccc(C2CCC2)cc1 787627814 OJXJHVJTCYGBHD-UHFFFAOYSA-N 228.295 2.598 30 20 BFED CCC1CCC(=NOC[C@@H]2CCOC2)CC1 788038589 JFVZECLIHMYMIL-PIJUOVFKSA-N 225.332 2.996 30 20 BFED C=CCCCN[C@@H]1CCc2ccccc2OC1 790494929 HGXUJTDHIPGEDR-CQSZACIVSA-N 231.339 2.936 30 20 BFED Cc1cc(C=NN[C@H](C)C(C)(C)C)sn1 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C#C[C@@H](NC(=O)C=C(CC)CC)C(C)(C)C 807883263 JUKXDXAOHLUFRU-GFCCVEGCSA-N 221.344 2.897 30 20 BFED Cc1ccc(C=NN[C@H]2CCSC2)cc1F 808004491 QTHUTISWUZMDLE-NSHDSACASA-N 238.331 2.563 30 20 BFED C#C[C@@H](NC(=O)NCC1CCCC1)C(C)(C)C 808237831 HSIIODUTQJJSHB-GFCCVEGCSA-N 236.359 2.524 30 20 BFED C=CCCCCOC(=O)C1(COCC)CC1 811012923 CDYVSKIKPDEULE-UHFFFAOYSA-N 226.316 2.703 30 20 BFED CC(=NNC[C@@H]1CCSC1)C1CCCC1 811659257 PRPJDNSYENDVBY-NSHDSACASA-N 226.389 2.895 30 20 BFED CC1(C)C(=NOC/C=C\Cl)[C@@H]2CCCO[C@@H]21 811670584 WEJVBACCFCYSFT-QBPABEPQSA-N 243.734 2.947 30 20 BFED CC(=NNc1ccccc1)c1c[nH]nc1C 814684351 OUXOXDWZYRCBCJ-UHFFFAOYSA-N 214.272 2.554 30 20 BFED CC(=NNc1cccc(C)c1)c1cc[nH]n1 814687729 SQDPTDKOPIUHDN-UHFFFAOYSA-N 214.272 2.554 30 20 BFED Cc1ccc(NN=C2CC[C@@H]2C2CC2)nc1 814831939 YCVZENZOBWHDHI-LLVKDONJSA-N 215.300 2.978 30 20 BFED C=CCCCCCCCN[C@@H]1CCC[C@@H]1N 817933005 ZHOWFEVYBBHUQY-UONOGXRCSA-N 224.392 2.982 30 20 BFED CC#CCN(C)C(=O)/C=C/C1CCCCC1 819249663 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218.243 2.930 30 20 BFED C=CCCC(=O)OC[C@H](Cc1ccccc1)OC 835730987 GGNKYRIYGSWJRQ-AWEZNQCLSA-N 248.322 2.754 30 20 BFED C=C(C)CCNC(=O)N[C@@H]1CC[C@@H](SC)C1 836328979 NTVVWCZAOIOBJZ-GHMZBOCLSA-N 242.388 2.536 30 20 BFED CC(C)(C)C[C@H]1CCN(C(=O)C#CC2CC2)C1 837693413 TYDSHFOYSWBGSZ-CYBMUJFWSA-N 233.355 2.685 30 20 BFED C=CCOCCCOC(=O)[C@]1(C)CC=CCC1 838186070 YWQHDXFHPLTFQA-CQSZACIVSA-N 238.327 2.869 30 20 BFED C#CCC[C@H](C)OC(=O)c1cccs1 839031836 IFQWLNJNQMZYRD-VIFPVBQESA-N 208.282 2.707 30 20 BFED C=C(Br)CSCCC#N 840210999 FDYHJTIZFQAZQI-UHFFFAOYSA-N 206.108 2.542 30 20 BFED CCC(=NNc1nc(C)cc(O)n1)[C@H]1CC1(C)C 841603242 GJXWGMOUVSRFIV-SECBINFHSA-N 248.330 2.715 30 20 BFED C[C@@H](O)CN(C)N=CC1CCC(C)(C)CC1 841650704 LGIBYHZOLGBFIR-LLVKDONJSA-N 226.364 2.501 30 20 BFED N#C[C@@H](OC(=O)/C=C\C1CCCC1)C1CC1 842727746 SAGBEUIRODBTAJ-VVEJJEBESA-N 219.284 2.578 30 20 BFED CC(C)(C#N)OC(=O)/C=C\C1CCCC1 842734757 KVAINNMVYCRNPF-FPLPWBNLSA-N 207.273 2.578 30 20 BFED C=C(C)CON=Cc1cc(OCC)ccc1O 844614186 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CC(=NOCC(F)F)c1cc(O)ccc1F 872367356 URXPOLWSBZDDFS-UHFFFAOYSA-N 233.189 2.537 30 20 BFED C#C[C@@H](OC(=O)[C@H](CC)CCC)C1CC1 873512480 CRIARFFYMLGUIC-ZYHUDNBSSA-N 208.301 2.768 30 20 BFED C=CC[C@@H](C)NCc1c(C)cccc1O 877036332 OALPHBMSJWTRIP-LLVKDONJSA-N 205.301 2.755 30 20 BFED C#C[C@H](CC)N[C@H](C)[C@@H](OC)c1ccccc1 877513495 XCTXFGOVJKDSTF-BPLDGKMQSA-N 231.339 2.764 30 20 BFED C=CC(C)(C)CC(=O)N1CCSCC[C@@H]1C 879741536 UJHLRPJGCZQSKE-NSHDSACASA-N 241.400 2.943 30 20 BFED Cc1cc(CN(CCC#N)CC2CC2)cnc1F 891937305 GRPUKCNWCQPRNK-UHFFFAOYSA-N 247.317 2.655 30 20 BFED C=C1CC(c2noc([C@@H]3CC34CCOCC4)n2)C1 896878348 YPAPRJUGKBCMAU-NSHDSACASA-N 246.310 2.787 30 20 BFED CCC(CC)NN=Cc1cnc(F)c(C)c1 901197649 YIQILRUSBJEZNV-UHFFFAOYSA-N 223.295 2.641 30 20 BFED CCCSCC(C)=NN[C@H](C)CC 901235136 VAEQCTRNHLPONN-SECBINFHSA-N 202.367 2.894 30 20 BFED CC(C)(C#N)CN[C@@H]1CCc2ccc(F)cc21 903099838 BIDUHBLPGDXANK-CYBMUJFWSA-N 232.302 2.952 30 20 BFED C=CC[C@H](C)NC(=O)c1ccc(Cl)nc1F 906724061 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C=C(C)CCC(=O)OC[C@@]1(C)C[C@H]1F 1515395882 YSMDPRRLTLHCHM-MWLCHTKSSA-N 200.253 2.634 30 20 BFED CCC(C#N)(CC)C(=O)OC[C@H](C)SC 1518403005 GMAJVWTUPYHWNZ-VIFPVBQESA-N 229.345 2.611 30 20 BFED C=CC(C)(C)CCCN[C@@H]1CC[C@H](CN)C1 1574872695 QYWKNWWUJDZWEB-QWHCGFSZSA-N 224.392 2.696 30 20 BFED CN(Cc1cccnc1)[C@@H](C#N)c1ccccc1 1658096082 MGVUPBPCDCJRLN-HNNXBMFYSA-N 237.306 2.778 30 20 BFED N#Cc1ccc(NCCc2cccc(F)c2)nc1 35149539 KKTFYDXWMKYPAF-UHFFFAOYSA-N 241.269 2.747 30 20 BFED N#CCCCN1CC[C@@H]2CCCC[C@H]2C1 35174416 XJYLEPYDFDSIAM-STQMWFEESA-N 206.333 2.802 30 20 BFED CC(C)[C@@H](C)N(C)CCOc1ccc(C#N)cc1 35238565 KPYJIYOVKKCCAT-CYBMUJFWSA-N 246.354 2.913 30 20 BFED C[C@@H](Nc1ccc(C#N)cc1)C1CCN(C)CC1 37210095 FZSLZPPGWZEWQQ-GFCCVEGCSA-N 243.354 2.700 30 20 BFED Cc1cc(C(=O)NC2(C#N)CCCCC2)c(C)o1 40216425 ZHPZDEJTWODMLV-UHFFFAOYSA-N 246.310 2.853 30 20 BFED CCOC1CCN(c2ccc(C#N)cc2C)CC1 40690059 ADZJKDYOGHEUMG-UHFFFAOYSA-N 244.338 2.872 30 20 BFED CC[C@H](C)CN(C)c1nc(C)ccc1C#N 43399228 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30 20 BFED CN(CCC#N)C(=O)Nc1ccc2occc2c1 1626936111 MTFDVFUJJSSNTM-UHFFFAOYSA-N 243.266 2.810 30 20 BFED C[C@H](NCCCC#N)c1ccccc1F 42224689 QZFCJONSOYKVHS-JTQLQIEISA-N 206.264 2.780 30 20 BFED Cc1ccc(C#N)c(NCCc2cccs2)n1 43395412 KZIABFQVVVBMSK-UHFFFAOYSA-N 243.335 2.978 30 20 BFED N#Cc1cccc(C(=O)NC[C@H]2CC=CCC2)c1 44569541 XTQLSHXENDGFMB-LBPRGKRZSA-N 240.306 2.644 30 20 BFED CC[C@H](C#N)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 44823565 ADQQEVIMDVNNJL-AGIUHOORSA-N 234.343 2.717 30 20 BFED CC[C@@H](CC#N)N[C@H](C)Cc1ccsc1 49181882 HNNYGXHIAYQVRT-PWSUYJOCSA-N 222.357 2.961 30 20 BFED CCC[C@@H](C#N)NC(=O)Cc1ccc(C)c(C)c1 53138629 ILCLSJYNGMBFRB-AWEZNQCLSA-N 244.338 2.654 30 20 BFED C=CCCOCCN[C@H]1CCC[C@@H](C)C1 53584849 LISQMZLZTWLGJS-OLZOCXBDSA-N 211.349 2.747 30 20 BFED CCc1ccc(Nc2nccnc2C#N)cc1 54379108 PFUNPZGABROGMA-UHFFFAOYSA-N 224.267 2.654 30 20 BFED C=C(C)CN(CC)C(=O)Cc1ccc(C)cc1 55206579 PVUGNTQXDRWLJY-UHFFFAOYSA-N 231.339 2.962 30 20 BFED C=C(C)COC(=O)c1ccc(Cl)cc1N 57983046 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CCOc1ccc(C#N)cc1N[C@@H]1CCSC1 183165868 MNPPRHPQZQPCLD-LLVKDONJSA-N 248.351 2.874 30 20 BFED CC#CCCCC(=O)Oc1ccccc1OC 184867627 WHIIAQBLXZKZSP-UHFFFAOYSA-N 232.279 2.794 30 20 BFED COc1ccc(N[C@H]2CCC[C@@H](C#N)C2)c(C)n1 185868638 SGXCTFQQRIKYMR-NEPJUHHUSA-N 245.326 2.893 30 20 BFED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1cnn(C)c1C 188283304 XVCRBOVMOGPTDI-YGRLFVJLSA-N 249.358 2.508 30 20 BFED C=C(CN[C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1 211866011 KDKHXISUDOTOQR-GOEBONIOSA-N 244.382 2.772 30 20 BFED C[C@@H]1CCC[C@H](Nc2nccnc2C#N)CC1 227539999 JBAWCSPXHBZOHD-MNOVXSKESA-N 230.315 2.729 30 20 BFED C[C@H]1CCC[C@@H]1CNc1cc(C#N)ccn1 230683551 BIKAPXMVDLQHSY-CMPLNLGQSA-N 215.300 2.801 30 20 BFED C#C[C@@H](CCC)NC(=O)c1cccc2[nH]ccc12 233292815 NMYPVHMMIGOYQK-NSHDSACASA-N 240.306 2.700 30 20 BFED CS[C@@H]1CC[C@@H](Nc2cc(C#N)ccn2)C1 235100396 QFEKQGYGATUHQX-GHMZBOCLSA-N 233.340 2.649 30 20 BFED CS[C@H]1CCC[C@H](NCCCCC#N)C1 235218933 XFEQPKKJAJQHFG-RYUDHWBXSA-N 226.389 2.944 30 20 BFED C=CCNC(=O)[C@@H](C)SCc1cccc(C)c1 247832842 LZWFIZMFBKBNKN-GFCCVEGCSA-N 249.379 2.919 30 20 BFED N#C[C@H]1CCCN(C[C@H]2C[C@H]3CC[C@H]2C3)C1 251291195 NREOOIPRCAUXGT-RFQIPJPRSA-N 218.344 2.658 30 20 BFED C=CCOC(=O)/C=C\c1ccc2ccccc2n1 255134930 VLNKHTVRETZVQI-KTKRTIGZSA-N 239.274 2.977 30 20 BFED CC(C)(C)N/C(N)=N/C[C@@H]1CCC[C@@H]1C1CC1 263042650 CPCZTQHTLDCZDW-NWDGAFQWSA-N 237.391 2.516 30 20 BFED C=CCN(CC=C)C(=O)[C@H](C)SCC(=C)C 267012054 MZVIBLNCWSLNNP-LBPRGKRZSA-N 239.384 2.885 30 20 BFED Cc1ccsc1CN(CC#N)C1CC1 271166171 ZMWVHDOOCGPIDO-UHFFFAOYSA-N 206.314 2.545 30 20 BFED C#CCN(Cc1cnc2ccccc2c1)C1CC1 274178967 XRPARIIQACFOOB-UHFFFAOYSA-N 236.318 2.832 30 20 BFED C=C(C)CNC(=O)Nc1ccc(F)c(OC)c1 275419751 HNNSZKDPUOOCCI-UHFFFAOYSA-N 238.262 2.532 30 20 BFED C=C[C@](C)(CCOC)C(=O)Nc1cccnc1C 275638671 RRAWUDMHWFFNDC-CQSZACIVSA-N 248.326 2.557 30 20 BFED C=CCCN(C)C(=O)Cc1ccc(F)c(F)c1 276434328 RXAVMAWTKSQXCV-UHFFFAOYSA-N 239.265 2.542 30 20 BFED C=CCCN(C)CC(=O)Nc1cccc(CC)c1 276497805 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CC(C)CCC[C@H](C)NC(=O)NC[C@@H](C)C#N 182311493 AKMOROBKSBEGIN-RYUDHWBXSA-N 239.363 2.660 30 20 BFED C=CCSCCNC(=O)[C@H](C)[C@@H](C)CC 183503567 CZUALNNXRGKNPP-WDEREUQCSA-N 229.389 2.704 30 20 BFED CC#CCCCC(=O)N(C)Cc1ccc(O)cc1 184468161 BHWARONXKKCQHN-UHFFFAOYSA-N 245.322 2.544 30 20 BFED C#C[C@@H](C)NC(=O)N(C)[C@H](C)c1ccc(F)cc1 186048080 DZCNZSDVCHLUTP-GHMZBOCLSA-N 248.301 2.550 30 20 BFED C=CCC[C@H](C(=O)N(C)OC)c1ccccc1 187780172 QZVYFARHZFPATF-ZDUSSCGKSA-N 233.311 2.756 30 20 BFED COc1cc(C#N)ccc1OC[C@H]1CC[C@@H](C)O1 188520669 ZKTFPIRXBBBNCR-ZYHUDNBSSA-N 247.294 2.513 30 20 BFED C#CCN(C)C(=O)C(C)(C)c1ccc(CC)cc1 191054071 NVHPAJBTBRBKQG-UHFFFAOYSA-N 243.350 2.618 30 20 BFED CC#CCCSC[C@@H]1CC2(CCC2)C(=O)O1 191057312 OYVHOKJNUQSVOF-NSHDSACASA-N 238.352 2.619 30 20 BFED C=CCN(CCOC)Cc1cc(F)ccc1F 191756975 YHYWKHAZUHWBCK-UHFFFAOYSA-N 241.281 2.599 30 20 BFED CCCN(C)Cc1ccc(C#N)c(F)c1 191972797 GMHCFGSHYLXHBJ-UHFFFAOYSA-N 206.264 2.539 30 20 BFED Cn1nccc1C(=O)/C=C/c1cccc(F)c1F 193052491 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CC[C@@H](CC#N)Nc1ncnc2sccc12 273824940 DTFPOXSRDDIXEH-QMMMGPOBSA-N 232.312 2.795 30 20 BFED C=C(C)CCN1CCN(CCC(=C)C)CC1 274814216 YMYYGOLKNAERIZ-UHFFFAOYSA-N 222.376 2.536 30 20 BFED C=CCCN(C)C(=O)Cc1cccc(Cl)c1 276367555 JYSQYTJJWFHUPQ-UHFFFAOYSA-N 237.730 2.917 30 20 BFED C=CC[C@H](NCc1ccc(C(C)C)cc1)C(=O)O 277519173 YQIOGTLSURJTNA-AWEZNQCLSA-N 247.338 2.929 30 20 BFED N#CCCCN[C@H](c1cccnc1)C1CCC1 280897575 PMPPEJMJXQHAFF-AWEZNQCLSA-N 229.327 2.816 30 20 BFED CC#CC(=O)N1CCCC[C@H]1Cc1ccccc1 283349850 PNUKPMKUZPWXIL-HNNXBMFYSA-N 241.334 2.634 30 20 BFED C#Cc1ccc(CNC[C@H]2CCO[C@H](C)C2)cc1 290338628 KXNQAEOZIDMMLJ-CJNGLKHVSA-N 243.350 2.573 30 20 BFED Cn1cc(CN2CC(C)(C)[C@@H]2C2CC2)cc1C#N 291654317 UUTGIMLZNLWUHJ-AWEZNQCLSA-N 243.354 2.517 30 20 BFED Cc1nc(N2CCCC(C)(C)C2)ccc1C#N 292069496 XBOUTCKNJRNIJF-UHFFFAOYSA-N 229.327 2.888 30 20 BFED COc1ccc([C@@H](C)CN2CC(C)(C#N)C2)cc1 297332982 DOPUMJMEQRBEAD-LBPRGKRZSA-N 244.338 2.644 30 20 BFED CC[C@H](c1ccccc1)N(CC)CC#N 299393713 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BFED C[C@H]1COCC[C@H]1Nc1cccc(CC#N)c1 313407930 HWIJSINRWIJVAY-SMDDNHRTSA-N 230.311 2.590 30 20 BFED C=C(CC)CNC[C@H](O)c1ccc(F)c(F)c1 313480124 IDRSMOXSBVOOID-ZDUSSCGKSA-N 241.281 2.554 30 20 BFED C=C(CC)CNC[C@@H](O)c1c(F)cccc1F 313499140 OQFPDFYXZYAQCE-GFCCVEGCSA-N 241.281 2.554 30 20 BFED C=C(CC)CNC1CCC(C(=O)OCC)CC1 313502555 TYINPZWLMFHAAL-UHFFFAOYSA-N 239.359 2.664 30 20 BFED Cc1cccc(OCC2(C#N)CC2)c1[N+](=O)[O-] 331949136 JVWJXYGZAKCTJH-UHFFFAOYSA-N 232.239 2.586 30 20 BFED Cc1ccc2oc(N(C)C[C@H](C)C#N)nc2c1 334740433 IRVLCZKSHUAEKV-SNVBAGLBSA-N 229.283 2.732 30 20 BFED C[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(C#N)n1 335375607 MJPWOHDHGPAMMY-ZYHUDNBSSA-N 243.310 2.718 30 20 BFED C[C@@H](C#N)C(=O)N[C@]1(C)CCCc2ccccc21 336027019 FPEXDTGODGRDQN-XHDPSFHLSA-N 242.322 2.514 30 20 BFED CC[C@](C)(C#N)C(=O)N(C)[C@H]1CCC(C)(C)C1 336339284 JWNMJVPEJGHRDI-SMDDNHRTSA-N 236.359 2.963 30 20 BFED CN(C(=O)[C@H]1CCC(C)(C)C1)C1(C#N)CCC1 336489802 JDWGHBZEKNXNHD-NSHDSACASA-N 234.343 2.717 30 20 BFED 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229.327 2.865 30 20 BFED C=CCC[C@H](N[C@H]1CC[C@H]1CC)C(=O)OCC 449656577 LLZIWLWEAMWPGQ-AGIUHOORSA-N 239.359 2.663 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(C)o1 453347056 HDPBWGNRULULSX-UTUOFQBUSA-N 221.300 2.582 30 20 BFED C=C(CC)CN[C@H](C)c1cnc(C)nc1C 453361063 NHGZALTYPVEDRN-SNVBAGLBSA-N 219.332 2.710 30 20 BFED C=CC(C)(C)CNC(=O)NCC1CC(F)(F)C1 454985665 IWIXZZOLSHYODS-UHFFFAOYSA-N 246.301 2.543 30 20 BFED CCC[C@@H](CC)NC(=O)N(C)CC(C)(C)C#N 458073132 DYBHUSSCUJJCBD-LLVKDONJSA-N 239.363 2.756 30 20 BFED C=C(C)CNC(=O)N1C[C@@H](C)CC(C)(C)C1 488528413 AISYQSKGMQUXDJ-NSHDSACASA-N 224.348 2.640 30 20 BFED C=CCCO[C@@H](C)C(=O)N1CCCC[C@@H]1C=C 488851124 IQMJMRXAFNCNKW-STQMWFEESA-N 237.343 2.535 30 20 BFED C#C[C@@H](CCC)NC(=O)N(C)Cc1ccccc1 491363477 ZZZUPNKTRVBGOL-AWEZNQCLSA-N 244.338 2.630 30 20 BFED C#C[C@H](NC(=O)[C@@H](C)CCC)C(C)(C)C 491789231 YXCFOBYVGHWVDK-QWRGUYRKSA-N 209.333 2.587 30 20 BFED C=C(C)CNC(=O)/C=C\C1CCCCC1 492753787 SGFINXHZVXPBLC-HJWRWDBZSA-N 207.317 2.815 30 20 BFED CCC[C@H]1CCCCN1C(=O)NCC1(C#N)CC1 567309312 BDWGIPQQWNOCIF-LBPRGKRZSA-N 249.358 2.654 30 20 BFED C=C1CCN([C@@H](C(=O)O)c2ccccc2C)CC1 581671749 HHBVRFQFSYUPAZ-CQSZACIVSA-N 245.322 2.773 30 20 BFED C[C@H]1[C@H](C)CCN1C(=O)CCCCCC#N 588160362 JONRUAQNAPPQMZ-NEPJUHHUSA-N 222.332 2.717 30 20 BFED C[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)CO1 592366090 SGWHZHZIYGCMNU-SNPRPXQTSA-N 244.338 2.798 30 20 BFED CC[C@H](C#N)N(C)C(=O)c1sccc1C1CC1 594093575 CPZHDFHGRNQOEV-SNVBAGLBSA-N 248.351 3.000 30 20 BFED CC[C@H](C#N)C(=O)Nc1c(O)cccc1Cl 594367346 LBWKFNOLSHNCQZ-SSDOTTSWSA-N 238.674 2.534 30 20 BFED CCC[C@H](C)NCCc1ccc(C#N)cc1 595057844 XVBNAHJBTPYGBM-LBPRGKRZSA-N 216.328 2.879 30 20 BFED C=CC[C@@H]1CCCN(C[C@@H](C#N)CCC#N)C1 595661302 YDPKAWIOEXVQBA-ZIAGYGMSSA-N 231.343 2.718 30 20 BFED Cc1cccc(C(=O)N(C2CC2)[C@H](C)C#N)c1F 598130008 AQLALTKRIWCBGM-SNVBAGLBSA-N 246.285 2.651 30 20 BFED Cc1cc(C)cc(CNC(=O)C2(C#N)CCC2)c1 598144488 XAWMHIMOMFOEJF-UHFFFAOYSA-N 242.322 2.614 30 20 BFED 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CCC[C@@]1(CO)CCN(c2ccc(C#N)cc2)C1 288853414 JYXABZHNDOGXEZ-OAHLLOKOSA-N 244.338 2.547 30 20 BFED COC[C@]1(C)CCN(c2cccc(F)c2C#N)C1 294254447 QHHSSADUESSRIE-CQSZACIVSA-N 248.301 2.560 30 20 BFED C#C[C@@H](NC(=O)Nc1cccc(F)c1C)C(C)C 294351063 YFFHPYPTFBPCIC-GFCCVEGCSA-N 248.301 2.913 30 20 BFED Cc1sccc1CN(C)[C@@H](C)CC#N 295245122 FIQDWMSILQEJST-VIFPVBQESA-N 208.330 2.791 30 20 BFED C#CCO[C@H](C)C(=O)O[C@@H](C)c1cccc(C)c1 297332950 JKJPKXHCVGUQQR-QWHCGFSZSA-N 246.306 2.638 30 20 BFED C=CCCc1noc(-c2ncccc2C)n1 297386612 RLKQYRHAMDGUPV-UHFFFAOYSA-N 215.256 2.559 30 20 BFED CCOc1cc(C#N)ccc1OC(=O)CC1CC1 298379246 XRZSLJATYDIXCW-UHFFFAOYSA-N 245.278 2.662 30 20 BFED C[C@@H]1C[C@@H]1CNC(=O)Nc1ccc(CC#N)cc1 298436361 BJTNDCBMLFGXIJ-ZYHUDNBSSA-N 243.310 2.530 30 20 BFED C#C[C@@H](NC[C@@H]1C[C@H]2CC[C@H]1C2)C(C)C 300989923 VKRDRHSATJZMEW-XDQVBPFNSA-N 205.345 2.670 30 20 BFED C[C@H](Nc1ncc(F)cn1)c1cccc(C#N)c1 301753564 BZELLZZFJXXQCN-VIFPVBQESA-N 242.257 2.660 30 20 BFED C=C(C)CN(C)c1ccccc1[N+](=O)[O-] 302037774 KKBRLAHURVGUOW-UHFFFAOYSA-N 206.245 2.607 30 20 BFED Cn1ccc2ccc(Nc3nccnc3C#N)cc21 302644461 IUSVKKXUGYVGQZ-UHFFFAOYSA-N 249.277 2.584 30 20 BFED Cc1cc(C#N)cc(NCc2cncs2)c1 308112259 YYSROQVLCQOVOX-UHFFFAOYSA-N 229.308 2.935 30 20 BFED Cc1nc(C#N)cc(NC2C[C@H](C)C[C@@H](C)C2)n1 308325109 FFEQWLRCZRXVIZ-NXEZZACHSA-N 244.342 2.893 30 20 BFED C[C@H]1CCC[C@H](Nc2cc(C#N)ncn2)CC1 310100484 XMLXTROIKYOGHP-QWRGUYRKSA-N 230.315 2.729 30 20 BFED C=C[C@@H](C)NCc1cccc(O)c1Cl 328258525 USPIMKIRXRABPB-MRVPVSSYSA-N 211.692 2.710 30 20 BFED CC(C)(C#N)CC(=O)N[C@@H](C#N)C1CCCCC1 330992186 YREGTMLLQJBSMQ-LBPRGKRZSA-N 247.342 2.515 30 20 BFED CC1(C#N)CCN(C(=O)C2(C)C[C@@H]3C[C@H]3C2)CC1 334271189 GPSXFWVTBLEZEU-RYUDHWBXSA-N 246.354 2.575 30 20 BFED C[C@H]1C[C@@]1(C#N)C(=O)N1CCC2(CCCCC2)C1 334742485 PMRXBZPGSZJAPZ-WFASDCNBSA-N 246.354 2.719 30 20 BFED C=CC1CCN(C(=O)[C@@H]2CCC[C@H](F)C2)CC1 335101161 VVODYQSMOHSUDI-OLZOCXBDSA-N 239.334 2.939 30 20 BFED C=C[C@@H]1CCCCN1C(=O)c1cc(Cl)c[nH]1 335311169 OVEXGGUOXIMAJE-SNVBAGLBSA-N 238.718 2.849 30 20 BFED C[C@@H]1CCN(c2nccc(C#N)c2Cl)[C@@H]1C 335959837 XKKFUJLKJTYKEP-RKDXNWHRSA-N 235.718 2.841 30 20 BFED C=CCNC(=O)N1CCCC2(CCCC2)C1 336180109 VCRCZMNUOOPACH-UHFFFAOYSA-N 222.332 2.538 30 20 BFED C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H](C)C1 336246272 HBLCKZKPAYHCAZ-MNOVXSKESA-N 209.333 2.894 30 20 BFED C=CCSCC(=O)N(CC(C)C)C(C)C 337848049 QBZGHSHXTJGTJK-UHFFFAOYSA-N 229.389 2.799 30 20 BFED CC(C)CCC(=O)NCC#Cc1cccc(F)c1 338154538 MUYJCIBYNJYYQY-UHFFFAOYSA-N 247.313 2.730 30 20 BFED N#Cc1cc(N[C@@H]2CCC[C@H]2F)ccc1[N+](=O)[O-] 338827277 IJXMLTRKFNAKDV-GHMZBOCLSA-N 249.245 2.769 30 20 BFED C=CCC(C)(C)c1noc(CCCCOC)n1 340796865 MSYVIEUEYHLPBY-UHFFFAOYSA-N 238.331 2.892 30 20 BFED CC[C@]1(C)CCN(c2cc(C)nc(C#N)c2)C1 342548984 NANWGIVPTRVSSN-CQSZACIVSA-N 229.327 2.888 30 20 BFED C=C[C@](C)(CC)C(=O)NCC(C)(C)OCC 344004796 ZETJHWBDUFAJGT-CYBMUJFWSA-N 227.348 2.520 30 20 BFED CC#CCCCC(=O)Nc1cc(OC)ccc1O 344071396 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2.507 30 20 BFED C[C@H](NCc1ccns1)c1cccc(C#N)c1 404325264 UNVQMSDOJPAPJW-JTQLQIEISA-N 243.335 2.866 30 20 BFED N#Cc1c(-c2ccoc2)n[nH]c1C1CCC1 409440736 OPEDPBOKXSEVMV-UHFFFAOYSA-N 213.240 2.809 30 20 BFED C[C@@H](CCC#N)N1CCOc2c(F)cccc2C1 411683241 YWNAXYHDXIBTCQ-NSHDSACASA-N 248.301 2.712 30 20 BFED C=C(CC)CNC1(CO)C2CC3CC(C2)CC1C3 412003025 OBQDAYRRBSOEQZ-UHFFFAOYSA-N 249.398 2.729 30 20 BFED CC1(C)C[C@@H](CNc2ncccc2C#N)CCO1 413338805 PBXPLZZJAXJBKP-NSHDSACASA-N 245.326 2.570 30 20 BFED C=C(C)CN(CC)C(=O)N[C@@H]1C[C@H]1c1ccco1 413859186 YLIFGSLKUZRCFE-VXGBXAGGSA-N 248.326 2.743 30 20 BFED CC[C@H](C)CNC(=O)Nc1cccc(CC#N)c1 421165950 YHKGZAXUEUGSTQ-NSHDSACASA-N 245.326 2.920 30 20 BFED CCC[C@H](C#N)N(C)C(=O)[C@@H]1CC[C@@H]2C[C@H]2C1 421544367 QBHQLGYPOLJTPL-FVCCEPFGSA-N 234.343 2.573 30 20 BFED CC1(C)CCCN(C(=O)[C@]23CCC[C@H]2C3)[C@H]1C#N 421560831 PQJYHHWWCCTTRA-HUBLWGQQSA-N 246.354 2.717 30 20 BFED C=C[C@H](C)N[C@H]1CCN[C@@H](c2ccccc2)C1 422993664 TVKNAJJULJLJAD-AEGPPILISA-N 230.355 2.644 30 20 BFED CCO[C@@H]1C[C@@H](N[C@@H]2CC[C@H](C#N)C2)C12CCC2 424323910 JMFOHOWUHJJJEO-REWJHTLYSA-N 248.370 2.616 30 20 BFED C=CCN(C)CCN(CC)CCCCC 429721621 RMQQOTRZDYKGNE-UHFFFAOYSA-N 212.381 2.616 30 20 BFED C=C(C)CS(=O)(=O)N(CCCC)CCCC 435421758 LCSNZXBQFOPBMB-UHFFFAOYSA-N 247.404 2.795 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@H]1C[C@H]2CC[C@H]1C2 435745979 SBVBHEWWWSIBMF-RBZJEDDUSA-N 249.398 2.993 30 20 BFED CC(C)[C@@H]1CCCN(c2ccc(C#N)cn2)C1 443994596 FEBRHHCSCXVXHR-CYBMUJFWSA-N 229.327 2.826 30 20 BFED C=CCN1CC[C@@H](C(=O)OCC)c2ccccc21 444704093 LCQBDHXORJBXQC-CYBMUJFWSA-N 245.322 2.729 30 20 BFED C=CCC[C@H](CC)N[C@@H](C)CCCCO 449429040 TTZHOWFIYZKANZ-STQMWFEESA-N 213.365 2.872 30 20 BFED C=CCC1(C(=O)NCC(=O)CC)CCCCC1 450487228 CSBPYRCFWXOMCA-UHFFFAOYSA-N 237.343 2.608 30 20 BFED C[C@H](C1CCC1)N(C)CC1(C#N)CCC1 450644174 BFBKPPORJQPJFZ-LLVKDONJSA-N 206.333 2.801 30 20 BFED CCc1c(C(=O)NCCC#N)oc2ccccc12 451247626 XFROTCVQIROONG-UHFFFAOYSA-N 242.278 2.639 30 20 BFED C=CC[C@H](CC)NC(=O)COC(C)(C)CC 457782449 HXMQCRSQJHHTIF-NSHDSACASA-N 227.348 2.663 30 20 BFED C#C[C@@H](CCC)NC(=O)N1C[C@H]2CCC[C@@H](C2)C1 491739154 NJZRXSGGJPIDFS-IHRRRGAJSA-N 248.370 2.620 30 20 BFED C=CCCCCOc1cccnc1[N+](=O)[O-] 518692086 PZWLGARIRSUGQT-UHFFFAOYSA-N 222.244 2.725 30 20 BFED C=CCCCSCCOC[C@H]1CCCO1 525726066 WKNIOGVYTWYHCJ-GFCCVEGCSA-N 230.373 2.881 30 20 BFED CCC[C@H](CN[C@H]1CCC[C@@H](C#N)C1)OCC 527930879 MQQLDGBMIKAQTE-HZSPNIEDSA-N 238.375 2.864 30 20 BFED Cc1cc(C#N)ccc1OCc1cncc(F)c1 530473794 MDMNSMKTMAWDPO-UHFFFAOYSA-N 242.253 2.980 30 20 BFED CCC(CC)N(C(=O)c1c[nH]c(C#N)c1)C1CC1 537609577 LEVAJPOCYDTOPZ-UHFFFAOYSA-N 245.326 2.680 30 20 BFED C=CC[C@@H](CO)CN[C@@H](CCC(C)C)C1CC1 549623730 CVRIAPILWTWPQL-HIFRSBDPSA-N 239.403 2.975 30 20 BFED C=CCn1c(CC)nnc1N1C[C@H](C)C[C@H]1CC 558456129 ASLCBSOAULHCKA-VXGBXAGGSA-N 248.374 2.651 30 20 BFED Cc1ccc(C[C@@H](C)C(=O)NC(C)(C)C#N)cc1 558468380 GTWXXZFFUVLMBI-GFCCVEGCSA-N 244.338 2.592 30 20 BFED 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236.278 2.789 30 20 BFED C#CCN(CC#CC)Cc1ccc(C)c(F)c1 769452279 UYUOWMYUXPOBRI-UHFFFAOYSA-N 229.298 2.593 30 20 BFED C=C(CC)COC(=O)Cc1ccccc1OC 773433259 ZJIDNGAQEPPILQ-UHFFFAOYSA-N 234.295 2.747 30 20 BFED C=C(CC)COC(=O)CCCOc1cccnc1 773518752 CGWNLEILBBZQKI-UHFFFAOYSA-N 249.310 2.750 30 20 BFED C#CCCN1CCc2ccccc2C1(C)C 773759376 DTNRBAGRNSGPBU-UHFFFAOYSA-N 213.324 2.803 30 20 BFED CCOCCON=C(C)c1cc(C)oc1C 774433532 JWBFMCGHSXWRDC-UHFFFAOYSA-N 225.288 2.674 30 20 BFED CC(=NOC1CCOCC1)c1occc1C 774450338 DSJNQOKYJRNLTF-UHFFFAOYSA-N 223.272 2.508 30 20 BFED CCCCCCCOC(=O)c1ccncn1 778450545 YGHCAEKIPXMXPD-UHFFFAOYSA-N 222.288 2.604 30 20 BFED CCCNC(=S)NN=C1CCCC[C@H]1CC 779761503 QMPZRZRJEKYUSC-SNVBAGLBSA-N 241.404 2.817 30 20 BFED C#CCCCCCC(=O)N1C[C@@H]2[C@@H](C1)C2(C)C 779922941 NLHIBPFLWKKEQJ-CHWSQXEVSA-N 233.355 2.685 30 20 BFED CC(=NN[C@H]1CCCC1(C)C)[C@@H]1CCCO1 782298497 AQKXBWCJUZYECZ-RYUDHWBXSA-N 224.348 2.710 30 20 BFED C[C@@H]1CCCC[C@@H]1C=NNc1cccnn1 783847343 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30 20 BFED C#CCCCNC(=O)C[C@@H]1CCCC[C@@H]1C 742787924 AFLROZBGRQVOEE-STQMWFEESA-N 221.344 2.732 30 20 BFED CC#CCOC(=O)C[C@@H]1CCc2ccccc2C1 745004186 HVTQTWPXCNSTRJ-CYBMUJFWSA-N 242.318 2.748 30 20 BFED CC#CCOC(=O)[C@H](CC)Cc1ccccc1 745009682 WWOAYHXJHFQGLV-CQSZACIVSA-N 230.307 2.822 30 20 BFED CC(C)CN(CCC#N)CCCSCC#N 745943154 ZXQSRFWDLSGILT-UHFFFAOYSA-N 239.388 2.505 30 20 BFED N#Cc1c(F)cccc1NCc1cccc(F)n1 747844802 LWGQANHNJGXARM-UHFFFAOYSA-N 245.232 2.844 30 20 BFED CC(C)[C@](C)(C#N)NC(=O)C=C1CCCC1 749606671 SMRVWZXBUSXRKQ-ZDUSSCGKSA-N 220.316 2.541 30 20 BFED C#C[C@@H](CC)NC(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 753154750 MGCFDSHRQMYRRM-QNWHQSFQSA-N 236.359 2.522 30 20 BFED C#C[C@@H](CC)NC(=O)NCCCC(C)(C)C 753157294 YMYIBNHHFBNKCU-NSHDSACASA-N 224.348 2.524 30 20 BFED C#CCOCCN[C@H](c1ccccc1)C(C)C 753766510 GDEXJJDCSVNCJI-HNNXBMFYSA-N 231.339 2.623 30 20 BFED CCCC=NN=c1cc[nH]c2ccccc12 755698275 BWQORXMTJMRUIF-UHFFFAOYSA-N 213.284 2.855 30 20 BFED CCc1ccc(C=NOCC(F)F)cc1 758899808 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CCCCCCCCNc1cncc2ncnn12 782961043 FAJGDBFNNGCLRY-UHFFFAOYSA-N 247.346 2.897 30 20 BFED C=CCCO[C@H](C)C(=O)OCCC1CCC1 783447857 RKHYVBPXUVSZPI-LLVKDONJSA-N 226.316 2.701 30 20 BFED C#CCOc1cccc(OC(=O)OCC2CC2)c1 785035229 VIMHAMOBUGIMHC-UHFFFAOYSA-N 246.262 2.624 30 20 BFED Cc1csc(C=NNC2CCCCC2)n1 786042247 NNDMUHMIZOOCGG-UHFFFAOYSA-N 223.345 2.708 30 20 BFED CC[C@@H](C)NN=C(C)c1ccc(F)cc1 790183222 PXSGXURECPJSOE-SECBINFHSA-N 208.280 2.938 30 20 BFED CCc1ccc(C=NN[C@H](C)CC)cc1 790184034 XNXZZENPGAQXOL-LLVKDONJSA-N 204.317 2.971 30 20 BFED COc1cccc(/C=C\C(=O)c2cc(C)on2)c1 791432604 NNCZSMCLEOVTDB-SREVYHEPSA-N 243.262 2.888 30 20 BFED C=CCC1(C(=O)OCc2nccs2)CCC1 791559939 CYYMRLIXKDPVJY-UHFFFAOYSA-N 237.324 2.933 30 20 BFED CC(=NN[C@@H](C)C(C)(C)C)c1nccs1 793114302 KSAOFQCRCNGRKN-VIFPVBQESA-N 225.361 2.891 30 20 BFED CC1=CC(=NNCCC(F)(F)F)CC1 794552575 OTXHOGQGVXFTDD-UHFFFAOYSA-N 206.211 2.625 30 20 BFED Oc1ccc(F)cc1C=NNc1cccc(F)n1 795008881 RFMVQNSUIBLWFO-UHFFFAOYSA-N 249.220 2.511 30 20 BFED CC(C)[C@@H](C(=O)OCCCC#N)c1cccnc1 797903084 NMMBLSFIQXGOOC-CYBMUJFWSA-N 246.310 2.668 30 20 BFED C#C[C@H](NC(=O)NCCC1=CCCCC1)C(C)C 798555622 LXTWAJJDRCLRAM-AWEZNQCLSA-N 248.370 2.834 30 20 BFED CC#CC(=O)N[C@H](C)c1cc2ccccc2o1 801220877 SMUZRNZCGOVKOU-SNVBAGLBSA-N 227.263 2.633 30 20 BFED CCC[C@@](C)(CC)C(=O)OCCO[C@@H](C)C#N 801867490 QUFGXZLKVCZZLJ-WCQYABFASA-N 241.331 2.675 30 20 BFED C=C(C)CCOC(=O)c1ccc2c(c1)CCN2C 803450515 JPHSLQGBVYCLQG-UHFFFAOYSA-N 245.322 2.802 30 20 BFED COc1ccsc1/C=C\C(=O)c1cc(C)on1 806556395 SADWPJKGQGPROW-ARJAWSKDSA-N 249.291 2.949 30 20 BFED Cc1ccoc1C(=O)/C=C\c1cn(C(C)C)nn1 806573945 XIWGBILDRNFRFE-PLNGDYQASA-N 245.282 2.657 30 20 BFED C[C@H](COc1ccccc1)NN=Cc1ccco1 811666799 KHVCHFGBWYEJJV-GFCCVEGCSA-N 244.294 2.671 30 20 BFED CCCC(CC)=NOCCOC(C)C 812240204 KPNGWPSROPYXNX-UHFFFAOYSA-N 201.310 2.994 30 20 BFED C=C[C@@H](C)NCc1cc(Cl)c(F)cc1O 816556260 DSOLTHRZLZOIPC-SSDOTTSWSA-N 229.682 2.849 30 20 BFED CCCCCCCCN1CC[C@H](NC(C)=O)C1 817281298 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30 20 BFED C#CCCCNC(=O)NC[C@H]1CCC[C@H]1C1CC1 840310063 HEGYKFLNMYQGKJ-KGLIPLIRSA-N 248.370 2.525 30 20 BFED CC/C=C(\C)C(=O)N1CCc2cc(C#N)ccc21 841345366 WCAQBAQKQSOHIW-NYYWCZLTSA-N 240.306 2.804 30 20 BFED CC(=NNC1CCCC1)c1cccc2c1OCO2 841626671 IYLHNKVNQWINIO-UHFFFAOYSA-N 246.310 2.672 30 20 BFED C#CCC(C)(C)C(=O)OC[C@@H](CC(C)C)OC 842094752 VZPUHMHVPUEBAJ-GFCCVEGCSA-N 240.343 2.640 30 20 BFED C#C[C@H](NC(=O)C=C1CCC1)c1ccccc1 843642317 MQFRQQWKGHJWHL-AWEZNQCLSA-N 225.291 2.587 30 20 BFED CN(CCC(C)(C)C)C(=O)C#Cc1ccccc1 843683730 NJMBGIFRKBYJPQ-UHFFFAOYSA-N 243.350 2.933 30 20 BFED C=C(C)CONC(=O)NC1[C@H](C)CCC[C@H]1C 845601936 DQXRYMFFKCTHNE-GHMZBOCLSA-N 240.347 2.618 30 20 BFED C#CCN(C)Cc1ccc(C)cc1Cl 846871938 KSDUMNXYDVGGMF-UHFFFAOYSA-N 207.704 2.713 30 20 BFED C#CCON=Cc1ccc(OCCC)cc1C 853347990 WJOSOXYRTXQINL-UHFFFAOYSA-N 231.295 2.768 30 20 BFED COCC(=NNc1ccc(Cl)cn1)C(C)C 853437478 PAUTWGYHKHXAQU-UHFFFAOYSA-N 241.722 2.805 30 20 BFED C/C(=C\C(=O)N(C)[C@@H](C)C#N)c1cccs1 857623613 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30 20 BFED Cc1coc(C(=O)N[C@@](C)(C#N)CC(C)C)c1 889532931 AANGIWWYUFQSEJ-CYBMUJFWSA-N 234.299 2.646 30 20 BFED CCCCN(C)c1cc(C#N)sc1[N+](=O)[O-] 891407649 CUHOGSMXUNMQQB-UHFFFAOYSA-N 239.300 2.764 30 20 BFED C=CCC[C@H](C)NCCOC1CCSCC1 898440934 WEQYUEDOCCRYLA-LBPRGKRZSA-N 243.416 2.843 30 20 BFED C=C1CN(C(=O)[C@H](C)Cc2ccccc2Cl)C1 898699683 QHUANPBOKLNOBF-LLVKDONJSA-N 249.741 2.917 30 20 BFED C=C1CN(C(=O)[C@]2(c3ccccc3)CC2(C)C)C1 898705472 IKNIIBBHAYNYGV-MRXNPFEDSA-N 241.334 2.753 30 20 BFED C=C1CCC(C(=O)N2CC[C@@H]3C[C@@H]3C2)CC1 898976681 YIKIUQHFJFDEBN-CHWSQXEVSA-N 219.328 2.601 30 20 BFED CCCSCC(C)=NOC[C@@H]1CCOC1 901227233 JVMUOXXKJJJGSQ-LLVKDONJSA-N 231.361 2.559 30 20 BFED CC(C)CSCc1cc(C#N)ccn1 901380773 FBJFFNRCNYFSFY-UHFFFAOYSA-N 206.314 2.842 30 20 BFED C[C@@H]1CN(CCCCC2(C#N)CCC2)C[C@@H](C)N1 903716533 OJRWVGKXYVCZJJ-ZIAGYGMSSA-N 249.402 2.533 30 20 BFED COc1ccccc1C(=O)OCCCCC#N 912957543 FWYXIEPSTPSSQD-UHFFFAOYSA-N 233.267 2.546 30 20 BFED C=C[C@@H](CC)CC(=O)NCc1c(C)noc1C 930675624 TUXVTPUCTKMIFG-NSHDSACASA-N 236.315 2.510 30 20 BFED C#Cc1ccc(NC(=O)N2CCC[C@H]3C[C@H]32)cc1 934924079 ACCYUNVTHVMIHM-GXTWGEPZSA-N 240.306 2.684 30 20 BFED C=C[C@@H](CC)CC(=O)N1CCC(CC#N)CC1 935319517 YKHRXQQLRFBUSY-LBPRGKRZSA-N 234.343 2.741 30 20 BFED C=CC[C@@H](CC)NC(=S)NCC1CCC1 1116896408 NCYJPCNRXFIBAM-LLVKDONJSA-N 226.389 2.605 30 20 BFED C=CC[C@H](N[C@H](C)CCc1ccccc1)C(=O)O 1119536028 FGTWIIGVGBNUBQ-OCCSQVGLSA-N 247.338 2.627 30 20 BFED Cc1cc(C#N)ccc1Nc1c(C)nn(C)c1C 1120006955 CNVOCBLAGSVMTP-UHFFFAOYSA-N 240.310 2.961 30 20 BFED C=C(CC)C(=O)N1CCc2cc(OC)ccc21 1123630444 JKQDQBAUDLIQEU-UHFFFAOYSA-N 231.295 2.551 30 20 BFED CCCCCCCN[C@H](C)C[C@H](C)NC(C)=O 1133436773 KJCJGTXRPHUGEZ-OLZOCXBDSA-N 242.407 2.850 30 20 BFED CCN(CC#N)Cc1ccc(N2CCCC2)cc1 1253997249 MHJDNOPNMMXSPQ-UHFFFAOYSA-N 243.354 2.632 30 20 BFED CN(C)[C@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1 1318371458 OVMSLFOTOOGPMI-GJZGRUSLSA-N 243.354 2.843 30 20 BFED CCN(CC(C)C)C(=O)CC#Cc1ccccc1 1319312529 RYNWMGDWKGBKKE-UHFFFAOYSA-N 243.350 2.933 30 20 BFED CN(C)[C@@H]1CCCC[C@H]1/N=C/c1ccccc1O 1321693282 GBBAEPBFISIZDT-JKSCSLPYSA-N 246.354 2.684 30 20 BFED C#CC1CCN(c2nc3cccc(C)c3o2)CC1 1326015065 BKKVMHYERLADMF-UHFFFAOYSA-N 240.306 2.986 30 20 BFED C=C1CCC(C(=O)N[C@@H]2C=CCCC2)CC1 1331314742 JSYMTOLKECOXPC-CYBMUJFWSA-N 219.328 2.958 30 20 BFED C=C1CCC(C(=O)NC/C=C\CC)CC1 1331974278 HKQCESGBWBHSPJ-PLNGDYQASA-N 207.317 2.815 30 20 BFED CC1(C(=O)[C@H](C#N)c2cccc(F)n2)CCC1 1342559847 XDPGBDFRBNWTPZ-SECBINFHSA-N 232.258 2.587 30 20 BFED C=C[C@@H](CC)CC(=O)O[C@H]1CCSC1 1346536331 YKUPGRFCXTVPAT-UWVGGRQHSA-N 214.330 2.637 30 20 BFED C[C@H](CC#N)N(C)C(=O)c1cc2c(o1)CCCC2 1350037628 OMIOKXDLFNFUQF-SNVBAGLBSA-N 246.310 2.533 30 20 BFED CCN(C(=O)/C=C\c1ccccc1F)[C@@H](C)C#N 1353374095 UIEGNTFLTYKXMY-IQQGHNRFSA-N 246.285 2.599 30 20 BFED CS[C@@H](C)C(=O)O[C@@H](C)c1cccc(C#N)c1 1457756689 ZHQWPOSTMYTSLV-UWVGGRQHSA-N 249.335 2.914 30 20 BFED C=C[C@H](C(=O)NCC(C)(C)C#N)c1ccccc1 1528095030 RPOAGGAWNRKQRI-ZDUSSCGKSA-N 242.322 2.622 30 20 BFED Cc1ccoc1C(=O)/C=C/c1cc(C(=O)O)co1 1607899474 WJMHEAIKERPSDA-NSCUHMNNSA-N 246.218 2.775 30 20 BFED C=CCCSc1ncc(C(=O)O)s1 1609345901 MZECMQNEZTZUQU-UHFFFAOYSA-N 215.299 2.510 30 20 BFED C=CCCCCCN(C)[C@H](CC(=O)O)C(F)F 1776173451 HYLMUBBLUINUMG-SNVBAGLBSA-N 249.301 2.773 30 20 BFED C=CC[C@@H](NCC1CCCCCCC1)C(=O)O 1776185426 IIOOGICFYGQXAA-CYBMUJFWSA-N 239.359 2.966 30 20 BFED N#CCCNc1nc2ccccc2s1 3121919 MRWDUQYVWOLYBX-UHFFFAOYSA-N 203.270 2.622 30 20 BFED Cc1ncsc1CCOc1ccccc1C#N 20077466 HVUXPLFYMJPMMB-UHFFFAOYSA-N 244.319 2.945 30 20 BFED CCN(C[C@@H](C)C#N)c1cc(C(C)C)ncn1 42449949 CKVKPCXFOQOLDF-NSHDSACASA-N 232.331 2.586 30 20 BFED CCCN(CC#N)C(=O)c1ccccc1Cl 44372779 YDIOJDHWPMCLSJ-UHFFFAOYSA-N 236.702 2.716 30 20 BFED C[C@H](NC1CCC1)c1ccc(OCC#N)cc1 52208081 FRSOZVAEAANUKU-NSHDSACASA-N 230.311 2.792 30 20 BFED C=C(Cl)COC(=O)c1ccc(Cl)c(N)c1 57476042 CSFWSPKTISFBNE-UHFFFAOYSA-N 246.093 2.832 30 20 BFED N#CCCCOC(=O)c1nccc2ccccc12 64733606 RSHMMPORLYOGHQ-UHFFFAOYSA-N 240.262 2.695 30 20 BFED C=C(C)CN(CC)C(=O)NC[C@H]1CC=CCC1 69240425 DQISCHVNEJBCMY-ZDUSSCGKSA-N 236.359 2.950 30 20 BFED C[C@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 69572985 XFFSHOIDLCTPQN-JTQLQIEISA-N 245.282 2.703 30 20 BFED Cn1ccnc1CNc1ccc(C#N)cc1Cl 71274354 PWXOLIJUOAJZFK-UHFFFAOYSA-N 246.701 2.557 30 20 BFED C#CCSc1ncnc2sc(C)cc12 75321161 VSGPWWYUFBJCDB-UHFFFAOYSA-N 220.322 2.725 30 20 BFED CCc1ccc([C@@H](C)C(=O)NC(C)(C)C#N)cc1 75988403 YFXDJJNOKCOHRU-LLVKDONJSA-N 244.338 2.771 30 20 BFED C=CCN1CC[C@H](Cc2ccc(F)cc2)C1 76807080 CYUCBRRBZAXIHR-CYBMUJFWSA-N 219.303 2.876 30 20 BFED Cc1ccc(CC(=O)Nc2cccc(C#N)c2)o1 82338629 CYWGHMFYQVAZSE-UHFFFAOYSA-N 240.262 2.641 30 20 BFED C=C(C)CONC(=O)CCCc1ccccc1 89508438 PVOWQVXRLRXBFW-UHFFFAOYSA-N 233.311 2.633 30 20 BFED C=CCCOCCN[C@H](C)c1ccsc1 90884024 REUAAYHTXGNSCE-LLVKDONJSA-N 225.357 2.991 30 20 BFED C=CCN(CC(=O)O)Cc1cc2ccccc2o1 92469667 WQYLUBNXLQPENJ-UHFFFAOYSA-N 245.278 2.505 30 20 BFED Cc1cccc(C#N)c1SC(=O)N(C)C 95829645 FDERNKXTWIAHLD-UHFFFAOYSA-N 220.297 2.640 30 20 BFED CC[C@H](C#N)NC(=O)CCCC(C)(C)C 103433744 IKGDWFCTMVQHBT-SNVBAGLBSA-N 210.321 2.621 30 20 BFED C=CCNC(=O)c1cc(Cl)c2ccccc2n1 103927561 YCCRAROERXCNKM-UHFFFAOYSA-N 246.697 2.804 30 20 BFED C[C@H]1CCC[C@@H](C/N=C(/N)N2CCCCC2)C1 104179614 MAGXWCXMJGUUSG-QWHCGFSZSA-N 237.391 2.613 30 20 BFED CC#CCNC(=O)CC[C@H](C)c1ccccc1 120963401 YDFUZPSJXYPMOH-ZDUSSCGKSA-N 229.323 2.710 30 20 BFED C=CCN(C)[C@H](C)c1cc(C)c(C(=O)OC)o1 121270657 UNELPQCONNCSAQ-SNVBAGLBSA-N 237.299 2.553 30 20 BFED C=CC[C@@H](C)Nc1nc(CCC)ns1 122734587 UJJIKHYHXKFYMQ-MRVPVSSYSA-N 211.334 2.867 30 20 BFED C=CCCCN(C)Cc1nc2ccccc2[nH]1 128886453 WNYSTAKBHWJNFP-UHFFFAOYSA-N 229.327 2.961 30 20 BFED C#Cc1cccc(N(C)C(=O)[C@@H](CC)SC)c1 129644868 FAAACPMADUZRTH-CYBMUJFWSA-N 247.363 2.772 30 20 BFED C=C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 130653863 WOXIKQUGCSLMCV-SECBINFHSA-N 206.245 2.890 30 20 BFED CC(C)(C)N/C(N)=N/CC(C)(C)C1CCCC1 133881362 VUIXZIGKRHJLPO-UHFFFAOYSA-N 239.407 2.906 30 20 BFED C#C[C@@H](OC(=O)C(C)(C)C)c1ccccc1 140509431 QJVNSOIMAINTGR-GFCCVEGCSA-N 216.280 2.950 30 20 BFED C#Cc1ccc(C(OCC)OCC)cc1 142565054 XGLBDRWPMCYXFE-UHFFFAOYSA-N 204.269 2.740 30 20 BFED C#Cc1cccc(NCc2ccnn2CCC)c1 159952406 XMDVWWHFTMGIHZ-UHFFFAOYSA-N 239.322 2.887 30 20 BFED C#CCCCCNC(=O)N[C@@H]1CCC[C@@H](C)C1 160919014 DLOSFMJOKLBLFO-CHWSQXEVSA-N 236.359 2.668 30 20 BFED CS[C@H]1CC[C@H](Nc2nc(C)ccc2C#N)C1 161598377 IRZXNXSNFMJRNZ-RYUDHWBXSA-N 247.367 2.958 30 20 BFED Cc1cc(C(=O)NC2(C#N)CCC2)cc(C)c1F 162036197 PONYXNYWZHBDDP-UHFFFAOYSA-N 246.285 2.619 30 20 BFED Cc1cc(C(=O)Nc2ccc(C#N)cc2)ccn1 170234200 JJQYCUPQCQKTOU-UHFFFAOYSA-N 237.262 2.514 30 20 BFED C#CCCCNC(=O)NCCC1=CCCCC1 173983219 BYWSYQXMKLQOHK-UHFFFAOYSA-N 234.343 2.590 30 20 BFED C=CCOCCCC(=O)NCC1(CC)CCC1 175683889 QPRBUXYDXMXCCB-UHFFFAOYSA-N 239.359 2.666 30 20 BFED CCO[C@H](C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 175785579 BCGANNORHWMZHW-WDEREUQCSA-N 247.294 2.587 30 20 BFED CC(C)CCN(CCC#N)C(=O)[C@H]1C[C@@H]1C1CC1 175992966 GYDVMPYTFJJZFP-KGLIPLIRSA-N 248.370 2.821 30 20 BFED CC[C@H](C#N)OC(=O)c1cc(C)c(F)cc1F 176015925 VLYQPONOLBMXTG-MRVPVSSYSA-N 239.221 2.732 30 20 BFED CC(C)CCC[C@@H](C)NC(=O)NC[C@@H](C)C#N 182311476 AKMOROBKSBEGIN-NWDGAFQWSA-N 239.363 2.660 30 20 BFED C#C[C@H](C)NC(=O)N(CC)Cc1ccccc1C 186037196 TUQMKZYBHHSBCA-ZDUSSCGKSA-N 244.338 2.548 30 20 BFED C=C(C)COC(=O)c1c[nH]nc1-c1ccsc1 187136144 HPWLJOIWYHHECD-UHFFFAOYSA-N 248.307 2.871 30 20 BFED C[C@H](c1cccc(C#N)c1)N1CCOC(C)(C)C1 189228531 HXNDCLISMFYGFN-GFCCVEGCSA-N 244.338 2.730 30 20 BFED C#CCN(C)C(=O)[C@@H](CC)CC1CCCC1 191098836 WXBWMNXJZRYVEL-ZDUSSCGKSA-N 221.344 2.685 30 20 BFED C=CCN(CCOC)C(=O)C(C)(C)CC(C)C 191972868 KJHSQLUODFOGDK-UHFFFAOYSA-N 241.375 2.720 30 20 BFED C#CCCCC(=O)Nc1cc(F)ccc1F 192044751 CFXLPQIDMKFYPH-UHFFFAOYSA-N 223.222 2.707 30 20 BFED CCCCCCCOc1ccc(C)[n+]([O-])c1 194676906 UODHPURZOZGDQI-UHFFFAOYSA-N 223.316 2.978 30 20 BFED COC(=O)[C@]1(C(C)C)O[C@@]12CCC[C@@H](C)C2 220852771 IPVRIONGKHXBJM-RTXFEEFZSA-N 226.316 2.533 30 20 BFED N#Cc1ccc(OCc2cscn2)c(F)c1 225240088 OGAVEDYSZJJNFE-UHFFFAOYSA-N 234.255 2.733 30 20 BFED CCC[C@](C)(O)CNc1ccc(C#N)cc1 226233586 FDCCKNHGZABNAD-ZDUSSCGKSA-N 218.300 2.521 30 20 BFED CC#CCCNc1c(F)cc([N+](=O)[O-])cc1F 226739754 SKXCNBGVZQMVNR-UHFFFAOYSA-N 240.209 2.698 30 20 BFED CC1(C)CCC[C@@H]1C(=O)Nc1ccc(C#N)cn1 230002758 TUZYKMVGKOKNIP-LLVKDONJSA-N 243.310 2.718 30 20 BFED C=CCCCNCc1cccc([N+](=O)[O-])c1C 231885665 OOKDZTURQHSIBF-UHFFFAOYSA-N 234.299 2.959 30 20 BFED C#Cc1cccc(N(CC)C(=O)/C(C)=C\C)c1 255512415 GNOOPCSQQWJKLK-XGICHPGQSA-N 227.307 2.987 30 20 BFED N#CC1(CNCc2ccc(F)c(F)c2)CCC1 258898650 KVAMWMSYULIZSA-UHFFFAOYSA-N 236.265 2.748 30 20 BFED C[C@H](C#N)CN(C)[C@H](C)c1ccc(F)cc1 260171689 UGSUMKFSYUJKHM-GHMZBOCLSA-N 220.291 2.978 30 20 BFED CCc1ccc(C/N=C(\N)N[C@@H](C)CC)s1 261765609 LVUSHUQKKCCZCD-VIFPVBQESA-N 239.388 2.513 30 20 BFED C=C1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 264447234 DBUJBXOXKZAUJP-UHFFFAOYSA-N 240.306 2.960 30 20 BFED C=C(C)CN(CC)C(=O)CCCCSC 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CC(=O)c1ccccc1NC(=O)CCCC#N 291170825 NEFQEYIIACYNPI-UHFFFAOYSA-N 230.267 2.522 30 20 BFED CCN(C(=O)Nc1ccc(C#N)cc1)C(C)C 298721037 KVLQMAIAHKSFQQ-UHFFFAOYSA-N 231.299 2.820 30 20 BFED C=CCOc1cccc(NC(=O)[C@@H](CC)OC)c1 299375141 UMSWNESCSYPPEE-CYBMUJFWSA-N 249.310 2.615 30 20 BFED CC(C)C[C@H]1CCCCN1c1ccc(C#N)nn1 301954119 KDZXJXZGCYFHOI-CYBMUJFWSA-N 244.342 2.753 30 20 BFED C=CCSCCC(=O)Nc1cccc(C#N)c1 305115799 PUKJPAHXHWVBHF-UHFFFAOYSA-N 246.335 2.806 30 20 BFED C#CCNc1c(F)ccc(C)c1Br 306184097 OWJPYZBJRXHVMQ-UHFFFAOYSA-N 242.091 2.942 30 20 BFED Cc1csc(CNc2cc(C#N)nc(C)n2)c1 308392146 BOKSUIZUNZJDIN-UHFFFAOYSA-N 244.323 2.639 30 20 BFED C=CCCOC(=O)c1cc(C)cc(Cl)c1N 309294283 RBVIUYYMDLXYSP-UHFFFAOYSA-N 239.702 2.964 30 20 BFED C=CCCCOC(=O)c1csc(NCC)n1 309954802 HTXWLPYWYSCQEI-UHFFFAOYSA-N 240.328 2.698 30 20 BFED C=CCCCNC(CC)(CC)CC(=O)OC 310032346 RLCXXOQXGXLKQU-UHFFFAOYSA-N 227.348 2.664 30 20 BFED CCC(C#N)(CC)C(=O)NCc1occc1C 310149527 ORLOPOYJYGBENZ-UHFFFAOYSA-N 234.299 2.534 30 20 BFED N#CCc1cccc(NCC[C@@H]2CCCO2)c1 313420426 CNHYRAFFGANGJR-AWEZNQCLSA-N 230.311 2.734 30 20 BFED Cc1nnccc1N=C(O)[C@@H]1CCCCS1 329467602 WITFGEMHDISEOC-JTQLQIEISA-N 237.328 2.659 30 20 BFED C[C@@H]1CCC[C@H](/N=C(/O)Cc2cncnc2)C1 329861162 XTAJOAPGJBDJDO-PWSUYJOCSA-N 233.315 2.554 30 20 BFED Cc1cccnc1CN/C(O)=N/CCC(C)(C)C 330631188 FHAGLPUGKZHXRV-UHFFFAOYSA-N 249.358 2.830 30 20 BFED CC(=O)c1ccc(/C(O)=N/[C@@H](C)C(C)C)cc1O 331229234 GEFLCZHFVSBOAZ-VIFPVBQESA-N 249.310 2.944 30 20 BFED N#Cc1c(N[C@@H]2CC[C@H](F)C2)nc2ccccn12 334514739 IVCYZUBCLQYVDH-VHSXEESVSA-N 244.273 2.508 30 20 BFED C=CCC(C)(C)C(=O)N1CCS[C@@H](C)[C@H]1C 334520108 WTSNFNKUZJIRCF-MNOVXSKESA-N 241.400 2.941 30 20 BFED C[C@H](C#N)Sc1ccc(C#N)cc1F 334535181 JQGDKKUXQQWXJR-SSDOTTSWSA-N 206.245 2.702 30 20 BFED CC[C@H]1C[C@H](C)CN1c1ncc(C#N)cc1F 334605226 ZVQDXYMIOSHMFY-ONGXEEELSA-N 233.290 2.717 30 20 BFED C=CCCN1CCC[C@@]2(CCSC2)C1 334656231 ONFMZESINWJZTB-GFCCVEGCSA-N 211.374 2.782 30 20 BFED CC(C)[C@@H]1CCN1c1ncc(C#N)cc1Cl 334666289 IWSSAISLJCONKQ-NSHDSACASA-N 235.718 2.841 30 20 BFED CC1(C)[C@H](c2ccccc2)CCN1C(=O)CC#N 335024779 DZJOKTMUGRYFSV-ZDUSSCGKSA-N 242.322 2.695 30 20 BFED CC1=CC[C@H](NCC2(C#N)CCC2)CC1 335161571 YFSIUUJMFIHKJV-LBPRGKRZSA-N 204.317 2.769 30 20 BFED C[C@H](CC#N)N=c1[nH]c2cccc(F)c2s1 335235361 PLSLSOYJZIWKFU-SSDOTTSWSA-N 235.287 2.571 30 20 BFED N#CC1(CNC(=O)C2=CCCCCC2)CCC1 335259941 YOVZWZLCXVPENN-UHFFFAOYSA-N 232.327 2.687 30 20 BFED COc1cc(C#N)ccc1CN1CC[C@@](C)(F)C1 335326542 BDQQILKMMKWTSL-CQSZACIVSA-N 248.301 2.501 30 20 BFED C=C(CC)CNC(=O)N1Cc2cccc(F)c2C1 335576061 CVBGSNBMYJBWCC-UHFFFAOYSA-N 248.301 2.817 30 20 BFED N#CC1(CN2CCC[C@H]3CCCC[C@H]32)CC1 335849724 RIONRKFOIAXIIY-CHWSQXEVSA-N 218.344 2.945 30 20 BFED C=C1CCN(C(=O)[C@H]2CCCC(F)(F)C2)CC1 335909062 DQOFUHFWPCTLAU-NSHDSACASA-N 243.297 2.991 30 20 BFED C[C@@H]1CCCN(C(=O)c2cscc2C#N)CC1 335931931 BZRXGYLAZHVLKY-SNVBAGLBSA-N 248.351 2.882 30 20 BFED C=C1CCN(C(=O)CC2CCCC2)CC1 336137142 MFGQABDMTKKATB-UHFFFAOYSA-N 207.317 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CCC[C@H](C#N)NC(=O)[C@@H](F)c1ccccc1 769433087 BMBXVSHQWPZNAJ-NEPJUHHUSA-N 234.274 2.506 30 20 BFED C=C(CC)COC(=O)c1cc(F)ccc1OC 773453048 LHJSFVCSNJGXMK-UHFFFAOYSA-N 238.258 2.957 30 20 BFED C#C[C@@H](C)N(C)Cc1cc(C)ccc1F 775184686 XNDIPPYZTGJACO-LLVKDONJSA-N 205.276 2.588 30 20 BFED CCC[C@@H](C(=O)OCC1(C#N)CC1)C(C)C 775877701 NEUBRVKYOOICPX-LLVKDONJSA-N 223.316 2.906 30 20 BFED COc1cccc(NN=C(C)c2ccoc2)n1 779816723 JLHZSOBOOJSDEA-UHFFFAOYSA-N 231.255 2.519 30 20 BFED CC[C@H](C)CON=C1CCC[C@@H](OC)C1 793159641 QCHUGWSHCMVYOI-CMPLNLGQSA-N 213.321 2.994 30 20 BFED Cc1cc(C)c(C=NNc2cncnc2)c(C)c1 794978884 PAEXCSSEFAGASI-UHFFFAOYSA-N 240.310 2.848 30 20 BFED CC#CCOC(=O)[C@H](F)CC1CCCCC1 796206929 COOVSBBANNNGRG-GFCCVEGCSA-N 226.291 2.861 30 20 BFED COc1ccccc1CON=C[C@H]1C[C@@H]1C 799117130 FRMAQXXBWUSQBG-CMPLNLGQSA-N 219.284 2.854 30 20 BFED COc1ccccc1CON=CC(C)C 799118445 GTQAQXIZFKFTTC-UHFFFAOYSA-N 207.273 2.854 30 20 BFED N#Cc1ccc(CCC(=O)OC/C=C/Cl)cc1 807631171 GOJUDGWOPOHQSS-UNXLUWIOSA-N 249.697 2.787 30 20 BFED CC(=NNC[C@H]1CCSC1)C1CCCC1 811659256 PRPJDNSYENDVBY-LLVKDONJSA-N 226.389 2.895 30 20 BFED CCO[C@@H]1CC(=NOC/C=C\Cl)[C@H]1SC 811669609 GTDOQFCEWBODLD-AVMUQQSJSA-N 249.763 2.652 30 20 BFED CCc1nn(C)c(Cl)c1C=NOC1CCC1 812236286 JIZNGWBNUQZDGD-UHFFFAOYSA-N 241.722 2.539 30 20 BFED Cc1ccc(NN=C2CC(OC(C)C)C2)nc1 814831518 FOGCMHRMCZKBJR-UHFFFAOYSA-N 233.315 2.745 30 20 BFED Cc1cc(Cl)cc(C=NNC[C@@H](C)C#N)c1 814880536 AFIJZGWRWLRVLM-JTQLQIEISA-N 235.718 2.732 30 20 BFED C#C[C@H](N[C@@H]1C=CCCCCC1)[C@@H]1CCCO1 815093764 RXEMLVBVDHRPBU-ILXRZTDVSA-N 233.355 2.646 30 20 BFED C=CCC[C@H](C)OC(=O)[C@@]1(C)CC1(F)F 817253057 ZCRZOMPUFJKEOT-WCBMZHEXSA-N 218.243 2.930 30 20 BFED C=CC[C@@H](C)[C@@H](C)NCc1ccc(CCN)cc1 817948770 LJQICCLOVFOOCL-ZIAGYGMSSA-N 246.398 2.878 30 20 BFED C#CCCCSCc1nc(C(F)F)no1 818154462 KMUWGFZLEMIQBA-UHFFFAOYSA-N 232.255 2.654 30 20 BFED N#C[C@H]1CC[C@@H](NC(=O)C(F)=C2CCCC2)C1 819633297 FIHKIULYLLBCNA-GXSJLCMTSA-N 236.290 2.592 30 20 BFED C=C(C)C(C)(C)C(=O)OCCOCC1CC1 821448108 NXAQAYMHRHULBW-UHFFFAOYSA-N 226.316 2.559 30 20 BFED C[C@@]1(COC(=O)c2ccc(C#N)s2)C[C@H]1F 822118183 DRBFXPNCQDVNIA-KOLCDFICSA-N 239.271 2.525 30 20 BFED C=C(Cl)CNCc1ccc(C)cc1OC 824098802 PDHUFFYJGJAKNB-UHFFFAOYSA-N 225.719 2.846 30 20 BFED C[C@@H](C#N)Oc1ccc(CN2CC[C@H](F)C2)cc1 824572488 XWIPPMRTUWFNCW-AAEUAGOBSA-N 248.301 2.521 30 20 BFED C#CCCCOC(=O)/C=C/C1CCCC1 830789029 UWXKZCLZVCLWMA-MDZDMXLPSA-N 206.285 2.689 30 20 BFED C=CCCOC(=O)c1cccc(SC)n1 830976596 QAHZIAPQVQXBRA-UHFFFAOYSA-N 223.297 2.536 30 20 BFED C=C(CC)COC(=O)c1cccc(C(=O)O)c1 833371097 WFVXPRZREQJTJA-UHFFFAOYSA-N 234.251 2.508 30 20 BFED CO[C@@H]1CC(=NNc2cc(C)ccn2)C12CCC2 834964541 NNWGWEWFBHPSQM-GFCCVEGCSA-N 245.326 2.747 30 20 BFED CCC(=NNCC1CCCC1)c1ccncc1 834979708 LMGNNVVEXVHEAJ-UHFFFAOYSA-N 231.343 2.976 30 20 BFED CC(=NOC(C)C)c1nc2ccccc2n1C 835004297 LLLMVJDIZFMTRK-UHFFFAOYSA-N 231.299 2.722 30 20 BFED Cc1ccc(C=NN[C@H]2CCOC2(C)C)cc1C 835013568 DNCUCHDAWFQNOP-AWEZNQCLSA-N 246.354 2.794 30 20 BFED C=CC(C)(C)C(=O)OC[C@H]1CCCS1 835193184 DAYBODJBUGTASM-SECBINFHSA-N 214.330 2.637 30 20 BFED C[C@H](OC(=O)C[C@@H]1CC[C@H]2C[C@@H]12)C(C)(C)C#N 835244783 JXLJFLOCNAEQBT-FIQHERPVSA-N 235.327 2.904 30 20 BFED C#CCCCCC(=O)OC[C@H](CCC)OC 835541337 NYKPCVHAAZAWBI-LBPRGKRZSA-N 226.316 2.538 30 20 BFED C=CC(C)(C)COC(=O)/C=C\C1CCOCC1 835724858 PEYPUTMNQLDBMO-WAYWQWQTSA-N 238.327 2.725 30 20 BFED CC[C@H](CNC(=O)C#CC1CC1)c1ccccc1 837320580 UTRXJZVUTJEXHN-CQSZACIVSA-N 241.334 2.710 30 20 BFED CC[C@H](C#N)OC(=O)c1scnc1C(C)C 838055169 QSIHEQFTWFWDGH-MRVPVSSYSA-N 238.312 2.725 30 20 BFED CC(C)(C)C#CC(=O)OCCc1cccs1 838371296 JTPLMUTWVKKMPV-UHFFFAOYSA-N 236.336 2.883 30 20 BFED C#CCC[C@H](C)OC(=O)Cc1ccc(OC)cc1 839032543 PIWLTLNEQHEIHT-LBPRGKRZSA-N 246.306 2.583 30 20 BFED C=CCCCC(=O)OCC[C@H]1CCCCN1C 840251996 SWERNGJENCTBFB-CYBMUJFWSA-N 239.359 2.760 30 20 BFED C[C@H]1CC(C)(C)CN1C(=O)C#CC(C)(C)C 840531829 RNEHVFKWVPCUKX-NSHDSACASA-N 221.344 2.683 30 20 BFED CC1(C)CCC[C@H](C=NN2CCC[C@@H]2CO)C1 841658719 AVAZFXCTSFYTNC-QWHCGFSZSA-N 238.375 2.645 30 20 BFED CC(C)[C@@H]1CCCCC1=NN(C)[C@H](C)CO 842541577 KDPWVWVCEYTTDB-NEPJUHHUSA-N 226.364 2.501 30 20 BFED CCCON=C(C)c1ccc([S@](C)=O)cc1 842558489 XTERDXDAZSINJL-INIZCTEOSA-N 239.340 2.575 30 20 BFED C=C[C@@H](C)ON=C(C)c1cc(C)c(O)c(O)c1 844620789 PQHWFRVOCNYFOX-SECBINFHSA-N 235.283 2.721 30 20 BFED C=C(C)CONC(=O)NCC1(CC(C)C)CC1 845601269 PQOKTTCDVMHRCJ-UHFFFAOYSA-N 240.347 2.620 30 20 BFED C=C(C)CONC(=O)C[C@H](C)CC(C)C 846539356 VCFJFIFEKUQOSW-LLVKDONJSA-N 213.321 2.683 30 20 BFED C=C[C@H](C)ONC(=O)[C@H](CC)CC(F)(F)F 846553994 GLYJOJFAWGZUTA-JGVFFNPUSA-N 239.237 2.587 30 20 BFED C=CC(C)(C)C(=O)OC/C=C/C(F)(F)F 851291287 PVKPTZYJCZMZGO-AATRIKPKSA-N 222.206 2.860 30 20 BFED C=C[C@H](OC(=O)[C@@H]1C[C@H]1OCC)c1ccccc1 851453618 RTTZCEDWOKNUPE-HZSPNIEDSA-N 246.306 2.882 30 20 BFED C#C[C@@](C)(CC)N[C@@H](C)c1ccccn1 852101218 NMKFGVSAVXSSFN-AAEUAGOBSA-N 202.301 2.534 30 20 BFED N#CC1CCN(C(=O)NCCCC2CCC2)CC1 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CCC(=NNC1CC1)c1cccc(OC)c1OC 872365411 PPNGHPCZNXOSIO-UHFFFAOYSA-N 248.326 2.570 30 20 BFED C#C[C@H](CC)N[C@H](C)[C@H](OC)c1ccccc1 877513498 XCTXFGOVJKDSTF-YUELXQCFSA-N 231.339 2.764 30 20 BFED Cc1cccc(O)c1CNCC(C)(C)CC#N 877583938 MWLMGLHQRWRONV-UHFFFAOYSA-N 232.327 2.730 30 20 BFED C=CC(C)(C)CC(=O)N1CC[C@H](C2CC2)C1 879344844 ZYCOKFYMYDFVCE-LBPRGKRZSA-N 221.344 2.847 30 20 BFED C=CC(C)(C)CC(=O)NCCC(O)(CC)CC 879704989 JYJQXQQOEVFUSV-UHFFFAOYSA-N 241.375 2.646 30 20 BFED CC[C@H](C)NN=C(C)c1c(O)cccc1F 884454707 UVUGNBCOGKEMFV-QMMMGPOBSA-N 224.279 2.643 30 20 BFED CCC#CCOC(=O)C[C@H](C)c1ccco1 893842921 BCOLUMLXFFPLRJ-NSHDSACASA-N 220.268 2.730 30 20 BFED CC(C)(CCC#N)CN1CCn2cccc2C1 896761582 SQCAUPIHWVJIIO-UHFFFAOYSA-N 231.343 2.634 30 20 BFED Cc1cc(C=NOCC2CCC2)cnc1F 901266049 JNSRPSJBIXULTF-UHFFFAOYSA-N 222.263 2.680 30 20 BFED COC[C@H](SCC#N)c1ccccc1 901657109 PVWAYVACMAYXKJ-NSHDSACASA-N 207.298 2.631 30 20 BFED C=CCC[C@H](N[C@H](C)C1CCCC1)C(=O)O 901690117 KLSUZLCUJNGFGV-PWSUYJOCSA-N 225.332 2.574 30 20 BFED C=C(C)COCCNCc1ccccc1NCC 902321383 VIJLXPDHWHWUPK-UHFFFAOYSA-N 248.370 2.801 30 20 BFED Cc1cc(C)nc(COC(=O)C#CC(C)(C)C)c1 909382760 IVMJIDIEJRJAKL-UHFFFAOYSA-N 245.322 2.791 30 20 BFED CCCC(=NN1CCOCC1)c1ccccc1 916581890 YDXFFMRHLYVBGF-UHFFFAOYSA-N 232.327 2.523 30 20 BFED C#CCN(CCc1ccccc1)CC(C)C 921061461 VTFQPHDRCRCORZ-UHFFFAOYSA-N 215.340 2.820 30 20 BFED C=C(CN[C@H](C)c1nonc1C)c1ccccc1 924842135 QCTPGEXABFIZFL-LLVKDONJSA-N 243.310 2.742 30 20 BFED C=C[C@@H](C)NC1CCN(CCC(C)C)CC1 925254818 AXJJLJHLRGBTJJ-CYBMUJFWSA-N 224.392 2.661 30 20 BFED N#C[C@H]1CCCN(CC[C@@H]2CC2(Cl)Cl)C1 932154779 MWYWTYDKFZCGNP-NXEZZACHSA-N 247.169 2.806 30 20 BFED C#Cc1ccc(NC(=O)N[C@H](C)C2CC2)cc1 934931398 VZDYVNYIQGDOOL-SNVBAGLBSA-N 228.295 2.588 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1cnc(C)s1 935047471 ARBCKUNKQCCAPR-VIFPVBQESA-N 224.329 2.992 30 20 BFED C=C[C@H](CC)CC(=O)Nc1ccc(OC)cc1O 935565060 CPGVWDRTKFYYHP-SNVBAGLBSA-N 249.310 2.942 30 20 BFED C=C[C@H](CC)CC(=O)NC(CC)(CC)CCO 935850082 CRALXIOLBILOFC-GFCCVEGCSA-N 241.375 2.646 30 20 BFED N#Cc1cccc(C#N)c1Nc1cccc(CO)c1 1116797113 BIYDOXRYBVXPBW-UHFFFAOYSA-N 249.273 2.666 30 20 BFED C=C(C)CCC(=O)Nc1ccc(C(C)=O)cn1 1262785526 UMEIJVGNUKPZQB-UHFFFAOYSA-N 232.283 2.579 30 20 BFED C=C[C@@H]1CCCCN1Cc1cnc(CC)o1 1334224669 HMEQBHGUYKKCKC-LLVKDONJSA-N 220.316 2.778 30 20 BFED C#CCN(Cc1cccc(OCC)c1O)C(C)C 1334333920 WSAHEHQXMTZWBM-UHFFFAOYSA-N 247.338 2.635 30 20 BFED C=C[C@H](CC)CC(=O)OCCOCC1CC1 1334897847 FHPQKVWLSLLXGB-LLVKDONJSA-N 226.316 2.559 30 20 BFED C=CCN(CC=C)C(=O)c1ccnn1[C@@H](C)CC 1337975974 LHZLUDGRRNNSDP-LBPRGKRZSA-N 247.342 2.668 30 20 BFED CC[C@H](F)C(=O)N(CCC#N)CC(C)(C)C 1338268459 UWDFHTYOLHYTOM-JTQLQIEISA-N 228.311 2.523 30 20 BFED CCCCN(O)C(=O)c1ccc2cnccc2c1 1339281833 WILJAFNOGCCNMV-UHFFFAOYSA-N 244.294 2.866 30 20 BFED C=C(CC(C)C)C(=O)N[C@@H](C)c1cnn(C)c1C 1346274048 USOZOUNLACZFJY-NSHDSACASA-N 249.358 2.508 30 20 BFED C=C(C)[C@@H](C)OC(=O)[C@@H]1CCOC2(CCC2)C1 1347260154 JUYZDXNTMAVPAD-VXGBXAGGSA-N 238.327 2.844 30 20 BFED CCN(C(=O)/C=C/c1ccccc1F)[C@H](C)C#N 1353374092 UIEGNTFLTYKXMY-ANYFNZRUSA-N 246.285 2.599 30 20 BFED Cc1ccnc(NC(=O)c2csc(C#N)c2)c1 1355720584 ICGNOKFMESXXIM-UHFFFAOYSA-N 243.291 2.576 30 20 BFED CN(C(=O)c1ccsc1C#N)c1ccsc1 1437303726 PUNLSXXPYGRVAI-UHFFFAOYSA-N 248.332 2.958 30 20 BFED C=C[C@@H](OC(=O)[C@@H](F)CC)C(C)(C)C 1518549504 GIHSVHBIMDXLRS-DTWKUNHWSA-N 202.269 2.878 30 20 BFED Cc1ccnc(CNc2cc(C)c(C#N)cn2)c1 1655509574 QRUPYLMPHJRBQO-UHFFFAOYSA-N 238.294 2.577 30 20 BFED C=CCC[C@@H](C)N1CC[C@](CC=C)(C(=O)O)C1 1776166383 WILAXBSPDJWKSE-OCCSQVGLSA-N 237.343 2.694 30 20 BFED CN(c1cc(C#N)ccn1)C1CCCCC1 19509557 OEDAXXDZVDDHJF-UHFFFAOYSA-N 215.300 2.722 30 20 BFED C#CCNc1ccc(F)c(C(F)(F)F)c1 34515692 YKLGLYYKPQUYGE-UHFFFAOYSA-N 217.165 2.890 30 20 BFED CCCN(C[C@@H](O)c1ccc(C#N)cc1)C(C)C 34674544 XPCYNRCBNGFJLX-OAHLLOKOSA-N 246.354 2.712 30 20 BFED N#Cc1ccc(NC[C@@H]2CCCCO2)cc1 35151490 BZLSJYXZKJXKHX-ZDUSSCGKSA-N 216.284 2.539 30 20 BFED CCC[C@H](C)N(C)C(=O)c1cccc(C#N)c1 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30 20 BFED Cc1sccc1C(=O)O[C@@H](C#N)C1CC1 835193918 HYPVBENZNHOYPC-JTQLQIEISA-N 221.281 2.516 30 20 BFED C[C@@H]1CC[C@@H](C(=O)OCCCC#N)C[C@H]1C 835265335 PIYISLXAHXBLOU-IJLUTSLNSA-N 223.316 2.906 30 20 BFED C=CC(C)(C)C(=O)OCC1(SC)CC1 835396852 GOKMYZOQBYTTDI-UHFFFAOYSA-N 214.330 2.637 30 20 BFED C=CCOCC(=O)O[C@@H](CC)[C@H](C)CC 835589415 NHLMNYCLIJXCJI-MNOVXSKESA-N 214.305 2.557 30 20 BFED C=C(C)[C@@H](CC(=O)OC[C@@H](C)SC)OCC 835686103 UJGYLDDGFWFWIY-GHMZBOCLSA-N 246.372 2.652 30 20 BFED C=CC(C)(C)COC(=O)[C@@H](CC)N(CC)CC 835722905 JOFYKBGVWAIZNL-GFCCVEGCSA-N 241.375 2.862 30 20 BFED O=C(C#CC1CC1)Nc1cccc2c1CCCC2 837327396 SHSYCLBPRKUEJO-UHFFFAOYSA-N 239.318 2.917 30 20 BFED C[C@H](c1cccnc1)N(C)C(=O)C#CC(C)(C)C 837373668 XPZAKIVDHVDXCB-GFCCVEGCSA-N 244.338 2.651 30 20 BFED CCOc1ccc(O)c(/C=N\CC(C)(F)F)c1 840707581 WUBCSHYRSAANMN-CHHVJCJISA-N 243.253 2.865 30 20 BFED Cc1cccc2c1C(=NNCCOC(C)C)CC2 841634432 SVZPKDJVILHDRF-UHFFFAOYSA-N 246.354 2.660 30 20 BFED CNC(=S)N(C)N=C1C=C(C)CC(C)(C)C1 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30 20 BFED CCCCN(O)C(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21 904215588 FWOKDCXODNPFEM-BFHYXJOUSA-N 245.322 2.590 30 20 BFED C=CCCC(=O)[C@H]1CCCN1C(=O)/C=C/C=C/C 908639101 OEKLPDDGXIQGJG-BMVJJORQSA-N 247.338 2.645 30 20 BFED C(=NNc1ncnc2sccc12)c1ccco1 916368417 OMTPHWRRTPHZHR-UHFFFAOYSA-N 244.279 2.730 30 20 BFED CCC/C=C\C(=O)OCc1ccc(C#N)cc1 919243174 OEWWCBSFPBZEJX-PLNGDYQASA-N 229.279 2.958 30 20 BFED C=C[C@H](CC)CC(=O)NCC(C)(C)C[C@H](C)O 933845414 DIDHPHYNVYUTMG-NWDGAFQWSA-N 241.375 2.502 30 20 BFED CC[C@@H](F)C(=O)O[C@H](C)c1ccc(C#N)cc1 1121074628 OXWFPWYPXSBEPF-BXKDBHETSA-N 235.258 2.911 30 20 BFED C[C@H](C#N)N(C(=O)CC(C1CC1)C1CC1)C1CC1 1261752932 XJMNNKCKWKOGSZ-SNVBAGLBSA-N 246.354 2.716 30 20 BFED C=C[C@H](C)OC(=O)c1ccc(C(C)=O)c(C)c1 1263470570 GWTUTOFOTCHLLD-JTQLQIEISA-N 232.279 2.929 30 20 BFED C#CCN(CCc1ccc(F)cc1F)C1CC1 1324371200 WNKBWTHWBZHSEV-UHFFFAOYSA-N 235.277 2.605 30 20 BFED C=CC(C)(C)CNC(=O)c1scnc1Cl 1330798358 HYPXFALMIXPYCS-UHFFFAOYSA-N 244.747 2.739 30 20 BFED 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BIAHCROIFNHVMD-UHFFFAOYSA-N 242.754 2.575 30 20 BFED Cc1csc([C@@H](C#N)C(=O)c2ccccc2)n1 12699426 KBUCXYFVPUUOBK-NSHDSACASA-N 242.303 2.942 30 20 BFED C#Cc1cccc(NC2CCN(CCC)CC2)c1 19876824 ASQDQHPSJMVROB-UHFFFAOYSA-N 242.366 2.954 30 20 BFED N#CCOc1ccc(NCc2ccccn2)cc1 20126570 PRKSYSPLQTYNMI-UHFFFAOYSA-N 239.278 2.596 30 20 BFED N#Cc1cccc(CNCc2cccc(F)c2)c1 20473438 YQWGFIXHNBHXEX-UHFFFAOYSA-N 240.281 2.987 30 20 BFED C#CCN1CCC(Nc2cccc(C)c2)CC1 37185405 ZTDJZGFDLRYPIA-UHFFFAOYSA-N 228.339 2.505 30 20 BFED C[C@H](Cc1ccco1)Nc1cc(C#N)ccn1 38093236 WLXYEVGKUGQJHM-SNVBAGLBSA-N 227.267 2.589 30 20 BFED C[C@@H](NC1CCC1)c1ccc(C#N)cc1 44481093 KWUXWIOWSYQRFK-SNVBAGLBSA-N 200.285 2.761 30 20 BFED CCCN(CC#N)C(=O)c1ccc(Cl)s1 48567773 SIEHJEJBDQFLKC-UHFFFAOYSA-N 242.731 2.777 30 20 BFED CCN(CCC#N)C(=O)c1ccc(Cl)s1 51171944 WVONMUOIWDBJFI-UHFFFAOYSA-N 242.731 2.777 30 20 BFED C[C@@H](C(=O)Nc1cccc(C#N)c1)C1CC1 62159833 KZIYNXWDCAPZQO-SECBINFHSA-N 214.268 2.543 30 20 BFED C#CC(C)(C)NC(=O)[C@H](CC)c1ccccc1 70118084 JYKNRYWQHPWNMZ-CYBMUJFWSA-N 229.323 2.708 30 20 BFED C=CCNC(=O)NCCc1ccc(C(C)C)cc1 72486820 GPRJRCIHMRZNLF-UHFFFAOYSA-N 246.354 2.838 30 20 BFED N#Cc1ccccc1CSCc1ccon1 77411382 IDGHSOGZPXPHAJ-UHFFFAOYSA-N 230.292 2.980 30 20 BFED Cc1ccc(F)c(C(=O)N[C@H](C#N)C(C)(C)C)c1 85431805 VTAXHPHQBQLULM-GFCCVEGCSA-N 248.301 2.802 30 20 BFED C=CCN(CC=C)C(=O)c1cnn(C(C)C)c1C 92198928 HLZWWXBSBVXSMD-UHFFFAOYSA-N 247.342 2.587 30 20 BFED C=CCCC(=O)N1CCC[C@H]1C1CCC1 102878900 KEKDSLULIRUNEB-LBPRGKRZSA-N 207.317 2.744 30 20 BFED CCN(CCC#N)C(=O)CCc1ccc(F)cc1 103208280 UGCOIGHXUNIGJR-UHFFFAOYSA-N 248.301 2.520 30 20 BFED C=CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1 116851213 CYQVKVYZPGIEPF-QWHCGFSZSA-N 247.338 2.843 30 20 BFED C=CCCCn1c(-c2cccs2)noc1=O 117551812 VJZXSPCBFMNNKI-UHFFFAOYSA-N 236.296 2.531 30 20 BFED C#CCCCOC(=O)[C@@H]1CSc2ccccc21 118599675 UALSSLAQTQEKRL-GFCCVEGCSA-N 246.331 2.833 30 20 BFED C=CCSc1nc(O)c2c(C)cc(C)nc2n1 119408250 UGQIIFBEFHOEJO-UHFFFAOYSA-N 247.323 2.625 30 20 BFED CN(CCC1CCOCC1)CCC(C)(C)C#N 119734264 IEPWGVDWAVRGNC-UHFFFAOYSA-N 238.375 2.675 30 20 BFED CCC(CC)(CO)CNCC(C)(C)CCC#N 120507564 NFGFIJNVJQNALB-UHFFFAOYSA-N 240.391 2.705 30 20 BFED CCn1cc(NCC(C)(C)CCC#N)cn1 121947951 WCSOCRKGFFZHEP-UHFFFAOYSA-N 220.320 2.645 30 20 BFED C=C[C@@H](C)N[C@@H](C)c1cnn(C(C)C)c1 122988707 MQIYJDURMQWGGT-MNOVXSKESA-N 207.321 2.689 30 20 BFED C[C@@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1 123194270 UMLGFCZBYFWSLE-VXGBXAGGSA-N 214.312 2.931 30 20 BFED CN(C(=O)c1ccsc1)c1ccccc1C#N 127457532 OCJNJBPFKDPRPU-UHFFFAOYSA-N 242.303 2.896 30 20 BFED C=C(C)CSCc1ccnc(N(C)C)c1 127623952 GOFLEJZLDVMEDQ-UHFFFAOYSA-N 222.357 2.957 30 20 BFED CN(CC1CCCC1)c1cccnc1C#N 130015240 CCPZDJBIDKHQBS-UHFFFAOYSA-N 215.300 2.580 30 20 BFED C[C@@H](O)[C@@H](C)SCC#Cc1ccc(F)cc1 135308299 NRCUGJRRYUGJBY-GHMZBOCLSA-N 238.327 2.680 30 20 BFED N#Cc1ccc(CNCc2ccsc2)s1 135496600 XEJFFROKHDXKDM-UHFFFAOYSA-N 234.349 2.971 30 20 BFED CC[C@@](C)(C#N)C(=O)Nc1ccc(Cl)cn1 136183036 COVGDCSJZUFTGQ-NSHDSACASA-N 237.690 2.613 30 20 BFED C=CCCC(=O)N1CCC[C@H](CCC)C1 155266859 CNQFRTQCZJAZCC-LBPRGKRZSA-N 209.333 2.991 30 20 BFED C[C@H](C#N)NC(=O)C[C@@H]1CCCCC1(C)C 161919206 QVAINYPLVMBBBS-MNOVXSKESA-N 222.332 2.621 30 20 BFED C=CCCNC(=O)c1ccccc1CC 162205994 NBQNFYSNTWFLEB-UHFFFAOYSA-N 203.285 2.555 30 20 BFED C=CC[C@H](C)NC[C@@H](O)c1c(F)cccc1F 162759659 ZDXXKMBYTCLIRT-JOYOIKCWSA-N 241.281 2.552 30 20 BFED C#CCNc1cccc(OCCCC)c1 175947840 MUEGXJGXUOUPCI-UHFFFAOYSA-N 203.285 2.911 30 20 BFED C=CCCCC(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C 176275817 MHEVDBCMIATOQR-BXUZGUMPSA-N 239.359 2.663 30 20 BFED N#Cc1ccsc1NC(=O)[C@H]1C[C@H]1C1CC1 176465453 QMADQWLCJHTQDF-UWVGGRQHSA-N 232.308 2.604 30 20 BFED C#CCSCCN[C@@H](C)CCc1ccccc1 177361104 VBDJXBQFEOTPRG-AWEZNQCLSA-N 247.407 2.964 30 20 BFED C#CCCCCC(=O)N1CCC[C@H]2CCC[C@@H]21 180270322 AJVNGMDZUXIYPA-KGLIPLIRSA-N 233.355 2.971 30 20 BFED C=C(C)CN(C)[C@H](C)C(=O)N(C(C)C)C(C)C 181287017 OOYZYRHCTGKWMJ-CYBMUJFWSA-N 240.391 2.528 30 20 BFED C=CCCOCCN[C@H](C)C1CCCC1 181766975 ZMXNOKOMJYHYHT-GFCCVEGCSA-N 211.349 2.747 30 20 BFED CC#CCNc1cccc(OC[C@@H]2CCCO2)c1 182300806 WYBZYDMRQPJSIK-HNNXBMFYSA-N 245.322 2.680 30 20 BFED CC[C@H](CC#N)Nc1cc(C)nc(C2CC2)n1 184153148 TZONBDJXAMTPHF-LLVKDONJSA-N 230.315 2.767 30 20 BFED C#CCC(C)(C)C(=O)Oc1cccc([N+](=O)[O-])c1 184870498 NAMALLPFBGOGTF-UHFFFAOYSA-N 247.250 2.550 30 20 BFED Cc1ccccc1[C@H](NC(=O)CC#N)C(C)C 186004644 SABMBOQZWHJLHM-CQSZACIVSA-N 230.311 2.722 30 20 BFED C#CCSCCN[C@H](C)c1cc(C)ccc1O 186070339 KBUWGECFKCLKQC-GFCCVEGCSA-N 249.379 2.718 30 20 BFED C=CCN(C)C(=O)C(C)(C)c1ccccc1C 186137628 BPYIHECJGKZAOB-UHFFFAOYSA-N 231.339 2.917 30 20 BFED C=C[C@](C)(CCOC)C(=O)N[C@@H](C)CC1CC1 188768484 VNPRRYKDKUVOGN-SMDDNHRTSA-N 239.359 2.520 30 20 BFED C#CCCCCC(=O)N1CCSCC[C@H]1C 189996850 MHOCAETZSSLBGK-GFCCVEGCSA-N 239.384 2.534 30 20 BFED C=CC[C@H](C)NC(=O)NCC(C)(C)CC 190588385 VOISKLPPAOQOPP-JTQLQIEISA-N 212.337 2.686 30 20 BFED C#CCCCC(=O)NCc1ccc(C)cc1C 192081256 SXMZKTODCOVLES-UHFFFAOYSA-N 229.323 2.723 30 20 BFED C[C@@H](CC#N)NC(=O)/C=C/Sc1ccccc1 194659079 XBFKZXWBNALGGE-UQSGXBNBSA-N 246.335 2.711 30 20 BFED C=CCSCCNc1nc(C(C)C)ns1 226798746 FSQPCASLYVXVJE-UHFFFAOYSA-N 243.401 2.993 30 20 BFED C#C[C@H](C)NCc1ccc(C(C)C)cc1 229524212 HTMHEXKOOHNWNO-LBPRGKRZSA-N 201.313 2.921 30 20 BFED CC(C)(CCC#N)CNC[C@H]1CC1(C)C 230660170 WBCNWWPGNOOXNB-LLVKDONJSA-N 208.349 2.952 30 20 BFED CC[C@@]1(C=O)CCCN(C(=O)OC(C)(C)C)C1 238275277 ARLSPLFKEWLKJB-CYBMUJFWSA-N 241.331 2.613 30 20 BFED C[C@H]1CC[C@H](Nc2cccnc2C#N)CC1 253136938 SXUMVYLJKITRDF-XYPYZODXSA-N 215.300 2.944 30 20 BFED Cc1cc(C(=O)N[C@H](C#N)C(C)(C)C)ccc1F 267538166 ULRGINJWOGIATH-GFCCVEGCSA-N 248.301 2.802 30 20 BFED C=CCNC(=O)Nc1ccc2c(c1)CC(C)(C)O2 268361693 SSERTHUBOFFUAM-UHFFFAOYSA-N 246.310 2.708 30 20 BFED C=CCCN(C)C(=O)C[C@@H]1C=CCCC1 276374649 KQQIDFFBCOAQPX-GFCCVEGCSA-N 207.317 2.767 30 20 BFED C=CC[C@@H](CC)NC(=O)Cc1ccccc1F 281050634 KDZXXIQKXPTXLC-GFCCVEGCSA-N 235.302 2.839 30 20 BFED C=CC[C@H](CC)NC(=O)c1ccsc1 281269745 HEUBMRYIVHCDJD-JTQLQIEISA-N 209.314 2.833 30 20 BFED C=CC[C@H](CC)NC(=O)Nc1cc(C)ccn1 282065798 WKIIEOJBDMVVAM-NSHDSACASA-N 233.315 2.866 30 20 BFED FCCCCO/N=C/c1ccc(F)cc1 285022299 DUHODWIQHRLXAZ-NTEUORMPSA-N 213.227 2.926 30 20 BFED C=C1CCN(C(=O)c2nc(C(C)C)oc2C)CC1 285417755 QAMCRTFXDICWDQ-UHFFFAOYSA-N 248.326 2.899 30 20 BFED C=CCN[C@H](C)c1ccc(OC)c(OC)c1C 286947367 BKMNLEUAQADHHF-LLVKDONJSA-N 235.327 2.849 30 20 BFED C#C[C@@H](C)NCc1csc(-c2cccs2)n1 289345047 IJWRPOSSYUUCKH-SECBINFHSA-N 248.376 2.983 30 20 BFED C=CCn1c(C2CC2)nnc1N1CCCC1(C)C 290494049 VFWANVCLFQLSEA-UHFFFAOYSA-N 246.358 2.720 30 20 BFED C#CCN(C)C(=O)N[C@@H](C)c1cccc(C)c1C 291016347 NNAAUQHIOTTXAW-ZDUSSCGKSA-N 244.338 2.639 30 20 BFED C#Cc1ccc(CNCCC(C)(F)F)cc1 295612181 DVNMUQFEEMTUPJ-UHFFFAOYSA-N 223.266 2.803 30 20 BFED CC#CC(=O)N1Cc2cccc(C)c2CC1(C)C 295735554 AARISEXKCAXVAI-UHFFFAOYSA-N 241.334 2.682 30 20 BFED C=CCC(C)(C)C(=O)N1CCSC[C@@H]1C 297650957 JYBLGWCYYGPTMZ-JTQLQIEISA-N 227.373 2.553 30 20 BFED CC(C)[C@@H](Cc1ccc(F)cc1)NCCC#N 299182424 ZITCWUUMUHIXGX-CQSZACIVSA-N 234.318 2.896 30 20 BFED C#CCCN(C)Cc1ccccc1N1CCCC1 299232507 QOSMHJCCNPWUFV-UHFFFAOYSA-N 242.366 2.742 30 20 BFED C#CCN(CC)C(=O)/C=C(\C)c1ccc(F)cc1 299282353 DIJRFOMBQGAIFP-VAWYXSNFSA-N 245.297 2.711 30 20 BFED COc1cc(C)c([C@H](C)NCCC#N)cc1OC 299501857 BMVFLRWAAHRRRU-NSHDSACASA-N 248.326 2.577 30 20 BFED C=CC1CCN(c2nc(C3CC3)ns2)CC1 301500038 FOHCAIRTRNTVPH-UHFFFAOYSA-N 235.356 2.818 30 20 BFED C=CCOCCN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 301760751 BOMJVIWZIDHZBQ-UMVBOHGHSA-N 237.387 2.993 30 20 BFED CC[C@@H]1CCC[C@@H](Nc2ccc(C#N)nn2)C1 302012270 WWXUVOBOJIVKBS-GHMZBOCLSA-N 230.315 2.729 30 20 BFED CC(C)=CCNc1c(C#N)cccc1C#N 302876100 FWZOUTDCUMAXMD-UHFFFAOYSA-N 211.268 2.808 30 20 BFED C=C[C@@H](C(=O)O)N1CCC[C@@H](C(C)(C)C)CC1 304240092 XVWPOYYYINLBJU-NEPJUHHUSA-N 239.359 2.774 30 20 BFED C=CCCCN[C@@H](CCO)c1ccccc1 305774834 MVOPIRRHLOXXAQ-AWEZNQCLSA-N 219.328 2.666 30 20 BFED C#CCNc1c(F)cccc1SCC 307400906 BNFBPUFHYMIRDS-UHFFFAOYSA-N 209.289 2.983 30 20 BFED C[C@@H](NCCCC#N)c1ccnc(Cl)c1 308837092 IPVQCBFNIIFZLU-SECBINFHSA-N 223.707 2.689 30 20 BFED C=C(CC)CNC[C@@H](O)c1ccc(F)cc1F 313484066 OCHWJLUBAPZJAL-CYBMUJFWSA-N 241.281 2.554 30 20 BFED C=C(CC)CN[C@H]1CCc2cccc(O)c21 313484261 PLRWSZFGXWRZKF-LBPRGKRZSA-N 217.312 2.935 30 20 BFED N#CC1(/N=C(/O)C2CCC(=O)CC2)CCCCC1 328810570 MMVDBXCQOZYFNT-UHFFFAOYSA-N 248.326 2.929 30 20 BFED OC(=Nc1nc2cccnc2[nH]1)C1[C@H]2CCC[C@H]12 330208792 BHQVCSGLNJRUND-YUMQZZPRSA-N 242.282 2.592 30 20 BFED Cc1cccc(Sc2cc(C#N)ncn2)c1 334209374 MWNCWZZMVLDLPD-UHFFFAOYSA-N 227.292 2.808 30 20 BFED C=CC[C@@H]1N(C(=O)CC)CCCC1(C)C 335264006 ORQAGGPLFDKTNO-NSHDSACASA-N 209.333 2.990 30 20 BFED CC1(F)CC(N[C@H]2CCC[C@H](C#N)C2)C1 335374269 RXHFBGXEHOVQTP-JYBOHDQNSA-N 210.296 2.549 30 20 BFED CC1(C)CC[C@@H](Sc2cc(C#N)ccn2)C1=O 335661995 AJJSUWCWCLUTOQ-SNVBAGLBSA-N 246.335 2.803 30 20 BFED C=CC[C@H]1N(C(=O)c2ccon2)CCCC1(C)C 335847749 WFUUUKLUKASUNJ-GFCCVEGCSA-N 248.326 2.882 30 20 BFED C=C(C)CN(C)C(=O)Nc1cc(Cl)ccn1 335940434 HLYSDMGUFYBXJJ-UHFFFAOYSA-N 239.706 2.775 30 20 BFED Cc1cc(C#N)cc(N2CCS[C@@H](C)CC2)n1 336146270 CYXJNUHHVTYJNE-NSHDSACASA-N 247.367 2.594 30 20 BFED Cc1[nH]c(=NC[C@@H]2CC[C@H](C)C2)ccc1C#N 336716119 PUABYOUPBTWKCP-CMPLNLGQSA-N 229.327 2.532 30 20 BFED C[C@H](Cn1cc(C#N)ccc1=O)C1CCCCC1 336794952 GXEZIZRZHKMOCN-GFCCVEGCSA-N 244.338 2.936 30 20 BFED C=CCCC[C@H](C)NC(=O)[C@@H]1O[C@H](C)C[C@H]1C 337118434 BOCDSGGXUGTPPA-YVECIDJPSA-N 239.359 2.661 30 20 BFED C=C(C)CN[C@@H]1CCCC[C@@H]1OC(F)F 337431855 VIOLDFRPAHCGSF-ZJUUUORDSA-N 219.275 2.703 30 20 BFED C=CCOCCCC(=O)NC[C@@H]1CCC[C@@H]1C 339501735 ZZYSXBFQUVMRON-STQMWFEESA-N 239.359 2.522 30 20 BFED CC[C@H](CC(=O)N[C@@H](C)C#N)c1ccc(C)cc1 340437316 WHBKWSMNZOSVFZ-QWHCGFSZSA-N 244.338 2.907 30 20 BFED C=C[C@H]1CCCCN1c1cc(C)nc(C#N)c1 343083646 MODJERHGVHMIMF-ZDUSSCGKSA-N 227.311 2.807 30 20 BFED CC1(CN2CCC(F)(C#N)CC2)CCC1 348668846 FXGIDNIETJADHK-UHFFFAOYSA-N 210.296 2.504 30 20 BFED C=CCCCc1nc(Cc2cccnc2C)no1 351239629 VOVLXAWIZKJUEZ-UHFFFAOYSA-N 243.310 2.873 30 20 BFED C=CCN(C(=O)c1cncs1)c1ccccc1 351768672 JCPIIWBQRHICNO-UHFFFAOYSA-N 244.319 2.976 30 20 BFED C=CCCCCCN(C)C(=O)[C@H]1CCSC1 354277244 MLBIDOHSRKBHJA-LBPRGKRZSA-N 241.400 2.944 30 20 BFED CC(C)(CCC#N)CNC(=O)C(C)(C)C(F)F 359759446 UREGJENPQPKMCH-UHFFFAOYSA-N 246.301 2.724 30 20 BFED C=CC[C@H](C)N[C@@H]1CC[C@@H]2SCCS[C@H]21 380148362 XETKXCJQLQRSBA-USZNOCQGSA-N 243.441 2.920 30 20 BFED C#C[C@H](NCc1ccc(OC)c(C)c1)C(C)C 382666614 IROXRNCDJBXJRI-AWEZNQCLSA-N 231.339 2.751 30 20 BFED CC/C=C/CNc1cccc(C#N)c1[N+](=O)[O-] 384798580 XHGLTXLMSQXVCG-ONEGZZNKSA-N 231.255 2.845 30 20 BFED N#CCCC1CCN(C(=O)CCC2CC2)CC1 400789119 KVOMZQZNJQTESF-UHFFFAOYSA-N 234.343 2.719 30 20 BFED CC[C@@H]1COC(C)(C)CN1CC1(CC#N)CC1 403810312 HGENKTUMZIEFPZ-GFCCVEGCSA-N 236.359 2.570 30 20 BFED CCC[C@]1(C)CCCN(C(=O)NCCC#N)C1 408366142 MSZBXZCAEFIWBR-CYBMUJFWSA-N 237.347 2.512 30 20 BFED CCOCCN(C)CCC1(C#N)CCCCC1 411449979 TUSIRBZYXSCAQG-UHFFFAOYSA-N 238.375 2.819 30 20 BFED CC[C@@H](C)CN(CC)c1ncc(C#N)cc1F 413176163 SSVWVSSNFPSVPN-SNVBAGLBSA-N 235.306 2.965 30 20 BFED N#CC1(CSCCOC2CCC2)CCC1 419473451 JWQUJTBTLGLZAB-UHFFFAOYSA-N 225.357 2.983 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@@H](C)[C@H]1CCCNC1 423208642 DJDSGABHVNWAIV-XUXIUFHCSA-N 224.392 2.565 30 20 BFED C=CCC[C@@H](NC[C@@H](N)C1CC1)c1ccco1 423317275 KFFXWCOCTQSKMZ-CHWSQXEVSA-N 234.343 2.614 30 20 BFED CC[C@H]1CCCN1c1ncc2c(c1C#N)CCC2 425228806 QKAXYGDYLISSCB-LBPRGKRZSA-N 241.338 2.821 30 20 BFED CC[C@H]1CCN(c2ncc3c(c2C#N)CCC3)C1 425241592 QKTBCYNFCXRINN-NSHDSACASA-N 241.338 2.678 30 20 BFED CC[C@@H]1CCN(c2c(C#N)cccc2[N+](=O)[O-])C1 425244765 VOWNNYBTOURHLZ-SNVBAGLBSA-N 245.282 2.703 30 20 BFED C=C(C)CNC(=O)c1cnn(C(C)C)c1C1CC1 427944549 PCPMXWPRDKDSCP-UHFFFAOYSA-N 247.342 2.647 30 20 BFED C[C@H](CCc1cccn1C)N[C@H]1CC[C@H](C#N)C1 442795570 RVFABPRYKHNWON-RDBSUJKOSA-N 245.370 2.628 30 20 BFED C[C@@H]1CC[C@H](C(=O)N(C)C2(C#N)CCC2)C[C@H]1C 448784676 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C[C@H](Cc1ccncc1)Nc1ccc(C#N)cc1 487648506 QJIZLUVQZUZABT-GFCCVEGCSA-N 237.306 2.996 30 20 BFED C=CCn1cccc1C(=O)N(C)[C@H](C)C(C)C 488479238 AVLNGRKEOQVKAU-GFCCVEGCSA-N 234.343 2.791 30 20 BFED C#C[C@H](NC(=O)[C@@H]1CCC(C)=C(C)C1)C(C)C 491473658 GOLCXPQNXONQDJ-KGLIPLIRSA-N 233.355 2.897 30 20 BFED O=C1C=C/C(=N/c2ccc(O)cc2)C(Cl)=C1 514278496 UJRHMCCZBPGLLB-OWBHPGMISA-N 233.654 2.726 30 20 BFED C=CCOCCCC(=O)N(CC)[C@@H](C)C(C)C 525796615 AZZRCVGSGMIBDS-ZDUSSCGKSA-N 241.375 2.862 30 20 BFED C[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cn1 562046807 GPRXUAHACGHJFC-FZMZJTMJSA-N 229.327 2.622 30 20 BFED Cc1cc(N(CCC#N)CC(C)(C)C)nc(C)n1 563426957 PAUXEOSBOJOGBZ-UHFFFAOYSA-N 246.358 2.860 30 20 BFED N#CC1(CSC[C@@H]2CCCOC2)CCC1 571031457 ZTPSLYUVDHESDQ-LLVKDONJSA-N 225.357 2.840 30 20 BFED CC[C@@H]1OCC[C@H]1NCc1ccc(C#N)cc1C 590972997 JFBSWLNUMBPZNX-CABCVRRESA-N 244.338 2.524 30 20 BFED C[C@@H](C#N)c1ccc(C2=CCNCC2)cc1 592989073 QMFNNXWJWQWYTJ-NSHDSACASA-N 212.296 2.690 30 20 BFED 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30 20 BFED CC1=C(C(=O)OCCC(C)(C)C#N)CCC1 776396055 ODBLJVVTHRPOGI-UHFFFAOYSA-N 221.300 2.970 30 20 BFED COC[C@H](C)NN=C(C)c1cc(C)cc(C)c1 777903049 PDYMEUGVXGGPSR-LBPRGKRZSA-N 234.343 2.652 30 20 BFED N#CCCCCOC(=O)[C@H](F)Cc1ccccc1 778195484 FFDIAPHJLBMOPF-CYBMUJFWSA-N 249.285 2.804 30 20 BFED CC(=NNCCOC(C)C)C1CCCC1 778549873 GXMBWELORYURPM-UHFFFAOYSA-N 212.337 2.567 30 20 BFED C(=NN=c1cc[nH]cc1)[C@H]1C[C@@H]1c1ccccc1 779807457 XQCXFHLUQLUZDY-UKRRQHHQSA-N 237.306 2.705 30 20 BFED C=C(C)CCOC(=O)[C@H]1CCO[C@H](CC)C1 780392955 SPXTXPFZMIAFDD-NWDGAFQWSA-N 226.316 2.701 30 20 BFED Cc1cc(O)nc(NN=C[C@H]2CCCC[C@H]2C)n1 783773358 XCKZXASXQLYLGZ-MWLCHTKSSA-N 248.330 2.715 30 20 BFED C[C@H]1CCCC[C@H]1C=NNc1cccnn1 783847346 ZASJSANCTNBITJ-QWRGUYRKSA-N 218.304 2.701 30 20 BFED COC1CCC(=NNc2ccnc(F)c2)CC1 783868034 ZVFRDMLJROIDBG-UHFFFAOYSA-N 237.278 2.578 30 20 BFED C=CCCCCCOC(=O)c1oncc1C 784101033 NEEFMALNGWMDJD-UHFFFAOYSA-N 223.272 2.886 30 20 BFED C=CCCCCCOC(=O)c1cc(OC)no1 784723704 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FGYVZTKVIPVJIK-UHFFFAOYSA-N 241.132 2.510 30 20 BFED F[C@H]1CCCC1=NNc1nc2ccccc2[nH]1 872328173 PPUGWUSFIGLKAN-QMMMGPOBSA-N 232.262 2.853 30 20 BFED Cc1cccc(O)c1CN1CCC(CC#N)CC1 877191327 PPXAOCMIMXLEST-UHFFFAOYSA-N 244.338 2.826 30 20 BFED CC[C@H](C#N)NC(=O)CCCCc1ccccc1 889811654 WHFCTZCDXJHTDO-CQSZACIVSA-N 244.338 2.818 30 20 BFED CC[C@H](C)[C@@H](C)C(=O)N(CC#N)c1ccccn1 892470318 OBZUPFXGBMXIQW-NWDGAFQWSA-N 245.326 2.620 30 20 BFED C=C(Cl)CNCc1c(C)nn(C(C)C)c1C 893351810 VDXIVGWFVMXKMT-UHFFFAOYSA-N 241.766 2.923 30 20 BFED C=C(Cl)C[S@@](=O)Cc1ccsc1 899436463 HHVTXOLCIRWHLP-GFCCVEGCSA-N 220.746 2.749 30 20 BFED C=CCC[C@@H](NCc1csc(C)c1)C(=O)O 901690581 QDPMOHYWZFFMBU-LLVKDONJSA-N 239.340 2.566 30 20 BFED CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccsc1C#N 909901892 UAQPXOPWRHHLMZ-YPMHNXCESA-N 248.351 2.784 30 20 BFED C=C(C)C/N=C(/NCC1CCC1)NC(C)(C)C 912499604 UZRWNYGETQIMBF-UHFFFAOYSA-N 237.391 2.696 30 20 BFED CCC(O)(CC)CCN[C@H](C)CC(C)(C)C#N 926253844 FIQTUGCFNHMJIQ-GFCCVEGCSA-N 240.391 2.846 30 20 BFED N#C[C@H]1CCCN(C(=O)C2=CCCCCC2)C1 928217680 CNLPMFPOSBGUEV-GFCCVEGCSA-N 232.327 2.639 30 20 BFED Cc1cc(C)c(C(=O)N2CCC[C@@H](C#N)C2)s1 928232017 PEFYKAWEXDZMKU-NSHDSACASA-N 248.351 2.741 30 20 BFED C=C[C@@H](CC)CC(=O)N1CCC[C@@H](C)C1 929139664 UUFAKCGCQFCDBZ-NEPJUHHUSA-N 209.333 2.847 30 20 BFED CC(C)(C)c1nc(CN2CCC(C#N)CC2)co1 929416474 MOEDUZPOPKQLLE-UHFFFAOYSA-N 247.342 2.708 30 20 BFED CC(C)CC[C@H]1CCCCN1C[C@H](O)CC#N 930034041 KQDFTLMUIQMPMR-ZIAGYGMSSA-N 238.375 2.552 30 20 BFED Cc1ccc(C#N)cc1C(=O)N[C@@H]1CC[C@@H](C)C1 935541297 RUGIGBDGZUTSCY-ZWNOBZJWSA-N 242.322 2.785 30 20 BFED COc1cc(C)cc(C=NOC(C)(C)C)c1O 1119298679 FVGPOABPCMVQEH-UHFFFAOYSA-N 237.299 2.858 30 20 BFED CC(C)CONc1cc(C#N)sc1[N+](=O)[O-] 1119949219 UXNLFGWEHKJRSM-UHFFFAOYSA-N 241.272 2.527 30 20 BFED CC/C=C(\C)C(=O)[C@@H](C#N)c1cccc(F)n1 1122632457 VSDIXXIZPOALBH-CYNRKNSPSA-N 232.258 2.753 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccnn1[C@@H](C)CC 1123661124 BUGSHZIHPPYHGR-MNOVXSKESA-N 235.331 2.549 30 20 BFED C#CCN(CC)[C@@H]1CCc2c(F)cccc21 1318941962 AOLFNYHYEVCLFM-CQSZACIVSA-N 217.287 2.768 30 20 BFED C=C[C@@H](COC)N[C@H](CC)c1ccccc1O 1320534337 WYTRWCNAYBGDAX-WCQYABFASA-N 235.327 2.634 30 20 BFED C(=NN[C@@H]1CCSC1)c1ccc2c(c1)CCC2 1323617115 DDLHPVUHKRBWTO-CQSZACIVSA-N 246.379 2.604 30 20 BFED CC1CC(=NNc2cc(Cl)ccn2)C1 1324928937 XDSPIUYJHZQLQO-UHFFFAOYSA-N 209.680 2.933 30 20 BFED CCCCN(O)C(=O)C1(Oc2ccccc2)CC1 1332493166 OMJZWZGNUWGAIY-UHFFFAOYSA-N 249.310 2.616 30 20 BFED C#Cc1ccc(NC(=O)NC/C=C\C2CC2)cc1 1335271866 CQCOWTYIIXWERX-ARJAWSKDSA-N 240.306 2.756 30 20 BFED CC(C)CCC(=O)N[C@H](C#N)C1CCCC1 1339780375 WFJXCZTVTQVLRC-GFCCVEGCSA-N 222.332 2.621 30 20 BFED C=CC(C)(C)CC(=O)OC[C@@]1(C)C[C@H]1F 1343500807 KXPWFCNKNJJTCP-BXKDBHETSA-N 214.280 2.880 30 20 BFED C=CC(C)(C)CC(=O)OC[C@@]1(C)C[C@@H]1F 1343500811 KXPWFCNKNJJTCP-JOYOIKCWSA-N 214.280 2.880 30 20 BFED C=Cc1ccc(CCNC(=O)C(=C)CC)cc1 1347609472 VSQCBOONCJYZJA-UHFFFAOYSA-N 229.323 2.955 30 20 BFED C=C(CC)C(=O)NC[C@@H]1CCC[C@H](C)C1 1348570849 SKBWUZYWWYKUPM-CMPLNLGQSA-N 209.333 2.895 30 20 BFED C=CCCCC(=O)OCc1ccc2n[nH]cc2c1 1350333320 IIASJKWBVRDSCU-UHFFFAOYSA-N 244.294 2.962 30 20 BFED C=C[C@H](C(=O)N1CCC[C@@H]1C)c1ccccc1 1521166760 QTLMOACROBQBLW-JSGCOSHPSA-N 229.323 2.967 30 20 BFED C=CC[C@H](C(=O)O)N1CC[C@H]1c1cccc(F)c1 1588728027 BALGDWMUGZOOQL-QWHCGFSZSA-N 249.285 2.602 30 20 BFED C=CC[C@@H](C(=O)O)N1CCC(CCC)CC1 1588729535 RXRBLPOZRRSCRP-LBPRGKRZSA-N 225.332 2.528 30 20 BFED Cc1ccccc1[C@H](SCCC#N)C(=O)O 1600574022 NBVWVYDMXBIQAE-NSHDSACASA-N 235.308 2.768 30 20 BFED CC[C@@H]1CCN(c2snc(C)c2C#N)[C@H]1C 1612278794 JMNLJASGAYCRJC-VHSXEESVSA-N 235.356 2.948 30 20 BFED C=CCNC(=S)Nc1ccc2c(c1)CCC2 13812846 XWOYHGUMPJNTLM-UHFFFAOYSA-N 232.352 2.648 30 20 BFED C#CCOc1ccccc1CN[C@@H](C)CCC 20087010 HKNCSCGZBABFCM-ZDUSSCGKSA-N 231.339 2.977 30 20 BFED CCN(CCOc1ccccc1C#N)CC(C)C 34674642 FIPPULPIJBZADY-UHFFFAOYSA-N 246.354 2.915 30 20 BFED CO[C@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1 37212186 BEYFUTMMMLEFIJ-KBPBESRZSA-N 230.311 2.928 30 20 BFED C=CCN(C)C(=O)Nc1cc(C(C)(C)C)on1 39627139 KCIPJIIZEPMNPU-UHFFFAOYSA-N 237.303 2.622 30 20 BFED N#Cc1ccc(NCCc2ccc(O)cc2)cc1 41067016 RADKIJLSRLDQLC-UHFFFAOYSA-N 238.290 2.918 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)Cc1ccc(C)cc1 42296688 JCAVZSAVXJUQQU-ZDUSSCGKSA-N 244.338 2.546 30 20 BFED CCN(CCC#N)C(=O)c1cccc(C)c1C 42454234 CKKZMINJOSEIFK-UHFFFAOYSA-N 230.311 2.679 30 20 BFED CC(C)CCN(C)C[C@@H](O)c1ccc(C#N)cc1 42457070 LMJWTWOZGVVLNE-OAHLLOKOSA-N 246.354 2.570 30 20 BFED C=C(C)CNC(=S)Nc1ccccc1N(C)C 44107512 IKYQFWSBMDTFRE-UHFFFAOYSA-N 249.383 2.615 30 20 BFED C[C@H]1CCCCN1C(=O)c1sccc1C#N 52028090 GVYOQIMBPBXBTH-VIFPVBQESA-N 234.324 2.634 30 20 BFED C=CCNC(=O)N[C@H](CC)c1cccs1 59850661 XZRLAUHYAXGYIR-SECBINFHSA-N 224.329 2.684 30 20 BFED N#CCCCCN1CCOc2ccccc2C1 61559652 ZMRHDLNKKATRMK-UHFFFAOYSA-N 230.311 2.575 30 20 BFED C=CCN(C)Cc1ccc(OC(F)F)cc1 61780222 NUAYEDMWHBYGED-UHFFFAOYSA-N 227.254 2.906 30 20 BFED C=C(Cl)CN1C[C@H](CCN)c2ccccc21 63128730 PYSZDDPPEQTXMX-NSHDSACASA-N 236.746 2.692 30 20 BFED Cc1cc(C)cc(C(=O)N(C)C2(C#N)CCC2)c1 67683973 XIPULQUGQXOGPV-UHFFFAOYSA-N 242.322 2.822 30 20 BFED Cc1cccc(C(=O)N(C)C2(C#N)CCC2)c1 67684032 PMSLVHJPMCAKIH-UHFFFAOYSA-N 228.295 2.513 30 20 BFED C[C@@H](CC#N)NCc1cccc(OC(F)F)c1 68615852 HXGHCXVJVLZMPW-VIFPVBQESA-N 240.253 2.680 30 20 BFED N#Cc1cccc(CNCCOC2CCCC2)c1 70167957 LMKWTRATUOKVTJ-UHFFFAOYSA-N 244.338 2.607 30 20 BFED N#CCCCCNC(=O)Nc1ccc(F)cc1 70940807 XYCNJLDONKAUFE-UHFFFAOYSA-N 235.262 2.641 30 20 BFED CC(C)[C@H](C#N)NC(=O)c1ccc(Cl)s1 70981118 RILINLNEPWAVRK-ZETCQYMHSA-N 242.731 2.679 30 20 BFED Cc1c(F)cccc1NC(=O)N(C)C[C@@H](C)C#N 72604004 MKURPBFHOOPDDX-VIFPVBQESA-N 249.289 2.758 30 20 BFED C=CCN(C)[C@@H](C)c1ccc(OC)cc1 73986521 CEYDJEYZSZJUGG-NSHDSACASA-N 205.301 2.874 30 20 BFED C=C(Cl)CN1CCOC[C@@H]1c1ccccc1 76119673 AVJUXRBOVHVHGB-CYBMUJFWSA-N 237.730 2.812 30 20 BFED CSCCN(C)CC(C)(C)CCC#N 93509733 CSDLKXSFCFZTIK-UHFFFAOYSA-N 214.378 2.611 30 20 BFED CC#CCOc1ccc(Cl)cc1[N+](=O)[O-] 97599372 BZVLXEBIQFQAHB-UHFFFAOYSA-N 225.631 2.650 30 20 BFED C=CCCC(=O)Nc1ccc(N(C)C)cc1 102210931 NTJNUMKKUHGHCL-UHFFFAOYSA-N 218.300 2.657 30 20 BFED C=CCSCCNCc1ccccc1 105462529 OPMCTSVXNYMMBP-UHFFFAOYSA-N 207.342 2.695 30 20 BFED CN(CC#N)C(=O)CC12CC3CC(CC(C3)C1)C2 112011321 JROQASXZUXDMET-UHFFFAOYSA-N 246.354 2.575 30 20 BFED C[C@@H]1CCC[C@](C#N)(NC(=O)CCC2CC2)C1 116804914 JOIKAYCDSDOQLV-RISCZKNCSA-N 234.343 2.765 30 20 BFED CN(C)c1ccccc1NCc1ccc(C#N)o1 127202398 HZJSBFCWOZVQGL-UHFFFAOYSA-N 241.294 2.829 30 20 BFED CCCC1CCN(c2cccnc2C#N)CC1 129980099 RFTUOXZWBHNHOR-UHFFFAOYSA-N 229.327 2.970 30 20 BFED C[C@@H](CN(C)C)Nc1ccc(C#N)cc1Cl 130415314 SFHBRFXFTNTEHP-VIFPVBQESA-N 237.734 2.574 30 20 BFED C=C[C@@H](C)N[C@@H](C)Cc1ccc(OC)c(OC)c1 132679202 WGUJZPYOCBRNLC-NEPJUHHUSA-N 249.354 2.799 30 20 BFED CC(C)(C)CCNC(=O)Cc1ccc(C#N)cc1 133926443 ZASFSMQWSGPWTA-UHFFFAOYSA-N 244.338 2.653 30 20 BFED C=C[C@@](C)(CC)C(=O)NCc1ccc(OC)cc1 134853568 GRCUONVIRPKHPG-HNNXBMFYSA-N 247.338 2.914 30 20 BFED CCOc1ccc(NC(=O)[C@@](C)(C#N)CC)cc1 136163928 BPIFIDWBXAIGKF-CQSZACIVSA-N 246.310 2.964 30 20 BFED CN(C)c1ccc(NCC(C)(C)CCC#N)nc1 150897119 FYXXUWMDPIARSL-UHFFFAOYSA-N 246.358 2.889 30 20 BFED O=C(/C=C/c1cccnc1)c1cncc(F)c1 150947833 HFAISZDDBNOSOG-ONEGZZNKSA-N 228.226 2.512 30 20 BFED Cc1ccc(C)c(NC(=O)N[C@@H](C)CC#N)c1 153081840 DZUNBTUDGQDFSB-NSHDSACASA-N 231.299 2.727 30 20 BFED CCCCCCCO/N=C(\N)C1CCOCC1 153735913 ZGLOKOSMQMXDTQ-UHFFFAOYSA-N 242.363 2.672 30 20 BFED C[C@@H]1CCCN1CC#Cc1ccc(F)cc1 154164876 OJXOAPYYNVMFCJ-GFCCVEGCSA-N 217.287 2.662 30 20 BFED C=CCN(C)Cc1ncccc1C(F)(F)F 154782674 JJAMFJHBSBOYQS-UHFFFAOYSA-N 230.233 2.718 30 20 BFED C=C(C)CNC(=O)Nc1ccc(C)cc1OC 156839097 IWVWFRMJYYSCPI-UHFFFAOYSA-N 234.299 2.701 30 20 BFED CC#CCCOc1ccc([C@H](C)O)cc1 161365333 WKOXUTDLBPJWFA-NSHDSACASA-N 204.269 2.532 30 20 BFED C=CCN(C(=O)c1ccc(C)c(O)c1)C(C)C 165376229 DDOBCMABXCPBAB-UHFFFAOYSA-N 233.311 2.737 30 20 BFED C=CCN(CC)[C@H]1CCN(Cc2ccccc2)C1 171919495 VTPLQUSSZXDMRA-INIZCTEOSA-N 244.382 2.769 30 20 BFED CC#CCOC(=O)C12CC3CC(CC(C3)C1)C2 174273963 NHKMMSWZMXZUJM-UHFFFAOYSA-N 232.323 2.769 30 20 BFED CC#CCOC(=O)C[C@H](C)c1ccccc1OC 175413404 BHFXWPPYCPLBJT-LBPRGKRZSA-N 246.306 2.755 30 20 BFED C[C@H](OC(=O)C1CC1)c1ccc(C#N)cc1 175752289 RHBNAECALZWRDY-VIFPVBQESA-N 215.252 2.572 30 20 BFED CC[C@H](C#N)OC(=O)c1ccc(Cl)s1 175993110 UAKJZDFTBXPDML-ZCFIWIBFSA-N 229.688 2.860 30 20 BFED CCCCCC(=O)Nc1cc(C#N)ccc1O 176830626 OSDVYHRIYSEADJ-UHFFFAOYSA-N 232.283 2.783 30 20 BFED CC#CCNC(=O)C=C(CCC)CCC 180775837 WXTGVVFENOWWEN-UHFFFAOYSA-N 207.317 2.653 30 20 BFED CC#CCNc1cccc(C(=O)CC)c1 182309769 DTWNWJRNURGQKG-UHFFFAOYSA-N 201.269 2.715 30 20 BFED C=CCCC[C@H](C)NC(=O)Cc1ccc(C)nc1 182603594 DOBJDNGVASGMFT-ZDUSSCGKSA-N 246.354 2.794 30 20 BFED CC#CCCCC(=O)Oc1ccccc1 184867015 LRICRDVFTNTHKE-UHFFFAOYSA-N 202.253 2.786 30 20 BFED CC(C)[C@](C)(C#N)NC(=O)[C@H]1C[C@]1(C)C(C)C 185802501 XMNWMKHIMHGLOU-BNOWGMLFSA-N 236.359 2.723 30 20 BFED Cc1cc2occ(C(=O)N[C@H](C)C#N)c2cc1C 186650761 YDQWJNAKGCQQPX-SNVBAGLBSA-N 242.278 2.692 30 20 BFED C#CCN(C)C(=O)c1scnc1C1CCCC1 191057084 VULXKAIQEOSEDB-UHFFFAOYSA-N 248.351 2.506 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1nc(C)ccc1O 191231977 AODZVVKXMZAYLZ-CYBMUJFWSA-N 234.299 2.636 30 20 BFED C=CCCC[C@H](C)NCc1cccc(OC)n1 191562070 OFHADEZFRCAJLD-LBPRGKRZSA-N 234.343 2.925 30 20 BFED C=C1CCN(C(=O)c2ccc(F)cc2)CC1 201501603 ZAYDOSLFBNPYJM-UHFFFAOYSA-N 219.259 2.618 30 20 BFED Cc1noc(C)c1/C=C\C(=O)c1ccc(O)cc1 212082396 WJXRQWXPFBLJAL-FPLPWBNLSA-N 243.262 2.893 30 20 BFED N#Cc1cc2c(Br)cccc2cn1 216749006 KFEVBXDJZNHECN-UHFFFAOYSA-N 233.068 2.869 30 20 BFED CCCCS(=O)(=O)CCCCC(C)(C)C#N 232985495 PZIJPRNIDZHAMJ-UHFFFAOYSA-N 245.388 2.921 30 20 BFED C#C[C@H](CCC)NC(=O)CC1CCCCC1 233357122 KJRTYVFCBHHSLI-CYBMUJFWSA-N 221.344 2.875 30 20 BFED CCC[C@]1(C)CCCN(/C(=N/CC)N(C)C)C1 262034361 XNXXNPDIUJFWCP-SXWSKBOKSA-N 239.407 2.826 30 20 BFED C#CC(C)(C)NC(=O)[C@H](C)Cc1cccc(F)c1 265246827 SIGBWNDGIKYMGM-LLVKDONJSA-N 247.313 2.532 30 20 BFED C=CCCC(=O)NC1(c2cccc(C#N)c2)CC1 269598506 GJWAARMZUVIDMM-UHFFFAOYSA-N 240.306 2.630 30 20 BFED C#CCCCN1CC[C@H](c2ccc(OC)cc2)C1 271047415 ORNHHNGOXAJTBG-HNNXBMFYSA-N 243.350 2.898 30 20 BFED CCN(CC#N)Cc1c(C)nn(C(C)(C)C)c1C 271124096 GHWOVDRHEDMXDF-UHFFFAOYSA-N 248.374 2.600 30 20 BFED C#CCCCCc1nc(CC(C)C)no1 271521892 OPEABAONFGLIHF-UHFFFAOYSA-N 206.289 2.614 30 20 BFED CC1(C)CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 276928863 NVIVIULIYSWJAZ-JTQLQIEISA-N 245.326 2.585 30 20 BFED CC#CC(=O)N(Cc1ccc(F)cc1)CC1CC1 277751999 RRVIODVQDUMHKZ-UHFFFAOYSA-N 245.297 2.588 30 20 BFED C=CCNC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 280674310 YRMFNCCUDIXLJT-AULYBMBSSA-N 248.301 2.557 30 20 BFED C=CC[C@@H](CC)NC(=O)c1scnc1C 281046265 JRRPBUTWQGPOET-SECBINFHSA-N 224.329 2.536 30 20 BFED Cc1oc(C#N)cc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 281692103 GLJMXHAECTUJBV-AOOOYVTPSA-N 246.310 2.578 30 20 BFED C#C[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(C)C 282356918 ZYYPFSHFKHSHCW-CYBMUJFWSA-N 249.741 2.657 30 20 BFED C#CCC(CC#C)C(=O)N1CC[C@@H](C)C[C@@H](C)C1 287836996 WZKYEXMBYLEHGH-ZIAGYGMSSA-N 245.366 2.544 30 20 BFED C=CCn1c(C)nnc1N1CCC[C@@H]1C1CCC1 290126358 GLHOOWKBOYPAHN-CYBMUJFWSA-N 246.358 2.541 30 20 BFED CC#CCN(C)C(=O)c1ccc(C)c(Cl)c1 294367087 BSCJIDCQQYXIKG-UHFFFAOYSA-N 235.714 2.744 30 20 BFED C[C@H](NCCC#N)c1ncc(-c2ccccc2)o1 299212940 HAYGJRMCRHCONK-NSHDSACASA-N 241.294 2.906 30 20 BFED CCOc1cccc([C@@H](C)NCCC#N)c1 299725475 UJORPHYVAUKRNC-LLVKDONJSA-N 218.300 2.650 30 20 BFED C[C@@H](CCC#N)N1CC=C(C(F)(F)F)CC1 299730172 WQQYMKMHLPFAOQ-VIFPVBQESA-N 232.249 2.873 30 20 BFED CC[C@H]1[C@@H](C)CCN1c1ccc(C#N)cn1 302381467 ICPHHXWVTUWUBO-JQWIXIFHSA-N 215.300 2.578 30 20 BFED C#CCCCCNC(=O)[C@H](CC)CC(C)C 308028607 TZOMGBBSNAEVIQ-CYBMUJFWSA-N 223.360 2.978 30 20 BFED CCc1nc(C#N)cc(N2CCC[C@H]2C(C)C)n1 308169485 OGIKWQPTQMJILD-LBPRGKRZSA-N 244.342 2.535 30 20 BFED C#C[C@H](C)N[C@@H](C)CCc1ccsc1 308560762 FCCXTFOMCFQTJY-QWRGUYRKSA-N 207.342 2.681 30 20 BFED C=CCCCCN[C@H](C)C(=O)OC(C)(C)C 309176070 COVKBTDCKYSNHN-LLVKDONJSA-N 227.348 2.663 30 20 BFED N#Cc1cc(F)ccc1N[C@@H]1CC[C@H](F)C1 309592454 SQVVNOZUNVTFEH-WDEREUQCSA-N 222.238 3.000 30 20 BFED N#CCc1cccc(NCc2cccs2)n1 309605046 XPMVCJGJOYLYQQ-UHFFFAOYSA-N 229.308 2.821 30 20 BFED C=CC[C@H](CC)N[C@H]1CCN2CCC[C@@H]2C1 309715269 SODZJGPMYLGZGC-MELADBBJSA-N 222.376 2.558 30 20 BFED Cc1ccc2oc(CNCCC#N)cc2c1 309883828 XDNKJGSOWMGHEW-UHFFFAOYSA-N 214.268 2.745 30 20 BFED C=C(CC)CNc1ccc(C(=O)O)cc1 313491864 BGTRSXUXAMPHMV-UHFFFAOYSA-N 205.257 2.763 30 20 BFED O/C(CC1CCC1)=N/Cc1nnc(C2CC2)o1 330094858 UJMRXVQEBBAIJL-UHFFFAOYSA-N 235.287 2.594 30 20 BFED C[C@@H](C#N)NC(=O)Cc1ccc(C(C)(C)C)cc1 330614756 BKBOYEFJWRDOLQ-NSHDSACASA-N 244.338 2.555 30 20 BFED C=C[C@H](C)NC(=O)c1cncc2ccccc12 334494198 QUCVWLHFSZCWLZ-JTQLQIEISA-N 226.279 2.539 30 20 BFED C=C[C@@](C)(CC)C(=O)N1CCSC[C@@H](C)C1 334570258 KGLQENPKABVFON-AAEUAGOBSA-N 241.400 2.800 30 20 BFED Cc1c2c(nc3ccc(C#N)cc13)CCCC2=O 334599015 PSQUQAPIMDHDGL-UHFFFAOYSA-N 236.274 2.934 30 20 BFED Cc1ccc(C#N)c(N[C@@H]2CS[C@@H](C)C2)n1 334657922 CKOGRNSDQVYOLT-ONGXEEELSA-N 233.340 2.568 30 20 BFED C[C@@H]1CC[C@@H](N(C)CC2(C#N)CCC2)C1 334794160 IWVMOKBEMURJFR-VXGBXAGGSA-N 206.333 2.801 30 20 BFED CC1(C)CC[C@@H]1NC(=O)c1ccc(C#N)s1 335957054 ZEBWLZDIZBGFAR-JTQLQIEISA-N 234.324 2.538 30 20 BFED N#Cc1cccc(CN2CC[C@H]3CCC[C@H]32)c1 336441621 KFIPBJIFMZAXMO-HUUCEWRRSA-N 226.323 2.933 30 20 BFED C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CCC1(F)F 339200115 CYDANVYKUNLBFO-GMTAPVOTSA-N 228.286 2.656 30 20 BFED C=C(C)[C@@H](CC(=O)NC[C@H]1CC1(C)C)OCC 339372469 UXILIIYFZGGTPL-VXGBXAGGSA-N 239.359 2.520 30 20 BFED CC#CCN(C)C(=O)C1C[C@H](C)C[C@@H](C)C1 341085075 OKBBZCMCPRTRFP-VXGBXAGGSA-N 221.344 2.540 30 20 BFED CC[C@@H](O)CCCN[C@H](C)c1cccc(C#N)c1 344282156 ASQRUJLGDAFONU-IUODEOHRSA-N 246.354 2.760 30 20 BFED C=C(C)CCNc1ccc(C(C)(C)C(N)=O)cc1 345324399 SDKGTUUSXSBMGC-UHFFFAOYSA-N 246.354 2.828 30 20 BFED C=CCCCCNC(=O)[C@@H]1C[C@H]1C1CC1 347018231 FCCPNXSLDQJHNA-NWDGAFQWSA-N 207.317 2.505 30 20 BFED CC(C)(CCC#N)CN[C@@H]1C[C@H]1C(F)F 348121211 SMTDZGMRCTZUEK-RKDXNWHRSA-N 216.275 2.560 30 20 BFED C[C@@H](NCc1cccc(C#N)c1F)c1ccon1 349194224 CPARZNXUADITSO-SECBINFHSA-N 245.257 2.536 30 20 BFED C=C(C)CCN1CCO[C@@H](Cc2ccccc2)C1 351761111 WSEIGEWGMBEBSO-INIZCTEOSA-N 245.366 2.896 30 20 BFED C=C(C)CN(CC)C(=O)[C@H]1CC12CCCC2 353615367 LBIYEVPRJUOOEV-GFCCVEGCSA-N 221.344 2.991 30 20 BFED N#Cc1csc(CN2CC[C@@H](CC3CC3)C2)n1 354526023 MFJBMYQSPHNKCW-NSHDSACASA-N 247.367 2.637 30 20 BFED CC#CCCCC(=O)NC[C@@H]1CC[C@@H](C)C1 358063836 YTRYQIVMOHXPLR-CHWSQXEVSA-N 221.344 2.732 30 20 BFED C=C(CC)COc1cccc([N+](=O)[O-])c1 358567730 XJWGHZGFNQVCIY-UHFFFAOYSA-N 207.229 2.940 30 20 BFED C=CCCC1(C(=O)NCCCCF)CC1 360820082 VJCLHMABIBHIRF-UHFFFAOYSA-N 213.296 2.599 30 20 BFED C=C(C)CN1CCN(C)c2cc(F)ccc21 362393274 DIELZMMTCXFEKS-UHFFFAOYSA-N 220.291 2.658 30 20 BFED C=C[C@H](C)NC(=O)Nc1nc2ccccc2s1 362495790 ZGPJTORNQWHFOE-QMMMGPOBSA-N 247.323 2.992 30 20 BFED C=C[C@@H](C)NC(=O)N[C@H](C)c1ccc(OC)cc1 362666853 GTKMQNYIDMBWLC-GHMZBOCLSA-N 248.326 2.630 30 20 BFED C=C(C)CCN=c1cc(C(C)(C)C)nc[nH]1 386699749 MQLDISYGTGDHTR-UHFFFAOYSA-N 219.332 2.574 30 20 BFED N#C[C@H]1CCC[C@@H](NC2(C3CC3)CC2)C1 393621633 SERSTPKAJKAKEL-CMPLNLGQSA-N 204.317 2.601 30 20 BFED N#CCc1cc(-c2cccs2)nn1CCF 409443106 HCGVJOMXFLMXCD-UHFFFAOYSA-N 235.287 2.647 30 20 BFED N#CCCSCc1ccncc1Cl 413009034 BCJUCKXOCVQDHY-UHFFFAOYSA-N 212.705 2.882 30 20 BFED C=CC[C@H](CO)CN[C@H](CC)[C@@H]1CC1(C)C 414103027 NDQYZNILUFRSBY-RWMBFGLXSA-N 225.376 2.585 30 20 BFED C[C@@H]1O[C@H](C)C[C@@H]1CNCC(C)(C)CCC#N 414511224 GNABUZSKSNBUCZ-FRRDWIJNSA-N 238.375 2.719 30 20 BFED C=CC[C@H](C)NC(=O)N1C[C@H](C)[C@H](C)[C@H]1C 416691779 RKBUJQLBNCMFHY-FIQHERPVSA-N 224.348 2.637 30 20 BFED C=CCC[C@H](C)NC1CCC(N(C)C)CC1 421381370 ZMQGXACCKJYCFZ-HSBZDZAISA-N 224.392 2.804 30 20 BFED C=C(C)COCCN[C@@H](C)C1(OC)CCCC1 421830775 CBGOVZSMZKGMGO-ZDUSSCGKSA-N 241.375 2.516 30 20 BFED C=CCSCCN[C@@H](C)C1(OC)CCCC1 421844149 NWMXHPXYQNFKNJ-LBPRGKRZSA-N 243.416 2.843 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@@H](CN)CCCC 423294889 DCGAPGCGLUHGTQ-RWMBFGLXSA-N 212.381 2.694 30 20 BFED CC(C)(C)CN(CCC#N)CC[C@@H]1CCOC1 438099402 WOIVORDBFCHWPW-CYBMUJFWSA-N 238.375 2.675 30 20 BFED C=CCCCC(=O)Nc1ccc(OC)cc1O 442700180 PBHGEUYELSSMSZ-UHFFFAOYSA-N 235.283 2.696 30 20 BFED C=CCN(CCOC)CC1=CCCCC1 450840420 XTSBEKAJFZQGDA-UHFFFAOYSA-N 209.333 2.621 30 20 BFED C=C(C)CCN[C@H](C(=O)OC(C)C)C(C)C 451589474 KZTDDTLGKYSHSU-LBPRGKRZSA-N 227.348 2.518 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccccc1OC 453349873 ISPSIAAQTVYBKT-YUTCNCBUSA-N 247.338 2.689 30 20 BFED CCC(C)(C)OCCN[C@@H]1CCC[C@@H](C#N)C1 453404076 HJRKVBJTULKOAK-CHWSQXEVSA-N 238.375 2.864 30 20 BFED CC#CCN(CCCO)c1ccc(Cl)cc1 459747168 KSYJHUSPDYOEGO-UHFFFAOYSA-N 237.730 2.552 30 20 BFED C=C(C)CCN1CC[C@@H](O)[C@H](C2CCCC2)C1 459795698 OPEFOOGUMHSGKK-LSDHHAIUSA-N 237.387 2.826 30 20 BFED C=CCCCCNC(=O)N1C[C@H](C)[C@@H](C)C1 472867227 DNRGRWIIFCLJTA-RYUDHWBXSA-N 224.348 2.640 30 20 BFED CC#CCCNC(=O)[C@@](C)(CC)CCC 476570685 JSWRHDDEXVCSKD-ZDUSSCGKSA-N 209.333 2.732 30 20 BFED CC#CCCNC(=O)N[C@@H]1CCC[C@@H](CC)C1 483087184 ITQYDJXGHOSGGV-CHWSQXEVSA-N 236.359 2.668 30 20 BFED C=CCCN(C)C(=O)[C@@H]1CCCCCC(=O)C1 487448429 XWAWTTVFJGDYFR-GFCCVEGCSA-N 237.343 2.560 30 20 BFED C=CCn1cccc1C(=O)N1C[C@@H](C)C[C@@H]1CC 488730664 IPDIBAIFGIUQBF-STQMWFEESA-N 246.354 2.935 30 20 BFED C#CCN(CC[C@H]1CCOC1)Cc1ccccc1 491617829 BUEAVDWKFHCWPH-INIZCTEOSA-N 243.350 2.548 30 20 BFED C#C[C@@H](CCC)NC(=O)c1cnc(C2CC2)s1 491628680 OUHRSSLGZJNSAE-JTQLQIEISA-N 248.351 2.552 30 20 BFED C/C=C/C=C/C(=O)NCC(C)(C)CCC#N 492900067 WICREZLFPDYCAQ-DVBIZMGNSA-N 220.316 2.565 30 20 BFED C[C@@H](NC(=O)OCC1CC1)c1ccc(C#N)cc1 495902491 BTROPHGMXWNYDB-SNVBAGLBSA-N 244.294 2.755 30 20 BFED C=C(C)CN(CC)C(=O)N[C@H]1CCC1(C)C 512386570 HCKHARXNMUVMIX-NSHDSACASA-N 224.348 2.783 30 20 BFED CCC[C@@H](C)CC(=O)N(CCC#N)C(C)C 522585503 PQDZBTFPRFHMMK-GFCCVEGCSA-N 224.348 2.963 30 20 BFED CCC(C#N)(CC)c1nc([C@H]2C[C@@H]2C)no1 528141068 PAMPPLKEQMOYET-IUCAKERBSA-N 219.288 2.774 30 20 BFED C[C@H]1CCN(C(=O)CC#N)c2ccccc2S1 547467647 HNEAQPHVRBOAMS-JTQLQIEISA-N 246.335 2.818 30 20 BFED C=C(C)CNC(=O)C[C@H]1CCCC[C@H]1C 548637771 DKACIJNRQPQFAA-VXGBXAGGSA-N 209.333 2.895 30 20 BFED C=CCCCCN1CCC[C@H]1CN1CCCC1 560187104 JQBLYDYVQAUGPW-HNNXBMFYSA-N 236.403 2.903 30 20 BFED CCCc1ccc(CN2CC(C)(C#N)C2)cc1 563116300 PVYWSZAATCDEPC-UHFFFAOYSA-N 228.339 2.985 30 20 BFED C=CCCCCN[C@]1(C)CCO[C@H]1C1CC1 580814862 HQYSIFNGZUTWCG-UONOGXRCSA-N 223.360 2.890 30 20 BFED N#CCCCCCc1nc(C2CCC2)no1 589090475 YOGKYFFZBXLSRE-UHFFFAOYSA-N 219.288 2.964 30 20 BFED N#CCCCC(=O)N1CC[C@@H]1c1cccc(F)c1 589705704 ZRBOAFYPXZJTNC-CYBMUJFWSA-N 246.285 2.793 30 20 BFED N#Cc1ccsc1NC(=O)[C@@]12CCC[C@@H]1C2 591505469 OWYGQIBDSHLVPV-BXKDBHETSA-N 232.308 2.748 30 20 BFED N#Cc1ccc(CN[C@@]23CCC[C@@H]2C3)cc1F 594949694 HBGBGNWZWMZMJY-TZMCWYRMSA-N 230.286 2.730 30 20 BFED CC[C@@H](C)CCNC(=O)c1cc(C#N)oc1C 597976850 DMYUWJRBTWTWHP-SECBINFHSA-N 234.299 2.626 30 20 BFED C[C@@H](CC1(C#N)CCOCC1)NC1CCCC1 602503020 KBCUXXVLPHICAO-LBPRGKRZSA-N 236.359 2.618 30 20 BFED CCc1cccnc1NC[C@H](C)CCC#N 602594913 SJEBRHMNZDIUAE-LLVKDONJSA-N 217.316 2.996 30 20 BFED CCC(CC)N(CC)Cc1cccc(C#N)n1 602662005 AMMQECRDUBBHPC-UHFFFAOYSA-N 231.343 2.964 30 20 BFED CC(C)CN(CC#N)CCc1ccc(F)cc1 604493544 CWYKVRYSKNOQAV-UHFFFAOYSA-N 234.318 2.850 30 20 BFED CC(C)C[C@H](C#N)NC(=O)CC1=CCCCC1 609306826 DQFHLPMXCFCTGH-CYBMUJFWSA-N 234.343 2.931 30 20 BFED CC[C@H](CC#N)NC(=O)c1cc2ccsc2[nH]1 613037800 YWMNQTSUXNHWGN-SECBINFHSA-N 247.323 2.651 30 20 BFED CC/C=C/CCN1CCC[C@](C)(C#N)C1 613481835 HUDMLTWSVPICEW-MUBLQREKSA-N 206.333 2.968 30 20 BFED C=CC(C)(C)C(=O)N1C[C@@H]2CCCC[C@@H]21 616722678 JIOHLFWTNNNCMK-QWRGUYRKSA-N 207.317 2.600 30 20 BFED COC(=O)c1cccc(NC[C@H](C)CCC#N)c1 618888507 VVGUDIPCAHMKDM-LLVKDONJSA-N 246.310 2.825 30 20 BFED C=C(CC)CN1Cc2cccc(OC)c2C1 626022989 ROMACZDYBIHKEB-UHFFFAOYSA-N 217.312 2.977 30 20 BFED CC#CCCNC(=O)N(C)[C@@H](C)CCCC 642754915 VXZMZFNGPDZCFX-LBPRGKRZSA-N 224.348 2.620 30 20 BFED C=CCCNc1ncc(Cl)c(OCC)n1 664226839 SDKVWQRFUWZKCL-UHFFFAOYSA-N 227.695 2.517 30 20 BFED C=CCCNC(=O)Nc1cccnc1OC(C)C 665619426 XJGKZGHSZLNEOP-UHFFFAOYSA-N 249.314 2.566 30 20 BFED C=CCN(CC=C)C(=O)NCCCc1ccco1 667172772 REQPKCOCCDUKKZ-UHFFFAOYSA-N 248.326 2.596 30 20 BFED C#CC1CCN(C(=O)C2C(C)(C)C2(C)C)CC1 692286643 GCXMMZDTWBHCID-UHFFFAOYSA-N 233.355 2.540 30 20 BFED N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1C=CCC1 698279945 YCYSYOZDHJCVAZ-JTQLQIEISA-N 229.239 2.597 30 20 BFED C=CCCCOc1ccc2c(c1)CNC2 713040912 AFRBGGRFSNUZHC-UHFFFAOYSA-N 203.285 2.635 30 20 BFED C=CCCOC(=O)C(F)(F)c1ccccc1 729072578 OTNHUWJPRPVXLM-UHFFFAOYSA-N 226.222 2.898 30 20 BFED C#CCN(Cc1ccc(OCC)cc1)C(C)C 746153835 HNGNYRYBQNKBRS-UHFFFAOYSA-N 231.339 2.929 30 20 BFED C[C@H]1OCCC1=NNCc1ccc(Cl)cc1 747766752 WRRURNJXKDJJPA-SECBINFHSA-N 238.718 2.594 30 20 BFED COc1ccc(C=NOCC2CCC2)cc1OC 753821285 GJHBTDGCOZLUKG-UHFFFAOYSA-N 249.310 2.854 30 20 BFED C=C[C@H](C)NC(=S)Nc1ccc(C(C)=O)cc1 756799991 WGVBBYRPRJAETE-VIFPVBQESA-N 248.351 2.750 30 20 BFED C[C@H]1C[C@H]1C=NNc1cnnc2ccccc12 758370326 NJNAAVFEINAOIF-UWVGGRQHSA-N 226.283 2.684 30 20 BFED C#CCC(C)(C)C(=O)N[C@H](C)c1c(C)noc1C 767078315 YDJHSWJQVLHERR-SECBINFHSA-N 248.326 2.518 30 20 BFED C#CCC(C)(C)C(=O)N1C[C@H](C)CC(C)(C)C1 767100858 YQRRTWQYWARDJR-GFCCVEGCSA-N 235.371 2.931 30 20 BFED CON=Cc1c(C)nn(-c2ccc(F)cc2)c1C 767491709 XSUOLSFLSJMLTI-UHFFFAOYSA-N 247.273 2.609 30 20 BFED C=CC[C@@H]1N(C(=O)C2=COCC2)CCCC1(C)C 768096174 BNSXZVAVIFCTLJ-ZDUSSCGKSA-N 249.354 2.884 30 20 BFED CCc1ccc(C=NNCC(F)(F)F)s1 769810394 MQHDJRKQYONXJI-UHFFFAOYSA-N 236.262 2.796 30 20 BFED C#CCOc1ccc(CN(CC)CCC)cc1 771935750 UYTNGTKNKPNURG-UHFFFAOYSA-N 231.339 2.931 30 20 BFED Cn1ccc(/C=C/C(=O)c2ccc(F)cc2F)n1 773155200 SWLAQQLCLNTTTF-HWKANZROSA-N 248.232 2.594 30 20 BFED C#C[C@H](C)NC(=O)NCc1cccc(C(C)C)c1 773586944 GXHVXMKSTGUQCO-LBPRGKRZSA-N 244.338 2.631 30 20 BFED Cc1c[nH]cc1C(=O)O[C@H](C#N)C1CCCCC1 776378014 HNNLQPSCEOAXLY-CYBMUJFWSA-N 246.310 2.952 30 20 BFED C=CCN(CCC(=O)C1CC1)CCc1ccco1 778996937 WWWRYOSDPXSAEX-UHFFFAOYSA-N 247.338 2.679 30 20 BFED N#CC1CCN(C[C@@H]2CCc3ccccc32)CC1 780286494 OALDCICUEHUADX-HNNXBMFYSA-N 240.350 2.952 30 20 BFED CC#CCCOC(=O)c1cc2ccccn2c1 785995390 GCNKBADXZTXJCH-UHFFFAOYSA-N 227.263 2.510 30 20 BFED C#CCOC(=O)C[C@H](C)c1c[nH]c2ccccc12 786323354 BIFJYTIADLCVHX-NSHDSACASA-N 241.290 2.838 30 20 BFED CCCC[C@H]1CCCC1=NN[C@H]1CCOC1 788452147 KIJCQFSTRZMGLW-RYUDHWBXSA-N 224.348 2.711 30 20 BFED CC(=NNC[C@H](C)C#N)C1CCC(F)(F)CC1 788720858 WWNHWFGXGXIPAR-SECBINFHSA-N 243.301 2.937 30 20 BFED C=C(CC)COC(=O)Cc1ccc(Cl)cn1 792706292 XRQCNDYYDLZUBD-UHFFFAOYSA-N 239.702 2.787 30 20 BFED CC(=NNCC1(C)CCCC1)[C@H]1CCCOC1 793082475 ZEQGAAUOUHCAKR-ZDUSSCGKSA-N 238.375 2.959 30 20 BFED COCCCC(C)=NNCC1(C)CCCC1 793084986 SMJXJCMJBUDNHV-UHFFFAOYSA-N 226.364 2.959 30 20 BFED CC[C@@H](C)CON=C(C)CCCOC 793158443 GLLJATIRHBYUMK-SNVBAGLBSA-N 201.310 2.852 30 20 BFED CC(C)[C@H](NCCCC#N)[C@H](O)c1ccccc1 794606830 SAALIKDDUOMZJP-LSDHHAIUSA-N 246.354 2.638 30 20 BFED CC(=NNc1ccc(F)cn1)c1ccnc(F)c1 794909546 TWVBXSNPOXCLPN-UHFFFAOYSA-N 248.236 2.591 30 20 BFED C[C@H]1CCCC[C@H]1C=NNc1cncnc1 794979788 SWZIGWRBPAWWMB-QWRGUYRKSA-N 218.304 2.701 30 20 BFED COCCCON=Cc1cc(C)ccc1C 795042768 YCISSKYAYWOKCO-UHFFFAOYSA-N 221.300 2.690 30 20 BFED C=CCCC(=NOCCCOC)C1CC1 795044060 ISENUOZZGJUQMX-UHFFFAOYSA-N 211.305 2.772 30 20 BFED CC(C)C[C@H](C)COC(=O)c1ccc(C#N)o1 796126502 AKVDAROAMFNRFW-JTQLQIEISA-N 235.283 2.990 30 20 BFED CC[C@@](C)(C#N)C(=O)OCCCC(C)C 796835344 AMTLNXYAPHMFRF-LBPRGKRZSA-N 211.305 2.906 30 20 BFED CCOCCON=C(C)c1cc(C)c(C)o1 799885304 DQIQHIDEXQGRIN-UHFFFAOYSA-N 225.288 2.674 30 20 BFED Cc1nc(C#N)c(NN=C[C@H](C)C(C)(C)C)o1 800810965 BCHAGYYYGMNYKO-QMMMGPOBSA-N 234.303 2.935 30 20 BFED C=CCCCCCCNC(=O)[C@H](OC)C(C)C 805221880 XEGOGITYZXYXME-CYBMUJFWSA-N 241.375 2.910 30 20 BFED Clc1ccc(C=NN[C@@H]2CCSC2)s1 807999951 CPMWOEYKEUPIBC-SSDOTTSWSA-N 246.788 2.831 30 20 BFED Cc1ccc([C@H](C)C(=O)N[C@@]2(C#N)CC2(C)C)o1 813300876 OWJFKLJRLVSZMY-IINYFYTJSA-N 246.310 2.500 30 20 BFED CCOc1ccc(C=NOCC2CC2)cc1F 814241375 JYGXQWDUONUSQQ-UHFFFAOYSA-N 237.274 2.985 30 20 BFED c1cc(CCNN=C2CC[C@H]2C2CCC2)ccn1 814924987 KUDNQODNRWGAFZ-AWEZNQCLSA-N 243.354 2.780 30 20 BFED C=CCC(F)(F)C(=O)N1CCCC(C)(C)C1 815586899 VAYNHLYPNPKSJN-UHFFFAOYSA-N 231.286 2.846 30 20 BFED C#CCC[C@@H](C)OC(=O)c1cc[nH]c1CCC 817741261 JPJKSRHXZZHJLJ-LLVKDONJSA-N 233.311 2.926 30 20 BFED C=C[C@H](CC)CC(=O)N[C@@H](C)c1cnn(CC)c1 821885590 JKIKBVAALVYODA-NWDGAFQWSA-N 249.358 2.683 30 20 BFED C[C@H](C#N)Oc1ccc(CN2CC[C@H](F)C2)cc1 824572491 XWIPPMRTUWFNCW-YPMHNXCESA-N 248.301 2.521 30 20 BFED C=CCCN[C@@H](c1ccccc1)[C@H](C)C(=O)O 825676040 PSIGQIOLGAJUII-WCQYABFASA-N 233.311 2.614 30 20 BFED CC[C@H](C)[C@H](C=NNc1ccc(C)cn1)OC 834953987 HUVNGMAIPUZMAH-RYUDHWBXSA-N 235.331 2.849 30 20 BFED CC(=NNc1ccncn1)C1CCCCC1 835002401 PTIQHLHNOWYTMK-UHFFFAOYSA-N 218.304 2.845 30 20 BFED CCC(=NOC(C)C)c1cccc(N)c1 835003249 XBGZXZDPJJCRLQ-UHFFFAOYSA-N 206.289 2.808 30 20 BFED CCOC(=O)C(C)(C)ON=C(C)[C@@H](C)CC 835004374 RTBKYURTZZHURX-VIFPVBQESA-N 229.320 2.767 30 20 BFED N#Cc1ccc(OC(=O)C[C@@H]2CC[C@H]3C[C@H]23)cc1 835046702 MCXLPAKBMHMSSZ-OBJOEFQTSA-N 241.290 2.900 30 20 BFED CC[C@@](C)(NC(=O)C#CC1CC1)c1ccccc1 837404092 JAGSXAVVYULLOM-MRXNPFEDSA-N 241.334 2.841 30 20 BFED CCc1onc(C)c1NC(=O)C#CC(C)(C)C 837499254 PIMXAZYECLMMRK-UHFFFAOYSA-N 234.299 2.533 30 20 BFED CC(C)[C@]1(C)C[C@@H]1NC(=O)C#CC(C)(C)C 838037952 NWHXIFKNLSHPAJ-FZMZJTMJSA-N 221.344 2.587 30 20 BFED C[C@@H](C#N)N(C)C(=O)C(C)(C)C1CCCCC1 839367089 ORJQDOKCHZXXDY-NSHDSACASA-N 236.359 2.963 30 20 BFED CC(C)CN(CCC#N)CCc1cncs1 839495713 UOLVPRXAYSIYBS-UHFFFAOYSA-N 237.372 2.557 30 20 BFED C=C[C@H](OC(=O)[C@H](CC)OCC)C(C)(C)C 842347883 BMTCYKOKTFLUEW-QWRGUYRKSA-N 228.332 2.945 30 20 BFED C#CC1CCN(C(=O)/C=C(/C)CCC)CC1 843708239 WXOLJIYCRCNILW-QXMHVHEDSA-N 219.328 2.605 30 20 BFED C=C(C)c1cccc([C@H](O)CC(=O)OCC)c1 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30 20 BFED C=C(CC(C)C)C(=O)N[C@H]1C[C@H](C)n2ccnc21 1347148957 PWBOMOPEOFMFHB-RYUDHWBXSA-N 247.342 2.607 30 20 BFED C#CC[C@H](C)OC(=O)[C@@H]1CCC[C@H]1CC 1347217590 KDOLNAFGISRRJQ-QJPTWQEYSA-N 208.301 2.768 30 20 BFED C=C(CC)C(=O)N(C)[C@H]1CCc2ccccc2C1 1347359020 UAJQNOBGYOTGIS-HNNXBMFYSA-N 243.350 2.969 30 20 BFED CC1(CC(=O)NCCC#C[Si](C)(C)C)CC1 1350820449 YAPMOZUNGSCYQW-UHFFFAOYSA-N 237.419 2.564 30 20 BFED C=C[C@H](CC)CC(=O)O[C@@H](CC)CCOC 1517457405 IGQMZTUZQVERCR-NEPJUHHUSA-N 228.332 2.947 30 20 BFED C=C(CC)C(=O)N1C[C@H](C)CCC[C@H]1C 1519615794 PJSHTSRTBOESHW-ZYHUDNBSSA-N 209.333 2.990 30 20 BFED C=CCCCN[C@@H](C(=O)O)c1cccc(C)c1 1588459754 BVFWTBIUJWIEAV-CYBMUJFWSA-N 233.311 2.677 30 20 BFED N#CCc1cccc(Nc2ncnc3[nH]ccc23)c1 1642699904 OSXUYUFRCQXTPT-UHFFFAOYSA-N 249.277 2.768 30 20 BFED C=C(CC)CN1c2ccccc2C[C@@H]1CC(=O)O 1776141512 RKQLOMMJBAJSBA-CYBMUJFWSA-N 245.322 2.859 30 20 BFED C=CCC[C@H](C)N1CC[C@@H](CCC(=O)O)C1 1776166026 MYIRNWBPTNQKCD-NWDGAFQWSA-N 225.332 2.528 30 20 BFED 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2.929 30 20 BFED C=CCN(C(=O)c1cc2ncccc2o1)C1CC1 935224316 MQGGAFUXGROXML-UHFFFAOYSA-N 242.278 2.618 30 20 BFED C=C(CC)COC(=O)CC#Cc1ccccc1 1116462057 HETNLHVHGITYJV-UHFFFAOYSA-N 228.291 2.938 30 20 BFED C=CCCN[C@H](C)C[C@H](C)NC(=O)CCCC 1133769418 OBTKGXMFINJYQG-OLZOCXBDSA-N 240.391 2.626 30 20 BFED C=CCC[C@@H](C)NCCCC[C@H](C)NC(C)=O 1168687225 GABVEROUGQJADE-OLZOCXBDSA-N 240.391 2.626 30 20 BFED CCON=Cc1ccc(N2CCCC2)cc1 1317827878 WKNVGFPUPQJHFI-UHFFFAOYSA-N 218.300 2.657 30 20 BFED C=C[C@H](COC)NCc1ccc(C(F)F)cc1 1321202098 FPNJXJVMMDGFDO-GFCCVEGCSA-N 241.281 2.915 30 20 BFED CC(C)CON=C1CCN(C)c2ccccc21 1321819843 VLTPPJUEHAJTIX-UHFFFAOYSA-N 232.327 2.903 30 20 BFED CC(C)[C@@H](C#N)C=NOCc1ccccc1 1322872482 QXVGRHQGBRMDQW-ZDUSSCGKSA-N 216.284 2.985 30 20 BFED C[C@@H](CC1CCCCC1)C(=O)N1CC(C#N)C1 1324313560 WYGGLEDKBAJTEC-NSHDSACASA-N 234.343 2.575 30 20 BFED N#CC1(COc2cnc(F)cc2Cl)CC1 1327854371 DSAQGTOHFVVDEK-UHFFFAOYSA-N 226.638 2.557 30 20 BFED N#CC[C@@H]1CCCN(Cc2cccn2C2CC2)C1 1327877226 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211.374 2.521 30 20 BFED C#CCCCC(=O)NCc1ccccc1CC 192133948 IJZBNCAPYZSYBQ-UHFFFAOYSA-N 229.323 2.669 30 20 BFED N#CCCCOC(=O)c1cccc2c1CCC2 194865510 FTKQEGTVOAGHEX-UHFFFAOYSA-N 229.279 2.636 30 20 BFED C=CCN(CC=C)[C@@H](C(=O)OC)c1ccccc1 212691721 LSBOQWOXNNPNOA-CQSZACIVSA-N 245.322 2.575 30 20 BFED CC1(CNCc2ccc(C#N)s2)CC1 226267138 INMYEWKRABYPCO-UHFFFAOYSA-N 206.314 2.509 30 20 BFED C#C[C@@H](CC)NCc1cc(F)c(F)c(F)c1 229896444 YXKRTGHPQZNSDG-VIFPVBQESA-N 227.229 2.605 30 20 BFED C#C[C@@H](CC)NC[C@H]1CCOc2ccccc21 229964475 QLGOVQDIAVRKMI-OLZOCXBDSA-N 229.323 2.554 30 20 BFED COc1ccc(/C=C\C(=O)c2ccco2)cc1O 255847177 OARKTGYZPUYUPO-XQRVVYSFSA-N 244.246 2.890 30 20 BFED Cc1ccc(C(=O)N2CCC(CC#N)CC2)s1 259762387 HJXNIVUDVIDKKY-UHFFFAOYSA-N 248.351 2.822 30 20 BFED C=CCN/C(=N/CC)N1CC[C@H](CC(C)C)C1 262421027 BAWOVVMFSBKGPB-CYBMUJFWSA-N 237.391 2.506 30 20 BFED Cc1ccc(C(=O)N(CCC#N)CC2CC2)s1 264112315 VSZYCECXTJNSMW-UHFFFAOYSA-N 248.351 2.822 30 20 BFED C#CCN(CC)C(=O)Nc1cccc(OCC)c1 267347581 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2.641 30 20 BFED FCC[C@H]1CCCC1=NNCCc1ccccn1 794938065 NKJMQWKQZNJROM-GFCCVEGCSA-N 249.333 2.729 30 20 BFED N#Cc1cc2ccccc2nc1NCC1(C#N)CC1 797439858 YXRYQVXIUSWWHE-UHFFFAOYSA-N 248.289 2.822 30 20 BFED C/C(=C\C(=O)NCC1(CC#N)CC1)C(C)(C)C 797562846 PCJZMJHTOJMXSG-PKNBQFBNSA-N 234.343 2.789 30 20 BFED CCc1cc(C#N)ccc1OC(=O)/C=C/SC 799441521 XPEUUHQRDHJDBJ-VOTSOKGWSA-N 247.319 2.903 30 20 BFED N#Cc1sc(N2CCC[C@H]3C[C@H]32)nc1Cl 804784423 OLAOULRGUXOULU-NKWVEPMBSA-N 239.731 2.657 30 20 BFED C=CCCOC(=O)C1(C(F)F)CCCC1 808647106 RIAXEDDVWGOWOA-UHFFFAOYSA-N 218.243 2.931 30 20 BFED CCc1ccc(C#CC(=O)NCC(C)(C)C)cc1 814619693 TUBYMABVKOSNSQ-UHFFFAOYSA-N 243.350 2.763 30 20 BFED CCCNN=Cc1c(C)c2ccccc2n1C 814804390 MRHGOBDHKCWYEC-UHFFFAOYSA-N 229.327 2.820 30 20 BFED CC(=NOC1CCCCC1)c1c[nH]nc1C 814908837 BLXCWBHRYNSOCK-UHFFFAOYSA-N 221.304 2.791 30 20 BFED C=CCC(F)(F)C(=O)OCc1scnc1C 815314524 WDBIAYWSPSAUEC-UHFFFAOYSA-N 247.266 2.706 30 20 BFED C#C[C@@H](C)NC/C(C)=C\c1ccccc1COC 816607083 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C=CCONC(=O)Nc1ncsc1C(C)C 836623388 MNZZECINKSGDPX-UHFFFAOYSA-N 241.316 2.506 30 20 BFED C[C@@H](NC(=O)C#CC(C)(C)C)c1cccc(O)c1 837486422 ZKMWCERGGARLJF-LLVKDONJSA-N 245.322 2.619 30 20 BFED C=CCCCOC(=O)Cn1cc2ccccc2n1 837967761 STJDNBLIQCXRII-UHFFFAOYSA-N 244.294 2.546 30 20 BFED CN(C(=O)C#Cc1ccccc1)C1CC(C)(C)C1 838147769 DBKMPKIUKSGESE-UHFFFAOYSA-N 241.334 2.685 30 20 BFED C[C@H](OC(=O)C#CC1CC1)c1ccc(F)cc1 838367023 AIRYPTWDBUIHLZ-JTQLQIEISA-N 232.254 2.843 30 20 BFED C=CCONC(=O)N1CCC[C@H]1c1ccccc1 838701607 DINJBLJSKAEJSX-ZDUSSCGKSA-N 246.310 2.651 30 20 BFED C#CCC[C@H](C)OC(=O)C=C1CCCC1 839036384 UNSNGCPAYRNMDD-NSHDSACASA-N 206.285 2.832 30 20 BFED CCC(=NNc1ccc(C(=O)O)nc1)[C@H]1C[C@@H]1C 841641123 NWFODWKMYBBALS-WPRPVWTQSA-N 247.298 2.614 30 20 BFED Cc1cc(CNCC2(C#N)CCC2)cnc1Cl 841898310 MONVNPMKXQUGMQ-UHFFFAOYSA-N 249.745 2.827 30 20 BFED CCCON=C1CCOc2c(F)ccc(F)c21 842554170 OCEPVGCJQYJCEH-UHFFFAOYSA-N 241.237 2.878 30 20 BFED CC(C)(C#N)COC(=O)C1CC2(CCC2)C1 842754591 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2.565 30 20 BFED CCCCCCCNC(=O)Nc1ncccn1 888707282 AGPNHCQVLIVZIK-UHFFFAOYSA-N 236.319 2.569 30 20 BFED C=C1CCC(C(=O)Nc2c(C)c(C)nn2C)CC1 888842877 OFIUPZSKWFURPO-UHFFFAOYSA-N 247.342 2.722 30 20 BFED C=CC(C)(C)CC(=O)NCCc1cccnc1C 890829850 NNLHEWBSNWKILN-UHFFFAOYSA-N 246.354 2.651 30 20 BFED Cc1ncccc1CCN[C@@H]1CCC[C@@H](C#N)C1 898252320 BFSQQTFZUHFAPN-UKRRQHHQSA-N 243.354 2.605 30 20 BFED COc1ccc(C=NOCC(F)F)c(C)c1 901216956 IHSOAFRJABBVKM-UHFFFAOYSA-N 229.226 2.619 30 20 BFED CCC[C@H](C)C(=O)N(O)Cc1ccc(F)cc1 901379364 WCEPSOAYBMZTLC-JTQLQIEISA-N 239.290 2.980 30 20 BFED C=C[C@H](CC)CC(=O)OCc1nc(C)c(C)o1 904416741 QORVOIOWIGOBRJ-LLVKDONJSA-N 237.299 2.937 30 20 BFED Cc1cc(C#N)cc(NC(=O)CCC2(C)CC2)n1 905857914 HMKFKJLZXVKSDQ-UHFFFAOYSA-N 243.310 2.781 30 20 BFED C=CCN(C(=O)COc1ccc(C)cc1)C(C)C 915147550 BGMORLZDUIHYEX-UHFFFAOYSA-N 247.338 2.797 30 20 BFED C=CCOCCSc1cc(C)ccn1 918816672 ZRJGHIBTEGWOHG-UHFFFAOYSA-N 209.314 2.685 30 20 BFED Fc1cc(F)cc(NN=Cc2cccnc2)c1 920376463 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C=C(C)CCC(=O)OCc1ccc2c(c1)OCO2 1342313301 CRXGRJHSCKPEAX-UHFFFAOYSA-N 248.278 2.815 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCCC(C)(F)F 1344567473 FJPQTQAPGFXSKG-UWVGGRQHSA-N 248.269 2.556 30 20 BFED C=C1CCN(c2ccc(OC(F)F)cn2)CC1 1347989411 CCRAUDTVYLKHTQ-UHFFFAOYSA-N 240.253 2.839 30 20 BFED C=C[C@@H](C(=O)N1CC[C@@H](F)C1)c1ccccc1 1352261702 ILSLFWOPQKALON-CHWSQXEVSA-N 233.286 2.527 30 20 BFED C#Cc1ccc(NCc2nc(C3CC3)no2)cc1 1356044760 GUHPYUNYPHGCIG-UHFFFAOYSA-N 239.278 2.540 30 20 BFED C[C@H](CCN=c1cc[nH]c(C#N)n1)CC(C)(C)C 1472758245 IKUMHGBJQPAQBZ-LLVKDONJSA-N 246.358 2.644 30 20 BFED C[C@@]1(COC(=O)c2csc(C#N)c2)C[C@@H]1F 1518390183 XFSZZQSSUABCKN-ONGXEEELSA-N 239.271 2.525 30 20 BFED C=C[C@H](CC)CC(=O)OC1(C#N)CCC1 1524905053 FYBCTCMCJMYJAN-SNVBAGLBSA-N 207.273 2.578 30 20 BFED C=CCC[C@@H]1CCCN1c1ccc(C(=O)O)cn1 1588781828 JRNMAVFBXOKHQZ-GFCCVEGCSA-N 246.310 2.715 30 20 BFED Cc1cc([C@@H](C)SCCC#N)oc1C(=O)O 1600142251 ATDGDSADIVPZEZ-MRVPVSSYSA-N 239.296 2.994 30 20 BFED N#Cc1cccc(Sc2cccc(CO)c2)n1 1612908527 RMSOZBZXJDVNJG-UHFFFAOYSA-N 242.303 2.597 30 20 BFED C=C1C[C@@H](C(=O)O)N(C[C@H]2CCC(C)(C)C2)C1 1776148148 KZNVNBHOEJCRDQ-RYUDHWBXSA-N 237.343 2.528 30 20 BFED CCC1(C=O)CCN(C(=O)OC(C)(C)C)CC1 14984810 GRWTYLMQRNNKJE-UHFFFAOYSA-N 241.331 2.613 30 20 BFED CCN(c1ccc(C#N)cn1)C1CCCC1 35766605 JCEKHWAWLJPNLH-UHFFFAOYSA-N 215.300 2.722 30 20 BFED CC(C)[C@H](C)N(C)C(=O)C1(C#N)CCCC1 44317430 YUHLMRJSBDIRBO-NSHDSACASA-N 222.332 2.573 30 20 BFED CC[C@@H](C#N)C(=O)Nc1cccc(C)c1C 44811697 DPRWXISQXMZUFJ-NSHDSACASA-N 216.284 2.792 30 20 BFED CCN(CC#N)C(=O)c1cc2cc(C)ccc2o1 45049506 FARBWBJOLPLOCD-UHFFFAOYSA-N 242.278 2.727 30 20 BFED CC(C)CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 46706178 VICKRYPSRXPOHB-SNVBAGLBSA-N 241.294 2.785 30 20 BFED C=C(Cl)CNCc1ccc(C)s1 50225530 KFHLOJXOKBVOEL-UHFFFAOYSA-N 201.722 2.899 30 20 BFED CCCCNC(=O)Nc1cc(C#N)ccc1C 50266764 PRFDKHPDRKOWAR-UHFFFAOYSA-N 231.299 2.788 30 20 BFED C=C(C)CN(CC)C(=O)c1cccc(OC)c1 57157915 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N#CC[C@@H](O)c1ccccc1C(F)(F)F 85878401 AEOXUVWPTZAITH-SECBINFHSA-N 215.174 2.652 30 20 BFED CC(C)(CCC#N)CNc1ccc(CCO)cc1 86256936 CTJXVNYVHAIVEJ-UHFFFAOYSA-N 246.354 2.963 30 20 BFED Cc1ocnc1CNc1ccc(F)cc1C#N 92692356 BVHHBVRXRKPOFC-UHFFFAOYSA-N 231.230 2.606 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)c1ccc(C)cc1F 94204974 CAKFNSNXAKUTAM-NSHDSACASA-N 248.301 2.756 30 20 BFED CC(C)CC(=O)N(CCC#N)CC(C)(C)C 104626205 FGLALCZZWRGRMU-UHFFFAOYSA-N 224.348 2.821 30 20 BFED C#CCCCOC(=O)[C@H](C)c1ccccc1F 109039234 OLNJIMULCKRSLO-LLVKDONJSA-N 234.270 2.886 30 20 BFED CC(C)(C)c1ccc(C(=O)NC2(C#N)CC2)cc1 115153588 GZEWXJTUWIDMFZ-UHFFFAOYSA-N 242.322 2.770 30 20 BFED CC#CCN[C@@H](C)[C@@H](C)c1ccccc1 119413553 YXIQABMNYGZGSH-OLZOCXBDSA-N 201.313 2.792 30 20 BFED C=CCCC(=O)NC(C#N)(CCC)CCC 126230958 KZUKVSZVLFGMLW-UHFFFAOYSA-N 222.332 2.931 30 20 BFED Cc1noc(C)c1[C@H](C)Nc1ccc(C#N)nc1 129708764 GOBIQMJMJWXTDZ-QMMMGPOBSA-N 242.282 2.731 30 20 BFED C=C(C)CN[C@H](C)CC(=O)Nc1ccccc1 130852946 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BFED CC#CCCN(C)Cc1cccc(N(C)C)c1 156776897 OXZHIKJEZVQWIG-UHFFFAOYSA-N 230.355 2.598 30 20 BFED N#Cc1ccc(F)cc1CN1CCCCC1 157724411 RKBHHDNYMFLNBC-UHFFFAOYSA-N 218.275 2.683 30 20 BFED C[C@H](C1CC1)N(C)Cc1cc(C#N)cs1 158103907 GJROIUJMBYACFU-SECBINFHSA-N 220.341 2.850 30 20 BFED C=CCN(CC=C)Cc1ccc2cn[nH]c2c1 158123031 UBCMOHOGBIZEPU-UHFFFAOYSA-N 227.311 2.737 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@@H](CO)Cc1ccccc1 158222869 ZJGAPQFWHFCDSP-OFQRWUPVSA-N 247.382 2.780 30 20 BFED C=CCCC(=O)N(C)CCOCc1ccccc1 159454989 XQPFSFIHTODQRO-UHFFFAOYSA-N 247.338 2.628 30 20 BFED C=CC1CCN(Cc2cnc3ccccn23)CC1 160341529 GSKKKXWEATWCDT-UHFFFAOYSA-N 241.338 2.732 30 20 BFED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)CCC#N 162862407 XOZBZEPANCYNSA-MNOVXSKESA-N 248.351 2.532 30 20 BFED C#CCCCOC(=O)c1ccc(C)c(OC)c1 170714620 XBRMRJHIVWAXBN-UHFFFAOYSA-N 232.279 2.574 30 20 BFED C=CCCCN(C)CC(=O)Nc1ccc(C)cc1 172173269 LRAUOCKEFDQSHO-UHFFFAOYSA-N 246.354 2.832 30 20 BFED C=CCCN1c2ccccc2OC[C@@H]1C 173805749 FOQBGLPNHWXAMT-NSHDSACASA-N 203.285 2.850 30 20 BFED C=CCCC(=O)Oc1ccc(OC)c(OC)c1 174842949 HMZPBSNUGGJWRV-UHFFFAOYSA-N 236.267 2.575 30 20 BFED C=C(C)CS[C@H](C)C(=O)N(C)C(C)C 177864791 ZWECTMUHHYRYOT-SNVBAGLBSA-N 215.362 2.551 30 20 BFED C=CCC[C@@H](O)CN(C)c1c(F)cccc1F 178081288 BYJMIHZVOAUBAP-SNVBAGLBSA-N 241.281 2.728 30 20 BFED Cc1nc(CO/N=C2/CCCOCC2)cs1 180480405 WCIXCIWUKOLBQG-RAXLEYEMSA-N 240.328 2.525 30 20 BFED CC[C@@H](NCCCC#N)c1cccc([N+](=O)[O-])c1 181561505 GANAZSOZCNZNDC-CYBMUJFWSA-N 247.298 2.939 30 20 BFED C=CC1CCN(C(=O)CCCC#CC)CC1 185521706 JTROTLSFGCRJMO-UHFFFAOYSA-N 219.328 2.605 30 20 BFED C#CCN1CCC[C@]1(C)Cc1ccccc1 186051041 IRRBFDRCRXXXBK-OAHLLOKOSA-N 213.324 2.717 30 20 BFED C=CCNC(=O)c1c[nH]cc1-c1ccc(C)s1 187309265 JIIXDLVSXRQGSM-UHFFFAOYSA-N 246.335 2.967 30 20 BFED CCc1ccccc1CN(C)[C@@H](C)CC#N 189109506 LFKHOPDNPWXJTH-LBPRGKRZSA-N 216.328 2.983 30 20 BFED CC(C)=CC(=O)N(CC#N)c1ccccc1 195120235 QZNZXFYPILZIRX-UHFFFAOYSA-N 214.268 2.509 30 20 BFED CO[C@H](C)CNc1nc2ccccc2cc1C#N 224221183 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BFED C=CCN(C)Cc1nc2ccc(Cl)cc2n1C 275138019 MZUJKNWMIQLSIT-UHFFFAOYSA-N 249.745 2.845 30 20 BFED C=C1CCN(C(=O)/C=C/c2cccc(O)c2)CC1 275764732 FZRARNPLSCEJMA-AATRIKPKSA-N 243.306 2.584 30 20 BFED C#C[C@H](C)NC(=O)Nc1ccc(SC)cc1 276568371 REXTYZYILMKOEG-VIFPVBQESA-N 234.324 2.552 30 20 BFED C=CCNC(=O)C[C@@H](C)c1c[nH]c2ccccc12 278861271 UKHOYUZKMVMKCK-LLVKDONJSA-N 242.322 2.964 30 20 BFED C#CC[C@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1 285374751 WCUZFOYVRBCNKK-WFASDCNBSA-N 239.322 2.825 30 20 BFED C=CCC[C@@H](NCCCCO)c1ccco1 286931945 ASIGNBLRDVRUPC-GFCCVEGCSA-N 223.316 2.649 30 20 BFED C=CCC(C)(C)C(=O)N(C)Cc1ccccn1 292155886 FCZCQJIZBCNNDY-UHFFFAOYSA-N 232.327 2.642 30 20 BFED N#CCCCC(=O)N1CC[C@@H](c2ccccc2)C1 292271512 IWEMDAGCRPQAOD-CQSZACIVSA-N 242.322 2.696 30 20 BFED C=CCN(CCC#N)[C@@H](C)c1cccnc1 292276543 SONRMJTXSJMDAU-LBPRGKRZSA-N 215.300 2.544 30 20 BFED C=CCC(C)(C)C(=O)Nc1cccc(CO)c1 292351383 FDMPNQVAAOEKSU-UHFFFAOYSA-N 233.311 2.720 30 20 BFED C=CCN(CCC#N)C(=O)C(C)(C)C(C)C 293640804 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C=CCN(C(=O)NC(C1CC1)C1CC1)C1CC1 357570581 NYKQVUIXASBBPY-UHFFFAOYSA-N 234.343 2.535 30 20 BFED CCN(CCC#N)CCOc1cc(C)ccc1C 357908627 KQXUYINYQHAHOG-UHFFFAOYSA-N 246.354 2.918 30 20 BFED CC(C)(C#N)CC(=O)NC[C@H]1CCCC1(C)C 360880239 SLTOPCUMFFWDAF-LLVKDONJSA-N 236.359 2.869 30 20 BFED CC(C)c1occc1C(=O)N[C@H](C#N)C(C)C 361879064 FSKYXSQGJOXYEN-LLVKDONJSA-N 234.299 2.681 30 20 BFED C=C(Cl)CN1CCC[C@@H](OCC2CC2)C1 368792792 QSZPRJDAFPIGCA-GFCCVEGCSA-N 229.751 2.630 30 20 BFED C#Cc1ccc(CN2CCCOC(C)(C)C2)cc1 377545375 XQWNDLHAWSXJPI-UHFFFAOYSA-N 243.350 2.669 30 20 BFED CN(CCOCc1ccccc1)CC(C)(C)C#N 405153219 HHJHVDYQLUXUJH-UHFFFAOYSA-N 246.354 2.685 30 20 BFED C=CCC[C@@H](C)NC[C@H]1NCCCC1(C)C 414923824 GDVODNOREOSHKR-CHWSQXEVSA-N 224.392 2.709 30 20 BFED C=CCCN(C)C(=O)Nc1ccc2c(c1)CCN2 415883155 ZSIYQPVIVGLAJO-UHFFFAOYSA-N 245.326 2.694 30 20 BFED CCc1cc(C#N)ccc1OC[C@@H](CC)OC 419000488 RUGCQEDKHUNIJO-CYBMUJFWSA-N 233.311 2.924 30 20 BFED C=CCCS[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O 419433554 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2.883 30 20 BFED C=C(C)CCOC(=O)Cc1ccc2c(c1)COC2 755710236 WJMVVRBBFICMMK-UHFFFAOYSA-N 246.306 2.769 30 20 BFED CN1CCCC(=NNc2ccccc2F)CC1 758098231 PXRMJCXMTSGXFU-UHFFFAOYSA-N 235.306 2.709 30 20 BFED C1CCCN([C@H]2CCCCC2=NNC2CC2)CC1 758128206 WGPLDGJBVDKXJX-HNNXBMFYSA-N 249.402 2.913 30 20 BFED CC(=NNC1CC1)c1cc2ccccc2o1 758133711 TUUCZYPEMUKRRK-UHFFFAOYSA-N 214.268 2.909 30 20 BFED C[C@@H](/N=C\c1ccccc1O)c1ccc[nH]1 760229054 NRXLXCRLPXEJKH-XBDQXEDDSA-N 214.268 2.900 30 20 BFED CC#CCCOC(=O)COc1ccc(C)c(C)c1 760283416 JWKOPNFYQIOEDK-UHFFFAOYSA-N 246.306 2.639 30 20 BFED C#CCCc1noc(C[C@H](CC)C(C)C)n1 762009654 ACODRLHTUTWAMG-NSHDSACASA-N 220.316 2.860 30 20 BFED CC#CC(=O)N1CCC2(CCCCC2)CC1 764473983 XRXKPDPSQQMYNU-UHFFFAOYSA-N 219.328 2.583 30 20 BFED C#CCN(CC#CC)Cc1ccc(C)s1 769448443 QOUPEEXBZXOFNI-UHFFFAOYSA-N 217.337 2.515 30 20 BFED CC(=NNC[C@@H](C)C#N)c1ccc(C)c(C)c1 771102882 KJJUYSJMUBXCDC-JTQLQIEISA-N 229.327 2.777 30 20 BFED C=CCCC[C@@H](C)OC(=O)c1c[nH]c(C#N)c1 779247464 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CCCC[C@H]1CCCC1=NN(CC)CCO 842535563 QOQKFMZKHYBRPF-LBPRGKRZSA-N 226.364 2.647 30 20 BFED C#C[C@H](NC(=O)[C@H](C)C1CC1)c1ccccc1 843642858 PGIZKHRPKVWWAF-RISCZKNCSA-N 227.307 2.523 30 20 BFED C=C[C@H](C)ONC(=O)[C@H](C)C(CC)CC 846549717 SCXDDDUMMLLXPP-VHSXEESVSA-N 213.321 2.681 30 20 BFED C#CC(C)(C)N(C)Cc1ccc(C)c(OC)c1 846874019 GKPIFAISUHJCOR-UHFFFAOYSA-N 231.339 2.847 30 20 BFED CC[C@@H](CC#N)OC(=O)c1cn(C(C)C)nc1C 847692722 UPQVGVRBIMHVIP-NSHDSACASA-N 249.314 2.622 30 20 BFED C=CCN(C(=S)NCC1CC1)c1ccccc1 849251774 QUVNKMLRYNNDDZ-UHFFFAOYSA-N 246.379 2.964 30 20 BFED C[C@@H](C#N)COC(=O)CC1(C#N)CCCCC1 850899946 ONFXSYPDPNFVEH-NSHDSACASA-N 234.299 2.553 30 20 BFED C#C[C@H](CC)OC(=O)/C=C(\C)c1ccco1 850954788 XUZFIQJIHAXVMX-PBQZMEPESA-N 218.252 2.638 30 20 BFED CS/C=C\C(=O)O[C@@H](C)CC(C)(C)C#N 851209317 KMMRKZFUGFWQLF-UDIARPCQSA-N 227.329 2.735 30 20 BFED C=CC(C)(C)CCOC(=O)/C=C\c1cnn(C)c1 851298428 AXOPLVLRMRKUGK-SREVYHEPSA-N 248.326 2.579 30 20 BFED C=CC(C)(C)CCOC(=O)[C@@](C)(OC)C1CC1 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C=CC1CCN(C(=O)/C=C/c2nccs2)CC1 1120930813 ZSYKLBIUCMYIDN-ONEGZZNKSA-N 248.351 2.581 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)c1ccc(C)c(F)c1 1121161315 QCQQYRPFJDQDPD-LBPRGKRZSA-N 248.301 2.898 30 20 BFED CC[C@H](C#N)N(CC)C(=O)/C(C)=C/c1ccco1 1121161716 WKTNBFQZFKBBPQ-LMMOQWNQSA-N 246.310 2.834 30 20 BFED CCCCCCCN[C@@H]1CCCN(C(C)=O)C1 1169576938 CODLGJVTEPPHJD-CQSZACIVSA-N 240.391 2.557 30 20 BFED C=C[C@](C)(CC)c1nnc([C@@H]2CCO[C@@H]2C)o1 1261578143 UCKUUWLHYAMZCS-GIPNMCIBSA-N 236.315 2.816 30 20 BFED C=C(Br)CNC(=O)C(=C)CC(C)C 1263713371 FGLQTWASSSXVHM-UHFFFAOYSA-N 246.148 2.614 30 20 BFED CC/C=C\CNC(=O)CC#Cc1ccccc1 1327108935 RIOIZOXVABBJFF-CLTKARDFSA-N 227.307 2.511 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)c1cccnc1 1337551913 RZVKBQUIIQWUQO-CYBMUJFWSA-N 230.311 2.652 30 20 BFED Cn1ccc(NN=Cc2cc(Cl)cs2)n1 1343926553 LJSAXVRULUJZEJ-UHFFFAOYSA-N 240.719 2.581 30 20 BFED C#C[C@@H](OC(=O)CCC1(C)CC1)C1CC1 1344520226 RBZUJSDYRHVDNU-LLVKDONJSA-N 206.285 2.522 30 20 BFED C=C(C)C(C)(C)c1nnc(CC2CC2)o1 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236.702 2.716 30 20 BFED C#CCOc1ccc(CNCCCC)cc1 45944683 OYPARXGPQRCCBW-UHFFFAOYSA-N 217.312 2.588 30 20 BFED C=CCNC(=O)N[C@@H](C)c1ccc(C)s1 49241181 NWSCAGSQGJQJAH-VIFPVBQESA-N 224.329 2.603 30 20 BFED Cc1cc(C)cc(CNC[C@@H](C)C#N)c1 54181878 CKZPBIHQHLCRQQ-LBPRGKRZSA-N 202.301 2.553 30 20 BFED C=CCNC(=O)NCC1CCC(CC)CC1 69204652 YSVRCBBOZRRADL-UHFFFAOYSA-N 224.348 2.688 30 20 BFED CCC(CC)C(=O)Oc1ccc(C#N)cc1OC 70670732 BOSYBIONELYQAU-UHFFFAOYSA-N 247.294 2.908 30 20 BFED CC(C)Nc1ncc(Br)cc1C#N 74370310 PUCGQMKUNYVUBR-UHFFFAOYSA-N 240.104 2.536 30 20 BFED CC(C)OC(=O)c1cccc(SCC#N)c1 79752117 KACCLXLPORKBHM-UHFFFAOYSA-N 235.308 2.867 30 20 BFED N#Cc1ccccc1NC(=O)[C@@H]1CCCSC1 82338412 BHJQLEYHOHVURE-LLVKDONJSA-N 246.335 2.640 30 20 BFED CC[C@@H](C#N)OC(=O)[C@@H](C)Cc1cccc(F)c1 84709093 BLJUVIVAQDXGKW-GWCFXTLKSA-N 249.285 2.850 30 20 BFED N#Cc1cc(F)ccc1NC[C@H]1CCCC[C@@H]1O 86015502 QHULCGWDJARLEW-YGRLFVJLSA-N 248.301 2.660 30 20 BFED N#CC1(c2ccc(F)cc2Cl)CC(=O)C1 86035104 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2.668 30 20 BFED Cc1cc(C#N)cc(N2CCCC[C@H]2C)n1 160931072 BDWCFYFTZCCLJL-LLVKDONJSA-N 215.300 2.641 30 20 BFED C=CCN(C)C(=O)C[C@H]1CCC[C@H](C)C1 161614329 VIZTXZIIEMYVHY-RYUDHWBXSA-N 209.333 2.847 30 20 BFED C=CCCNC(=O)[C@H]1CSc2ccccc21 162193037 DTMPCHAQGDXWBV-NSHDSACASA-N 233.336 2.568 30 20 BFED CC(C)(C#N)CN[C@@H]1CCc2cc(F)ccc21 162589517 MLXSLMBEJRSEJV-CYBMUJFWSA-N 232.302 2.952 30 20 BFED CC[C@@H](C(=O)NCC(C)(C)C#N)c1ccccc1 167207927 RZSOYHMUNYWNGN-CYBMUJFWSA-N 244.338 2.846 30 20 BFED C#CCCCOC(=O)C(C)(C)c1ccccc1 170713023 QSJBPNRZJGOWNT-UHFFFAOYSA-N 230.307 2.921 30 20 BFED C=CCCCC(=O)Oc1ccccc1OC 177485330 KWHNTBWPIWXEEK-UHFFFAOYSA-N 220.268 2.957 30 20 BFED C#CCCCCC(=O)NCc1ccc(C)c(F)c1 179670206 IIXLLZDGQNSBRV-UHFFFAOYSA-N 247.313 2.944 30 20 BFED N#Cc1cc(C(=O)Nc2ccccc2Cl)c[nH]1 179852240 CKFZSLNGBUDPMG-UHFFFAOYSA-N 245.669 2.792 30 20 BFED CC#CCCCC(=O)Oc1cccc([N+](=O)[O-])c1 184870567 WGFDFFKEDMYOGP-UHFFFAOYSA-N 247.250 2.694 30 20 BFED C#CCCCNC(=O)C1(CC)CCCCC1 185905714 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Cc1ccnc(Cl)c1OCCCC#N 271494377 FXTJSHVGTKLLEH-UHFFFAOYSA-N 210.664 2.726 30 20 BFED C=CCN(CC(=C)Br)C1CC1 271522029 VVVXUDROVJUFOB-UHFFFAOYSA-N 216.122 2.545 30 20 BFED CC[C@@H](CC#N)Nc1ccc(C(F)(F)F)nn1 273920518 ZLRFCSORUIJREZ-ZETCQYMHSA-N 244.220 2.600 30 20 BFED CCOC1CC(CCNc2ncccc2C#N)C1 276854063 HRFOLGJKBZMCND-UHFFFAOYSA-N 245.326 2.570 30 20 BFED CC1(C)CCCN(C(=O)c2cccs2)[C@H]1C#N 277862172 JZTFIRHGUJUPBD-NSHDSACASA-N 248.351 2.902 30 20 BFED C=CC[C@H](CC)NC(=O)[C@@H](OC)c1ccccc1 281279124 HRPKOHHDQODLLD-KBPBESRZSA-N 247.338 2.845 30 20 BFED C=CCNC(=O)CSC[C@@H](C)CC(C)C 281755092 FXRUZZPSEPLWPY-NSHDSACASA-N 229.389 2.704 30 20 BFED C=CCC[C@@H](C)Nc1ccc2[nH]c(=O)n(C)c2c1 281861531 VMKHGNMHWVIEQH-SNVBAGLBSA-N 245.326 2.633 30 20 BFED CCCC(=O)OCc1cc(C#N)ccc1F 285205307 OTPBYFREKQINKK-UHFFFAOYSA-N 221.231 2.541 30 20 BFED CCN(c1nc(Cl)c(C#N)s1)C(C)C 286533266 YKDIJGIZBNPJMI-UHFFFAOYSA-N 229.736 2.903 30 20 BFED C=C[C@@H](CO)N[C@@H](C)c1cccc(Cl)c1 289716924 JJBUDFRQAOWZDR-CABZTGNLSA-N 225.719 2.538 30 20 BFED CCc1ccc([C@H](C#N)NC(=O)C2CCC2)cc1 290080278 CIIKUCIHJQGOIY-AWEZNQCLSA-N 242.322 2.730 30 20 BFED N#CCCCN[C@@H]1CCCc2ccc(O)cc21 291222849 NNKUABJWISIONV-CQSZACIVSA-N 230.311 2.663 30 20 BFED C=CCN(CCC#N)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 295280417 ILGXXYQRPVGBGI-MELADBBJSA-N 248.370 2.987 30 20 BFED C#CCCCN1CCC=C(c2cccnc2)C1 296043014 STEVIGOTLBNORK-UHFFFAOYSA-N 226.323 2.584 30 20 BFED C#CCO[C@@H](C)c1nc([C@H](C)SCC)no1 296807785 LRIFMMLXYHVLIA-IUCAKERBSA-N 240.328 2.595 30 20 BFED CC1(C#N)CN(Cc2cc(Cl)cs2)C1 297317444 CHSUNWXVIPERED-UHFFFAOYSA-N 226.732 2.747 30 20 BFED COc1ccccc1CN(OC)[C@@H](C)CCC#N 298550140 YPTQIHTYMBHXIN-LBPRGKRZSA-N 248.326 2.751 30 20 BFED CC[C@H](NCCC#N)c1ccc(F)cc1F 299138641 WFVUITKNOWHCJF-LBPRGKRZSA-N 224.254 2.919 30 20 BFED CC(C)c1cnc(NC[C@@H](C)C#N)s1 307751787 PGQQTHSKBXSNAN-QMMMGPOBSA-N 209.318 2.838 30 20 BFED CON=Cc1cc(Cl)cc(Cl)c1 307992558 UMRMZCPZXOQDFW-UHFFFAOYSA-N 204.056 2.974 30 20 BFED C=CCCCCOC(=O)/C=C\SC 308295716 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N#Cc1cccc(Cn2cnc3ccccc32)c1 14214638 LXWMENDLAGLVFJ-UHFFFAOYSA-N 233.274 2.956 30 20 BFED C=CCc1ccc(OC(=O)C(C)C)c(OC)c1 33608019 HWQRDSDZKQARQB-UHFFFAOYSA-N 234.295 2.985 30 20 BFED C=CCN(C(=O)c1ccccc1F)C(C)C 37985295 OXAUPKRDGCPVDN-UHFFFAOYSA-N 221.275 2.862 30 20 BFED C=CCN(CC=C)C(=O)c1ccc(COC)cc1 45000809 QGACBOJPDYIJFI-UHFFFAOYSA-N 245.322 2.647 30 20 BFED CC[C@@H](C(=O)N(CC)CC#N)c1ccccc1 45049371 XXZCQKSHUSWGEZ-CYBMUJFWSA-N 230.311 2.552 30 20 BFED CC#CCOc1ccc(CCC(C)=O)cc1 51663841 GOQZYJLAUZEGLQ-UHFFFAOYSA-N 216.280 2.610 30 20 BFED N#Cc1ccc(OC[C@H]2CCCO2)cc1Cl 61851332 QLLLPBHYWUNLBA-LLVKDONJSA-N 237.686 2.769 30 20 BFED CC(C)N(CC#N)Cc1ccc(F)cc1 70216236 HCGOQTAZHDKGMQ-UHFFFAOYSA-N 206.264 2.560 30 20 BFED C#CCCN[C@@H](c1ccc(OC)cc1)C1CC1 70245959 OXJSJSLYUWRDJZ-OAHLLOKOSA-N 229.323 2.759 30 20 BFED C[C@@H](C#N)Sc1ncccc1Br 70614887 DHDLGZKRFKNLJZ-LURJTMIESA-N 243.129 2.848 30 20 BFED CC(C)(C#N)C(=O)N1CCCc2ccc(F)cc21 77640553 XGWDIPNHJLXFFG-UHFFFAOYSA-N 246.285 2.655 30 20 BFED 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N#Cc1cccc(N[C@H]2CC=CCC2)c1[N+](=O)[O-] 131196563 BBUFWSHUXGSBEZ-NSHDSACASA-N 243.266 2.987 30 20 BFED C=CCSCCNC(=O)[C@@](C)(C=C)CC 134991677 XJUGFQPZTRQVNY-LBPRGKRZSA-N 227.373 2.624 30 20 BFED CSC(C)(C)CNc1cc(C#N)ccn1 135554976 ILDLVSDFPOUNPC-UHFFFAOYSA-N 221.329 2.507 30 20 BFED CC[C@](C)(C#N)C(=O)NC1CCC(C)CC1 136177808 WBHVFPATIIVDJR-GCZXYKMCSA-N 222.332 2.621 30 20 BFED C=C(C)COCCNC(=O)C[C@@H](C)CCC 136183729 ISHHRNSXZOWUOC-LBPRGKRZSA-N 227.348 2.522 30 20 BFED CC#CCCN(Cc1ccco1)C[C@H]1CCCO1 155211247 XYYOIQTVNHHZJY-OAHLLOKOSA-N 247.338 2.674 30 20 BFED N#Cc1ccc(OC(=O)[C@H]2CC=CCC2)c(F)c1 157954750 CACHWRDGZXBFKA-NSHDSACASA-N 245.253 2.959 30 20 BFED C=CCN(CC=C)Cc1ccc(OC)c(O)c1 158128484 JRGQHSYXJNAHKG-UHFFFAOYSA-N 233.311 2.575 30 20 BFED C=CCC(CC=C)C(=O)N(C)[C@H]1CCSC1 162787707 WRWBYEXMUOJABB-LBPRGKRZSA-N 239.384 2.719 30 20 BFED C#CCCCN[C@H](C)c1ccccc1OC 163105967 OXSFGROZVGKRFR-GFCCVEGCSA-N 217.312 2.759 30 20 BFED CCC(C#N)(CC)C(=O)Nc1ccc(C)nc1 164863434 QNOPWCJEJJKJBM-UHFFFAOYSA-N 231.299 2.659 30 20 BFED C#CCCCOC(=O)c1csc(C2CC2)n1 170711706 CZOOAEHMNPMERH-UHFFFAOYSA-N 235.308 2.591 30 20 BFED C#CCCCOC(=O)c1ccc(C)c(F)c1 170714616 KXLJBTRJVADFFX-UHFFFAOYSA-N 220.243 2.704 30 20 BFED C=CCCCC(=O)Nc1cccc(C)n1 175119875 VUCBQMMGXSKNOU-UHFFFAOYSA-N 204.273 2.685 30 20 BFED CC[C@H](C#N)OC(=O)C[C@@H](CC)C(C)C 175999729 AGISICRYTRPDOC-GHMZBOCLSA-N 211.305 2.904 30 20 BFED N#C[C@H](NC(=O)[C@@H]1CC=CCC1)C1CCCCC1 176572259 GXVSMMCRYXTYLY-KGLIPLIRSA-N 246.354 2.931 30 20 BFED C=CCCCC(=O)N1C[C@H]2CCC[C@@H]2C1 177007567 VNXMMCOGQQNUBE-VXGBXAGGSA-N 207.317 2.601 30 20 BFED C=CCC[C@H](NCC1CCOCC1)C1CC1 178686293 CBNBARHZQZVEHE-AWEZNQCLSA-N 223.360 2.747 30 20 BFED C=C(C)CN(C)[C@H](C)C(=O)Nc1ccccc1C 181325627 NGSXTJRSTQEUPT-CYBMUJFWSA-N 246.354 2.830 30 20 BFED C#CCCCN[C@H]1C[C@@H](OCC)C12CCCC2 181832561 HKUGUWQQUXUXGW-UONOGXRCSA-N 235.371 2.727 30 20 BFED CC(C)c1cc(C(=O)O[C@@H](C#N)C(C)(C)C)n[nH]1 181989602 QWRJKVKKZWDNJF-NSHDSACASA-N 249.314 2.628 30 20 BFED CC[C@H](NCCCC(C)(C)C#N)[C@H]1CCCO1 182247650 PYAHWTGRYQBZRJ-QWHCGFSZSA-N 238.375 2.864 30 20 BFED C=CC[C@@H](C(=O)NC(C)C)c1ccccc1 189352598 HZAARTLTWBZIRU-CYBMUJFWSA-N 217.312 2.871 30 20 BFED C=CCC[C@H](CCC)N[C@@H](C)C(=O)N(C)CC 189396479 YOEKUWQGQNCJGH-STQMWFEESA-N 240.391 2.578 30 20 BFED CC[C@H](C)CC(=O)Nc1nn(C(C)C)cc1C#N 191915086 OOQZYHJVRUPMLA-JTQLQIEISA-N 248.330 2.710 30 20 BFED C=CCN(CC=C)[C@@H](C(=O)O)c1ccccc1C 212250618 NZEYYYIVNRTTLN-CQSZACIVSA-N 245.322 2.795 30 20 BFED CC[C@H]1CCN(Cc2cccc(C#N)c2F)C1 223557368 NPGJOGSJVAKIQW-NSHDSACASA-N 232.302 2.929 30 20 BFED C[C@H](Nc1cc(F)cc(C#N)c1)[C@H]1CCCO1 227607951 UJOTWSHSPMHRMV-TVQRCGJNSA-N 234.274 2.677 30 20 BFED CC(C)(C#N)CCSC[C@@H]1CCCO1 232525351 HOPLECGCEQQGIF-JTQLQIEISA-N 213.346 2.838 30 20 BFED CC[C@@H]1C[C@@H]1Nc1nccc(C#N)c1Cl 233921275 GWJUJNJQYNBRRB-APPZFPTMSA-N 221.691 2.817 30 20 BFED C[C@H](C#N)CN[C@@H]1CCC(C)(C)C[C@H]1C 247021651 LTXGSEDLEKUKRG-IJLUTSLNSA-N 208.349 2.950 30 20 BFED N#C[C@]1(c2ccc(F)cc2)CCCC(=O)C1 261508594 VACJKAKEMZPUPM-ZDUSSCGKSA-N 217.243 2.730 30 20 BFED C[C@H]1CCN(c2nc3c(cc2C#N)CCC3)[C@H]1C 267685185 PVCYIGKIDKLZSF-QWRGUYRKSA-N 241.338 2.677 30 20 BFED C#CC[C@H](NC(=O)[C@H](C)SC)c1ccccc1 270514957 SBGPRFIKVZOOID-AAEUAGOBSA-N 247.363 2.619 30 20 BFED CC(C)(C)[C@](C)(C#N)NC(=O)c1ccccc1F 272448849 VLBIZBWNXHBMSD-AWEZNQCLSA-N 248.301 2.884 30 20 BFED CC(C)(C#N)CCCCSc1cnn[nH]1 277496828 DDGXCIDBKSSYER-UHFFFAOYSA-N 224.333 2.617 30 20 BFED Cc1cc(OC(=O)CCC2CC2)ccc1C#N 277925506 NJUSBKJBWKUBCN-UHFFFAOYSA-N 229.279 2.962 30 20 BFED N#Cc1ccnc(S[C@@H]2CC[C@H](C#N)C2)c1 278592100 PYYOKKOKZUOGKS-GXSJLCMTSA-N 229.308 2.738 30 20 BFED C=CCCSCc1ncnn1C(C)C 278602272 FYQQCUPVMXYGID-UHFFFAOYSA-N 211.334 2.668 30 20 BFED C=C[C@](C)(O)CC(=O)N(C)[C@H](C)c1ccccc1 279291628 YEVVIXZXXDEFOB-DOMZBBRYSA-N 247.338 2.533 30 20 BFED C=CC[C@H](CC)NC(=O)N[C@H](CC)CC=C 281220072 CZSJATCJOLGDMY-TXEJJXNPSA-N 224.348 2.995 30 20 BFED CC#CC(=O)Nc1cccc(C(C)(C)C)c1O 283390436 ANIRPZYEESRSBO-UHFFFAOYSA-N 231.295 2.652 30 20 BFED C=CCCCCN[C@@H](Cn1cccn1)C(C)C 285248896 PXCSEENKRVHAMQ-AWEZNQCLSA-N 235.375 2.854 30 20 BFED C=CCC[C@@H](NCC(C)(C)O)c1ccco1 286119331 NZJGQFFDBVAPKZ-LLVKDONJSA-N 223.316 2.647 30 20 BFED N#Cc1ccnc(N[C@@H]2C[C@@H]2Cc2ccccc2)c1 287504748 ZAGAQQASOHMOMC-LSDHHAIUSA-N 249.317 2.996 30 20 BFED COCC(C)(C)CCCNc1cccc(C#N)n1 288617543 VKPXXZVVARBISW-UHFFFAOYSA-N 247.342 2.818 30 20 BFED N#CCCCC(=O)Nc1cc(C2CC2)ccn1 291540434 UPQTYTPZVONOKG-UHFFFAOYSA-N 229.283 2.591 30 20 BFED CC[C@@H]1CCCN(c2ccc(C#N)c(C)n2)C1 291586811 HAWLZZMPFSNBSN-GFCCVEGCSA-N 229.327 2.888 30 20 BFED CC#CCN(C)C(=O)[C@@H](C)c1cccc(Cl)c1 294454206 HJVRIHHZNRHHTK-NSHDSACASA-N 249.741 2.925 30 20 BFED Cc1cccc(CN(C)C[C@@H](C)C#N)c1F 294838614 OCERKAQFLMYZSA-JTQLQIEISA-N 220.291 2.726 30 20 BFED Cc1cc(Cl)c(NC(=O)CC#N)cc1C 295803197 FBBGEOAXGPKTKJ-UHFFFAOYSA-N 222.675 2.809 30 20 BFED C=CCCc1noc(-c2cc(C3CC3)on2)n1 297479192 ZBWJRKVVDXDOGW-UHFFFAOYSA-N 231.255 2.721 30 20 BFED C[C@H]1CCCN(c2ccc(Cl)c(C#N)n2)C1 299633352 LLERVFVVDHVFDU-VIFPVBQESA-N 235.718 2.843 30 20 BFED C=C[C@@H](Nc1cccc(C(C)C)c1)C(=O)O 301051960 VEUVQKZXMAAEMM-GFCCVEGCSA-N 219.284 2.861 30 20 BFED C=C[C@H](C)Nc1snc(Cl)c1C#N 301608782 PBBALGDXAUFXKY-YFKPBYRVSA-N 213.693 2.655 30 20 BFED Cc1cc2[nH]ncc2cc1Nc1cccc(C#N)n1 302700839 HWSCFEYBPKSGHU-UHFFFAOYSA-N 249.277 2.882 30 20 BFED CC1(C)CCC[C@H](Nc2ncncc2C#N)C1 306077003 AJNCZKIBTOGQHP-NSHDSACASA-N 230.315 2.729 30 20 BFED C=CC[C@H](C)[C@@H](C)NCCOC(F)(F)F 308897271 ZXWMISLBNXMXLH-DTWKUNHWSA-N 225.254 2.713 30 20 BFED Cc1nnc(SCC2(C#N)CC2)n1C(C)C 331491333 NANVERXVXRHHNV-UHFFFAOYSA-N 236.344 2.563 30 20 BFED CCN(C[C@H](C)C#N)C(=O)c1ccoc1C1CC1 331778121 LYHNJQRZPCRCTP-SNVBAGLBSA-N 246.310 2.779 30 20 BFED CC(C)(C#N)CNC(=O)N1CCC[C@@H]2CCC[C@@H]21 334242707 OVVNLPSMDVEGMR-RYUDHWBXSA-N 249.358 2.510 30 20 BFED C[C@@H]1CC[C@@H](C(=O)Nc2sccc2C#N)C1 334400157 FNRHVSWIEUGHBA-RKDXNWHRSA-N 234.324 2.994 30 20 BFED Cc1ncsc1NC(=O)c1ccc(C#N)cc1 334554535 VMMKQSQUZKEPAZ-UHFFFAOYSA-N 243.291 2.576 30 20 BFED CCC[C@H](C)C(=O)N1CCCC(C)(C)[C@H]1C#N 334618597 HLWLFYXJQIWXQC-NWDGAFQWSA-N 236.359 2.963 30 20 BFED CC1=C(C(=O)N[C@](C)(C#N)C(C)(C)C)CCC1 334700397 QWPHTPZOGIDPPP-CQSZACIVSA-N 234.343 2.931 30 20 BFED N#Cc1ccc(CNC(=O)[C@@H]2CC=CCC2)s1 335043563 LZDLNKUSZFKTEV-SNVBAGLBSA-N 246.335 2.592 30 20 BFED C=C1CCN(c2ncc3c(c2C#N)CCC3)CC1 335113210 VCYRGVRTIONFFU-UHFFFAOYSA-N 239.322 2.598 30 20 BFED CC1CC(NC(=O)N2CCC(CCC#N)CC2)C1 335366259 WNLYCCNPMBAAHZ-UHFFFAOYSA-N 249.358 2.510 30 20 BFED Cc1cc(C(=O)N[C@@]2(C#N)CC2(C)C)sc1C 335700117 XUSWIENYWJLCSR-CYBMUJFWSA-N 248.351 2.787 30 20 BFED C=C[C@@H](CO)NCC1CCC(CCC)CC1 336743303 TVUOFXWWZIQPDZ-RUXDESIVSA-N 225.376 2.729 30 20 BFED C=C[C@H](C)Nc1ncnc2c(F)c(OC)ccc12 337265346 YJEKPJXCTYPKNK-QMMMGPOBSA-N 247.273 2.764 30 20 BFED COc1ccc(C#N)cc1N[C@H](C)COC(C)C 337509771 QUZNLOMZFVKMSV-LLVKDONJSA-N 248.326 2.792 30 20 BFED C=CCN(C)Cc1ccc(O)c2nc(C)ccc12 338309282 RBYCACOSASOCBH-UHFFFAOYSA-N 242.322 2.867 30 20 BFED C=CCCN(CCO)C1CCC(CC)CC1 338542506 ASSCCOIAQXDGIM-UHFFFAOYSA-N 225.376 2.826 30 20 BFED CCC[C@@H](C#N)N(C)C(=O)c1ccc(F)cc1C 339169528 GSJWUAYTAVHHPU-LBPRGKRZSA-N 248.301 2.898 30 20 BFED C=C[C@H](C)NC(=O)[C@@H]1CCCC(C)(C)C1 339436790 HADMBPBPNROCPV-WDEREUQCSA-N 209.333 2.894 30 20 BFED C=C[C@@H](CO)N[C@H](C)c1cccc(C2CC2)c1 340401498 RRKGUOBNNJZYFF-ABAIWWIYSA-N 231.339 2.762 30 20 BFED CC#CCCCC(=O)N1CC[C@](C)(CC)C1 341481902 JMCSSTLQTFDMKR-AWEZNQCLSA-N 221.344 2.829 30 20 BFED N#CC1(CN2CC[C@@H]2Cc2ccccc2)CC1 343317674 FDACIHUEJVHMDP-CQSZACIVSA-N 226.323 2.607 30 20 BFED C=CCCC1(c2nc(Cc3ccon3)no2)CC1 346441145 KOWJYLGFDMOKTP-UHFFFAOYSA-N 245.282 2.646 30 20 BFED C=C(C)CCc1noc([C@@H]2[C@@H](C)C2(F)F)n1 347244220 MNEOYBABFKBJOX-APPZFPTMSA-N 228.242 2.947 30 20 BFED C=C(C)CCN[C@@H]1CCC[C@@H]1OC(F)F 348103014 BWEVHBJSJTVJBK-ZJUUUORDSA-N 219.275 2.703 30 20 BFED CC(C)OCCCN(C)Cc1ccccc1C#N 353697391 GPCIOUQOODSYEF-UHFFFAOYSA-N 246.354 2.805 30 20 BFED CCN(CC#N)CC[C@@H](C)OCc1ccccc1 354869060 GAVKJFJLDPTXIU-CQSZACIVSA-N 246.354 2.827 30 20 BFED C=CCOCCCSCc1cc(C)no1 357405158 ZWPHPIZETMIMRN-UHFFFAOYSA-N 227.329 2.809 30 20 BFED CC1(CNC(=O)Nc2ccc(CC#N)cc2)CC1 357678101 YYIHESHPLCXVIH-UHFFFAOYSA-N 243.310 2.674 30 20 BFED CC[C@@H]1CCCC[C@H]1C(=O)NCC(C)(C)C#N 360263545 CBWVYCSAFLFWQX-VXGBXAGGSA-N 236.359 2.869 30 20 BFED N#Cc1cccc(C#N)c1N1C[C@H]2CCCC[C@H]21 377983280 IXHXOYKSFZDBML-ZIAGYGMSSA-N 237.306 2.809 30 20 BFED C=CCCCC(=O)N1CCC[C@@H](C2CC2)C1 378131699 OWZCEFUBZYECNH-CYBMUJFWSA-N 221.344 2.991 30 20 BFED C#C[C@H](NCc1ccccc1F)C(C)(C)C 381269387 VDUCMRGLKKZFSG-ZDUSSCGKSA-N 219.303 2.963 30 20 BFED CCCCCCCC(=O)N1CCC[C@H](O)CC1 393466397 CVGIAQWTCFXNQO-ZDUSSCGKSA-N 241.375 2.720 30 20 BFED C#C[C@@](C)(CC)NC(=O)c1ccc(C)c(C)c1 395268249 ORITZWSKXNBCIM-HNNXBMFYSA-N 229.323 2.835 30 20 BFED C#C[C@@](C)(CC)NC(=O)c1c(C)oc(C)c1C 395273131 VBGPEWWKXCZBJN-AWEZNQCLSA-N 233.311 2.737 30 20 BFED C#CCn1nc(-c2ccsc2)c2c1CCC2 409437066 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30 20 BFED Cc1ccncc1NCc1ccc(C#N)s1 119021174 XYOLRWLUVNEFAF-UHFFFAOYSA-N 229.308 2.935 30 20 BFED C=CCCS(=O)(=O)Oc1ccccc1Cl 119250091 UKALUDDNDQQSFR-UHFFFAOYSA-N 246.715 2.625 30 20 BFED C=CCCC[C@@H](C)N[C@@H](C)Cn1cccn1 120614577 BWAVQSAZUYUBTH-OLZOCXBDSA-N 221.348 2.606 30 20 BFED Cc1cccc(F)c1NC(=O)N[C@H](C)CC#N 121310206 OLTRGMZMKLSURY-SECBINFHSA-N 235.262 2.558 30 20 BFED C[C@H]1CC[C@@H](C)N1CCOc1ccccc1C#N 123165597 AWVYHBLYXAYYFS-BETUJISGSA-N 244.338 2.810 30 20 BFED Cc1occc1C(=O)N(C)c1ccccc1C#N 127452891 ZNZXIKZOZRGOTP-UHFFFAOYSA-N 240.262 2.736 30 20 BFED CC[C@H](C#N)C(=O)Nc1cccc2ccncc12 131175935 ZICLOYHJQNYHMI-SNVBAGLBSA-N 239.278 2.723 30 20 BFED C#CCCOC(=O)C1CCC(C)(C)CC1 132074519 XGEMSNJWBHFDAP-UHFFFAOYSA-N 208.301 2.769 30 20 BFED C=C(C)CNC(=O)C(C)(C)c1ccc(C)cc1 153008155 GENIQCWRLKWKTA-UHFFFAOYSA-N 231.339 2.965 30 20 BFED C#CCOc1ccc([C@H](C)NCCSC)cc1 154761574 LCCUZJJWUQAOAQ-LBPRGKRZSA-N 249.379 2.712 30 20 BFED C=C(C)CNC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 156682941 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C=CCC(CC=C)C(=O)N[C@@H](CC)CC#N 183902298 GQBQESBXJIMCJZ-LBPRGKRZSA-N 220.316 2.563 30 20 BFED C#CCC(C)(C)C(=O)Oc1ccccc1C 184865859 XDPGXUQOSGYYHW-UHFFFAOYSA-N 216.280 2.950 30 20 BFED CC(C)[C@](C)(C#N)NC(=O)C[C@H]1CCC[C@H]1C 186611832 TUFNOUUPCYXROM-BZPMIXESSA-N 236.359 2.867 30 20 BFED C=C(C)[C@@H](NCCCO)c1ccc(F)c(F)c1 187761115 QKZGZGQDNODRNT-CYBMUJFWSA-N 241.281 2.554 30 20 BFED Cc1noc(C)c1CCN[C@H]1CCC[C@H](C#N)C1 192844545 VBEWNFPVVFGZGR-STQMWFEESA-N 247.342 2.506 30 20 BFED Cc1ccc(SCC(=O)N[C@H](C)CC#N)cc1 194721910 NWZXTNUWWMBYOD-LLVKDONJSA-N 248.351 2.506 30 20 BFED CC1(CNc2cccc(F)c2C#N)CC1 224427837 FAMNZSHVFIMVKJ-UHFFFAOYSA-N 204.248 2.909 30 20 BFED CC1(C#N)CCN(C(=O)[C@@H]2CCCC2(C)C)CC1 228866547 KEYJMKPNZFBOKS-LBPRGKRZSA-N 248.370 2.965 30 20 BFED C[C@H]1CC[C@H](CNC(=O)c2ccc(C#N)cc2)C1 230425205 CWSWCJFWYFUWMR-AAEUAGOBSA-N 242.322 2.724 30 20 BFED CC(C)N(C)CCCNCC(C)(C)CCC#N 230639750 LDNWIMJVPBPUDX-UHFFFAOYSA-N 239.407 2.636 30 20 BFED Cc1nnc(C)n1/N=C/C1=CC[C@H]2C[C@H]1C2(C)C 241653369 PUMZRYRZWAPKRH-QWHCGFSZSA-N 244.342 2.721 30 20 BFED CC[C@@H](C#N)NC(=O)/C=C\Sc1ccccc1 255673530 LHLMEWWVIUUUGE-IQQGHNRFSA-N 246.335 2.711 30 20 BFED C[C@@H](c1ccc(F)cc1)N(C)C[C@@H](C)C#N 260171711 UGSUMKFSYUJKHM-QWRGUYRKSA-N 220.291 2.978 30 20 BFED CC(C)(C/N=C(/N)Nc1ccccn1)C1CCC1 263022879 AEKJSAPAYRTYJB-UHFFFAOYSA-N 246.358 2.635 30 20 BFED C#CC(C)(C)NC(=O)C[C@@H](C)c1cccc(F)c1 265301559 UWAVMHPQEJMARS-LLVKDONJSA-N 247.313 2.847 30 20 BFED CC(C)CSCCNc1ccc(C#N)cn1 270052041 CMTCGBIAFPBDMD-UHFFFAOYSA-N 235.356 2.754 30 20 BFED CCC[C@@H]1CN(c2cccc(F)c2C#N)CCO1 270202838 CMIONJRGEVTGDH-LLVKDONJSA-N 248.301 2.703 30 20 BFED C=CCCCCNc1ncccc1[N+](=O)[O-] 274512075 UVRZUAIYAJDKBN-UHFFFAOYSA-N 221.260 2.758 30 20 BFED C=CCCN(C)c1nc2ccccc2[nH]1 276300844 LIXAPBKJKPBYEN-UHFFFAOYSA-N 201.273 2.575 30 20 BFED C=CCN(Cc1ccccc1F)C(=O)C(F)F 278450462 MZACJPWCEBEYBF-UHFFFAOYSA-N 243.228 2.605 30 20 BFED CC(C)(C#N)Cc1nc(C2CCCC2)no1 279102149 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332286334 GNXBYIIAPRAZLP-QWHCGFSZSA-N 249.358 2.558 30 20 BFED CC(C)(CC(=O)N1CCC(C#N)CC1)C1CC1 334169014 ATUCOVDZCZDDRH-UHFFFAOYSA-N 234.343 2.575 30 20 BFED C=C[C@@H](C)NC(=O)N1CCC=C(c2ccco2)C1 334508823 KYXRPLKCNQLZCX-LLVKDONJSA-N 246.310 2.653 30 20 BFED C=C(C)CN(C)C(=O)Nc1ccc2c(n1)CCC2 334581512 RNGMHRBPZPFGES-UHFFFAOYSA-N 245.326 2.610 30 20 BFED N#CC1(CNC(=O)Nc2cccc(F)c2)CCC1 334603492 KOHAAJHDBXAQBT-UHFFFAOYSA-N 247.273 2.641 30 20 BFED CC1(C#N)CCC(NC[C@@H]2CCC[C@H](N)C2)CC1 335035911 DQRMTICKASFCDE-DNDYEEKYSA-N 249.402 2.566 30 20 BFED CC(C)(C)CC(=O)N1CCc2c(C#N)cccc21 335594680 KODWZRLTKTYSGF-UHFFFAOYSA-N 242.322 2.884 30 20 BFED C=C(C)CNC(=O)[C@H]1CCSc2ccccc21 335737280 AKIHJSTWZBOANI-LBPRGKRZSA-N 247.363 2.958 30 20 BFED Cc1cc(C)c(C#N)c(N2CCC[C@H](F)C2)n1 335904123 NMJYKNRBPDNTBR-NSHDSACASA-N 233.290 2.508 30 20 BFED C[C@@H](NC(=O)C1=CCCC1)c1ccc(C#N)cc1 336056827 MNGYTLPCTJKQOG-LLVKDONJSA-N 240.306 2.846 30 20 BFED CC(C)(C#N)CC(=O)N1CCC[C@H]1C(C)(C)C 336088758 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236.265 2.862 30 20 BFED C[C@@H](CC#N)NC(=O)[C@@H](C)Sc1ccccc1 356437685 JAGWLCIPRHGQFH-WDEREUQCSA-N 248.351 2.586 30 20 BFED CCCOc1cc(C)ccc1NC(=O)[C@@H](C)C#N 359981262 MWMYOMNXTGDZRJ-NSHDSACASA-N 246.310 2.882 30 20 BFED C=CC[C@H](CC)NC1CCN(CC(F)F)CC1 361443659 UGMVAVJOPOPURY-NSHDSACASA-N 246.345 2.660 30 20 BFED N#CCC1(CN=c2[nH]c3ccccc3s2)CC1 362365612 PDMMPIQCPSMZNY-UHFFFAOYSA-N 243.335 2.824 30 20 BFED C=C[C@@H](C)NC(=O)C[C@@H](C)c1cccc(OC)c1 362589031 SIEMVUMNHSPMOF-VXGBXAGGSA-N 247.338 2.880 30 20 BFED N#CCCCCN1CCC(OCC2CC2)CC1 374134079 ZJRVINZTFFMDKL-UHFFFAOYSA-N 236.359 2.571 30 20 BFED Cn1cc(CNCC23CCC(CC2)C3)cc1C#N 377024551 IAJSBIXFRXDHKG-UHFFFAOYSA-N 243.354 2.567 30 20 BFED C#C[C@@H](CC)NCc1cc(C)nc(Cl)c1 379952683 UKFXCASCZFJPHK-NSHDSACASA-N 222.719 2.545 30 20 BFED Cc1ccc([C@@H](C)Nc2cc(C#N)ncn2)cc1 380757954 OQMSLGAEXFZEFD-LLVKDONJSA-N 238.294 2.830 30 20 BFED C=CC[C@@H](NCc1ccc(Cl)s1)C(=O)O 389855803 AXDRLKOGLCWESG-MRVPVSSYSA-N 245.731 2.520 30 20 BFED N#CC[C@H]1CCCN(Cc2cccc(C#N)c2)C1 397676678 RYFBOFLBQPANSS-CYBMUJFWSA-N 239.322 2.684 30 20 BFED C=CCCC[C@H](C)N[C@@H]1CCC[C@@H](N)C1 398083655 SQURYFPWJIOUAO-YNEHKIRRSA-N 210.365 2.591 30 20 BFED C[C@@H](C#N)N(C)C(=O)C[C@@H]1CCCCC1(C)C 410882892 KOBLFFFRNTVXGN-RYUDHWBXSA-N 236.359 2.963 30 20 BFED C=CCC[C@H](C)NC[C@@H]1NCCCC1(C)C 414923831 GDVODNOREOSHKR-STQMWFEESA-N 224.392 2.709 30 20 BFED C=C[C@@](C)(CC)C(=O)N[C@H](C)C1(OC)CCC1 416023020 FPQJNTUGDSCJCL-YPMHNXCESA-N 239.359 2.663 30 20 BFED C=CCCC[C@H](C)NC(=O)NC[C@@H]1CC12CC2 416705775 LQLZFPXCEMNLOK-RYUDHWBXSA-N 236.359 2.831 30 20 BFED CC(C)[C@H]1CCN1Cc1ccc(C#N)c(F)c1 421342096 XCQAWTBYCDEJKC-CQSZACIVSA-N 232.302 2.928 30 20 BFED C=CCC[C@H](C)N[C@H](C)C1(OC)CCOCC1 421405786 RSWHJHUXHCEVTO-QWHCGFSZSA-N 241.375 2.515 30 20 BFED CC[C@@H](C)CC(=O)NCc1ccc(C#N)s1 421604944 RVYUZDBMSYVAER-SECBINFHSA-N 236.340 2.672 30 20 BFED C=CCC1(CNC(=O)[C@]2(C)C[C@@H]2F)CCCC1 424868732 INDRMRQAARLQFO-WCQYABFASA-N 239.334 2.987 30 20 BFED CC[C@]1(C)CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 425607920 HUWBAZSRSHKCQK-OUCADQQQSA-N 249.358 2.510 30 20 BFED N#CCCNC1CCC(c2ccc(O)cc2)CC1 425970079 CUUBPJQKSUWVLB-UHFFFAOYSA-N 244.338 2.922 30 20 BFED C=C(CC)CN1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 429035535 MPGPRKFQSXMWND-QLFBSQMISA-N 236.403 2.615 30 20 BFED N#Cc1ccc(NCc2ccn(C(F)F)n2)cc1 438844184 VPLSFFYQNRYXNJ-UHFFFAOYSA-N 248.236 2.762 30 20 BFED CCO[C@H]1C[C@@H](NCC2(C#N)CCC2)C12CCC2 451478383 JRJAANGWTYHFHE-OLZOCXBDSA-N 248.370 2.618 30 20 BFED C=CC(C)(C)CNC(=O)c1ccc(C)cc1 452776674 LBXGKOURZMXYIT-UHFFFAOYSA-N 217.312 2.937 30 20 BFED CC[C@@H]1CCC[C@@H](CN(CC#N)CCOC)C1 453594734 FPYNQGYRCCEBPG-ZIAGYGMSSA-N 238.375 2.675 30 20 BFED C=C(CC)CNC(=O)N[C@@H]1CCC(C)(C)C1 454743170 TULLZSJYFDPBTA-LLVKDONJSA-N 224.348 2.831 30 20 BFED C=C[C@@](C)(O)CC(=O)NC1(CC)CCCCC1 456215534 HCUXWCPVOCAICV-CYBMUJFWSA-N 239.359 2.543 30 20 BFED CC#CCCCC(=O)N1C[C@@H](C2CC2)[C@H]1C1CC1 456298526 QOKMLKVFKVUZLT-GOEBONIOSA-N 245.366 2.827 30 20 BFED C[C@H]1CCC[C@@]1(C)C(=O)NCC(C)(C)CC#N 458016645 FUKRLPXWILBRDB-SMDDNHRTSA-N 236.359 2.869 30 20 BFED C=C(C)CCNC(=O)NCC(=C)c1ccccc1 458759910 MXDHHPILZKROCK-UHFFFAOYSA-N 244.338 2.965 30 20 BFED C=CCCCN1CCOc2ccc(F)cc2C1 489165320 GPPAOSPGGANZIP-UHFFFAOYSA-N 235.302 2.986 30 20 BFED C#C[C@H](C)N(C)CCCOCc1ccccc1 491464489 RETBYGQQECXIEM-AWEZNQCLSA-N 231.339 2.547 30 20 BFED C#CCN(C(=O)N[C@@H](C)C[C@@H](C)CC)C1CC1 491689701 BASLQCWNKRSNAP-RYUDHWBXSA-N 236.359 2.618 30 20 BFED C#CCN(C)C(=O)CCSc1ccc(C)cc1 491716933 OWTKPFYGHDXEEJ-UHFFFAOYSA-N 247.363 2.569 30 20 BFED CC1CC(C#N)(C(=O)N(C)[C@H]2CCC(C)(C)C2)C1 527281952 DVKOEJHHMQTFSQ-AVERBVTBSA-N 248.370 2.963 30 20 BFED C=CC[C@H](CC)NC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 529258828 UENCEVKYXZFVEL-MOLYVOAJSA-N 239.359 2.517 30 20 BFED Cc1cc(C#N)cc(NC(=O)NC2(C)CCC2)c1 560450939 WHBATCNLEMPBKB-UHFFFAOYSA-N 243.310 2.931 30 20 BFED C=CCCCn1ccc2c(OC)cccc2c1=O 574637409 BFIKWBCZBNIBET-UHFFFAOYSA-N 243.306 2.976 30 20 BFED CCCOc1cccc(CNCC2(C#N)CC2)c1 582898201 XPBRXLKWGAGYAJ-UHFFFAOYSA-N 244.338 2.869 30 20 BFED N#CCCS[C@H](C#N)Cc1ccccc1 591134203 QAOVAHXFRSZEKD-LBPRGKRZSA-N 216.309 2.768 30 20 BFED CC[C@H](OCCN(C)CCC#N)c1ccccc1 593014822 FHVMDRARHGCVRM-HNNXBMFYSA-N 246.354 3.000 30 20 BFED CN(CCC1CC1)[C@@H](C#N)c1ccccc1 595386434 GTBVPNBOKZTHGI-AWEZNQCLSA-N 214.312 2.983 30 20 BFED CC[C@H](C)[C@@H](CNc1nc(C#N)ccc1C)OC 596250971 WDDKJQHKOKBXBT-GXFFZTMASA-N 247.342 2.735 30 20 BFED Cc1ccc2c(c1)CN(c1ccnc(C#N)c1)CC2 596407622 GMYJUKWEHWOARA-UHFFFAOYSA-N 249.317 2.824 30 20 BFED CCN(C(=O)c1ccc(C(C)C)cn1)[C@H](C)C#N 598362683 HYTBZAVGBZRGNV-LLVKDONJSA-N 245.326 2.579 30 20 BFED CC1CC(CNC(=O)[C@]2(C#N)CC23CCCC3)C1 598778787 XAZTUWRKZXUGHD-KOHJWAIASA-N 246.354 2.623 30 20 BFED CC[C@@](C)(C#N)C(=O)Nc1nc(C(C)C)co1 602391615 CQTFJGUTKOODCJ-LBPRGKRZSA-N 235.287 2.676 30 20 BFED C[C@@H](CCC#N)CNCCc1cccs1 602505705 XPPSNZLLLBWJSO-NSHDSACASA-N 222.357 2.820 30 20 BFED CC#CCN(C)CCOc1ccc(Cl)cc1 607723941 RTYMKZNJMQSTJL-UHFFFAOYSA-N 237.730 2.674 30 20 BFED CCC#C[C@H](C)Sc1nc(C)nc(C)c1C#N 611080413 UJWQTLBYRAEJFJ-VIFPVBQESA-N 245.351 2.859 30 20 BFED CC(C)=C[C@H]1[C@@H](C(=O)N[C@H](C#N)C(C)C)C1(C)C 613602565 KVIRPMCDWJGNKN-XQQFMLRXSA-N 248.370 2.889 30 20 BFED Cc1cccc([C@@H](C)N2CC[C@](F)(C#N)C2)c1 615640200 WJBZWIVXZZKXFI-OCCSQVGLSA-N 232.302 2.994 30 20 BFED CCN(Cc1ccccn1)C[C@H](C)CCC#N 619568739 ZOGVYLGKGZNYNZ-CYBMUJFWSA-N 231.343 2.843 30 20 BFED C=CCCNCc1cn(C)nc1-c1cccs1 657582996 RGZDREHOIDZLEJ-UHFFFAOYSA-N 247.367 2.814 30 20 BFED C=CCCCCN(C)[C@H](CO)Cc1ccccc1 661091352 GFCZKKIQDJWQAS-INIZCTEOSA-N 247.382 2.878 30 20 BFED C=CCCNC(=O)N(C)CCc1ccccc1C 661564948 HMOLXRIHKDRHCG-UHFFFAOYSA-N 246.354 2.755 30 20 BFED C=CCC1(NCCC(C)(C)O)CCCC1 661867839 ZULDNGCQIPSDCY-UHFFFAOYSA-N 211.349 2.626 30 20 BFED C=CCCNC(=O)N(CCCC)C1CC1 665947110 DWNZYYCTRHPHTL-UHFFFAOYSA-N 210.321 2.537 30 20 BFED C#CCN(C(=O)Cc1ccc(C)c(C)c1)C(C)C 688789339 TZBRRCBTEJTLNR-UHFFFAOYSA-N 243.350 2.716 30 20 BFED C=C(CC)CSCC(C)(C)C(=O)O 700307679 YPWWXHWQFAICFF-UHFFFAOYSA-N 202.319 2.797 30 20 BFED C=C(C)COC(=O)/C=C\c1cnc(C)s1 732868201 PPKBATTZECWNJR-PLNGDYQASA-N 223.297 2.584 30 20 BFED C(=NOCC1CCOCC1)c1cccs1 735488456 NIEHVFFQRKWIDT-UHFFFAOYSA-N 225.313 2.525 30 20 BFED CCCNN=Cc1ccc(OC)c(Cl)c1 741461023 VIHLENMINOHUOL-UHFFFAOYSA-N 226.707 2.682 30 20 BFED CCON=C(C)c1ccc(N2CCCC2)cc1O 748251173 SVTWBSLMPDRSMH-UHFFFAOYSA-N 248.326 2.753 30 20 BFED CCCCCCCC(=O)NO[C@@H]1CCCCO1 749616990 AZBZKXVWPFOMKG-CYBMUJFWSA-N 243.347 2.921 30 20 BFED Cc1cc(C)nc(NN=C(C(C)C)C2CC2)n1 750910368 KUEFIQKBCHGYIH-UHFFFAOYSA-N 232.331 2.927 30 20 BFED C#CC(=O)N1CCC[C@@H]1Cc1ccccc1Cl 753957292 MEFQDCUYOUBYOO-GFCCVEGCSA-N 247.725 2.507 30 20 BFED CC[C@H](C)OC(=O)c1c(F)cc(C#N)cc1F 756588485 FMLFEKBKNDUGHC-ZETCQYMHSA-N 239.221 2.792 30 20 BFED Fc1cccc2c1CCC2=NOCC(F)F 758899116 DUHIDOFKCHPGJI-UHFFFAOYSA-N 229.201 2.758 30 20 BFED CC#CCCOC(=O)c1ccc(F)cc1C 760281961 GSBPQAMPLHPJKB-UHFFFAOYSA-N 220.243 2.704 30 20 BFED CCCCCCCCN(CC(N)=O)C(C)(C)C 761906211 WKICTKUKIAPSDP-UHFFFAOYSA-N 242.407 2.933 30 20 BFED C=CCCCC(=O)O[C@@H](C)C(=O)OC(C)(C)C 762836643 UVXNWHDJGSAWRA-JTQLQIEISA-N 242.315 2.616 30 20 BFED CO[C@H](C)C(C)=NNCc1ccccc1Cl 763164668 XGHLHPKQANQGHA-SNVBAGLBSA-N 240.734 2.840 30 20 BFED COc1nccnc1NN=C(C)C1CCCCC1 763407932 KECOWRBAWACAQL-UHFFFAOYSA-N 248.330 2.853 30 20 BFED Cc1ccc(C=NNc2ccc(C#N)cc2)cn1 764903738 AVKMCGAOQLBROP-UHFFFAOYSA-N 236.278 2.708 30 20 BFED C#C[C@@H](C)NC(=O)/C=C(/CC)c1ccc(C)cc1 772966920 OCENYRFDXQKYDI-KECPUOCWSA-N 241.334 2.926 30 20 BFED C=C(C)CCOC(=O)C1(OC)CCCCC1 774113778 FYVMMDAOZRTCAH-UHFFFAOYSA-N 226.316 2.845 30 20 BFED CCOCCON=C(C)c1sccc1OC 774417733 QVVVUASCYHDMMP-UHFFFAOYSA-N 243.328 2.534 30 20 BFED C[C@@H]1C[C@@H]1C(=O)O[C@H](C#N)C1CCCCC1 776360886 GEIYFIGTNCZMAI-ADEWGFFLSA-N 221.300 2.658 30 20 BFED CC(C)(C#N)CCOC(=O)C1CCSCC1 776386956 XVAXJVDTFWTULS-UHFFFAOYSA-N 241.356 2.613 30 20 BFED COC[C@H](C)NN=C(C)CCC=C(C)C 777894518 KBDWMNBMUJZOHT-LBPRGKRZSA-N 212.337 2.733 30 20 BFED CC(=NNc1ccccc1)[C@@H]1CCCOC1 779753524 QECNJHWSUWNYGG-GFCCVEGCSA-N 218.300 2.901 30 20 BFED COc1ccccc1COC(=O)CC(C)(C)C#N 781828536 PHCPYAXNMLGTTK-UHFFFAOYSA-N 247.294 2.678 30 20 BFED CC1(C)CCC[C@H]1NN=Cc1ccc(C#N)o1 782303075 WQTAIVAQYGRNEA-GFCCVEGCSA-N 231.299 2.653 30 20 BFED CC1(C)CCC[C@@H]1NN=Cc1ccc(C#N)o1 782303076 WQTAIVAQYGRNEA-LBPRGKRZSA-N 231.299 2.653 30 20 BFED CC[C@H]1CCC[C@H](C=NN2CCOCC2)C1 783776476 CLIJOJAPVKLIGJ-STQMWFEESA-N 224.348 2.521 30 20 BFED CC(=NNCCC(C)(C)C)[C@H]1CCCO1 783860818 FRUUAESKCIHOHD-LLVKDONJSA-N 212.337 2.567 30 20 BFED C=C[C@@H]1CCCCN1C(=O)c1ncc(C)cc1C 785866365 GKSRUTYCSLRYGN-CYBMUJFWSA-N 244.338 2.879 30 20 BFED C[C@H]1CCCC(=NNCCc2ccccn2)C1 789112689 JKPGDKOVWPJVJF-LBPRGKRZSA-N 231.343 2.780 30 20 BFED CC[C@H](C)NN=Cc1cc(Cl)cc(F)c1O 790183819 OPFRCMXFFZDNEO-ZETCQYMHSA-N 244.697 2.907 30 20 BFED CC[C@@H](C)CON=C(C)[C@@H](C)COC 793145765 MJVMYDFPIPGAKU-ZJUUUORDSA-N 201.310 2.708 30 20 BFED Cc1ccc(C=NNc2ncncc2F)c(C)c1 793217797 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2.543 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1ncc(C#N)s1 896496276 TYLUPFTVSXEFBG-QMMMGPOBSA-N 235.312 2.556 30 20 BFED C#Cc1ccc(C(=O)N2CC[C@@H](C3CC3)C2)cc1 897266536 LXPMIOYHSNWYJC-OAHLLOKOSA-N 239.318 2.540 30 20 BFED C=C[C@H](CC)Cc1nc([C@]2(C)CCCO2)no1 904036445 PIPXODUWKVYYNV-MFKMUULPSA-N 236.315 2.850 30 20 BFED C=CC(C)(C)C(=O)Nc1cc(C(=O)O)ccc1C 909079937 YXHFDVMNIRZIDY-UHFFFAOYSA-N 247.294 2.844 30 20 BFED C=C[C@H](CC)CC(=O)OCCOC(C)C 909524357 GGZWMKOKGHZSQI-LLVKDONJSA-N 214.305 2.557 30 20 BFED CCn1c(C)cc(C(=O)OCCCCC#N)c1C 912958618 VDBPEZUDYCRAAG-UHFFFAOYSA-N 248.326 2.976 30 20 BFED C#CCN(C(C)=O)[C@H]1CCCc2ccccc21 922114392 WRJKMWZSBFADNO-HNNXBMFYSA-N 227.307 2.546 30 20 BFED C#Cc1ccc(NC(=O)N[C@@H]2CCC2(C)C)cc1 934926062 SLCSYWPNYWWXGT-CYBMUJFWSA-N 242.322 2.978 30 20 BFED N#CCCCSCc1cn2ccccc2n1 1116761851 RORAGRJSZCJONC-UHFFFAOYSA-N 231.324 2.871 30 20 BFED CC(C)[C@H](F)C(=O)OCc1ccc(C#N)s1 1261559553 PZFUOWLRDCZEIR-JTQLQIEISA-N 241.287 2.657 30 20 BFED 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C[C@@H](c1cccc(C#N)c1)N(C)c1ncccn1 1655593110 JHTCXCDMVSEHSX-NSHDSACASA-N 238.294 2.546 30 20 BFED C=C(C)CC[C@H](C)Nc1nc(C(=O)O)co1 1776138895 ICWVVTNJGNYHFH-QMMMGPOBSA-N 224.260 2.530 30 20 BFED C=CCc1cccc(CN[C@@H](C)[C@@H](C)C(=O)O)c1 1776187687 HHEMCRCPAWSVGZ-NEPJUHHUSA-N 247.338 2.614 30 20 BFED CCCc1cc(=O)oc2cc(OCC#N)ccc12 5546487 KWOFXYRULCPWID-UHFFFAOYSA-N 243.262 2.648 30 20 BFED N#Cc1c(F)cccc1N[C@H]1CCSC1 36138591 FFKRYOXFJXTSRL-QMMMGPOBSA-N 222.288 2.615 30 20 BFED Cc1ncc(CNCc2ccc(C#N)cc2)s1 37505841 ITDYNJVBAQVUHL-UHFFFAOYSA-N 243.335 2.613 30 20 BFED Cc1csc([C@H](C#N)C(=O)[C@H]2CC=CCC2)n1 41520817 JXEJYFIOQRPTID-WDEREUQCSA-N 246.335 2.984 30 20 BFED Cc1ccc(CN(C)C[C@@H](C)C#N)cc1C 42461148 XWENAXPBFMGDTA-NSHDSACASA-N 216.328 2.895 30 20 BFED C[C@@H]1CCCN1c1nc2c(cc1C#N)CCCC2 43410179 DCWMEBCJFVPCMA-LLVKDONJSA-N 241.338 2.821 30 20 BFED CC[C@](C)(C#N)NC(=O)c1cc(C)ccc1F 52983024 IDRHVVMDSYEYSF-CYBMUJFWSA-N 234.274 2.556 30 20 BFED CCN(CCC#N)C(=O)C1CCCCCC1 53714581 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84649195 BWEGXFMSWDUSBJ-UHFFFAOYSA-N 237.100 2.883 30 20 BFED COC[C@H]1CCCN(CC(C)(C)CCC#N)C1 93338200 PWLUXQHRNDHXLR-ZDUSSCGKSA-N 238.375 2.675 30 20 BFED C=C(C)COC(=O)c1ccc(C)c(F)c1 96996005 JEMGYUCCXHGVHL-UHFFFAOYSA-N 208.232 2.867 30 20 BFED N/C(=N/CCC1=CCCCC1)N1CCCCC1 104153257 RBXJGJLBWKHPMS-UHFFFAOYSA-N 235.375 2.678 30 20 BFED C=CCCC(=O)N[C@H]1CCc2ccc(F)cc21 106679238 TUGMMWZCHCCXJT-ZDUSSCGKSA-N 233.286 2.895 30 20 BFED C#CCOc1ccc(NC(=O)NCCCC)cc1 108522044 SSQCOKYWFUUZKX-UHFFFAOYSA-N 246.310 2.620 30 20 BFED C#CCNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 108766485 NQBDBUKWNYYGQJ-HOTGVXAUSA-N 249.313 2.693 30 20 BFED C=CCCc1nc(Cc2ccc(OC)cc2)no1 109551626 PNZLWEROVCAWMW-UHFFFAOYSA-N 244.294 2.788 30 20 BFED Cc1occc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 116814203 CXXLFLMPXRGPKM-HZMBPMFUSA-N 246.310 2.790 30 20 BFED C=CCCOC(=O)[C@@H](C)c1ccsc1 121930364 FOTSWYHBIZFAJO-VIFPVBQESA-N 210.298 2.971 30 20 BFED N#CCN(Cc1ccc(C#N)s1)C1CCCC1 129190575 CKLGVFWNRSJVQV-UHFFFAOYSA-N 245.351 2.888 30 20 BFED C=CCCC(=O)COc1cccc(C)c1[N+](=O)[O-] 134850101 DDJODBJVBVUWKI-UHFFFAOYSA-N 249.266 2.817 30 20 BFED C=C[C@](C)(CC)C(=O)NCCCOCC1CC1 134911005 WIYDOVBASUEOJM-CQSZACIVSA-N 239.359 2.522 30 20 BFED Cc1ccnc(NCCOC2CCCC2)c1C#N 135079342 OBGFSCADFNXEJJ-UHFFFAOYSA-N 245.326 2.633 30 20 BFED N#Cc1ccc(NCC2(CO)CCCC2)cc1 135105301 JLINMTIZSWIROS-UHFFFAOYSA-N 230.311 2.523 30 20 BFED C=CCCC(=O)NC[C@H]1[C@H]2Cc3ccccc3[C@H]12 153049620 STEPRFMCQHTZGV-YCPHGPKFSA-N 241.334 2.655 30 20 BFED CCCN(CC1CC1)C(=O)C1(C#N)CC(C)C1 156874284 GOOFKEZZCNMNRB-UHFFFAOYSA-N 234.343 2.575 30 20 BFED COC[C@H](C)Sc1cccc(C#N)c1 158784805 GMOFFZDNHMMTAS-VIFPVBQESA-N 207.298 2.685 30 20 BFED C=C(C)CNC(=O)[C@H](C)c1c(F)cccc1F 161066446 HEOQSJSZZKWOEX-SECBINFHSA-N 239.265 2.761 30 20 BFED CCCc1nc(CN(C)[C@@H](C)CC#N)cs1 161930968 BCMAHQJJVOHAEW-JTQLQIEISA-N 237.372 2.830 30 20 BFED CN(Cc1ccc(C#N)cc1Cl)C1CC1 162863260 UBKKQFPQNZQJMU-UHFFFAOYSA-N 220.703 2.806 30 20 BFED CCCCCCCN[C@@H]1C[C@@H](O)C1(C)C 163440033 YJHKDPCLHLGRDV-VXGBXAGGSA-N 213.365 2.706 30 20 BFED C=CCCCN(C)C[C@@H]1COc2ccccc2O1 172173570 NEOPHTABVPPRAI-CYBMUJFWSA-N 247.338 2.724 30 20 BFED N#CCC1(COC(=O)[C@@H]2CC=CCC2)CC1 174755952 BBAIWOUHFSNCNQ-LLVKDONJSA-N 219.284 2.580 30 20 BFED C/C=C(\C)C(=O)Nc1ccc(F)cc1OCC#N 177770240 ZRSFWJHFGXMHJT-YCRREMRBSA-N 248.257 2.633 30 20 BFED C#CCCCN[C@@H](C)c1ccc(OC)cc1F 178053487 MBYMTHBXZVOYKO-NSHDSACASA-N 235.302 2.898 30 20 BFED COc1ccc2c(c1)[C@H](NCCCCC#N)CC2 178643065 PAOGAHNACRVSNQ-OAHLLOKOSA-N 244.338 2.966 30 20 BFED Cc1cccc(C)c1/C=C/C(=O)c1cnccn1 179329104 ZLPBIIVVVVBHOL-VOTSOKGWSA-N 238.290 2.990 30 20 BFED C=C(C)COC(=O)c1cccn1C(C)C 179512972 LDCFCFRPNWFLRS-UHFFFAOYSA-N 207.273 2.802 30 20 BFED CCC1(C(=O)Nc2cc(C#N)ccc2O)CCC1 179729238 VIVHWVBPQLEOOP-UHFFFAOYSA-N 244.294 2.783 30 20 BFED C#CCCCN[C@H]1C[C@@H](OCC(C)C)C1(C)C 181832396 MIPWGSXGBJEBJW-UONOGXRCSA-N 237.387 2.829 30 20 BFED CC[C@@H](CC#N)NC(=O)C1=CCCCCC1 186988161 QRNKQKFXJXXIPH-LBPRGKRZSA-N 220.316 2.685 30 20 BFED C=CCCC[C@H](C)NC(=O)c1cnn(C(C)C)c1 189198463 DXJNMCGYEISHBJ-LBPRGKRZSA-N 249.358 2.939 30 20 BFED C#CCCCCNc1cccc(C#N)c1[N+](=O)[O-] 229734824 OYONCPOFXUDKNZ-UHFFFAOYSA-N 243.266 2.682 30 20 BFED Cn1cc(CNCC2CCCCC2)cc1C#N 232314038 SOSSHWSIENBBFQ-UHFFFAOYSA-N 231.343 2.567 30 20 BFED N#Cc1cccnc1NC[C@H]1C[C@H]2CC[C@H]1C2 249934136 AGQZEFBEBXADHU-GMXVVIOVSA-N 227.311 2.801 30 20 BFED CCCN(CC#N)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 249995699 GFBVSYOLPQOYJE-RWMBFGLXSA-N 234.343 2.575 30 20 BFED C=C(C)CN1CCC(Nc2cccc(F)n2)CC1 264479188 KWIJPFPOZZVIIY-UHFFFAOYSA-N 249.333 2.673 30 20 BFED CCCCCCCC(=O)NCc1nc[nH]c1C 266939043 ALKSWIWQARNCJC-UHFFFAOYSA-N 237.347 2.695 30 20 BFED C=C(C)[C@H](CC(=O)N[C@@H]1CC=CCC1)OCC 270058085 OGGGZDULLAKGGX-OLZOCXBDSA-N 237.343 2.583 30 20 BFED CC(C)Cn1cc(Nc2cccc(C#N)n2)cn1 270077583 UEWVAQSITKAIMH-UHFFFAOYSA-N 241.298 2.549 30 20 BFED C=CCN(Cc1cccc2nsnc12)C1CC1 271544056 ZKMSRTRGLZVUPD-UHFFFAOYSA-N 245.351 2.842 30 20 BFED N#Cc1ccc(CS[C@@H]2CCCOC2)cc1 272527871 YPVXFLXQVNUJCX-CYBMUJFWSA-N 233.336 2.970 30 20 BFED C=CCCN[C@H](CCOC)c1ccco1 273302600 RNEXHUDKSOOXKH-LLVKDONJSA-N 209.289 2.523 30 20 BFED C=CCCS[C@H](Cc1ccccc1)C(=O)NC 273500776 YMBQVDNTVATTCZ-CYBMUJFWSA-N 249.379 2.653 30 20 BFED CC#CCNc1ccccc1[C@@H](O)C(F)(F)F 273547157 XZERCSDRIKPVJK-LLVKDONJSA-N 243.228 2.718 30 20 BFED C=CCCN(C)C(=O)N[C@H]1CCCc2occc21 276016014 BPJIJLKLJMVKFL-LBPRGKRZSA-N 248.326 2.875 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CNc1cccc(C)n1 280821099 UWFWLBXCWAYWSI-OCCSQVGLSA-N 232.327 2.783 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccco1 280910587 SBFHRFAUNYHIOB-BZPMIXESSA-N 235.327 2.911 30 20 BFED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccccn1 280956924 YIRACGQTAXNQLE-IPYPFGDCSA-N 246.354 2.713 30 20 BFED C=CC[C@@H](CC)NC(=O)c1cccc(Cl)n1 281040675 IXPINCRMHHFKOK-SECBINFHSA-N 238.718 2.820 30 20 BFED C=C(CNCc1c(C)cnn1C)c1ccccc1 285406988 IRWSAFWJLDDLBP-UHFFFAOYSA-N 241.338 2.532 30 20 BFED C=CCC[C@H](NCCn1ccnc1)c1ccco1 285553667 GTUPPPOKTARZSS-ZDUSSCGKSA-N 245.326 2.773 30 20 BFED C[C@H]1COCC[C@@H]1CNc1ccc(C#N)cc1 286299341 IDGUNBRXEMZEQT-WCQYABFASA-N 230.311 2.643 30 20 BFED C=C(CNC(=O)NC1CCCC1)c1ccccc1 287334088 PTNZGOILUMOCRQ-UHFFFAOYSA-N 244.338 2.942 30 20 BFED c1ccc2c(c1)OCC/C2=N/OC1CCC1 291717941 ZJQSNFPMIFUVBQ-OWBHPGMISA-N 217.268 2.742 30 20 BFED C=CCOCCN(C)[C@@H]1CCc2ccccc21 292943849 BARDWUOYFHANTJ-OAHLLOKOSA-N 231.339 2.808 30 20 BFED Cc1nc(N2CCC[C@@](C)(F)C2)ccc1C#N 294934401 KWYCCLUQVBBUHU-CYBMUJFWSA-N 233.290 2.590 30 20 BFED CC(C)Oc1cccc(CN(CC#N)C2CC2)c1 299504851 CRQCLMKNPXPKLZ-UHFFFAOYSA-N 244.338 2.962 30 20 BFED CC1(C)[C@H]2CN(c3c(F)cc(C#N)cc3F)C[C@@H]21 301467684 QTVCKKXUBPNBJW-UWVGGRQHSA-N 248.276 2.929 30 20 BFED CCCCC/N=C(/N)Nc1cccc(OC)c1 303712948 QKDCTBZJLKWTAK-UHFFFAOYSA-N 235.331 2.612 30 20 BFED C=CCC[C@@H](O)CN(C)Cc1ccsc1 305080193 MFLDDNAGTPZSJA-GFCCVEGCSA-N 225.357 2.507 30 20 BFED C=CCCNc1cc(CO)c(C)cc1C 309083472 TVQSOWNXWPJOPM-UHFFFAOYSA-N 205.301 2.784 30 20 BFED CC(C)=CCCNc1cccc(CC#N)n1 309334319 IPZRZPMQRNKFRQ-UHFFFAOYSA-N 215.300 2.916 30 20 BFED CC#CCN[C@H](Cc1ccccc1)C(C)C 309624091 PSGLQZMAYDFZFK-OAHLLOKOSA-N 215.340 2.867 30 20 BFED C=CC[C@H](CO)CN[C@H](CC)c1cccs1 310039645 XEMQPODYZURDBS-NWDGAFQWSA-N 239.384 2.973 30 20 BFED Cc1ccc(Oc2ncncc2C#N)cc1C 310198656 GLRWDYLCLDGFIZ-UHFFFAOYSA-N 225.251 2.757 30 20 BFED C=CCC[C@H](CO)N[C@@H](C)c1ccc(OC)cc1 321088912 DBEDJGCJYMZPIZ-GXTWGEPZSA-N 249.354 2.673 30 20 BFED N#Cc1cccnc1N[C@H](C1CCC1)C1CC1 324733519 KIFHRTGTBNEPNZ-CYBMUJFWSA-N 227.311 2.944 30 20 BFED Cc1nnccc1N=C(O)C1CCCC1 329507866 BCSJUGYNZBLZAS-UHFFFAOYSA-N 205.261 2.563 30 20 BFED CC(C)(CC(=N)O)/N=C(/O)C1=CCCC1 330862277 QEJDDUFPFIHEAL-UHFFFAOYSA-N 210.277 2.757 30 20 BFED C=CC1CCN(C(=O)C2(C)C[C@@H]3C[C@H]3C2)CC1 334303855 FTOWMIGZCFCLMQ-STQMWFEESA-N 233.355 2.847 30 20 BFED C=CCC(C)(C)C(=O)N1CC[C@H](C)[C@@H]1C 334318704 SJQLMIIQMNHHNF-QWRGUYRKSA-N 209.333 2.846 30 20 BFED C=CCC(C)(C)C(=O)N1CCCC2(CC2)C1 334368431 SKGQKVBASZKLHM-UHFFFAOYSA-N 221.344 2.991 30 20 BFED C[C@H](C#N)C(=O)N[C@H]1CCc2c(Cl)cccc21 334491418 GCGWPIUTULFLGJ-PELKAZGASA-N 248.713 2.603 30 20 BFED CCN(C(=O)c1cccc(C#N)c1)C1CCC1 334852692 KHYLTEMGNYKBIO-UHFFFAOYSA-N 228.295 2.573 30 20 BFED C[C@@H]1CCCCN(C(=O)NCC2(C#N)CCC2)C1 334975247 PPMSNBMGAXDUJJ-GFCCVEGCSA-N 249.358 2.512 30 20 BFED N#Cc1csc(CNCC2CC(F)(F)C2)c1 336698099 MKWSJDGKDOQBGQ-UHFFFAOYSA-N 242.294 2.755 30 20 BFED C=CCN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1CC 338446468 GOIOLKOVXSGGCQ-LSDHHAIUSA-N 243.350 2.997 30 20 BFED CC#CCCCC(=O)N(C)[C@@H](C)C1CCC1 341330225 JIYNVKXNBLXHBT-LBPRGKRZSA-N 221.344 2.827 30 20 BFED C=CC[C@@H](CO)CN[C@@H](C)Cc1ccccc1C 341872019 DZRDAKBEERHJIO-LSDHHAIUSA-N 247.382 2.700 30 20 BFED CC[C@H](CC#N)NC(=O)c1ccn(C(C)C)c1C 346719885 MGIYOOSPRIWYFN-GFCCVEGCSA-N 247.342 2.800 30 20 BFED C[C@@H](NCCCC(C)(C)C#N)[C@@H]1CCCOC1 348139463 IUPHAZWGGSZIKZ-CHWSQXEVSA-N 238.375 2.721 30 20 BFED C=CCCCCNC(=O)c1[nH]c(C)cc1C 354125363 RAPONIFNKFFSBD-UHFFFAOYSA-N 220.316 2.718 30 20 BFED C=C[C@H](C)NC(=O)c1ccc(C(C)(C)C#N)cc1 356373137 UDYAWQMBRQFGPH-NSHDSACASA-N 242.322 2.792 30 20 BFED C=CCCC1(C(=O)Nc2nc(C)ccc2O)CC1 357136930 BKAYYBZQLZJZHR-UHFFFAOYSA-N 246.310 2.781 30 20 BFED CCC(CC)[C@H](C)C(=O)N[C@@]1(C#N)CC1(C)C 362171000 UYQRSHZSNXANRH-IINYFYTJSA-N 236.359 2.867 30 20 BFED COc1cccc2c(NCCC#N)ccnc12 362674933 RDXOTDIGQOGQGS-UHFFFAOYSA-N 227.267 2.569 30 20 BFED C#C[C@@H](NCc1cccc(F)c1)C(C)(C)C 381239035 MOEZWHDIMGODNW-CYBMUJFWSA-N 219.303 2.963 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)C(C)C 381413663 VJJMYBUQBCKYAS-MCIONIFRSA-N 225.376 2.992 30 20 BFED N#Cc1cc(NCC[C@H]2CCOC2)ccc1F 400589447 PCPVZHDSMNZSSN-JTQLQIEISA-N 234.274 2.536 30 20 BFED N#CCc1cccc(NCC[C@@H]2CCOC2)c1 400599630 GWYSIUMGSYGODD-CYBMUJFWSA-N 230.311 2.591 30 20 BFED C#C[C@](C)(CC)NCc1ccnc(Cl)c1 401968395 IGIPIABCTRLCRD-GFCCVEGCSA-N 222.719 2.627 30 20 BFED CN(C)C(=O)c1cccc(CSCCC#N)c1 413016222 VTDMTVDCVZGDLU-UHFFFAOYSA-N 248.351 2.535 30 20 BFED C=CCC(F)(F)c1nc([C@@H](N)CC(C)C)no1 414623721 NQEPFFTWUUCLAM-QMMMGPOBSA-N 245.273 2.783 30 20 BFED C=CCC(C)(C)CNC(=O)[C@@H](CC(C)C)OC 415730484 DMZVKGZLVMJZBT-GFCCVEGCSA-N 241.375 2.766 30 20 BFED N#CC1(CSC[C@H]2CCCCO2)CCC1 419369497 ZOUPKWZHJKMVMK-LLVKDONJSA-N 225.357 2.983 30 20 BFED C=CC[C@@H](CC)NC(=O)NC[C@@H](C)CC 420868912 UDRBKTQWXQKUIN-WDEREUQCSA-N 212.337 2.686 30 20 BFED C=CCC1(CN[C@@H](C)C[C@@H](C)N)CCCC1 423166649 VOBDOFLPCOKGPH-OLZOCXBDSA-N 224.392 2.838 30 20 BFED CCC(CC)(CN[C@H]1CCC[C@@H](C#N)C1)OC 430161780 IKKHFVPQNTYJAF-OLZOCXBDSA-N 238.375 2.864 30 20 BFED CCC[C@@H](C(=O)NCC1(CC#N)CC1)C(C)C 431170822 XCJNDWLNRVIOCD-GFCCVEGCSA-N 236.359 2.869 30 20 BFED CC[C@@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1 435040823 GJMDYLPDKHFFND-LLVKDONJSA-N 242.322 2.505 30 20 BFED C=CCCCN(C)Cc1cc(C(F)(F)F)n[nH]1 442878089 CVTAZCXKVDMBHI-UHFFFAOYSA-N 247.264 2.827 30 20 BFED CC#CCCN(C)Cc1cc(F)cc(F)c1 444708826 PSECBBOYFDEWIC-UHFFFAOYSA-N 223.266 2.810 30 20 BFED C=C[C@@H]1OCC[C@H]1NC1C[C@H](C)C[C@@H](C)C1 449520219 OUDYCCADAYTANC-OXHZDVMGSA-N 223.360 2.744 30 20 BFED C=C(C)[C@@H](CC(=O)N[C@H](CC)C(F)F)OCC 452237993 AHQFQJRCTYDUDK-NXEZZACHSA-N 249.301 2.518 30 20 BFED C=CCCC1(C(=O)NC/C=C\CC)CC1 452600578 IZHNYWCOMOIJBU-ALCCZGGFSA-N 207.317 2.815 30 20 BFED CCC[C@H](NC(=O)c1cc(C#N)c[nH]1)C(C)(C)C 452656445 AILMOKGFTFCYEP-LBPRGKRZSA-N 247.342 2.831 30 20 BFED C=CC(C)(C)CNC(=O)c1[nH]c(C)cc1C 452776938 SYGJMEXKCAQMRR-UHFFFAOYSA-N 220.316 2.574 30 20 BFED C=C(CC)CNC(=O)c1cc(C)cc(C)c1 453031043 ZGESWKYKWJTKAC-UHFFFAOYSA-N 217.312 2.999 30 20 BFED C[C@@H](CCCc1cccnc1)NCCCC#N 453199688 XSDBBWPSTQPDMR-ZDUSSCGKSA-N 231.343 2.686 30 20 BFED C=C(C)CCNC(=O)N1CCC(CC)CC1 455318744 YQSKAPICBYJLQV-UHFFFAOYSA-N 224.348 2.784 30 20 BFED C=C(CC)CNC(=O)N(C)[C@H](C)c1ccco1 455519411 HYDWOTIFNFTOMR-LLVKDONJSA-N 236.315 2.948 30 20 BFED C=CC(C)(C)CNC(=O)c1ccc(O)c(CC)c1 456119760 SUJRYSFGHYGHLR-UHFFFAOYSA-N 247.338 2.897 30 20 BFED Cc1ccc(Cl)c2c1N(CC#N)CCC2 459538539 JEQDFQKWQMJIEP-UHFFFAOYSA-N 220.703 2.925 30 20 BFED CC(C)(CC#N)CNC1CC(OC(C)(C)C)C1 459739902 ZPJJDVRQWXXWID-UHFFFAOYSA-N 238.375 2.862 30 20 BFED C=CCCC[C@H](C)N[C@H](C)c1ccn(C)n1 459792001 NSCLKOHSHXVHEC-NWDGAFQWSA-N 221.348 2.816 30 20 BFED C=CCCCCNC(=O)NC1(C)CCCC1 473953317 ZEKKNIZJLJDGSB-UHFFFAOYSA-N 224.348 2.975 30 20 BFED C=CC[C@H](CO)CN[C@@H]1CCC[C@H](C(C)C)C1 474895556 MUWIEQNHYQROHK-SOUVJXGZSA-N 239.403 2.975 30 20 BFED C[C@@H](Nc1ccc(CC#N)cc1)[C@H]1CCCOC1 474927304 PURPZZRBRYSYBM-OCCSQVGLSA-N 244.338 2.980 30 20 BFED Cc1ccc2[nH]cc(C#N)c(=NCC(F)F)c2c1 488087842 WWGUCDRJGQIEON-UHFFFAOYSA-N 247.248 2.514 30 20 BFED C=CCCCS(=O)(=O)N[C@@H](C)CCC(C)C 489040794 FZAFVAOBLPPUOB-LBPRGKRZSA-N 247.404 2.697 30 20 BFED C=C[C@@H]1CCCCN1Cc1cc(OC)cc(C)n1 489407562 QNRDSGZCUKKFEY-CQSZACIVSA-N 246.354 2.939 30 20 BFED C#CCN(CC)C(=O)N[C@H](C)CCCCC 490574892 DPUMTMMWPCHRAY-GFCCVEGCSA-N 224.348 2.620 30 20 BFED C#C[C@@H](C)N(C)Cc1csc(CCC)n1 491673716 UUFCFYXOHZKKCY-SNVBAGLBSA-N 222.357 2.549 30 20 BFED C#C[C@@H](CC)NC(=O)C[C@H](C)c1ccccc1 491688801 DRTKGETYBYTMHZ-JSGCOSHPSA-N 229.323 2.708 30 20 BFED C#C[C@@H](C)N(C)C(=O)N[C@@H](C)CCC=C(C)C 491724974 GYVOFKSUALDJNE-QWHCGFSZSA-N 236.359 2.784 30 20 BFED C#C[C@H](CC)NC(=O)C(C)(C)CC(C)C 491727775 LSTKCWFAALXDHH-LLVKDONJSA-N 209.333 2.587 30 20 BFED Cc1cocc1C(=O)N[C@H](C#N)C1CCCCC1 528778746 NOXOIVSLEIHXKG-CYBMUJFWSA-N 246.310 2.790 30 20 BFED C=CCC(C)(C)C(=O)N[C@@H]1C[C@]1(C)OC(C)C 529972083 XJHCUJKIPGRVIR-RISCZKNCSA-N 239.359 2.661 30 20 BFED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC(C)(C)C#N 542830196 UNROAHQFBACDQX-ZJUUUORDSA-N 248.351 2.578 30 20 BFED CC1CC(C#N)(C(=O)N2CC[C@H](C)C(C)(C)C2)C1 544796454 RBEHPVDCUFDSDF-AVERBVTBSA-N 248.370 2.821 30 20 BFED N#Cc1ccc(NC(=O)[C@@]23CCC[C@H]2C3)cc1 575912651 OQIRNYKHVFLVHR-SMDDNHRTSA-N 226.279 2.687 30 20 BFED N#CCCNC[C@H](c1ccccc1)C1CC1 576100936 JBMMHPKBKFBYCC-CQSZACIVSA-N 214.312 2.683 30 20 BFED CCOC(C)(C)C/N=C\c1ccccc1O 588534377 HDAHDGKTNSVEFK-ZROIWOOFSA-N 221.300 2.626 30 20 BFED N#Cc1ccc2c(c1)CCCN2Cc1ccccn1 590601128 OMQUZTXDZAOZOG-UHFFFAOYSA-N 249.317 2.906 30 20 BFED CC1(NC(=O)Nc2cccc(C#N)c2)CC=CC1 594057158 VLEMVDFVKLUDAA-UHFFFAOYSA-N 241.294 2.788 30 20 BFED CC(C)OC(=O)CC1(C#N)CCCCC1 594900858 KIOWFDGNILEYMG-UHFFFAOYSA-N 209.289 2.802 30 20 BFED CC[C@H](NC(=O)Nc1cccc(C#N)c1)C1CC1 596473828 VDUMZHZSLPORIL-ZDUSSCGKSA-N 243.310 2.868 30 20 BFED CC(C)(CCC#N)CN1CCC[C@@H](CC#N)C1 597172494 AYVKRWCUEOHTNO-ZDUSSCGKSA-N 233.359 2.942 30 20 BFED CC[C@@H]1C[C@H]1NC(=O)CC1(C#N)CCCCC1 597610176 QBIJEEQNLPFTAS-VXGBXAGGSA-N 234.343 2.765 30 20 BFED CCC(C)(C)CC(=O)N(C1CC1)[C@H](C)C#N 598131408 KXDGXDIHXUDOIY-SNVBAGLBSA-N 222.332 2.716 30 20 BFED C=CCN(C(=O)CSCCC)C(C)(C)C 598865777 IDWHJCPQMXEZAV-UHFFFAOYSA-N 229.389 2.943 30 20 BFED C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)C[C@@H](C)C1(F)F 599058011 HJHHNRMHQKMAFP-DDHJBXDOSA-N 242.313 2.902 30 20 BFED Cc1cc(C)c(C(=O)N(C)C[C@@H](C)C#N)s1 601010676 MJNUEUMCNTUSDF-QMMMGPOBSA-N 236.340 2.597 30 20 BFED CC(C)(C)[C@@H](C#N)NC(=O)C1CCC=CCC1 602117804 RADODCPJHOQYDK-GFCCVEGCSA-N 234.343 2.787 30 20 BFED 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2.614 30 20 BFED CC(C)(C)[C@@H]1CCN(C(=O)C2(C#N)CCCC2)C1 131294312 PAYYGOYMNLGZKV-GFCCVEGCSA-N 248.370 2.965 30 20 BFED C=CCCCC[C@@H](C)NCc1csnn1 133571082 TUEBWLKSFVMOJZ-SNVBAGLBSA-N 225.361 2.763 30 20 BFED CC[C@](C)(C#N)C(=O)N[C@@H](C)CCc1ccco1 136215473 RAEYXNCMVSJNHT-SMDDNHRTSA-N 248.326 2.657 30 20 BFED C#CCNC(=O)C[C@@H](CC)c1ccc(C)cc1 154963835 RIQWCEYDNMNWAB-CYBMUJFWSA-N 229.323 2.628 30 20 BFED C=C[C@H](C)NC(=O)C1(c2ccccc2)CCC1 155754722 KSGAGOVOYNQNSS-LBPRGKRZSA-N 229.323 2.799 30 20 BFED CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(C#N)cc1 158642658 DCSZTMHPHWKWTH-OCCSQVGLSA-N 228.295 2.933 30 20 BFED C=CCCNCc1ccc(OCC)c(OC)c1 161725376 HBYFOOKGQXIXGB-UHFFFAOYSA-N 235.327 2.760 30 20 BFED CCc1ccsc1C(=O)NCC(C)(C)C#N 167175838 MUOAVCGTQBIDJY-UHFFFAOYSA-N 236.340 2.590 30 20 BFED C=CCOCCCC(=O)N[C@@H](C)CCC(C)C 173254326 ZIOGGSCFFHHWEW-ZDUSSCGKSA-N 241.375 2.910 30 20 BFED CCCCCC[C@H](C)C(=O)N[C@@H](C)C#N 173282083 DCCVIISXRVNTAG-QWRGUYRKSA-N 210.321 2.621 30 20 BFED 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30 20 BFED C[C@H]1C[C@@H](CCNc2cnccc2C#N)CCO1 273199086 SDGUPUJDFXXRRO-RYUDHWBXSA-N 245.326 2.570 30 20 BFED C=CCCCCNC(=O)N[C@H](CC)CSC 274629788 YSTBCWSQWXXUEH-LLVKDONJSA-N 244.404 2.784 30 20 BFED C=CCN[C@H]1CCN(Cc2ccccc2)C[C@@H]1C 274865337 VMLILOQMLVOKCO-HOCLYGCPSA-N 244.382 2.673 30 20 BFED C=CCN(C)C(=O)c1ccc(OC2CCC2)cc1 275066487 XSCUECCNHODQFQ-UHFFFAOYSA-N 245.322 2.876 30 20 BFED N#CCCN[C@@H]1CCC[C@H]1Cc1ccccc1 278838265 ZJZXHFYXYXNUOJ-LSDHHAIUSA-N 228.339 2.901 30 20 BFED Cc1ccc(C#N)c(S[C@@H]2CCO[C@H]2C)n1 286382718 YIIKDEUPUJDVEQ-GXSJLCMTSA-N 234.324 2.531 30 20 BFED N#Cc1ccc(NCC2=CCCOC2)cc1Cl 288520481 NQXYKXFORIGAMS-UHFFFAOYSA-N 248.713 2.970 30 20 BFED C#CCCCc1nc(C(CC)CC)no1 289147634 MVKBXZSZBJBAIZ-UHFFFAOYSA-N 206.289 2.929 30 20 BFED CCC[C@H](OC)C(=O)Nc1ccc(CC#N)cc1 294249189 CSIUAWUMKXUOGJ-ZDUSSCGKSA-N 246.310 2.506 30 20 BFED C=CCC(C)(C)CNC(=O)c1ccc(F)cn1 294406596 XWECGNOTWQWXOR-UHFFFAOYSA-N 236.290 2.553 30 20 BFED C=CC(C)(C)C(=O)N(C)c1nc(C)cs1 298266837 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2.511 30 20 BFED Cc1nc(S[C@H](C)CCC#N)nc(O)c1C 331330323 HJFCBIPLCOHCLH-SSDOTTSWSA-N 237.328 2.583 30 20 BFED CC[C@@H](CC#N)NC(=O)CC(C)(C)CC 332446533 FOSNCUQFSNBAGG-JTQLQIEISA-N 210.321 2.621 30 20 BFED Cc1csc(C(=O)[C@H](C#N)c2ccccn2)c1 334322623 ISUASOIINQAYKO-SNVBAGLBSA-N 242.303 2.942 30 20 BFED C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H]2C1 335079628 METIRVFAZUTDAI-VXGBXAGGSA-N 221.344 2.847 30 20 BFED Cc1ccc(NC(=O)N2CC(C)(C#N)C2)c(C)c1 335175934 QNYZMAJKUPEAOZ-UHFFFAOYSA-N 243.310 2.681 30 20 BFED C=CCNC(=O)Nc1cc2[nH]ccc2cc1C 335236172 LOYLTMSFDJYSTQ-UHFFFAOYSA-N 229.283 2.784 30 20 BFED Cc1c(Cl)cnn1Cc1ccc(CC#N)cc1 335985433 XXXVXYWFGGRLOM-UHFFFAOYSA-N 245.713 2.959 30 20 BFED Cc1cc(C)c2oc(N(C)CCC#N)nc2c1 336185586 SKXOEXYIUFUBNS-UHFFFAOYSA-N 229.283 2.795 30 20 BFED CC1(C#N)CCC(NC[C@@H]2CCCS2)CC1 336214484 VWJSMTKDZQTEFX-CPCZMJQVSA-N 238.400 2.944 30 20 BFED C=C(CC)CNc1cccc(Cl)c1C(N)=O 336778355 LEHHQRBPHZJKHX-UHFFFAOYSA-N 238.718 2.817 30 20 BFED CC(C)C[C@@H](C)CN(CCC#N)CCC#N 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CC(C)(C#N)CC(=O)N(CC1CC1)C1CCC1 362126180 QVSGRFOPLTVPRE-UHFFFAOYSA-N 234.343 2.717 30 20 BFED N#Cc1ccc(CN2CC[C@H](C3CC3)C2)c(F)c1 362411982 DUDWSTKHUBJHDN-ZDUSSCGKSA-N 244.313 2.929 30 20 BFED N#Cc1csc(C(=O)N2CCC[C@@H]2C2CC2)c1 363613227 JVBFTIJVJHJCPA-LLVKDONJSA-N 246.335 2.634 30 20 BFED C=CC[C@@H](CC)NC(=O)NC12CCC(CC1)C2 366979199 DXYKLFLWICUGJI-MBHSVXNSSA-N 236.359 2.973 30 20 BFED C#C[C@@](C)(CC)NC(=O)c1coc2ccccc12 384170752 MUXQUXSMOIKYKX-HNNXBMFYSA-N 241.290 2.965 30 20 BFED C=CC(C)(C)CNc1ncccc1C#N 384992559 TZLIYAYTXMEKEP-UHFFFAOYSA-N 201.273 2.577 30 20 BFED C=CC[C@@H](CC)NC[C@H](O)c1ccc(F)cc1 393851942 YWWZNGYPSIVMMW-KGLIPLIRSA-N 237.318 2.803 30 20 BFED C=CCCC[C@H](C)NC(=O)c1cccnc1F 398063934 CQAPIWVZKNRMTQ-JTQLQIEISA-N 236.290 2.695 30 20 BFED C#C[C@@](C)(CC)NCC[C@@H]1CC1(Cl)Cl 399269040 PDPRNYVJJWWWLU-ZJUUUORDSA-N 234.170 2.962 30 20 BFED CCCCCCCN1C[C@@H](O)[C@@H](CC)C1 400308190 YUJMKWVEKISRNM-QWHCGFSZSA-N 213.365 2.660 30 20 BFED CCC1(CNCc2ccc(C#N)c(F)c2)CC1 404095732 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30 20 BFED N#CCCCCOC(=O)c1ccc(CC#N)cc1 758684761 DBLPCRDFSFLGKM-UHFFFAOYSA-N 242.278 2.603 30 20 BFED C#CCOc1ccc([C@@H](C)N[C@H](C)C=C)cc1 766574492 YJNZBSOLJMREIB-CHWSQXEVSA-N 229.323 2.924 30 20 BFED C=CC1CCN(C(=S)NC(C)(C)CC)CC1 774177005 PEUKCQPSKKRWRR-UHFFFAOYSA-N 240.416 2.948 30 20 BFED C[C@H]1CC(=NOC2CCCCC2)CCO1 777458931 LGLHQBSVVQWNJE-JTQLQIEISA-N 211.305 2.891 30 20 BFED CC(=NOCCC(F)(F)F)c1cscn1 777462983 UWFOAXSRWQIRMW-UHFFFAOYSA-N 238.234 2.836 30 20 BFED COC[C@@H](C)NN=C(C)CCc1cccc(C)c1 777903437 RINLSNUDWHGSPN-CQSZACIVSA-N 248.370 2.928 30 20 BFED c1cc(=NN=C2CCC[C@H](C3CC3)C2)cc[nH]1 779809585 PWOZBRORFCUICH-LBPRGKRZSA-N 229.327 2.872 30 20 BFED C[C@H](C#N)CNN=C[C@@H]1CCCC[C@@H]1C 783857167 VRRSTVCCTTUYJY-WOPDTQHZSA-N 207.321 2.548 30 20 BFED C=C[C@@H]1CCCCN1C[C@@H](O)c1ccc(F)cc1 785997763 RZYBKMAIVDUBNL-HUUCEWRRSA-N 249.329 2.900 30 20 BFED C=C[C@@H](C)NC(=O)Nc1ccc(Cl)nc1C 788804683 OIRXUTCWURTFBV-SSDOTTSWSA-N 239.706 2.739 30 20 BFED CO[C@@H](C)C(C)=NNCC1(C)CCCC1 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249.310 2.617 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)[C@H]1CC[C@H](C)CC1 1349905346 AQPYYXWKPHATHZ-AVGNSLFASA-N 236.359 2.963 30 20 BFED Cc1coc(C)c1C(=O)O[C@H]1CC[C@H](C#N)C1 1357661932 JERPGCYOAVJVCY-QWRGUYRKSA-N 233.267 2.746 30 20 BFED C=CCC[C@@H](C)OC(=O)c1cc(C2CC2)nn1C 1516927636 PIDHPHXFKIXGQE-SNVBAGLBSA-N 248.326 2.809 30 20 BFED C=C[C@H](N[C@H]1CCCc2ccc(C)cc21)C(=O)O 1602819235 QQKHEILCPGLYJY-KBPBESRZSA-N 245.322 2.601 30 20 BFED C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C#N)c1 8277326 WYWJJYAYFGPSKA-FZMZJTMJSA-N 242.322 2.867 30 20 BFED CC[C@@H](C#N)NC(=O)[C@H](CC)c1ccccc1 40350939 PRCZYFBZHZFLGJ-QWHCGFSZSA-N 230.311 2.599 30 20 BFED N#CCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 40713203 RFDRBPUDGFNZNT-UHFFFAOYSA-N 246.163 2.697 30 20 BFED Cc1nn(Cc2ccc(C#N)cc2)c(C)c1C 40729944 QPUPGIRCPWGNMM-UHFFFAOYSA-N 225.295 2.728 30 20 BFED COc1cc(Cl)c(C)cc1N[C@H](C)C#N 47826367 KFMWRFIVXJDNTJ-MRVPVSSYSA-N 224.691 2.981 30 20 BFED CC[C@@H](CC#N)N[C@@H](C)CCc1ccc(O)cc1 54183046 AAMFCFDVNYMJKQ-JSGCOSHPSA-N 246.354 2.995 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30 20 BFED C=C[C@@H](C)NC(=O)Nc1cccc(F)c1F 334493909 SUIVBZPJEMDOKG-SSDOTTSWSA-N 226.226 2.661 30 20 BFED N#Cc1ccc(NC(=O)N[C@H]2CCC[C@H]2F)cc1 334500087 YXVJRSJRCTXKPS-NEPJUHHUSA-N 247.273 2.570 30 20 BFED C[C@H]1CCCN(C(=O)CC(C)(C)C#N)[C@H]1C 334549064 TXXHHXHBPOWTJQ-QWRGUYRKSA-N 222.332 2.573 30 20 BFED C=C[C@@H]1CCCCN1C(=O)Nc1cc(C)ccn1 334664081 PMBYYRPLEVDQGA-GFCCVEGCSA-N 245.326 2.962 30 20 BFED C[C@@H]1CCCC[C@H]1C(=O)NC1(C#N)CCCC1 335119318 ZEPXUEVTXLMYHX-VXGBXAGGSA-N 234.343 2.765 30 20 BFED C=CC(C)(C)CNC(=O)N1CCC[C@@H](C)C1 335598207 VSCBEHRSRKQDTE-LLVKDONJSA-N 224.348 2.640 30 20 BFED N#CC1CCN(C(=O)[C@@H]2CC23CCCCC3)CC1 335722098 UYQMNGONQHLDEZ-ZDUSSCGKSA-N 246.354 2.719 30 20 BFED CN(CC1(C#N)CC1)c1cccc2cccnc12 336265443 WDYJJRQNBAJJJJ-UHFFFAOYSA-N 237.306 2.975 30 20 BFED C[C@H](C#N)N(C)C(=O)c1sccc1C1CC1 336282260 NXNGRCGRYLSLQJ-MRVPVSSYSA-N 234.324 2.610 30 20 BFED CCC[C@H](C#N)N(C)C(=O)c1cc(C)ccc1F 339174022 ILPAKIUTDSOXCA-LLVKDONJSA-N 248.301 2.898 30 20 BFED 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30 20 BFED N#Cc1c(Cl)nsc1S[C@@H]1CCOC1 752972131 IEPVNAIANOKMPH-RXMQYKEDSA-N 246.744 2.549 30 20 BFED C#C[C@H](CC)NC(=O)NCCCC(C)(C)C 753157292 YMYIBNHHFBNKCU-LLVKDONJSA-N 224.348 2.524 30 20 BFED C=CCC(CC=C)C(=O)OCCCCC#N 758527074 UMLAJAMJEQZNET-UHFFFAOYSA-N 221.300 2.992 30 20 BFED C#CCCc1noc(-c2ccnc3ccccc23)n1 762002018 WIURTHLPSIATHY-UHFFFAOYSA-N 249.273 2.851 30 20 BFED C#CCCc1noc(-c2cc(C)oc2C)n1 762009853 XQLIYSVYPIMVSK-UHFFFAOYSA-N 216.240 2.512 30 20 BFED C=CCCOC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 763394668 RCEFZAQPFWXGRM-JTQLQIEISA-N 249.266 2.818 30 20 BFED CC#CC(=O)Nc1ccc(C)cc1Cl 763899993 XBWXRDXTBUYVEI-UHFFFAOYSA-N 207.660 2.610 30 20 BFED C#CCN(C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1)C1CC1 764741223 RUBYFSNYMOPJFM-RWMBFGLXSA-N 248.370 2.618 30 20 BFED C#CCCCNc1ccccc1-n1cccn1 766726971 WWKSHSBRDSVTQU-UHFFFAOYSA-N 225.295 2.698 30 20 BFED C#CCCCN(CC)c1cccc(OC)c1 766914652 VFIPUCYFOPXXIT-UHFFFAOYSA-N 217.312 2.935 30 20 BFED C#C[C@H](C)/N=C\c1c(O)ccc2ccccc12 773905309 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30 20 BFED C#C[C@@](C)(CC)NC(=O)c1nc(C2CC2)cs1 1521638298 BDJTUIGWGGNBGY-ZDUSSCGKSA-N 248.351 2.552 30 20 BFED C=CC[C@@H](SCC1CCCC1)C(=O)O 1588758303 FHRKGRRTFKENDK-SNVBAGLBSA-N 214.330 2.939 30 20 BFED C=C[C@H](Nc1ccc2[nH]c(C)cc2c1)C(=O)O 1602820553 IJICXYUMIHPHCU-NSHDSACASA-N 230.267 2.527 30 20 BFED C=CCCCCN1CCC[C@@H]1[C@@H](C)C(=O)O 1776174848 MMXAUFHUTQAAES-VXGBXAGGSA-N 225.332 2.528 30 20 BFED C=CCCN1CCc2c(C)cccc2[C@H]1C(=O)O 1776177491 MKEVTJAKLYEDOH-AWEZNQCLSA-N 245.322 2.555 30 20 BFED CN(CCC#N)C(=O)C12CC3CC(CC(C3)C1)C2 19833666 RNIIUVGKINTFAP-UHFFFAOYSA-N 246.354 2.575 30 20 BFED CC[C@@H](C)C(=O)N[C@@H](C#N)C1CCCCC1 40360483 ZHLPNSFUFLPUEY-PWSUYJOCSA-N 222.332 2.621 30 20 BFED CCN(Cc1ccccc1OC)C[C@@H](C)C#N 43457266 RULUYKUFQDEQJL-LBPRGKRZSA-N 232.327 2.677 30 20 BFED C=CCOc1ccccc1C(=O)NC1CCCC1 45053953 UECIARMYJKLOTN-UHFFFAOYSA-N 245.322 2.924 30 20 BFED Cc1ccc(CO/N=C(\N)c2ccccc2)cc1 47823497 JMHHGFQJSHSYDP-UHFFFAOYSA-N 240.306 2.832 30 20 BFED CCCN(CC#N)C(=O)Cc1ccc(C)c(C)c1 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30 20 BFED Cc1ccnc(NCc2ccccc2)c1C#N 89065188 OVRFDXBTILMIKT-UHFFFAOYSA-N 223.279 2.874 30 20 BFED CC[C@@H](C#N)NC(=O)C[C@@H](C)c1ccccc1F 102639861 PUWNIIMEFGQXPL-MNOVXSKESA-N 248.301 2.738 30 20 BFED C=CCCOC(=O)c1cc(F)ccc1OC 103648841 FZXMLUWUHKGVCK-UHFFFAOYSA-N 224.231 2.567 30 20 BFED C=CCCC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C 112834687 VCQKTWMDKXXMKR-IJLUTSLNSA-N 209.333 2.894 30 20 BFED CC[C@@H](C#N)OC(=O)c1cccc(C)c1F 122692549 FVWRRZKELYQVHT-VIFPVBQESA-N 221.231 2.593 30 20 BFED CCCN(CC#N)CCCOc1ccccc1C 123049967 HKNXJEOHXDDRPT-UHFFFAOYSA-N 246.354 3.000 30 20 BFED C=C[C@H](C)NCc1ccc(OCC)c(OC)c1 123191504 BCVMJCZCHKVFHO-NSHDSACASA-N 235.327 2.758 30 20 BFED C=CCC[C@H](C)N[C@@H](C(=O)OC)c1ccccc1 130252376 BZQVUZSXMFYEIF-GXTWGEPZSA-N 247.338 2.845 30 20 BFED O/N=C/C1CCN(c2ccc(F)cc2F)CC1 145429742 CDQHFBDDWMZGMM-OVCLIPMQSA-N 240.253 2.641 30 20 BFED in-vitro C=C[C@H](C)NC(=O)Cc1c(C)[nH]c2ccccc12 153927784 USZSHMDOBORVES-JTQLQIEISA-N 242.322 2.710 30 20 BFED N#CCCCN1CCC[C@@H](Nc2ccccc2)C1 155005163 DUOCZBYKDDULLB-OAHLLOKOSA-N 243.354 2.867 30 20 BFED CCC(CC)(CC)NC(=O)c1ccc(C#N)[nH]1 155577940 PCQSXQAIOCXIBE-UHFFFAOYSA-N 233.315 2.585 30 20 BFED Cc1nc(CCOc2cccc(C#N)c2)cs1 156542039 BMAKPPSVWAJVQL-UHFFFAOYSA-N 244.319 2.945 30 20 BFED C#CCCCCNC(=O)c1cccc(Cl)c1 156567125 AGADKGIUEWZXAE-UHFFFAOYSA-N 235.714 2.873 30 20 BFED C#CCCCOc1ccc([N+](=O)[O-])cc1F 161034887 QGRWULYFNDYABC-UHFFFAOYSA-N 223.203 2.526 30 20 BFED C[C@@H](NCc1ccc(C#N)cc1)c1cscn1 162367488 CNIVADBMGVSEIV-SNVBAGLBSA-N 243.335 2.866 30 20 BFED C[C@@H]1OCC[C@H]1SCCC(C)(C)C#N 163787871 METWNNOCONLGPX-VHSXEESVSA-N 213.346 2.837 30 20 BFED CC#CCCNC(=O)c1ccc2ccccc2c1 166236748 TZUVPVUNTXHLTM-UHFFFAOYSA-N 237.302 2.983 30 20 BFED C=CCCCC(=O)Nc1cc(F)ccc1O 174880820 VJKNHNNGJCFVJT-UHFFFAOYSA-N 223.247 2.826 30 20 BFED C#CC[C@H](OC(=O)c1cc(CCC)n[nH]1)C(C)C 177716903 POGLUAOKUHVJMV-ZDUSSCGKSA-N 248.326 2.567 30 20 BFED CCCCCCCCC(=O)N[C@@H]1CCC[C@H]1O 178635765 KNKARLVRCDNJBZ-CHWSQXEVSA-N 241.375 2.767 30 20 BFED COCc1cccc(OC[C@H](C#N)CCC#N)c1 179115945 GDUKFEVMBLTHPT-ZDUSSCGKSA-N 244.294 2.655 30 20 BFED C=CCCC[C@H](C)NC(=O)N1CCC(C#N)CC1 181423706 XXPHZKNHCBNXLO-LBPRGKRZSA-N 249.358 2.676 30 20 BFED CC[C@H](C)[C@H](C)NCCOc1cccc(C#N)c1 183064562 SEXPVDVVJYQPLL-STQMWFEESA-N 246.354 2.961 30 20 BFED CC#CCCCC(=O)NCc1ccsc1 185333364 HNIZMTGXKNKYDO-UHFFFAOYSA-N 221.325 2.558 30 20 BFED C#C[C@H](C)NC(=O)CCC(C)(C)c1ccccc1 186095314 LOVPVADUVABSRG-ZDUSSCGKSA-N 243.350 2.882 30 20 BFED CCc1ccccc1CN1CCC(C#N)CC1 188911133 CMKYQKDIBJAKTI-UHFFFAOYSA-N 228.339 2.985 30 20 BFED C#CCCCC(=O)Nc1cc(F)ccc1C(C)=O 190653641 PLMNVDWBEXWMSU-UHFFFAOYSA-N 247.269 2.770 30 20 BFED C#CCCCC(=O)N(C)[C@@H](CC)c1ccncc1 192337791 FHPFEBWDARYARD-AWEZNQCLSA-N 244.338 2.795 30 20 BFED C#CCCCC(=O)N1C[C@@H](C)CCC[C@@H]1C 192349222 WDIIWCWAFCFPPP-STQMWFEESA-N 221.344 2.827 30 20 BFED C=CCN1CCC(OC2CCCC2)CC1 195326288 MTPZGYDFSMINLH-UHFFFAOYSA-N 209.333 2.596 30 20 BFED C=CCCOCCN[C@@H](C)CC1CCC1 222442004 AACCUYJGRQDGGJ-LBPRGKRZSA-N 211.349 2.747 30 20 BFED C/C=C\C(=O)N(CCC)Cc1ccc(C#N)cc1 228139277 QZSFBUWFWJPMKF-HYXAFXHYSA-N 242.322 2.873 30 20 BFED C#CCCCNC(=O)C[C@H](C)CC(C)(C)C 231575579 KVTCEPSJZMHSLL-LBPRGKRZSA-N 223.360 2.978 30 20 BFED C#C[C@@H](CC)Nc1ncnc2sccc12 233907894 LDANUENFNKKZQP-QMMMGPOBSA-N 217.297 2.515 30 20 BFED C=CCC[C@H](O)CN1CCCC[C@H]1CC 246035610 QOHMLQCAKULTBA-OLZOCXBDSA-N 211.349 2.578 30 20 BFED CC#CCN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C 246683673 JYLUVFNBACZHDQ-FMKPAKJESA-N 243.350 2.860 30 20 BFED CC(=NNc1nc(C)cc(C)n1)c1ccccc1 254441484 PRXAIKISHRXOCR-UHFFFAOYSA-N 240.310 2.930 30 20 BFED Cc1nn(C)cc1/C=C\C(=O)c1ccsc1 255503807 XHYYIIIBCIJJLL-ARJAWSKDSA-N 232.308 2.686 30 20 BFED Cc1nc(CN2CCC(CCC#N)CC2)oc1C 259983041 KRTYYYWYWGPBPC-UHFFFAOYSA-N 247.342 2.807 30 20 BFED C=CCN(CCC(F)(F)F)CC(F)(F)F 265866790 ULKZQFJNGYYPBG-UHFFFAOYSA-N 235.171 2.989 30 20 BFED C#CCCCCNc1nnc(C(F)F)s1 269407915 YQOMRZDQXRKODZ-UHFFFAOYSA-N 231.271 2.691 30 20 BFED CCCCCCCCNC(=O)c1cnn(C)c1 269950501 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BFED C=CCCCCCN1CCC[C@H](C)[C@H]1C(=O)O 300276040 YZWWWMQQEUMGRR-STQMWFEESA-N 239.359 2.918 30 20 BFED Cc1cc(S[C@@H](C)[C@@H](C)O)ccc1C#N 300337613 FMXSRKUAFYDKBO-ZJUUUORDSA-N 221.325 2.728 30 20 BFED C=C[C@@H](Sc1ncccc1Cl)C(=O)OC 301031904 RRCRUYVBPJBERF-MRVPVSSYSA-N 243.715 2.555 30 20 BFED CSC[C@@H](C)Nc1ccc(Cl)c(C#N)n1 301321876 HOGVMGKJCFLJKV-SSDOTTSWSA-N 241.747 2.770 30 20 BFED C=CCOCCN[C@@H]1CCC(C)(C)C[C@@H]1C 303551929 WDXGEOIWVNGUJX-QWHCGFSZSA-N 225.376 2.993 30 20 BFED C=CCN(C)C(=S)Nc1ccsc1 306498172 DHCPRBPEOCKHQB-UHFFFAOYSA-N 212.343 2.563 30 20 BFED C=C(C)CN(C)c1nc(Cl)c(C#N)s1 307682636 RWULPDWDLMSZKA-UHFFFAOYSA-N 227.720 2.680 30 20 BFED CC(C)CC(N)=NOC/C(Cl)=C/Cl 308139417 HKCNBZQRNVCCHB-DAXSKMNVSA-N 225.119 2.640 30 20 BFED C#CCOc1ccccc1NCC1CCC1 309565212 QKBZZHHNCGKVKQ-UHFFFAOYSA-N 215.296 2.911 30 20 BFED CC(C)(C)C=NNc1ccccc1C(=O)O 309666639 IDDJKUGPLQZMLS-UHFFFAOYSA-N 220.272 2.829 30 20 BFED N#CCc1cccc(NCCC2CCOCC2)c1 313410384 NESGQNZAJMIUQR-UHFFFAOYSA-N 244.338 2.981 30 20 BFED CC#CC/N=C(/O)Nc1cnn([C@H](C)CC)c1C 331171973 ZRCRWAWHNBKTIT-SNVBAGLBSA-N 248.330 2.512 30 20 BFED CC[C@@H]1C[C@H]1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 331972295 NKUSKXBYUUIQRP-SFTQSGBHSA-N 234.343 2.621 30 20 BFED Cc1c(OCC2(C#N)CC2)cccc1[N+](=O)[O-] 332002069 RSMGKYIXHIGZSD-UHFFFAOYSA-N 232.239 2.586 30 20 BFED CCCC1(C(=O)N[C@@H](CC)CC#N)CCC1 332076522 XBKYKUMMDSTROZ-NSHDSACASA-N 222.332 2.765 30 20 BFED C=CCC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C 334299070 PRKZBJRYTZVOBN-PHIMTYICSA-N 221.344 2.703 30 20 BFED CC(=O)Nc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1 334755051 QUJHVHNCKXSXRP-FZMZJTMJSA-N 243.310 2.749 30 20 BFED C[C@@H]1CCCCCN1CC1(C#N)CCC1 335222536 HYRJKGOKWWBGSD-GFCCVEGCSA-N 206.333 2.945 30 20 BFED C[C@@H]1CCC[C@H](C(=O)N2CCC(C)(C#N)CC2)C1 335428510 WXRGDODGMQALRJ-OLZOCXBDSA-N 248.370 2.965 30 20 BFED C[C@@H](C#N)NC(=O)C1=C(c2ccccc2)CCC1 335577599 OMHPNRIKZDZYSC-NSHDSACASA-N 240.306 2.652 30 20 BFED CC[C@@](C)(C#N)C(=O)N1CC2(CCC2)[C@H]1C(C)C 335730634 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30 20 BFED C(=NN=c1cc[nH]cc1)c1ccc2occc2c1 794928337 WUCGEVNCDLHEDT-UHFFFAOYSA-N 237.262 2.696 30 20 BFED C=CCNN=C1C[C@H](OCC)C12CCCCC2 794994652 VQMOGVAZFRTNKJ-ZDUSSCGKSA-N 236.359 2.877 30 20 BFED C=CCNC(=O)[C@@H](C)SC/C(C)=C/Cl 797813784 MJPFSOPUZLXPES-BNICOGTQSA-N 233.764 2.553 30 20 BFED Cn1cnc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 798232279 QANDVCRIJKTTLB-HWKANZROSA-N 248.232 2.594 30 20 BFED CC#CCCOC(=O)c1cc[nH]c1C(C)C 803780149 WBPDQSRQVKEWLU-UHFFFAOYSA-N 219.284 2.708 30 20 BFED CC/C(C)=C(/C)C(=O)OCCCSCC#N 805527528 LVACURMXYYYHKZ-KHPPLWFESA-N 241.356 2.923 30 20 BFED C#CCCCOC(=O)c1ccc(C(C)C)cn1 810541473 CKCLGPVICOTZEV-UHFFFAOYSA-N 231.295 2.775 30 20 BFED CC(C)(C)n1cc(C=NOC/C=C\Cl)cn1 811670363 QMMGSGPKCDBXNL-NAJMZCTISA-N 241.722 2.741 30 20 BFED Clc1ncccc1C=NNc1ccccn1 814732131 YZZULKVXWXAERI-UHFFFAOYSA-N 232.674 2.576 30 20 BFED CO[C@@](C)(C=NN[C@@H]1CCCC1(C)C)C1CC1 814917581 NJFKKSORIJZWOP-OCCSQVGLSA-N 238.375 2.956 30 20 BFED C=CCC(F)(F)C(=O)N1CC[C@@](C)(CC)C1 815786873 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C=CCN(CC(=O)OCC)[C@H](C)c1ccccc1 152435718 BGRYTDMOQOIJAB-CYBMUJFWSA-N 247.338 2.799 30 20 BFED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CC#N 153537437 OWPXBJYRYVECEQ-JTQLQIEISA-N 242.278 2.866 30 20 BFED CN(C)c1cccc(OC[C@@H](C#N)CCC#N)c1 153992222 DCIFIVJBRXGIAW-GFCCVEGCSA-N 243.310 2.575 30 20 BFED C#CCNc1ccc(CC(F)(F)F)cc1 154939771 GIHRUBIYWMIXFY-UHFFFAOYSA-N 213.202 2.837 30 20 BFED CC#CCCN(C)[C@H](C)c1cccc(O)c1 156630689 XIMWOKMEGSKECX-GFCCVEGCSA-N 217.312 2.798 30 20 BFED Cc1cc(C#N)cc(N[C@@H](C)c2nccs2)n1 161071805 XCFZEZPZTFBKSL-VIFPVBQESA-N 244.323 2.891 30 20 BFED N#Cc1ccncc1NCC1CCSCC1 161306524 INBRZBRPYJCYOE-UHFFFAOYSA-N 233.340 2.508 30 20 BFED C=CCONC(=O)c1cccc(C(F)(F)F)c1 165327017 OYYWCBIKTPQLFA-UHFFFAOYSA-N 245.200 2.553 30 20 BFED C[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1 174443964 NTMWRFGQZWLCRY-SNVBAGLBSA-N 229.283 2.574 30 20 BFED C=CCN(CC=C)Cc1cn(C)nc1C(C)(C)C 183464365 UBPRDLVYYFGENS-UHFFFAOYSA-N 247.386 2.892 30 20 BFED N#CC1(COC(=O)c2ccccc2)CCC1 183871537 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C#Cc1cccc(N(C)C(=O)/C(=C/C)CC)c1 191057599 SGBHIZKDRIYMAF-AWNIVKPZSA-N 227.307 2.987 30 20 BFED C=C(C)CNC(=O)Nc1ncc(C(C)C)s1 192388034 LGKUSAWSONMXLW-UHFFFAOYSA-N 239.344 2.964 30 20 BFED C=C(C)COC(=O)c1ccccc1OCC 194166841 FKYHQOSNFHNVDG-UHFFFAOYSA-N 220.268 2.818 30 20 BFED C=CCSCCNC(=O)c1cc(C)ccc1C 194503235 PPFFEDJKSDDXNL-UHFFFAOYSA-N 249.379 2.952 30 20 BFED Cc1ccnc(N2CCC[C@H](C)[C@H]2C)c1C#N 227384691 UGUOVEGVJAHJRI-CMPLNLGQSA-N 229.327 2.887 30 20 BFED C[C@@H]1CC[C@@H](CNC(=O)c2cccc(C#N)c2)C1 230425166 SHKVAWNFYCRQFU-DGCLKSJQSA-N 242.322 2.724 30 20 BFED C#C[C@@H](CCC)NC(=O)c1cccn1C(C)C 233292860 LBQSESZHHHVFHO-LBPRGKRZSA-N 232.327 2.601 30 20 BFED C#C[C@H](CC)NC(=O)c1scc(C)c1Cl 234040956 HNOAITGTXMBJTR-MRVPVSSYSA-N 241.743 2.852 30 20 BFED C=C1CCN(Cc2cc(OCC)ccc2O)CC1 271177940 UTBSVJCOAXDZBO-UHFFFAOYSA-N 247.338 2.943 30 20 BFED C[C@H]1C[C@@H](CCNc2ccc(C#N)cn2)CCO1 273141133 KDKFWDPTEMQSEE-RYUDHWBXSA-N 245.326 2.570 30 20 BFED C=CCCCCNC(=O)N[C@H]1CC=CCC1 274481554 CFHBEERVFKJYKA-LBPRGKRZSA-N 222.332 2.751 30 20 BFED CN(CCCCC(C)(C)C#N)c1cnn(C)c1 277855926 XWTKDIPKLDHDEA-UHFFFAOYSA-N 234.347 2.576 30 20 BFED CC(C)/C(N)=N/OCc1cnc2ccccc2c1 281192971 BVCMALFLCIYRDS-UHFFFAOYSA-N 243.310 2.680 30 20 BFED CC#CC(=O)N[C@H](CCC)CCc1ccccc1 283299031 UEYIXUHYSQAFSI-OAHLLOKOSA-N 243.350 2.927 30 20 BFED Cc1nsc(N2CC[C@@H](C)[C@@H](C)C2)c1C#N 286065317 ARTBRDHUUCDZEH-BDAKNGLRSA-N 235.356 2.806 30 20 BFED C=CC(C)(C)C(=O)N1CCc2ccccc21 294222348 KRHGRQILONRLGZ-UHFFFAOYSA-N 215.296 2.788 30 20 BFED CC#CCN(C)C(=O)[C@H](C)c1cccc(Cl)c1 294454203 HJVRIHHZNRHHTK-LLVKDONJSA-N 249.741 2.925 30 20 BFED C[C@@H]1C[C@@H](Nc2ccc(CC#N)cc2)[C@@H](C)O1 295503377 UHSIMWMWFRIMNC-JTNHKYCSSA-N 230.311 2.730 30 20 BFED C#CCN(C(=O)Nc1cccc(C)c1F)C1CC1 296482734 AFIFSQSWEKRXMQ-UHFFFAOYSA-N 246.285 2.764 30 20 BFED CCN(CC#N)Cc1ccc(SC)cc1 299533101 LIEPXDFTHXQPGT-UHFFFAOYSA-N 220.341 2.754 30 20 BFED N#Cc1cncnc1Oc1ccc(Cl)cc1 304505748 XHZGFRGAUGBHOG-UHFFFAOYSA-N 231.642 2.794 30 20 BFED C#C[C@H](N[C@H]1CC[C@@H]1C1CC1)C(C)(C)C 308830179 FZGUBZIAYXFXPU-AGIUHOORSA-N 205.345 2.813 30 20 BFED C=CCOCCN[C@@H]1CCCCC1(C)C 308832348 USTCSHRBQRLVMV-GFCCVEGCSA-N 211.349 2.747 30 20 BFED Cc1nc(NC[C@H](C)C2CC2)ccc1C#N 309229875 SPLSYZYLXAPWOJ-VIFPVBQESA-N 215.300 2.720 30 20 BFED C[C@H](Nc1cccc(CC#N)c1)[C@@H]1CCOC1 313406591 FCYDOTQXDMEWDV-WCQYABFASA-N 230.311 2.590 30 20 BFED C=C(CC)CNc1ccc(C#N)c([N+](=O)[O-])c1 313481417 LQCJFLKIHZCRAY-UHFFFAOYSA-N 231.255 2.845 30 20 BFED C=C/C(O)=N/C[C@H](O)c1ccc(Cl)s1 328597193 FOMXAZBCYRFCJG-LURJTMIESA-N 231.704 2.577 30 20 BFED C[C@@H]1CC[C@@H](/C(O)=N/Cc2noc(C3CC3)n2)C1 329287501 PRKVZTIDOMDYAM-PSASIEDQSA-N 249.314 2.840 30 20 BFED CCCC1(/C(O)=N/[C@H]2CCc3c[nH]nc3C2)CC1 329894863 BOCKYXBRGLIZBJ-NSHDSACASA-N 247.342 2.804 30 20 BFED Cc1noc(C)c1N=C(O)N1CC[C@@H]2CCC[C@@H]21 330283856 WRCQWTPUWRQHMY-QWRGUYRKSA-N 249.314 2.711 30 20 BFED CCN(C[C@H](C)C#N)[C@H](C)c1ncc(C)o1 330646306 ZDHPTZKPZKQQLG-MWLCHTKSSA-N 221.304 2.526 30 20 BFED CC(C)CC[C@H](C)/N=C(/O)c1csc(O)n1 330976321 MDEPZRPKKHPBAV-QMMMGPOBSA-N 242.344 2.978 30 20 BFED Cc1cccc([C@H](C)N/C(O)=N/CCC#N)c1C 331120231 ANQNTSZDYDPQER-LBPRGKRZSA-N 245.326 2.782 30 20 BFED COC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(C)o1 331168280 HKOUMDPAERKKKR-AGIUHOORSA-N 248.326 2.557 30 20 BFED Cc1ccsc1C(=O)N(C)CC(C)(C)C#N 334209488 XYGQSQVJOKJNDN-UHFFFAOYSA-N 236.340 2.678 30 20 BFED C[C@@H]1CC(C)(C)CN1C(=O)c1cscc1C#N 335263660 FHXXGNSSVUHDOR-SECBINFHSA-N 248.351 2.880 30 20 BFED CC[C@H](F)Cn1cc(C#N)c(=O)c2ccccc21 335352358 MVHNWCVYAPFYMP-NSHDSACASA-N 244.269 2.621 30 20 BFED C[C@@H](C#N)N(C)C(=O)CC1(C)CCCCC1 335376601 SNFTULPMDUTLQJ-NSHDSACASA-N 222.332 2.717 30 20 BFED N#Cc1ccnc(N2CCC[C@@H](F)C2)c1Cl 335669283 GUCKEFVYJGVBCZ-SECBINFHSA-N 239.681 2.545 30 20 BFED C=C[C@H]1CCCCN1C(=O)[C@H]1CCCCS1 335764122 FHGDDMOKLKACDP-NWDGAFQWSA-N 239.384 2.839 30 20 BFED C=C[C@@H]1CCCCN1C(=O)[C@H](C)C(C)(F)F 336153896 CQLFQTCTZLCBJE-VHSXEESVSA-N 231.286 2.845 30 20 BFED N#Cc1ccc(OCc2ccc(F)cn2)cc1F 336405248 JLZWQKBFTVLLBR-UHFFFAOYSA-N 246.216 2.810 30 20 BFED C=C[C@H](CO)NCc1cc2ccccc2s1 336695484 YXFYSLMAIRSQNJ-LLVKDONJSA-N 233.336 2.538 30 20 BFED C=CC[C@H](CC)Nc1cnnc(O)c1Cl 336757792 JIXUQRCZTFSIQM-ZETCQYMHSA-N 227.695 2.602 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CC[C@@H](C)C1 336781227 UCQKISIMHNOKMD-SYQHCUMBSA-N 223.360 2.746 30 20 BFED C=C(C)[C@H](CC(=O)N[C@H]1CCC[C@H]1C)OCC 337164377 WSQQZPSVUCMELK-AGIUHOORSA-N 239.359 2.663 30 20 BFED C=CC1CCN(c2nnc(C3CC3)n2CC)CC1 338530301 FRQCQKZBCQSZSM-UHFFFAOYSA-N 246.358 2.578 30 20 BFED C=CCOCCN1CC(C)(C)CC(C)(C)C1 339094625 AQADOAMCNVRBAL-UHFFFAOYSA-N 225.376 2.947 30 20 BFED CCCN(C)Cc1ccc(CC#N)cc1 342676170 YDYJWFMOXSXTLW-UHFFFAOYSA-N 202.301 2.594 30 20 BFED C=CCCC[C@@H](C)NC(=O)N[C@H](C)C=C 342968225 YEZYCIFDMGYSQC-GHMZBOCLSA-N 210.321 2.605 30 20 BFED C=CCCCSCC(=O)N(C)C(C)C 344555306 IVFRFSCJMNBEPA-UHFFFAOYSA-N 215.362 2.553 30 20 BFED C=CCOCCCN(C)[C@@H](C)c1ccco1 347974709 VBHBPGOVIKYFSH-LBPRGKRZSA-N 223.316 2.865 30 20 BFED C=CCOCCCN(CC)CCC1CC1 348055074 ORWLAGRFYBKRCE-UHFFFAOYSA-N 211.349 2.701 30 20 BFED C=CCn1c(C(C)C)nnc1N1CC=C(C)CC1 350623652 RUGHHEXJFYFNOO-UHFFFAOYSA-N 246.358 2.744 30 20 BFED C=C(CC)CN1CCC(c2cn[nH]c2)CC1 358508225 LUMXGBOYSOYJRQ-UHFFFAOYSA-N 219.332 2.555 30 20 BFED CC(C)C[C@H]1CCCN(C(=O)CCCC#N)C1 360311399 PJPWMVKVYJQLGD-CYBMUJFWSA-N 236.359 2.965 30 20 BFED C=C(C)[C@@H](CC(=O)N1CC(C)(CC)C1)OCC 360902553 DBGHQSUJQXFZKJ-GFCCVEGCSA-N 239.359 2.616 30 20 BFED N#CCCCCN1CCOCC2(CCCC2)C1 364330674 VUZXDLWLAWIZLP-UHFFFAOYSA-N 236.359 2.573 30 20 BFED C=C(C)CCNCc1ccc([N+](=O)[O-])cc1F 387495705 XAFVTBPYKOUQKL-UHFFFAOYSA-N 238.262 2.790 30 20 BFED CC(C)(C#N)CCCCN[C@H](CO)C(C)(C)C 393958530 LKVXZQBOQJPMAG-GFCCVEGCSA-N 240.391 2.703 30 20 BFED C=CC(C)(C)CNC(=O)c1ccc(F)cc1 395424353 DFMWICKRYQTVSZ-UHFFFAOYSA-N 221.275 2.768 30 20 BFED CCC[C@H](NC[C@@H](C)C#N)[C@@H]1CC1(C)C 397659320 CGFNZWQNSYWSJY-SRVKXCTJSA-N 208.349 2.950 30 20 BFED C=C[C@@](C)(CC)C(=O)Nc1ncc(OC)s1 410829564 AJEXSLRHLHQRAY-NSHDSACASA-N 240.328 2.693 30 20 BFED N#CCCSCCOc1ccc(C#N)cc1 413017522 YVZACXBANZBYIN-UHFFFAOYSA-N 232.308 2.584 30 20 BFED CCC[C@H](C)N(C)C(=O)NCC1(C#N)CCC1 419640624 IMOLSBPZWUPNGF-NSHDSACASA-N 237.347 2.510 30 20 BFED CCC[C@@H](C)[C@H]1CCCN1c1cncc(C#N)n1 420618942 XRMCDSQCBNGGJI-DGCLKSJQSA-N 244.342 2.753 30 20 BFED CCC[C@H](C#N)N(C)C(=O)[C@H]1CCC[C@@H](F)C1 425580275 IYAGPDVIWPMAIP-QJPTWQEYSA-N 240.322 2.665 30 20 BFED CC(C)C[C@H](C)n1nccc1NC(=O)[C@H](C)C#N 426883748 PWJOUZDKLKIQCN-MNOVXSKESA-N 248.330 2.588 30 20 BFED C[C@@H]1CCC[C@H]1CC(=O)NCC1(CC#N)CC1 431168773 SFCAHQYFUUPWNE-NEPJUHHUSA-N 234.343 2.623 30 20 BFED CN(CC1(C#N)CC1)CC1(c2ccccc2)CC1 444674834 LPLHRXUQCIUGTJ-UHFFFAOYSA-N 240.350 2.954 30 20 BFED C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cncc(F)c1 446755922 ARFUZHLYKUXGIU-COPLHBTASA-N 247.317 2.954 30 20 BFED C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H](SC)C1 449886248 JEERSTNRLZKWKZ-MNOVXSKESA-N 241.400 2.989 30 20 BFED C=C[C@H]1CCCCN1Cc1nnc(C2CC2)s1 450883641 QLMFOQTZYUAOMG-NSHDSACASA-N 249.383 2.956 30 20 BFED C[C@@H]1C[C@@]1(C#N)C(=O)N(C)[C@H]1CCC(C)(C)C1 451568256 PNFNUCOLQRNGOI-SUNKGSAMSA-N 234.343 2.573 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(C#N)cc1 451610773 ZPBRIIDGPYBWNW-DFBGVHRSSA-N 242.322 2.552 30 20 BFED C=CC(C)(C)CNC(=O)[C@@H](C)Oc1ccccc1 452779665 UYGJXNPPNOIZKV-GFCCVEGCSA-N 247.338 2.782 30 20 BFED C=CC(C)(C)CNC(=O)NCCc1ccccc1 454139642 VPHXUIDTGGQGGT-UHFFFAOYSA-N 246.354 2.741 30 20 BFED C=C[C@@H]1OCCC[C@H]1NC(=O)CC[C@H](C)CC 456267688 RSBUSCKMHFBNMQ-UPJWGTAASA-N 239.359 2.663 30 20 BFED CC[C@@H]1CCC[C@@H]1C(=O)NCC(C)(C)CC#N 458039763 JIXPDSRZSBQGQF-NEPJUHHUSA-N 236.359 2.869 30 20 BFED C=CC[C@@H](C)[C@@H](C)N[C@H]1C[C@@H](OCC)C1 459640139 WUAIBPXXUAETCK-LPWJVIDDSA-N 211.349 2.744 30 20 BFED C#CCN(CC)C(=O)[C@@H]1CCCC[C@H]1CC 490740602 PSQQHSGHYPDODK-CHWSQXEVSA-N 221.344 2.685 30 20 BFED C#C[C@@H](C)N(C)c1nc(C(F)(F)F)cs1 491618094 CMXHNAQHPMKFJY-ZCFIWIBFSA-N 234.246 2.620 30 20 BFED CC1(C)C[C@]1(C#N)NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 521521416 VEMZZBQYHKLVKY-UUIJZJDISA-N 246.354 2.621 30 20 BFED C=C[C@](C)(O)CC(=O)N[C@H](CCC)CCCC 568454785 FFYXULQISGORJL-OCCSQVGLSA-N 241.375 2.789 30 20 BFED C=C[C@@H]1CCCCN1C(=O)Cc1ccc(C)o1 572432976 QPNFBKXSDMGMLK-GFCCVEGCSA-N 233.311 2.698 30 20 BFED N#Cc1cccc(NC(=O)CCC2CCCC2)n1 583442441 DHVHZVZDEPYOIS-UHFFFAOYSA-N 243.310 2.862 30 20 BFED C[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@](C)(C#N)C1 591777860 KIYJPPAHVYUHGD-IPYPFGDCSA-N 248.370 2.965 30 20 BFED C=CCSCCN[C@@H](COC)CC(C)(C)C 593596382 QXOYMDQEPSABTA-GFCCVEGCSA-N 245.432 2.946 30 20 BFED CCC1(NC(=O)Nc2scc(C)c2C#N)CC1 594102972 NCVHTQLGFGNKLC-UHFFFAOYSA-N 249.339 2.992 30 20 BFED C[C@H]1CCCCN1C(=O)N1CCC(CC#N)CC1 594464401 ZBMJAALGPFRVJO-LBPRGKRZSA-N 249.358 2.606 30 20 BFED C[C@H](O)[C@H](C)SCCc1ccc(C#N)cc1 594890071 OYZUIAIGNDYYOY-QWRGUYRKSA-N 235.352 2.603 30 20 BFED CC1(C)C[C@]1(C)NCc1ccc(C#N)cc1F 594993941 APDGYTZGSBZJTQ-AWEZNQCLSA-N 232.302 2.976 30 20 BFED 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C=CCN[C@H](C)c1nc(-c2cccc(F)c2)no1 185085891 IOUYEAAAYPXKFI-SECBINFHSA-N 247.273 2.712 30 20 BFED N#Cc1ccc(NC(=O)C[C@@H]2C=CCCC2)nc1 187576719 QBRFLCNDDZFECL-LLVKDONJSA-N 241.294 2.638 30 20 BFED C#CCCCC(=O)NC[C@H]1CCC[C@H](C)C1 192088059 UKQAEFKZWFRFIW-STQMWFEESA-N 221.344 2.732 30 20 BFED C[C@@H]1CCN(CCCCC#N)CCS1 192192295 CFYQUVCXEIOWIY-LLVKDONJSA-N 212.362 2.508 30 20 BFED CC/C=C(\C)C(=O)Oc1ccc(C#N)cc1OC 194391206 OCHQBRSIKMGFBP-BJMVGYQFSA-N 245.278 2.829 30 20 BFED C=CCSCCNC(=O)CC1CCCCC1 194501153 GMZNOJUJMRRUDF-UHFFFAOYSA-N 241.400 2.992 30 20 BFED C=C(C)CN(Cc1ccccc1)C(C)=O 211302117 XPYDBEBNPUNBFT-UHFFFAOYSA-N 203.285 2.611 30 20 BFED C[C@H]1CCCN(c2cc(C#N)cc(Cl)n2)C1 215366167 UWRCGQMUTPBHMW-VIFPVBQESA-N 235.718 2.843 30 20 BFED CC1(C#N)CCN(C[C@H]2CCC(C)(C)O2)CC1 229591205 YFLRNFPYDRSDOL-GFCCVEGCSA-N 236.359 2.570 30 20 BFED Cc1cc(C#N)nc(NC[C@@H]2CCCC[C@H]2C)n1 231899517 FCQMCFKTVLHZRM-PWSUYJOCSA-N 244.342 2.895 30 20 BFED CCCCCCCC(=O)N[C@@H]1CCCNCC1 232237292 GHXVDAKSGFQNME-CYBMUJFWSA-N 240.391 2.605 30 20 BFED COc1ccc(CN2CC[C@@H](C)[C@@H]2C)cc1C#N 246503647 HULFJOIOPUPSLQ-NEPJUHHUSA-N 244.338 2.797 30 20 BFED C[C@@H](c1ccccn1)N1CCC[C@@H](CC#N)C1 259579183 BFVVZOSFZXUJII-STQMWFEESA-N 229.327 2.768 30 20 BFED CC(C)OCCCSc1ccc(C#N)cn1 265875243 AKZXPWSDPTXABN-UHFFFAOYSA-N 236.340 2.860 30 20 BFED CC[C@@H]1CN(c2ccc(F)cc2C#N)C[C@H](C)O1 266437464 VMRFVUDBGCTRGZ-GXFFZTMASA-N 248.301 2.701 30 20 BFED C=C(Br)CS[C@@H](C)C(C)=O 267168438 KTVIJLUPDAUXQZ-ZETCQYMHSA-N 223.135 2.606 30 20 BFED C#CCCN(CC)CCc1ccccc1 268676633 CUWNLINTHLHGRW-UHFFFAOYSA-N 201.313 2.574 30 20 BFED C=CCCN(Cc1ccccc1)C[C@@H](O)CC 269630692 HOYOYFNOXFKPNY-HNNXBMFYSA-N 233.355 2.836 30 20 BFED CC(=O)c1ccc(C#N)c(N[C@@H]2CCSC2)c1 273264277 YOEVZKSDPCXLNC-GFCCVEGCSA-N 246.335 2.678 30 20 BFED C=CCCCCNC(=O)N[C@H]1CCCSC1 274546272 HLUHLABOAIDOEA-NSHDSACASA-N 242.388 2.538 30 20 BFED C=C(C)CCN1CCC(c2cc(C)n[nH]2)CC1 274811398 HUIFKLXDNSEZPP-UHFFFAOYSA-N 233.359 2.864 30 20 BFED CO[C@@H](c1ccccc1)[C@H](C)NCCCC#N 278390342 AFNXDEMZUSNSFQ-GXTWGEPZSA-N 232.327 2.656 30 20 BFED C=C(C)CN1CCOCc2ccccc21 280647515 ZWETUVHRYBQLHX-UHFFFAOYSA-N 203.285 2.599 30 20 BFED C#CC(C)(C)NC(=O)c1cc(C(C)C)oc1C 285560993 NCSVNIMZAZPWSA-UHFFFAOYSA-N 233.311 2.853 30 20 BFED C[C@@H](CC#N)Nc1cc(Cl)ccc1[N+](=O)[O-] 288099953 WURGGGJIYJPGGI-ZETCQYMHSA-N 239.662 2.962 30 20 BFED N#Cc1cccc(N2CCC[C@H](C3CC3)C2)n1 288307870 SYDGZKAUKLJOIN-LBPRGKRZSA-N 227.311 2.580 30 20 BFED C#C[C@H](NCc1ccc(COC)cc1)C(C)C 289590415 UOKALAYDYPGCLV-HNNXBMFYSA-N 231.339 2.580 30 20 BFED C=CCC[C@H](C)NCc1noc2c1CCCC2 290097986 HLJPXGPEXMXKOF-NSHDSACASA-N 234.343 2.998 30 20 BFED C=CCC[C@H](C)NCc1oc(CC)nc1C 291853620 GZEOKWWCJLDIGI-JTQLQIEISA-N 222.332 2.990 30 20 BFED C=CCN(C)Cc1cccc(O)c1Cl 294633419 JULLNGGGFUIMQD-UHFFFAOYSA-N 211.692 2.663 30 20 BFED C=CCN(CCC#N)C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 295280414 ILGXXYQRPVGBGI-BFHYXJOUSA-N 248.370 2.987 30 20 BFED C=CC(C)(C)c1nc(-c2ccccn2)no1 295962044 PRNYVRDLMZXXOJ-UHFFFAOYSA-N 215.256 2.595 30 20 BFED C=CCCOCCN[C@H]1CCc2cccc(O)c21 297011868 TZHMWYOSZZHLGV-ZDUSSCGKSA-N 247.338 2.562 30 20 BFED CCCCN(C)c1ccc(Cl)c(C#N)n1 299677512 UQUUOBQJKOUHHH-UHFFFAOYSA-N 223.707 2.843 30 20 BFED CCS[C@H]1CCC[C@@H]1NCCCC#N 300394354 XRQQRKZBARBPDS-QWRGUYRKSA-N 212.362 2.554 30 20 BFED COC(C)(C)[C@@H](C)Nc1ccc(OCC#N)cc1 305941689 FZBOUJKSSARUCI-LLVKDONJSA-N 248.326 2.814 30 20 BFED CNc1cc(Br)c(C#N)cc1F 306419439 XKIRIIDOIBQNFT-UHFFFAOYSA-N 229.052 2.502 30 20 BFED C=C[C@@H]1CCCCN1CC(=C)Br 306508746 ITDWVUCTVJFRPG-SNVBAGLBSA-N 230.149 2.936 30 20 BFED C=CCNN=C(C)c1csc(Cl)c1 308165232 XHVCVLDVSKDOTD-UHFFFAOYSA-N 214.721 2.901 30 20 BFED C=C(Br)COC(=O)[C@@H]1C[C@H]1CCC 308243971 UBWHMAMDUGUSFE-RKDXNWHRSA-N 247.132 2.874 30 20 BFED N#Cc1csc(CN[C@H]2CC[C@H](F)C2)c1 308858878 AGFSGUFUINVWIF-UWVGGRQHSA-N 224.304 2.600 30 20 BFED CC[C@@H](C)CNc1ccc(C#N)c(C)n1 309042033 KNWFVIXYZGJXOT-SECBINFHSA-N 203.289 2.720 30 20 BFED N#CCCCNCc1cc2ccccc2[nH]1 309503024 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BFED CC1(C)CCCN(CC[C@@H]2CCCO2)[C@H]1C#N 334782437 XPKRCQPBAIOYEU-STQMWFEESA-N 236.359 2.570 30 20 BFED C=C(C)CCNC(=O)N1[C@@H](C)CC[C@H]1C 334786598 ILFWFLUMPCYRSO-PHIMTYICSA-N 210.321 2.535 30 20 BFED C=CCC(C)(C)C(=O)N1CCC(C)(C)C1 335934580 ZABGZZSPSPSQEL-UHFFFAOYSA-N 209.333 2.847 30 20 BFED C=CCCC(=O)N1C[C@@H](C)CC(C)(C)C1 335992292 LMMTVHJYRLOKCC-NSHDSACASA-N 209.333 2.847 30 20 BFED Cc1cccc2cc(C(=O)NCCC#N)sc12 335997833 PQLIFWOQCCRSFI-UHFFFAOYSA-N 244.319 2.853 30 20 BFED Cc1oc(C#N)cc1C(=O)N(C(C)C)C1CCC1 336155626 XGIRAEGXPYTVMK-UHFFFAOYSA-N 246.310 2.863 30 20 BFED C[C@H]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)C1 336426365 WSEALKFBBHBSEG-WCQYABFASA-N 249.358 2.510 30 20 BFED C[C@H]1CSC[C@@H]1NCCCC(C)(C)C#N 336771849 XPRYIJFREFIMSJ-QWRGUYRKSA-N 226.389 2.657 30 20 BFED C=CC[C@H](CO)CN[C@@H]1CCCC(C)(C)C1 336779344 OAIIRTOEAVWUFQ-QWHCGFSZSA-N 225.376 2.729 30 20 BFED C=CC(C)(C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 351143299 GCTOMASOLVJXHV-UHFFFAOYSA-N 249.226 2.701 30 20 BFED C=C(C)CCN[C@@](C)(CC(=O)OCC)C(C)C 351818247 YNWFPTZZGXVTRJ-AWEZNQCLSA-N 241.375 2.910 30 20 BFED C=C(C)CCN1CCC(Cc2nccn2C)CC1 352001427 BJRYPDZEMNPENR-UHFFFAOYSA-N 247.386 2.641 30 20 BFED C=CCC(C)(C)CNC(=O)[C@@H](C)[C@H](C)COC 352511905 UJBHPEJFHIJLFE-NEPJUHHUSA-N 241.375 2.624 30 20 BFED C=CCCCN(C)C(=O)[C@H](CCC)NC(C)C 353959065 IJQSUIZEROTBNP-ZDUSSCGKSA-N 240.391 2.578 30 20 BFED CC#CCCNC(=O)c1ccc2c(c1)CCC=C2 354728235 WVNNELRZHNSOGZ-UHFFFAOYSA-N 239.318 2.789 30 20 BFED CCN(CCC1CC1)C(=O)C1(C#N)CCCC1 354870237 RNJKSDOZQDENMI-UHFFFAOYSA-N 234.343 2.719 30 20 BFED N#CCSCCCN1CC[C@H]2CCC[C@@H]21 355176074 RTKPHLXNPJOANO-NEPJUHHUSA-N 224.373 2.508 30 20 BFED C=CCNC(=O)NCC[C@H]1CCCC[C@@H]1C 358408395 JTFLHRGLMFBGBR-NWDGAFQWSA-N 224.348 2.688 30 20 BFED C=CCOCCCS[C@@H](C)c1nnc(C)o1 359142655 ZMMVHGVKHOGNNH-VIFPVBQESA-N 242.344 2.765 30 20 BFED Cc1cc(C#N)cc(C)c1OCC1(C)COC1 360801584 KNRUXWXOHIDKGR-UHFFFAOYSA-N 231.295 2.590 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccnn1C1CCCC1 360980958 DYHJRHLCFZOJAX-LLVKDONJSA-N 247.342 2.693 30 20 BFED C=C1CCN(CC2(OC)CCCC2)CC1 361572150 QKRAHYLKKLLPJO-UHFFFAOYSA-N 209.333 2.598 30 20 BFED C=CCCC1(C(=O)Nc2cccnc2OC)CC1 361596095 ZPPRCULALYGCSR-UHFFFAOYSA-N 246.310 2.775 30 20 BFED C=C[C@H](C)NC(=O)c1ccc(C(F)F)cc1 362586994 JRVKJYDJJZFEMQ-QMMMGPOBSA-N 225.238 2.929 30 20 BFED C=C[C@H](C)NC(=O)[C@@H](C)SCc1ccccc1 362590760 DWOQNUVQHCWGOA-NWDGAFQWSA-N 249.379 2.999 30 20 BFED CCCCCCCCC(=O)N1CCCOCC1 363377941 MZDHJGFCJNHOTM-UHFFFAOYSA-N 241.375 2.986 30 20 BFED C=C(Cl)CNC(=O)N1CCC2(CCC2)CC1 376351282 SHRCKCIDBUSXGG-UHFFFAOYSA-N 242.750 2.715 30 20 BFED C=C(C)CNc1ccc(F)cc1OCC#N 381202896 FORBYYBGMHUUDJ-UHFFFAOYSA-N 220.247 2.716 30 20 BFED C#CCCCN[C@H]1CCc2ccc(Cl)nc21 381497849 NIHBVQJKOSENJY-NSHDSACASA-N 234.730 2.725 30 20 BFED CC1(C)CC[C@@H]1NCc1ccc(F)c(C#N)c1 383387743 IXDCCCLDXQGQQZ-ZDUSSCGKSA-N 232.302 2.976 30 20 BFED C#C[C@@](C)(CC)NCCCOc1ccccc1 384131099 CGJMZFFMZQURTA-HNNXBMFYSA-N 231.339 2.847 30 20 BFED C=C[C@@H](COC)N[C@@H](CC)c1cccs1 389899186 BVLWAULFNJGFNO-QWRGUYRKSA-N 225.357 2.990 30 20 BFED C=CCC[C@H](CC)NC[C@H]1CCOC[C@H]1C 390455365 CMKUKOKPCVWXFE-MCIONIFRSA-N 225.376 2.993 30 20 BFED C[C@H]1C[C@@H](Nc2ccc(C#N)cc2Cl)CO1 401799333 RUHOJYJSGXGUJB-WCBMZHEXSA-N 236.702 2.801 30 20 BFED C=CC(C)(C)c1nc([C@@H](N)CC(C)C)no1 414621833 MGNWALFCZXPHNV-VIFPVBQESA-N 223.320 2.579 30 20 BFED C=CCCCC(=O)N[C@@H]1COCc2ccccc21 416064148 ZFDURCIBIYVVEX-CQSZACIVSA-N 245.322 2.730 30 20 BFED C=CC[C@@H](C)NC(=O)NC[C@@H]1C[C@H]1C1CCC1 425450626 KVLHYRRZUFBKST-WXHSDQCUSA-N 236.359 2.686 30 20 BFED C=CCN(CCN1CCc2ccccc21)C1CC1 428291521 AVOIGBHHWIBUMV-UHFFFAOYSA-N 242.366 2.700 30 20 BFED CC[C@@H](C)CN(C)C(=O)[C@]1(C#N)CC12CCCC2 448950974 OUERPZNQPTZWMS-IUODEOHRSA-N 248.370 2.965 30 20 BFED C=CC[C@@H](CO)CNCc1cccc2ccoc12 449200764 FIRZMYJXVZOOQU-GFCCVEGCSA-N 245.322 2.707 30 20 BFED CCOc1ncc(C)cc1N[C@H]1CC[C@H](C#N)C1 449370418 YLKLXDHNQNWIPU-RYUDHWBXSA-N 245.326 2.893 30 20 BFED C[C@@H]1C[C@H](NCC(C)(C)CCC#N)c2nccn21 449569409 GUVQSPMEITXODU-NEPJUHHUSA-N 246.358 2.808 30 20 BFED C=CC(C)(C)CNC(=O)c1ccn(C)c1CC 452779768 CLMXWXGSYKZWFJ-UHFFFAOYSA-N 234.343 2.530 30 20 BFED C=C[C@H](C)NC(=O)N1CC(C)(C)[C@@H]2CCC[C@H]21 454663922 IJTWXNBJNRXVBT-QJPTWQEYSA-N 236.359 2.781 30 20 BFED CC[C@@H](C)[C@@H](C)NC(=O)N(C)CC(C)(C)C#N 457973700 QDKRRVRJOZRZRC-GHMZBOCLSA-N 239.363 2.612 30 20 BFED CCC[C@@H]1C[C@H]1C(=O)N[C@@](C)(C#N)C(C)(C)C 464304576 RHWPRRAKHRUNTL-GYSYKLTISA-N 236.359 2.867 30 20 BFED C=C(C)CN(C)C(=O)N[C@H]1CCC[C@H]1CC 487845584 WZVUQNCKRXFWJM-NEPJUHHUSA-N 224.348 2.783 30 20 BFED C#CCN(CC)C(=O)[C@@H](C)CC1CCCC1 490668940 CMPCRXCUGXDMFX-LBPRGKRZSA-N 221.344 2.685 30 20 BFED C#C[C@@H](C)N(C)C(=O)NCC(C)(C)CC(C)C 491228520 AEAANSZFEYCYGP-GFCCVEGCSA-N 238.375 2.722 30 20 BFED C#C[C@H](C)N(C)C(=O)c1cccc(Cl)c1F 491545525 QRIOXOXKCYNQAF-QMMMGPOBSA-N 239.677 2.573 30 20 BFED C#CCN(C(=O)[C@H]1CCCC[C@@H]1CC)C1CC1 491631634 OMKMOWGYKRJRJA-JSGCOSHPSA-N 233.355 2.827 30 20 BFED C#C[C@@H](NC(=O)N1[C@H]2CCC[C@H]1CC2)C(C)(C)C 491661159 NAVGDGLCZKVECH-RWMBFGLXSA-N 248.370 2.761 30 20 BFED C#CCN(C)C(=O)NCCCC1CCCCC1 491667026 WUACDEJJBDFCLW-UHFFFAOYSA-N 236.359 2.622 30 20 BFED C#CCN(C(=S)Nc1cccc(C)c1)C1CC1 491697159 ZOLPAUQOTIOXHV-UHFFFAOYSA-N 244.363 2.789 30 20 BFED C[C@H](F)CCOc1ccc(C#N)cc1F 505506854 OOUINGJFJIBTIO-QMMMGPOBSA-N 211.211 2.824 30 20 BFED CCC(CC)[C@@H](C)C(=O)N[C@](C)(C#N)CC 536381840 JTOKDQDEHGOWMB-MFKMUULPSA-N 224.348 2.867 30 20 BFED Cc1cccc([C@H](C)C(=O)NC(C)(C)C#N)c1 542830614 IOTZTIPAJSVMGB-NSHDSACASA-N 230.311 2.517 30 20 BFED C=C(CC)CN(CC1CC1)[C@](C)(CC)C(=O)O 565256464 ZENCSVQPKGHGKC-CQSZACIVSA-N 239.359 2.918 30 20 BFED C=CCCCCN[C@H](CO)c1cccc(F)c1 565756739 YUCROPKJYGSZPG-CQSZACIVSA-N 237.318 2.805 30 20 BFED C=CCCC[C@H](C)NC[C@@H](O)Cc1ccccc1 567685954 RNXAOAYXUDGQTQ-HOCLYGCPSA-N 247.382 2.924 30 20 BFED COc1cc(C#N)ccc1CN[C@H]1CCC1(C)C 577861768 LYHGCPRMIZUCQO-AWEZNQCLSA-N 244.338 2.845 30 20 BFED Cc1csc(NC(=O)N[C@@H](C)C2CC2)c1C#N 578639084 SGGKBFAJFJQOQY-QMMMGPOBSA-N 249.339 2.848 30 20 BFED C=CCn1c(CC)nnc1N(C)C1CCCCC1 581279205 RLNNZQUDCUWORZ-UHFFFAOYSA-N 248.374 2.795 30 20 BFED Oc1ccccc1/C=N\C1Cc2ccccc2C1 588458271 QCNFUZISQDTGDI-BOPFTXTBSA-N 237.302 2.979 30 20 BFED CC[C@@H](C#N)C(=O)Nc1cnn([C@H](C)CC)c1C 593647878 OYHAYBWMNLRGLS-KOLCDFICSA-N 248.330 2.651 30 20 BFED CCCC[C@H](C)C(=O)N(C)[C@@H](C#N)CC 594093091 XYJUXBGQPHNTMS-WDEREUQCSA-N 210.321 2.573 30 20 BFED CCCCN(C)CCc1ccc(C#N)cc1 595289327 SAFVSXBJXYSEBW-UHFFFAOYSA-N 216.328 2.833 30 20 BFED CC(C)(C)OCCCN1CCC[C@@H](CC#N)C1 595615149 PJJOHZRUCHDYCX-ZDUSSCGKSA-N 238.375 2.817 30 20 BFED C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2C[C@@H]2C1 595809967 VDPDTBPBLYNDMS-KCPJHIHWSA-N 226.323 2.961 30 20 BFED Cc1cc(OCC2(CC#N)CC2)ccc1C#N 596271469 DFTLAUGCFWECHE-UHFFFAOYSA-N 226.279 2.939 30 20 BFED C[C@H](CCC#N)CNCC1(O)CCCCCC1 602558216 TXHXYWDQPJHVNN-CYBMUJFWSA-N 238.375 2.601 30 20 BFED CN(C[C@@H]1CC1(C)C)CC1(CC#N)CC1 602901776 IATROSIRFDIPAV-NSHDSACASA-N 206.333 2.658 30 20 BFED C=C[C@H](C)NC(=O)C1CCC2(CC1)CC2 612265236 WENQVXYYYIFWTK-JTQLQIEISA-N 207.317 2.648 30 20 BFED C=CCCNC(=O)[C@@H]1SCCc2ccccc21 617616219 NOLOPBLZAQXVSN-CYBMUJFWSA-N 247.363 2.709 30 20 BFED C=CC[C@@H]1CCCN(C(=O)c2cncc(F)c2)C1 617783203 VWNYHLCLXYLTDB-LLVKDONJSA-N 248.301 2.649 30 20 BFED C=CCC1(NC(=O)[C@H]2CC=CCC2)CCOCC1 618245625 BXXOWIDAWSWAEO-ZDUSSCGKSA-N 249.354 2.584 30 20 BFED C[C@H](CCC#N)CN1CCOC2(CCCC2)C1 618887656 DAXJXDCVRSIPSX-CYBMUJFWSA-N 236.359 2.571 30 20 BFED C=C[C@H](N[C@@H]1CCC(C)(C)C[C@H]1C)C(=O)OC 619721613 ZFURMROXFORSIV-GRYCIOLGSA-N 239.359 2.518 30 20 BFED C=CCC1(NCc2ncccn2)CCCCC1 625934593 SWICXVAOHQSIIC-UHFFFAOYSA-N 231.343 2.845 30 20 BFED C=CC[C@@H](C)[C@H](C)N[C@H]1CC[C@H](CN)CC1 635008337 SRMJPWLZTGHUQK-XJFOESAGSA-N 224.392 2.694 30 20 BFED C=C[C@@](C)(O)CC(=O)Nc1cscc1Cl 636437968 JWIZVSHHYZDVCW-SNVBAGLBSA-N 245.731 2.667 30 20 BFED C=CCCCN(C)[C@@H](c1nccn1C)C1CC1 638098803 PJEZBIIAEXNTLA-CYBMUJFWSA-N 233.359 2.769 30 20 BFED C=CCCCCn1cc(-c2cncc(F)c2)nn1 640939140 JTFIITRGICTYDT-UHFFFAOYSA-N 246.289 2.836 30 20 BFED C=CCCN(C)C(=O)[C@H]1CC[C@H](C)CC1 649951584 XXYSLTWZOAFJQS-HAQNSBGRSA-N 209.333 2.847 30 20 BFED C=CCn1c(O)nnc1SCCC=C(C)C 657251592 IPSOYHMXZPAPCJ-UHFFFAOYSA-N 239.344 2.618 30 20 BFED C=CC[C@@H]1CCCN(c2cc(C)nc(OC)n2)C1 664253238 KXWBXCSJLSVJLG-GFCCVEGCSA-N 247.342 2.586 30 20 BFED C=C(C)CCNC(=O)N1CC[C@@H](C2CCC2)C1 665752948 TXYYIWKGEMNRLC-CYBMUJFWSA-N 236.359 2.784 30 20 BFED C=CCC1(N[C@@H]2CC[C@@H](C)C2)CCOCC1 668552459 MSDQIHGEXSKRTB-CHWSQXEVSA-N 223.360 2.890 30 20 BFED C=C[C@@H](C)NC(=O)N[C@H](C)c1ccsc1 669873684 PMRKKRVRBPOIGH-RKDXNWHRSA-N 224.329 2.683 30 20 BFED C#CC1CCN(C(=O)[C@H](C)C(C)(C)C)CC1 692402627 XEQZZUFUCUYVJM-NSHDSACASA-N 221.344 2.540 30 20 BFED N#C[C@@H]1CCCN(c2ncc(Cl)cc2F)C1 693939589 MNOGNXHSBUXSGW-QMMMGPOBSA-N 239.681 2.614 30 20 BFED C#CCCCCC(=O)N1CCCC(F)(F)CC1 702896874 WAUPVWOFUAFFLJ-UHFFFAOYSA-N 243.297 2.828 30 20 BFED C#CCN1CCCC[C@H]1c1ccccc1OC 730062089 IMKQZCGKLFVKGM-AWEZNQCLSA-N 229.323 2.855 30 20 BFED C=CCCSCc1ccccc1-c1nn[nH]n1 735416809 QLTHDCFWPCSAAE-UHFFFAOYSA-N 246.339 2.676 30 20 BFED CC(=NNCC(F)F)c1cccc(C)c1C 740618155 ULICDKCURNLTOK-UHFFFAOYSA-N 226.270 2.882 30 20 BFED CCCn1cccc1C=NOCc1cccnc1 746586102 RELMEAHEUNWHBS-UHFFFAOYSA-N 243.310 2.844 30 20 BFED C=CCCCC(=O)N[C@@H](C)CCSC 748322523 NZWOCQNESLFEAA-JTQLQIEISA-N 215.362 2.601 30 20 BFED CC(C)C(=NO[C@@H]1CCCCO1)C1CC1 755817409 KYPJONKERNUHHS-LLVKDONJSA-N 211.305 2.952 30 20 BFED Fc1ccc(C=NNC2CC2)c(C(F)(F)F)c1 758134445 ZMECWDKMZDEZHJ-UHFFFAOYSA-N 246.207 2.930 30 20 BFED C#CCCN(C)[C@H]1C[C@H](OC)C1(CC)CC 760859606 HXPLIJAYZPQLQY-STQMWFEESA-N 223.360 2.535 30 20 BFED C/C(C=NNc1cnn(C)c1)=C/c1ccccc1 761885285 QJLKHTPVZQLLPR-KEZZZWCQSA-N 240.310 2.921 30 20 BFED C#CCN(c1ncnc2sc(C)cc12)C1CC1 763561255 GRPYYCDSTZKCGV-UHFFFAOYSA-N 243.335 2.602 30 20 BFED Cc1ccc2c(c1)C(=O)/C(=C/c1ccn(C)n1)C2 773154044 QYJXRDLIGVEUNG-FMIVXFBMSA-N 238.290 2.551 30 20 BFED Cc1n[nH]c(C)c1C=NOC1CCCCC1 777456483 BISYNFZGMNDCQT-UHFFFAOYSA-N 221.304 2.710 30 20 BFED COc1cccc(O)c1/C=N\C[C@@H]1CCC=CO1 780150442 UNKBSHIPXTVMGL-SAIXKJTDSA-N 247.294 2.512 30 20 BFED C#CCCCCCC(=O)OCc1nccs1 780259410 YGMXYEVDTJADGV-UHFFFAOYSA-N 237.324 2.770 30 20 BFED CC(=NN[C@@H]1CCCC1(C)C)[C@H]1CCCO1 782298498 AQKXBWCJUZYECZ-VXGBXAGGSA-N 224.348 2.710 30 20 BFED CC(C)(C)CCNN=Cc1ccc(C#N)cc1 782906734 DMKUDTWOPMNWBG-UHFFFAOYSA-N 229.327 2.918 30 20 BFED C=C[C@@](C)(CCOC)C(=O)OCCC1CCC1 783125929 TUGHVWAUQBLNHQ-AWEZNQCLSA-N 240.343 2.949 30 20 BFED C=C(C)CNC(=S)N[C@H]1CCCC(C)(C)C1 785469686 QPJCZUCDMMRYSW-NSHDSACASA-N 240.416 2.995 30 20 BFED C=C(CC)COC(=O)Cc1ncc(C)s1 787019162 TVTLUAIEDUSBAZ-UHFFFAOYSA-N 225.313 2.503 30 20 BFED CCC(C)(C)N(CCC#N)C(=O)/C=C/SC 787944867 RLLKSUNIJWIDPB-JXMROGBWSA-N 240.372 2.794 30 20 BFED C#CCSc1n[nH]c(/C=C\c2ccc(C)o2)n1 789908035 LONXCXWIGGERSX-SREVYHEPSA-N 245.307 2.602 30 20 BFED C#C[C@@H](CCC)NC(=O)NCC(C)(C)C(C)C 791041478 KTNIOKSPACIKSV-LBPRGKRZSA-N 238.375 2.770 30 20 BFED CSCCON=C(C)c1ccc(C#N)cc1 794573527 FAABSKLIVGTGGT-UHFFFAOYSA-N 234.324 2.662 30 20 BFED C[C@@H]1CSCC1=NN[C@@H]1C[C@H]2CC[C@H]1C2 794921684 JRPVMADPERQAIJ-VPOLOUISSA-N 224.373 2.504 30 20 BFED CCC(=NN(C)CCOC)c1ccc(F)cc1 794963449 VQXSAJLSICGTJA-UHFFFAOYSA-N 238.306 2.518 30 20 BFED CCCCCCC=NOCCCOC 795044330 MVBVLOHOADJGQE-UHFFFAOYSA-N 201.310 2.996 30 20 BFED CC(C)(CO)CNN=C1CCC[C@@H]1CCCF 800817904 ZACCTFWOLDYCEW-LLVKDONJSA-N 244.354 2.500 30 20 BFED Cc1cc(C)nc(C(=O)OCCCCC#N)c1 801449008 OSLCTAJSTLJTIK-UHFFFAOYSA-N 232.283 2.549 30 20 BFED C#Cc1ccc(CN2CCS[C@H](C)[C@@H]2C)cc1 809577854 BXVSEPNBPGRLDE-QWHCGFSZSA-N 245.391 2.994 30 20 BFED C#C[C@@H](C)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 809684122 OSDSXNSSRADRIW-NXIHDVOMSA-N 244.294 2.609 30 20 BFED C#CCNC(=S)NCCCCCCCC=C 811703279 ZXDVPRBKZJZTBC-UHFFFAOYSA-N 238.400 2.610 30 20 BFED CC1(C)CC(=NNc2ccc(Cl)nn2)C1 814697996 LYUAGRFEALHELC-UHFFFAOYSA-N 224.695 2.718 30 20 BFED COC[C@H](C)NN=C1CC[C@@H](c2ccccc2)C1 814895673 RCWJAXDEHQXFOO-GXTWGEPZSA-N 246.354 2.935 30 20 BFED CCCC[C@H]1CCC[C@H]1NCCOCCC#N 815088655 JAPWNASDWNAEGI-UONOGXRCSA-N 238.375 2.865 30 20 BFED C=CCC(F)(F)C(=O)N[C@@H]1CCC(C)(C)C1 815910593 BIFBFJBGRLENAB-SECBINFHSA-N 231.286 2.893 30 20 BFED CC(C)(C)c1ccc(SCC(=O)NO)cc1 822219551 JICMDFRWOFRVHU-UHFFFAOYSA-N 239.340 2.582 30 20 BFED C=CCCCCC[C@H](C)N[C@@H](C)CC(=O)NC 825068363 OAXGHGHBMAXOHQ-STQMWFEESA-N 240.391 2.626 30 20 BFED C#CC1CCN(Cc2cc(F)ccc2C)CC1 830345402 BWPDXADXFUWPKK-UHFFFAOYSA-N 231.314 2.979 30 20 BFED C=CC[C@@H](CC)NC(=O)Nc1cccnc1F 832046876 NMBHUMXXNNDYAP-SECBINFHSA-N 237.278 2.697 30 20 BFED CC[C@@H](C)CC=NN1C(=O)c2ccccc2C1=O 834917109 YDOIRRZXZKKTGK-SNVBAGLBSA-N 244.294 2.705 30 20 BFED CC(=NN[C@@H](C)C(F)(F)F)c1ccccc1 834997138 VCSLYTPTTGFGEN-VIFPVBQESA-N 230.233 2.951 30 20 BFED c1cc(NN=C2CCCC23CCC3)ncn1 835001891 RCYVTTMJEGWBHL-UHFFFAOYSA-N 216.288 2.599 30 20 BFED Cc1ccc(CNN=C2CCCN(C)CC2)cc1 835009467 WQKAYNQSRFIHEO-UHFFFAOYSA-N 245.370 2.556 30 20 BFED C[C@@H]1CCC[C@@]1(C)C(=O)OCCCC#N 835265959 VFXSLPKAYLEEIP-ZYHUDNBSSA-N 209.289 2.660 30 20 BFED Cc1sccc1C(=O)OCC(C)(C)C#N 835285928 XYYSBQJTOCOQNS-UHFFFAOYSA-N 223.297 2.763 30 20 BFED C=CC(C)(C)COC(=O)[C@@](C)(C=C)CCOC 835723517 YVIYYSMKOOHKGZ-AWEZNQCLSA-N 240.343 2.971 30 20 BFED CC(C)(C)C#CC(=O)N1CCC[C@@H]2CCC[C@@H]21 837439020 YGYKAMCBNKIBAL-STQMWFEESA-N 233.355 2.827 30 20 BFED O=C(C#CC1CC1)NCCC1=CCCCCC1 837533713 IYENJPWOZYEGBG-UHFFFAOYSA-N 231.339 2.797 30 20 BFED C#CCC[C@H](C)OC(=O)c1cc(C(C)(C)C)n[nH]1 839035204 UREUNIHXONRSBR-JTQLQIEISA-N 248.326 2.666 30 20 BFED N#C[C@H]1CCC[C@@H](OC(=O)CSC2CC2)C1 839064228 VOBACFQGIXTRTE-VHSXEESVSA-N 239.340 2.508 30 20 BFED COc1ccc(C=NOC2CCC2)c(F)c1 844598356 XNROLEPHYLHRQW-UHFFFAOYSA-N 223.247 2.737 30 20 BFED C=CCCC[C@H](C)OC(=O)/C=C(/C)COC 845241130 BRTMZGMXVIVZLA-MMRAYRKESA-N 226.316 2.867 30 20 BFED COc1ccc(N[C@@H](C)[C@@H]2CCCO2)cc1C#N 846748501 RZWBDUHYVZWCEE-GWCFXTLKSA-N 246.310 2.546 30 20 BFED COc1ccc(NCC2(SC)CC2)cc1C#N 846753335 MUTFEKHSAKLBFI-UHFFFAOYSA-N 248.351 2.874 30 20 BFED CCCCCCCCNC(=N)N1CCC1 849015125 SLFVARIHIDXFOL-UHFFFAOYSA-N 211.353 2.577 30 20 BFED CSc1cc(C(=O)O[C@H](C)CC#N)c(C)o1 850842625 MWAVQFHPAZOIFI-SSDOTTSWSA-N 239.296 2.769 30 20 BFED C[C@@H]1CCCCN1N=C1CC(C(F)F)C1 853379423 JBBSWCOFYRYHNU-VEDVMXKPSA-N 216.275 2.892 30 20 BFED CON(C(=O)[C@@H](C)C#N)[C@H](C)c1ccccc1C 854520747 JJKKRMDDVITDOS-NWDGAFQWSA-N 246.310 2.606 30 20 BFED C=C[C@@H](C)ONC(=O)[C@@H]1C[C@H]1c1ccccc1C 855027361 GUFWKGRVSGGRQJ-KWCYVHTRSA-N 245.322 2.721 30 20 BFED C=CCCONC(=O)CC1(C)CCCCC1 856034089 GGVVVOZFTGJNOL-UHFFFAOYSA-N 225.332 2.971 30 20 BFED CCCON=C1CCN(C(C)=O)c2ccccc21 857210999 KOTNUAZPUNBEDX-UHFFFAOYSA-N 246.310 2.574 30 20 BFED C#CC[C@H](CCOC)Nc1nc(C)c(C)s1 858857727 RFJNOUFNSYNYFR-LLVKDONJSA-N 238.356 2.600 30 20 BFED C#CCCOC(=O)N1CCc2ccc(C)cc2C1 859219347 VMXHBDHNDAVYJO-UHFFFAOYSA-N 243.306 2.513 30 20 BFED CCC(C#N)(CC)C(=O)OC[C@]1(C)C[C@@H]1F 860837321 BRUJJZWHMIOSJI-ONGXEEELSA-N 227.279 2.608 30 20 BFED CCCCNN=C(CC)c1ccc(N)cc1 863079790 AKPXPZMLFACATB-UHFFFAOYSA-N 219.332 2.773 30 20 BFED CCOCCON=Cc1ccc2cc[nH]c2c1 863107812 CZHCXZAPILMXNZ-UHFFFAOYSA-N 232.283 2.555 30 20 BFED CC(C)(O)CNN=CC1CCC(C)(C)CC1 863138090 ZBMJUNZHHVTJOZ-UHFFFAOYSA-N 226.364 2.549 30 20 BFED CCOc1ccc(C(C)=NN2CCC2)cc1 872394058 ADFFAOLGRLSMKU-UHFFFAOYSA-N 218.300 2.515 30 20 BFED C[C@@H](CCC#N)CNCc1noc2ccccc12 877620816 JPLOQZGFJGUZGA-NSHDSACASA-N 243.310 2.857 30 20 BFED C=CC(C)(C)CC(=O)NCC(C)(C)COCC 880022111 MBHPHGVLQXHGRF-UHFFFAOYSA-N 241.375 2.768 30 20 BFED C#C[C@@H](CCC)NC(=O)Nc1ccsc1C 880398412 HIFABGPLABXHLD-JTQLQIEISA-N 236.340 2.980 30 20 BFED C=C(C)C(C)(C)C(=O)NC[C@@H]1C=CCC1 881500744 JOJHVCNTCGLGKB-LLVKDONJSA-N 207.317 2.671 30 20 BFED COCCC(C)(C)CNc1ccc(C)nc1C#N 882187744 IFYAXAQVLZGZNW-UHFFFAOYSA-N 247.342 2.736 30 20 BFED C=C1CCN(c2cc(C(F)F)ncn2)CC1 892415729 MWSNHUSIBSZEBW-UHFFFAOYSA-N 225.242 2.571 30 20 BFED CCC#CCOC(=O)c1cc(C)n(C(C)(C)C)n1 893839126 XWHADOXBTPRABA-UHFFFAOYSA-N 248.326 2.517 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1cccc2nccn12 895504712 CNOFFPATNCKPOY-NSHDSACASA-N 243.310 2.875 30 20 BFED C#Cc1ccc(N[C@H](CC)COC)cc1 898497604 ACQJJYUCMFDRPC-GFCCVEGCSA-N 203.285 2.505 30 20 BFED C=C1CN(C(=O)[C@@H](CC)Sc2ccccc2)C1 898696546 GVEANIBYFMCTJC-CYBMUJFWSA-N 247.363 2.956 30 20 BFED C=C1CN(C(=O)[C@H](CC)Oc2ccccc2C)C1 898698458 MKADFBMPCZYJTM-ZDUSSCGKSA-N 245.322 2.551 30 20 BFED CC[C@@H](C)NN=Cc1ccc(OC)cc1C 901233098 HWNISZNHGMZDKH-LLVKDONJSA-N 220.316 2.726 30 20 BFED CC[C@@H]1COCC1=NNc1ccc(F)c(F)c1 901317630 LRFPWVOIPFJBPA-MRVPVSSYSA-N 240.253 2.789 30 20 BFED C=CC[S@@](=O)[C@@H](C)c1ccc(F)cc1 905165535 IYVKUYVZTXIEBL-LKFCYVNXSA-N 212.289 2.821 30 20 BFED C=CCCN[C@H](C(=O)O)c1cc(C)cc(C)c1 905390377 HVBPQXGVQCLKBS-ZDUSSCGKSA-N 233.311 2.595 30 20 BFED C=CCCOCC(=O)Oc1ccc(Cl)cc1 920714665 ZQDAYWDOXUGSFO-UHFFFAOYSA-N 240.686 2.838 30 20 BFED CC(C)[C@H](c1ccccc1)N(C)C[C@H](O)CC#N 929632877 ZDJQQIHFDBBJQH-HUUCEWRRSA-N 246.354 2.590 30 20 BFED Cc1ccc(C#N)cc1C(=O)N[C@@H]1CCC[C@@H]1C 932055843 AWFMXKMAVRGIBH-SMDDNHRTSA-N 242.322 2.785 30 20 BFED C#Cc1ccc(NC(=O)NOCC2CCC2)cc1 934921230 CICYXNLFQMYAAB-UHFFFAOYSA-N 244.294 2.521 30 20 BFED C=C[C@H](CC)CC(=O)N(C)CCC1CC1 935010060 BMFLPPDNFVAWBI-LLVKDONJSA-N 209.333 2.847 30 20 BFED C=CCCCNC(=O)[C@H](C)c1cccc(O)c1 935725547 WGPVVPQGBZSTMC-LLVKDONJSA-N 233.311 2.578 30 20 BFED C=CCn1cnnc1S[C@@H](C)C(F)(F)F 1116311195 KPHJIWMIDBFJMQ-LURJTMIESA-N 237.250 2.507 30 20 BFED C=C(C)CCC(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(C)C 1120715121 VWTXEMSKCMVJGB-UHTWSYAYSA-N 239.359 2.518 30 20 BFED CC[C@H](C)NC(=O)[C@H](CC#N)c1ccccc1 1124134310 MNXMMAFGQPIUAX-WCQYABFASA-N 230.311 2.599 30 20 BFED Cc1cnccc1Sc1ncc(C#N)cc1F 1163352502 GTHLYCIBADNHFY-UHFFFAOYSA-N 245.282 2.947 30 20 BFED C=C(C)CN(C)CCCNC(=O)CCCCC 1233977154 BZPJRVWBWOELOK-UHFFFAOYSA-N 240.391 2.581 30 20 BFED C=C[C@H](CC)CC(=O)O[C@H](C)Cc1cnccn1 1263605349 STZOYBPNMIOHCH-VXGBXAGGSA-N 248.326 2.553 30 20 BFED Cc1ncsc1C=NNCc1ccc(F)cc1 1319372223 ALFTWECYTAANTJ-UHFFFAOYSA-N 249.314 2.714 30 20 BFED C=CCn1cnnc1SCC/C=C/CC 1320270550 HOOVRVAYKAYKPK-AATRIKPKSA-N 223.345 2.913 30 20 BFED C=CCCCCCN(C)C(=O)[C@@H](C)n1ccnc1 1322011847 HGKJEQIPXZKJPE-CYBMUJFWSA-N 249.358 2.649 30 20 BFED C#CCN(CC1CC1)C(=O)C[C@H]1CCC[C@@H]1C 1324028699 XXSLTNSZKKFKBU-GXTWGEPZSA-N 233.355 2.685 30 20 BFED C=C(C)C(C)(C)c1nnc([C@H]2CCO[C@H]2C)o1 1327061162 ZZPMSIWOVAECLK-UWVGGRQHSA-N 236.315 2.816 30 20 BFED C=C(C)CCC(=O)N[C@H](C)CC(=O)c1ccco1 1336403881 KIFWGXGVGHBPSK-LLVKDONJSA-N 249.310 2.713 30 20 BFED C=C(C)CCC(=O)Nc1ccc(OC)c(C#N)c1 1338959013 CDDREPFMHRHHTG-UHFFFAOYSA-N 244.294 2.862 30 20 BFED CC[C@H](C#N)N(CC)C(=O)[C@H]1C[C@]1(C)C(C)C 1339195346 KGMGRGVYBXUFCU-YRGRVCCFSA-N 236.359 2.819 30 20 BFED C#CC[C@@H](C)OC(=O)C[C@@]1(C)CC1(Cl)Cl 1342700935 VGNVMQFERYENFC-SCZZXKLOSA-N 249.137 2.915 30 20 BFED C=C(C)COC(=O)c1ccnn1[C@@H](C)CC 1342937582 GUTSXORVPNJOOP-JTQLQIEISA-N 222.288 2.587 30 20 BFED C=C1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 1347822946 XSDOIPUIZXHISK-UHFFFAOYSA-N 248.282 2.760 30 20 BFED C=C(C)CNC(=O)N1CCC[C@H]1CCC 1357391252 GMHSNRDEJWJEAI-LLVKDONJSA-N 210.321 2.537 30 20 BFED Cc1cc[nH]c1C(=O)Nc1scc(C)c1C#N 1459919675 JLGAQZIBERALDN-UHFFFAOYSA-N 245.307 2.817 30 20 BFED CC(C)CN(CCC#N)Cc1ncccc1F 1462021569 YWIIBQXMVQFZMY-UHFFFAOYSA-N 235.306 2.592 30 20 BFED C#Cc1cccc(N(C(=O)[C@H]2C[C@@H]2F)C(C)C)c1 1517111244 NQFLDPHEUBGGKW-KBPBESRZSA-N 245.297 2.767 30 20 BFED N#Cc1ncccc1SCCc1cncs1 1651984150 PTWMNDZWFOCJLF-UHFFFAOYSA-N 247.348 2.745 30 20 BFED C=C1CC(CN2CC(C)(C)C[C@@H]2CC(=O)O)C1 1776144722 KRPSLTVDPXSSBB-LBPRGKRZSA-N 237.343 2.528 30 20 BFED C=C[C@H]1CCCCN1c1nc(C)ccc1C(=O)O 1776150675 TZEVMEQHZFVWNC-NSHDSACASA-N 246.310 2.633 30 20 BFED C[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1 19506460 ZSHPWZZWUMQDRM-LLVKDONJSA-N 232.302 2.929 30 20 BFED N#Cc1cccnc1NCc1ccsc1 52129372 DFCHJZLZIHDFGB-UHFFFAOYSA-N 215.281 2.627 30 20 BFED C=CCOc1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 55722503 OFJRJDXQHZILLR-ZWNOBZJWSA-N 231.295 2.846 30 20 BFED COCCCNc1ccc(C#N)cc1Cl 62790832 BFCAGGNEZHQYGV-UHFFFAOYSA-N 224.691 2.660 30 20 BFED Cc1ccc(C)c(C(=O)N2CCC(C#N)CC2)c1 70217905 YDBBCTBQRGHJAE-UHFFFAOYSA-N 242.322 2.679 30 20 BFED C[C@@H]1CCC[C@@H](C)N(c2ccc(C#N)cn2)C1 78342324 VFXUTZKFXGVAHQ-VXGBXAGGSA-N 229.327 2.968 30 20 BFED C=CCNC(=O)N(C)[C@H](CC)Cc1ccccc1 80580058 CXDWTHIHXKWCHE-CQSZACIVSA-N 246.354 2.835 30 20 BFED C=C(Cl)C[S@@](=O)Cc1nc(C)c(C)s1 86975797 ZXARPNNZLJQGPU-AWEZNQCLSA-N 249.788 2.761 30 20 BFED CC1(C)CCCN(C(=O)C2(C#N)CCC2)CC1 88055638 BMNJETPUBZEFQD-UHFFFAOYSA-N 234.343 2.719 30 20 BFED C=CCCN[C@H](C)c1ccccc1OC 88162780 UMYQNHRKVSHFLU-LLVKDONJSA-N 205.301 2.922 30 20 BFED CCC(C#N)(CC)C(=O)Nc1cccnc1C 91497154 UNCBQRQFZYTRSY-UHFFFAOYSA-N 231.299 2.659 30 20 BFED CCN(C)C(=O)Nc1ccc(C#N)c(Cl)c1 101739293 YIWDWGYYJSUJHA-UHFFFAOYSA-N 237.690 2.695 30 20 BFED N#Cc1ccc(N2CCC(C#N)CC2)cc1Cl 110383082 WNCQAJKYYQQTHD-UHFFFAOYSA-N 245.713 2.952 30 20 BFED C=CC[C@@H](C)NC(=O)C1(c2cccc(F)c2)CC1 116851580 WOVFFDKUTGWNTJ-LLVKDONJSA-N 247.313 2.938 30 20 BFED C=CCOC(=O)COc1cccc(C(C)C)c1 119701660 UAQBQZSZFUGEOT-UHFFFAOYSA-N 234.295 2.918 30 20 BFED C=CCC[C@@H](O)CN(CC)c1ccccc1 123154962 VOLRDKXGYUBKBW-CQSZACIVSA-N 219.328 2.840 30 20 BFED C=C[C@H](C)NC(=O)N[C@@H](C)C1CCCCC1 128511403 YESGSDFHJWSBMJ-QWRGUYRKSA-N 224.348 2.829 30 20 BFED C[C@@H]1CC[C@@H](NCc2ccc(C#N)s2)C1 128517975 FDBLQIYZPDHASI-NXEZZACHSA-N 220.341 2.898 30 20 BFED CC[C@H](C#N)C(=O)N[C@@H]1CCCC(C)(C)C1 149814378 RGIUNUVRCLUQHL-GHMZBOCLSA-N 222.332 2.621 30 20 BFED Cc1cccc(NC(=O)N[C@H](C)CC#N)c1C 153128623 XCWDCSHTCFABQJ-SNVBAGLBSA-N 231.299 2.727 30 20 BFED N#Cc1ccc(N[C@H]2[C@@H]3c4ccccc4C[C@H]32)nc1 155302175 DPADBFIXENLXAW-FVQBIDKESA-N 247.301 2.703 30 20 BFED C#Cc1cccc(N[C@@H]2CCN(C)[C@H](C)C2)c1 155776247 NMFLOXQMRKWQSR-IUODEOHRSA-N 228.339 2.563 30 20 BFED C[C@H](NC(=O)C1(C#N)CCC1)c1ccsc1 156942810 AXNQDQUTGPBCLI-VIFPVBQESA-N 234.324 2.619 30 20 BFED C=CCNC(=O)CCc1c[nH]c2c(C)cccc12 158246312 GOVRFZFDOVXZJX-UHFFFAOYSA-N 242.322 2.711 30 20 BFED CC[C@@H](C)CN(C)c1cc(C#N)cc(C)n1 160967151 NYJKFTFVVOEJMT-SNVBAGLBSA-N 217.316 2.744 30 20 BFED N#Cc1ccc(CSCC(=O)O)c(Cl)c1 162515983 AQSHHJGXVUNSDB-UHFFFAOYSA-N 241.699 2.529 30 20 BFED C=C(C)CNC(=O)N[C@H]1CCc2cc(F)ccc21 163131700 NGSBBUTYCRYVDH-ZDUSSCGKSA-N 248.301 2.688 30 20 BFED C=CC[C@H](C)Nc1cc(CC)nc(C)n1 163797306 BGMHDCPGSAPMFV-VIFPVBQESA-N 205.305 2.724 30 20 BFED CC(C)(C#N)CCCN(CCCCO)C1CC1 174865429 MQYJMAXKBAOCSN-UHFFFAOYSA-N 238.375 2.553 30 20 BFED CC(C)=CC(=O)N[C@H](C#N)C1CCCCC1 176599411 IKPRSDKTTFVHIY-GFCCVEGCSA-N 220.316 2.541 30 20 BFED C=CCOC(=O)CCCc1csc(C)n1 176754065 VKHDDNUIKLRMQA-UHFFFAOYSA-N 225.313 2.503 30 20 BFED C=CCCSCC(=O)N1CCC(C)CC1 177855800 FKHVGBSEPAEFPG-UHFFFAOYSA-N 227.373 2.554 30 20 BFED C=CCN[C@H](c1ccc2c(c1)OCCO2)C1CC1 179751572 QPBIOEHVSJXAPB-HNNXBMFYSA-N 245.322 2.685 30 20 BFED C=C(C)CN(C)Cc1ccc(F)c(C#N)c1 181254016 JCTBAZPJUNJHTM-UHFFFAOYSA-N 218.275 2.705 30 20 BFED C#CCC(C)(C)C(=O)N[C@H](C)CCSCC 185727090 UACAFALUPUBNNY-LLVKDONJSA-N 241.400 2.684 30 20 BFED C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CC(C)C 189576737 RDZLOXFNYXSDBR-OCCSQVGLSA-N 241.375 2.766 30 20 BFED C=CCCOCCN[C@H]1CCCc2occc21 193052658 ZTFPURNVMWJZKG-ZDUSSCGKSA-N 235.327 2.839 30 20 BFED C=CC[C@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] 194722266 MLODAATWOYHODF-JTQLQIEISA-N 248.282 2.598 30 20 BFED C[C@@H]1CCC[C@@H]1CNC(=O)C1(C#N)CCCC1 230683210 WEUUSDNVMMHYFE-VXGBXAGGSA-N 234.343 2.623 30 20 BFED C#C[C@@H](CCC)Nc1ncnc2ccccc12 233297502 QULSJYNYBCOQCC-NSHDSACASA-N 225.295 2.844 30 20 BFED CN(CCCCC(C)(C)C#N)C1CCOCC1 234271216 IJOXGBWSLIAHKA-UHFFFAOYSA-N 238.375 2.817 30 20 BFED C[C@H](NCC(C)(C)CCC#N)C1CCOCC1 235508417 TZWVVIDOSWILGN-LBPRGKRZSA-N 238.375 2.721 30 20 BFED CCN(CCC#N)C(=O)C(C)=C1CCCC1 268117276 SUHMSOJZXQUIFN-UHFFFAOYSA-N 220.316 2.639 30 20 BFED C=CCCN(C)C(=O)c1cccc(C)c1 276380382 LJOOBDZHVFEXRY-UHFFFAOYSA-N 203.285 2.643 30 20 BFED C#CCN(C(=O)[C@H](CC)c1ccccc1)C1CC1 279870098 SUSLZTSECWWWNA-OAHLLOKOSA-N 241.334 2.804 30 20 BFED C=CC[C@H](CC)NC(=O)c1ccccc1F 281039182 ITTVDDVGLQBUEK-JTQLQIEISA-N 221.275 2.910 30 20 BFED C=CC[C@@H](CC)NC(=O)C1=CCCCC1 281059843 LFQUXTSCLSRVHW-GFCCVEGCSA-N 207.317 2.958 30 20 BFED C#C[C@H](NC(=O)c1sccc1CC)C(C)C 282063708 MPYURKNCTVAKLM-NSHDSACASA-N 235.352 2.698 30 20 BFED N#CCCCCN1CCCC[C@@H]1c1cc[nH]n1 285421484 QGJJLCXPSDMJOK-CYBMUJFWSA-N 232.331 2.631 30 20 BFED CC[C@](C)(C#N)c1nc(-c2cccc(C)n2)no1 288835854 CAJNMMBPUUDABN-CYBMUJFWSA-N 242.282 2.631 30 20 BFED C#C[C@@H](C)NCc1cscc1Br 289112300 CWUUEMZUXFFXJO-SSDOTTSWSA-N 244.157 2.622 30 20 BFED Cc1nc(N2C[C@@H](C)C[C@@H](C)C2)ccc1C#N 291683823 ROQUUSNRZBBCIZ-PHIMTYICSA-N 229.327 2.744 30 20 BFED CSC[C@@H]1CCCN(c2cnccc2C#N)C1 292206570 HBJRQCBFZSXTNP-LLVKDONJSA-N 247.367 2.533 30 20 BFED C=CC[C@@H](CC)NC(=O)c1c[nH]nc1C(C)(C)C 293595014 KQLRHOAZPKRYAG-SNVBAGLBSA-N 249.358 2.792 30 20 BFED C=CCCc1noc(-c2cc(C)sn2)n1 297206351 GJVGAGLUQONEEV-UHFFFAOYSA-N 221.285 2.620 30 20 BFED C=C[C@@H](Sc1cc(F)ccc1F)C(=O)OC 301033281 SGIRDGBYFTXNGE-SECBINFHSA-N 244.262 2.785 30 20 BFED Cc1cc(N[C@@H](C)c2cccc(C#N)c2)ncn1 301460146 UFJOHDQHYXEBIW-NSHDSACASA-N 238.294 2.830 30 20 BFED C[C@@H]1CSC[C@H]1Nc1ccc(C#N)cc1F 304525832 PUUOMDQWDPZKCC-PRHODGIISA-N 236.315 2.861 30 20 BFED CCNC(=NCC(C)(C)C1CCCC1)NCC 305258773 QCQYGFNJXHKCFU-UHFFFAOYSA-N 239.407 2.778 30 20 BFED CSCCON=C(C)c1ccsc1 308319677 ZOFQBPHNAHBJBY-UHFFFAOYSA-N 215.343 2.852 30 20 BFED C=CCC(C)(C)CN[C@H](C)c1cn(C)nc1C 310589174 YAVUWWVVNVEPBX-LLVKDONJSA-N 235.375 2.981 30 20 BFED C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C#N)c1ccsc1 331119333 WSLXOOSPPGSFRL-HOSYDEDBSA-N 248.351 2.660 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ncc(C)o1 331263631 FWIBPAPKJWVZHX-GXFFZTMASA-N 236.315 2.763 30 20 BFED Cc1ccc(CN2CCCC(C)(C)[C@@H]2C#N)nc1 334853805 WRKSLLIMCAEZLD-AWEZNQCLSA-N 243.354 2.904 30 20 BFED CC[C@]1(C)CCN(C(=O)NCC2(C#N)CCC2)C1 334949268 VLCRHENOXNRBCZ-CYBMUJFWSA-N 249.358 2.512 30 20 BFED C[C@H]1CC[C@H](C(=O)N2CCC(CCC#N)CC2)C1 335500910 NZLCOMCRQVCEGG-JSGCOSHPSA-N 248.370 2.965 30 20 BFED CC1=C(C)CN(c2cc(C)ncc2C#N)CC1 335511924 PCXXVSDPXWMTIR-UHFFFAOYSA-N 227.311 2.808 30 20 BFED C[C@@H]1CC[C@@H](C(=O)NCc2ccc(C#N)cc2)C1 335820341 XBMYKWBBIZPVDD-BXUZGUMPSA-N 242.322 2.611 30 20 BFED CC[C@@]1(C)C[C@H]1C(=O)N1CCC(C)(C#N)CC1 335972726 JYEUGGVGGRLUGN-FZMZJTMJSA-N 234.343 2.575 30 20 BFED C=C(C)CN(C)C(=O)c1ccc(C)s1 335980467 JRDWPHZEUFGQTD-UHFFFAOYSA-N 209.314 2.705 30 20 BFED C=C(C)CNC(=O)c1cc(C#N)ccc1Cl 336253049 WTDUGFDTHBVEKC-UHFFFAOYSA-N 234.686 2.518 30 20 BFED CC[C@@](C)(C#N)C(=O)N1CCC[C@@](C)(CC)C1 336437244 MYWFNKMVEWGWJL-KGLIPLIRSA-N 236.359 2.965 30 20 BFED C=CCC(C)(C)CN[C@H](C)[C@H]1CCOC1 336651442 AIDBFYUKPMQRNA-NEPJUHHUSA-N 211.349 2.603 30 20 BFED CC#CCCNCc1ncc(C(C)(C)C)s1 336679943 RADXADCSNOGYBA-UHFFFAOYSA-N 236.384 2.944 30 20 BFED C=C[C@@H]1CCCCN1CCOCC(C)C 337366186 KXKWRONLHRKNLH-CYBMUJFWSA-N 211.349 2.700 30 20 BFED Cc1c(C#N)cccc1C(=O)NC[C@H]1CC1(C)C 338119786 QYBGVWMZPPGHDD-GFCCVEGCSA-N 242.322 2.643 30 20 BFED CCCCS[C@@H](C)C(=O)N(C)C[C@@H](C)C#N 338149910 LKSHPOIABHVSLD-QWRGUYRKSA-N 242.388 2.526 30 20 BFED C=CCC(C)(C)CNCc1c(Cl)cnn1C 339415415 CCIXXPZONMOGJQ-UHFFFAOYSA-N 241.766 2.765 30 20 BFED C=CC[C@H](CO)CN[C@@H](C)c1cccc(C)c1 341875639 JGDLZWZJKJRFTL-KBPBESRZSA-N 233.355 2.830 30 20 BFED C=C(C)CN(C)Cc1cnc(C(C)(C)C)nc1 342782226 RZKKRLDLVXWBOV-UHFFFAOYSA-N 233.359 2.782 30 20 BFED C=CC[C@H](CO)CN[C@@H](CCC)c1cccnc1 349772050 BGSDGYDIVPHDAV-ZFWWWQNUSA-N 248.370 2.697 30 20 BFED C=CCCc1nc(-c2ccc(C)c(C)n2)no1 351247609 VJIFIXXSIQECEI-UHFFFAOYSA-N 229.283 2.867 30 20 BFED CCc1nocc1CN(CCC#N)CCC(C)C 351394494 FKMKXUKDGGYQDY-UHFFFAOYSA-N 249.358 2.999 30 20 BFED C=C(C)CCN(C)Cc1csc(C)n1 351889648 BXPODZHOGRXFEQ-UHFFFAOYSA-N 210.346 2.850 30 20 BFED C=CCC(C)(C)CNC(=O)[C@](C)(CC)OC 352494305 AGBFDVCXTNJKAC-ZDUSSCGKSA-N 227.348 2.520 30 20 BFED C=CCCC[C@H](C)N(C)[C@@H]1CCC[C@@H]1O 352703941 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244.338 2.607 30 20 BFED CC[C@@H](CC#N)NC(=O)Nc1ccc(NC)cc1 599609493 IWAACAJGGWFBLN-JTQLQIEISA-N 246.314 2.542 30 20 BFED C=CCS[C@@H]1CCN(C2CCCCC2)C1=O 600620254 FWCKZGXJZNZITI-GFCCVEGCSA-N 239.384 2.839 30 20 BFED CCC1(CNCc2cccc(C#N)n2)CCC1 602572083 JSYQMBUUXLNAHI-UHFFFAOYSA-N 229.327 2.623 30 20 BFED Cc1cccc2c(=NC3CC=CC3)c(C#N)c[nH]c12 610735616 NEACFUNARYTJCR-UHFFFAOYSA-N 249.317 2.967 30 20 BFED C=C[C@](C)(CC)C(=O)NCCC(C)(C)F 618410478 HLNRLSVDSFOZSQ-GFCCVEGCSA-N 215.312 2.843 30 20 BFED Cc1ccc(CCN[C@H]2CCC[C@@H](C#N)C2)o1 618562664 XZOOLNFBJYKQKR-OLZOCXBDSA-N 232.327 2.803 30 20 BFED C=C[C@@](C)(CC)C(=O)Nc1nccc(C2CC2)n1 637537114 WGIAOHANCIUDQR-AWEZNQCLSA-N 245.326 2.895 30 20 BFED C=CCN(CC=C)C(=O)c1c(C)cncc1C 643388543 FIQMHWZAIRQEGV-UHFFFAOYSA-N 230.311 2.513 30 20 BFED C=CC[C@@H]1CCCN(C(=O)NCc2ccco2)C1 656543427 DSODUEUGLWGFRQ-GFCCVEGCSA-N 248.326 2.777 30 20 BFED C=CCCN[C@@H](C)c1ccc(C)nc1C 658117619 XZLMWLYOYCOFPZ-NSHDSACASA-N 204.317 2.925 30 20 BFED 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C=C[C@@](C)(O)CC(=O)NC[C@@H](CC)CCCC 346139310 QRLDAIVOPURZRH-GXTWGEPZSA-N 241.375 2.646 30 20 BFED C[C@H](NCC(C)(C)CCC#N)[C@H]1CCCOC1 348206145 LANUOGODXGKLGI-STQMWFEESA-N 238.375 2.721 30 20 BFED C=CC[C@H](C)NC(=O)c1cccc2oc(C)nc12 349887492 ZQTFCELTDSBIHN-VIFPVBQESA-N 244.294 2.831 30 20 BFED C=C[C@H](C)NC(=O)[C@H]1CCCC[C@H]1CC 356385077 GSAXKTKPSCKFFE-TUAOUCFPSA-N 209.333 2.894 30 20 BFED C=C(CC)COc1ccccc1NC(C)=O 358559515 JZEOETHXENXDKV-UHFFFAOYSA-N 219.284 2.990 30 20 BFED C=C(CC)COc1cccc(-n2cncn2)c1 358658981 WXAORWPEMARVEC-UHFFFAOYSA-N 229.283 2.612 30 20 BFED COCCN[C@@H]1CCCCc2cc(C#N)ccc21 360816759 BOWBUYMFBDVEFP-OAHLLOKOSA-N 244.338 2.562 30 20 BFED C#CCCN1CCC[C@@H]1c1ccc(O)cc1 363466374 GACUAJHYSMEQET-CQSZACIVSA-N 215.296 2.552 30 20 BFED C[C@@H](C#N)OCCNc1cccc(F)c1Cl 381334791 VHWSHBKAMAKXGT-QMMMGPOBSA-N 242.681 2.820 30 20 BFED C=CC[C@H](CO)CN[C@H](C)CCCC(C)C 381459949 JJGBFILIAXXAMY-KGLIPLIRSA-N 227.392 2.975 30 20 BFED N#Cc1c(C(F)(F)F)n[nH]c1C1CCC1 409439888 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UUMANEXWKSFMDY-CHWSQXEVSA-N 211.349 2.747 30 20 BFED C=CCCOCCNC(=O)[C@@H]1CCC[C@@H]1CC 450250346 JDYQBVUJOGEFOJ-QWHCGFSZSA-N 239.359 2.522 30 20 BFED C=C(CC)CN(C)[C@@H](CO)CC(C)(C)C 451791827 RBRAYDVVCQTSJP-GFCCVEGCSA-N 213.365 2.682 30 20 BFED C=CC(C)(C)CNC(=O)c1ccc(F)c(F)c1 456113395 GKQTYKBQOSDKOL-UHFFFAOYSA-N 239.265 2.907 30 20 BFED C=C(C)CCNC(=O)N(CC1CC1)C1CCC1 459008624 UIRYVRFCHMFMOS-UHFFFAOYSA-N 236.359 2.927 30 20 BFED C=CCN(CC=C)C(=O)N[C@@H]1C[C@@]1(C)C(C)C 459238816 DOLMDGKUUSMVHD-OCCSQVGLSA-N 236.359 2.805 30 20 BFED CC#CCCNC(=O)N(C)[C@H](C)c1ccccc1 483423318 SZVRKIRRRXTQKQ-CYBMUJFWSA-N 244.338 2.802 30 20 BFED C#C[C@H](C)N(C)C(=O)/C=C\Sc1ccccc1 491362331 RBIJUAGLGXICQZ-WEHUKYGOSA-N 245.347 2.773 30 20 BFED C#C[C@@H](C)N(C)C(=O)C(C)(C)CC(C)C 491709302 WFUBWYKGCJXLPR-LLVKDONJSA-N 209.333 2.539 30 20 BFED C/C=C(/C=C\C(=O)N[C@H](C#N)CCC)CC 492119839 RKUNUDRAJODMAM-FYSLKHOQSA-N 220.316 2.707 30 20 BFED N#CCN(C/C=C\c1ccncc1)C1CCCC1 494927008 XIQFGYGNNLEEIW-ARJAWSKDSA-N 241.338 2.863 30 20 BFED COc1cc(C#N)ccc1OCC[C@@H](C)F 505456086 VKPZYFFQIGFYAF-SECBINFHSA-N 223.247 2.694 30 20 BFED C=CCN(CC=C)C[C@@H]1C[C@H]2C=C[C@H]1C2 505895172 UYTCSHRUKVWZGS-IHRRRGAJSA-N 203.329 2.873 30 20 BFED C=CCOCCCSc1cccnc1C#N 521644001 VFKPIXVAYNTCMO-UHFFFAOYSA-N 234.324 2.638 30 20 BFED C[C@H](CC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccco1 529504054 XUHRWZYMGSLPCK-GRYCIOLGSA-N 246.310 2.582 30 20 BFED N#Cc1cc(F)ccc1Cn1ccnc1C1CC1 530130698 JFZHBYTVXWEVOC-UHFFFAOYSA-N 241.269 2.820 30 20 BFED C[C@@H](C(=O)Nc1cc(CC#N)ccn1)C(C)(C)C 531928528 HEEVXUSSCYJGSP-JTQLQIEISA-N 245.326 2.768 30 20 BFED CC[C@@]1(C)C[C@H]1C(=O)Nc1cc(CC#N)ccn1 532434785 BSLDKYNOJSEAOA-FZMZJTMJSA-N 243.310 2.522 30 20 BFED C=CCCCS(=O)(=O)N(C)[C@@H](C)C(C)(C)C 565457038 MEPVPSTTZDAXFY-NSHDSACASA-N 247.404 2.649 30 20 BFED CC(C)Oc1cccc(NCCC#N)c1 566128358 UKBXLFVKOZHRQU-UHFFFAOYSA-N 204.273 2.799 30 20 BFED CC(C)c1nc(CN2CC(C)(C#N)C2)cs1 568959206 KZXHXJBNIWEXQY-UHFFFAOYSA-N 235.356 2.612 30 20 BFED CC(C)[C@H](NCC(C)(C)CC#N)C1CC1 580999293 SGQIXRVUDCBGHQ-LBPRGKRZSA-N 208.349 2.950 30 20 BFED CC(C)CC[C@@H](C)NC(=O)c1cccc(C#N)n1 589268724 QYLZDIIRWIESFI-LLVKDONJSA-N 245.326 2.508 30 20 BFED N#CCCCCN1CCC[C@@H]1[C@H]1CCCOC1 592134939 VEXPIRZRURULGU-UONOGXRCSA-N 236.359 2.571 30 20 BFED CC[C@H](C#N)C(=O)N(Cc1ccc(C)o1)C1CC1 593408003 DGXWBTMAYTWMRT-LLVKDONJSA-N 246.310 2.629 30 20 BFED CCSC1(CN[C@@H]2CCC[C@H](C#N)C2)CC1 595099703 ONLQZVCXISJSSE-NWDGAFQWSA-N 238.400 2.944 30 20 BFED CC1=CCN([C@@H](C#N)c2ccccc2)CC1 595394057 VMQQHGWCKMBDMW-AWEZNQCLSA-N 212.296 2.903 30 20 BFED CCC[C@H]1CCCN(Cc2cccc(C#N)n2)C1 602475806 KUWQXSKXPFJSMB-ZDUSSCGKSA-N 243.354 2.965 30 20 BFED CCSCC[C@H](C)NCc1cccc(C#N)n1 602555879 COYRWKNNWMWJJY-NSHDSACASA-N 249.383 2.575 30 20 BFED CCc1nocc1CN(C)C[C@H](C)CCC#N 602677065 RLXQQAWDLVQBNT-LLVKDONJSA-N 235.331 2.609 30 20 BFED C[C@@H]1C[C@@H]1c1ccc(CN2CC[C@@](F)(C#N)C2)o1 615650094 DVFBRORLDUYVBH-SCDSUCTJSA-N 248.301 2.841 30 20 BFED CC(C)(C)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618784547 CIAPRNBENQACIQ-ZDUSSCGKSA-N 242.322 2.708 30 20 BFED C=CCCC(=O)NC[C@H](OC)C1CCCCC1 620378207 MSUQBQGYPBBTMT-ZDUSSCGKSA-N 239.359 2.664 30 20 BFED C=C(CC)CNC(=O)Nc1cccc(N)c1C 625908613 MKTPVDWCNILMOA-UHFFFAOYSA-N 233.315 2.665 30 20 BFED C=C(C)CNC(=O)N1[C@H]2CC[C@H]1CC(C)C2 661046982 XIJYUAJHAFXAQL-RYUDHWBXSA-N 222.332 2.535 30 20 BFED C=CC[C@@H]1CCCN(Cc2cn(C(C)C)nn2)C1 661385013 MWBFLVXOKGTXBT-CYBMUJFWSA-N 248.374 2.647 30 20 BFED C=CCC1(NCc2occc2C(=O)O)CCCC1 690751728 VXALWKPOVHYIDJ-UHFFFAOYSA-N 249.310 2.956 30 20 BFED C#CCCCCC(=O)N1C[C@H](C)C[C@@H]1CC 692916397 IILFVAYOCBYFDB-OLZOCXBDSA-N 221.344 2.827 30 20 BFED C=CCCSCCNc1nccnc1Cl 696079282 PLJKMTJYQRTIID-UHFFFAOYSA-N 243.763 2.851 30 20 BFED C=C(CN[C@H]1COC[C@H]1CC)c1ccccc1 699890933 QTJOHAYSRIMIEP-HIFRSBDPSA-N 231.339 2.714 30 20 BFED C#C[C@H](NC(=O)C1(C(C)(F)F)CC1)C(C)(C)C 702258023 VRCDIROLZKUDMR-VIFPVBQESA-N 243.297 2.586 30 20 BFED Cn1ncc(CNc2cccc(C#N)c2)c1Cl 712421011 HLMPGXGGBBNOGR-UHFFFAOYSA-N 246.701 2.557 30 20 BFED C=C/C=C/CCN1CCC(CC#N)CC1 713645439 NQXGEVWVDQXSHD-ONEGZZNKSA-N 204.317 2.744 30 20 BFED C=C1CCC(CNc2ncccc2C(=O)O)CC1 724475937 WLKBTYCGBCHUND-UHFFFAOYSA-N 246.310 2.938 30 20 BFED CCCCC(C)=NNc1ccc(C)nn1 729936200 LHOGGQRVDGPJEB-UHFFFAOYSA-N 206.293 2.763 30 20 BFED C=CCCCOC(=O)c1cc(F)c(F)cc1N 735535408 WDZVYOBWKVYABU-UHFFFAOYSA-N 241.237 2.670 30 20 BFED CCC/C=C\C(=O)N(CC#N)C1CCCC1 737923071 JTDJNXWLSNGEDU-WTKPLQERSA-N 220.316 2.637 30 20 BFED COCC(=NOCc1ccccc1)C(C)C 741456544 BZPXNFQUAYJOMW-UHFFFAOYSA-N 221.300 2.862 30 20 BFED C#C[C@@H](CC)NC(=O)/C=C(\C)c1ccc(F)cc1 754390687 ZBZNHBKZWUCKEF-VNDWYCCKSA-N 245.297 2.757 30 20 BFED C=C(Cl)CNC(=O)N[C@@H]1[C@@H](C)CCC[C@H]1C 754925934 GDIUASCFBPHHRK-JZYVYDRUSA-N 244.766 2.863 30 20 BFED CCCNN=Cc1coc(-c2ccccc2)n1 755651324 JAGVZWNYEGAUIQ-UHFFFAOYSA-N 229.283 2.675 30 20 BFED C=CCC(CC=C)C(=O)OCC(=O)CCC 759010745 LKODOBKEPBZXTE-UHFFFAOYSA-N 224.300 2.667 30 20 BFED COc1cccc(O)c1/C=N\C1CC=CC1 759641259 CNEASORAYRXLQV-ZROIWOOFSA-N 217.268 2.538 30 20 BFED C=CCSCCNC(=O)C(F)=C1CCCC1 763027784 AWHPICGMMHBDOZ-UHFFFAOYSA-N 243.347 2.819 30 20 BFED C#CCN(CCc1ccccc1Cl)C1CC1 763951438 XGCLJMFEUDFKKF-UHFFFAOYSA-N 233.742 2.980 30 20 BFED COc1ccc(NN=C[C@H]2C[C@H]2C)c([N+](=O)[O-])c1 767803147 HVJRIHSOMJAILR-RKDXNWHRSA-N 249.270 2.657 30 20 BFED C#CCN1CCC(Cc2ccc(F)c(F)c2)CC1 769227510 FHAHZRNBFHFGQG-UHFFFAOYSA-N 249.304 2.853 30 20 BFED C=CCN(Cc1nnc(C(C)(C)C)o1)C1CC1 772382415 QSAGWHJPOSEIBD-UHFFFAOYSA-N 235.331 2.518 30 20 BFED C=C[C@H](C)NC(=O)Nc1ccc(COC)cc1 772558132 AMXLTXMXGGTIGK-JTQLQIEISA-N 234.299 2.529 30 20 BFED CC(C)(C#N)CCOC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 776369261 KSHXQVPZQPDSAO-SDDRHHMPSA-N 235.327 2.906 30 20 BFED CC(CCn1cccn1)=NNc1ccccc1 776757868 BJDMYIQZRUZVEQ-UHFFFAOYSA-N 228.299 2.761 30 20 BFED N#CCCCCOC(=O)[C@@H](F)Cc1ccccc1 778195487 FFDIAPHJLBMOPF-ZDUSSCGKSA-N 249.285 2.804 30 20 BFED Cn1cc(NN=Cc2cc(Cl)cs2)cn1 782286151 VTRSVOSYTOEHLB-UHFFFAOYSA-N 240.719 2.581 30 20 BFED CON=Cc1ccc2nc(C)ccc2c1 783514748 WDDZBLPAYDRBDM-UHFFFAOYSA-N 200.241 2.524 30 20 BFED C=C[C@H]1CCCCN1C[C@@H](O)c1ccccc1 785996172 BNLLHZZVOHYYMI-LSDHHAIUSA-N 231.339 2.761 30 20 BFED Cc1ccoc1C=NNC1CCCCC1 786040471 NLUIPOLBQQYXSN-UHFFFAOYSA-N 206.289 2.844 30 20 BFED C#CCN1C[C@H](c2ccc(C)cc2)C[C@H]1C 786124623 GKGAZPIWXDQYOS-UKRRQHHQSA-N 213.324 2.806 30 20 BFED CC(C)C=NNc1nnc(-c2ccccn2)s1 788023791 IFEQFXKCAGKBNU-UHFFFAOYSA-N 247.327 2.654 30 20 BFED C(=NOC[C@H]1CCOC1)c1cc2ccccc2[nH]1 788441248 PHTXRXIMSQSBJG-NSHDSACASA-N 244.294 2.555 30 20 BFED Cc1ccc(C2CC(=NN[C@@H]3CCOC3)C2)cc1 788455942 JCWKDWBOMDKIPZ-ARLHGKGLSA-N 244.338 2.607 30 20 BFED C=CC[C@H](C)NC(=S)Nc1ccsc1 790316155 ORAZCKSMYWSGLE-QMMMGPOBSA-N 226.370 2.999 30 20 BFED N#Cc1c(F)cccc1C(=O)OCC1=CCCC1 790826701 SGBBYIGJLOPRIP-UHFFFAOYSA-N 245.253 2.964 30 20 BFED C#C[C@H](CCC)NC(=O)N[C@@H](CC)CCC 791022912 PBNGQRYCOACACV-NEPJUHHUSA-N 224.348 2.666 30 20 BFED CCCCC(COC)=NNc1ncccc1F 794991209 WQTXIUDRNABYJA-UHFFFAOYSA-N 239.294 2.825 30 20 BFED C=CCNN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 794999520 IAVFEVWKMJFBNS-RHYQMDGZSA-N 204.317 2.574 30 20 BFED C#Cc1ccc(C=NNc2cccc(F)n2)cc1 795006992 WEYHBFBISITJGN-UHFFFAOYSA-N 239.253 2.648 30 20 BFED C#C[C@H](N[C@H](C)c1cc(C)c(C)o1)[C@@H]1CCCO1 800489801 DAMFNEZJVVIUKX-XBFCOCLRSA-N 247.338 2.728 30 20 BFED CC(C)C[C@H]1CCCN(CCO[C@H](C)C#N)C1 801926259 CGTIKYOLVYWIIF-ZIAGYGMSSA-N 238.375 2.673 30 20 BFED C(=NNCC1CCCC1)c1cccc2c1OCO2 808005931 MVWJXHBKFCPGDJ-UHFFFAOYSA-N 246.310 2.529 30 20 BFED CCc1ccc(C(=O)/C=C\c2cnccn2)s1 809154855 HBIIAPCQTMMTAR-HYXAFXHYSA-N 244.319 2.997 30 20 BFED C=C(C)CCc1noc(-c2cccnc2F)n1 809500442 LCSHRUZKVTZREH-UHFFFAOYSA-N 233.246 2.779 30 20 BFED C#Cc1ccc(CNCc2cncc(C)c2)cc1 809630355 UBCDWKOSADOQJJ-UHFFFAOYSA-N 236.318 2.661 30 20 BFED CC[C@H](C)NN=Cc1ccc2[nH]ccc2c1 811648503 LRNFIHMBFJLXGN-JTQLQIEISA-N 215.300 2.890 30 20 BFED C#C[C@H](C)N(C)C(=O)NCCC1CCCCC1 812003362 AQNYZWZEUVAMCY-LBPRGKRZSA-N 236.359 2.620 30 20 BFED CC(C)OCCON=C/C=C\c1ccco1 812237785 MCDUHGSTSPVXTA-PNTBJLPLSA-N 223.272 2.720 30 20 BFED C[C@H]1CCC(=NNC(=S)Nc2ccccn2)C1 814882005 AFJNEOZIPZLBJI-VIFPVBQESA-N 248.355 2.544 30 20 BFED C#CCCCCNc1c(C#N)cccc1[N+](=O)[O-] 819926085 QIMYZKGIVNRCRV-UHFFFAOYSA-N 243.266 2.682 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)O[C@H]1CCC(C)(C)C1 820718271 GAQZOIRPQGOAPG-TUAOUCFPSA-N 238.327 2.699 30 20 BFED C=CCCCC[C@H](C)NCCC1(C)OCCO1 824168497 SUOJTAOOUIVKJW-ZDUSSCGKSA-N 241.375 2.864 30 20 BFED C#C[C@@H](NCc1cc(COC)cs1)C(C)C 825878384 MDZRBFQTQJGVHI-CYBMUJFWSA-N 237.368 2.642 30 20 BFED C#CC(C)(C)NC(=O)C1[C@@H]2CCCCCC[C@@H]12 827634720 ZRBNQIFHKSIXKQ-VXGBXAGGSA-N 233.355 2.731 30 20 BFED C#C[C@H](CC)NC(=O)c1cccc(C(C)C)c1 834385646 JQDYNWWWNZWNHE-CQSZACIVSA-N 229.323 2.952 30 20 BFED C[C@@H](NN=C[C@H]1C[C@H]2CC[C@H]1C2)C(F)(F)F 834997691 ICMHRIXCOLMAEA-XFWSIPNHSA-N 234.265 2.949 30 20 BFED CC(C)ON=Cc1ncc(Br)s1 835000021 HHDJBIRNYALJBE-UHFFFAOYSA-N 249.133 2.665 30 20 BFED CC(C)ON=C1CCCc2cc(N)ccc21 835002462 OCQXBWJEICKZHB-UHFFFAOYSA-N 218.300 2.734 30 20 BFED Cc1ccc(C=NOC(C)C)cc1[N+](=O)[O-] 835004658 UNKVHCLLYIWQIL-UHFFFAOYSA-N 222.244 2.662 30 20 BFED C#CCNN=C1CCC[C@@H]1c1ccccc1 835008333 YFYPLXKWCXEIDH-CYBMUJFWSA-N 212.296 2.533 30 20 BFED CCC(=NN[C@H]1CCOC1(C)C)c1ccccc1 835014211 CPAVPSTZUMRXOP-AWEZNQCLSA-N 246.354 2.958 30 20 BFED Cc1[nH]c(C#N)cc1C(=O)OCCCC(C)C 835084882 SXEAAWBBBMJKLB-UHFFFAOYSA-N 234.299 2.788 30 20 BFED C#C[C@H](OC(=O)[C@@H]1CCC[C@@H]1CC)C1CC1 835250837 FRSCDFZUWDKJRB-UHTWSYAYSA-N 220.312 2.768 30 20 BFED C=CC(C)(C)C(=O)OC[C@H]1CCCSC1 835433353 AXIRMUWFYYXLJG-SNVBAGLBSA-N 228.357 2.885 30 20 BFED C#C[C@@H](NC(=O)N[C@@H](C)CC(C)(C)C)C(C)C 836442681 XOFCEGLQPHXZHA-NWDGAFQWSA-N 238.375 2.768 30 20 BFED C=C(C)CCNC(=O)c1cc(C=O)c(C)cc1C 836824499 GAIMBBYJXPMQAG-UHFFFAOYSA-N 245.322 2.812 30 20 BFED C=CCCCOC(=O)[C@]1(C#N)CC12CCCC2 837906310 QSFGKXTVTDWDTK-CQSZACIVSA-N 233.311 2.970 30 20 BFED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccco2)C1 839045241 YUUOBNNIVHCOKP-NXEZZACHSA-N 219.240 2.519 30 20 BFED C=CC(C)(C)C(=O)O[C@H]1CCC[C@H](C#N)C1 839062142 LAZSANRQMYWPOH-QWRGUYRKSA-N 221.300 2.824 30 20 BFED C[C@@H](C#N)Oc1ccc(CN[C@H]2CC2(C)C)cc1 840956322 OMPOKWHDRWNKFU-FZMZJTMJSA-N 244.338 2.866 30 20 BFED CCC[C@@H](C=NN(C)C[C@H](C)O)c1ccccc1 841652196 QRJBOWQIKDKJBP-ZFWWWQNUSA-N 248.370 2.869 30 20 BFED COC[C@H](C)NN=C(C)[C@H]1C[C@H]2C=C[C@H]1CC2 842530941 WELMDFSHCOYSLN-DOERSZECSA-N 236.359 2.589 30 20 BFED C=C[C@@H](C)ONC(=O)Nc1cc(C)ccc1C 844479315 LEKAMSNMFHEQOA-LLVKDONJSA-N 234.299 2.931 30 20 BFED CC[C@@H](C#N)N(C)C(=O)/C=C(/C)c1ccccc1 847169486 VSIYNCASNKAGKK-HCYCVZQXSA-N 242.322 2.850 30 20 BFED C#C[C@H](CC)OC(=O)/C(C)=C/c1ccco1 847684467 YRGCCMHUPPYMDO-PBQZMEPESA-N 218.252 2.638 30 20 BFED CCCCNc1nnc(-c2cccc(C#N)c2)o1 849156624 BSYLFHVOTZJRLT-UHFFFAOYSA-N 242.282 2.820 30 20 BFED Cc1cccc(C(=O)O[C@H](C)CC(C)(C)C#N)n1 851212904 MHZLFSOWRGVVFM-LLVKDONJSA-N 246.310 2.875 30 20 BFED C#CCOCCN[C@]1(c2ccccc2)CC1(C)C 852772809 PFALRHQTVRYMNX-INIZCTEOSA-N 243.350 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C=C(CC)COC(=O)C(C)(C)C1CCOCC1 796430873 MYWHXYCEXDUZPT-UHFFFAOYSA-N 240.343 2.949 30 20 BFED FC(F)CNN=C1CCC(C(F)F)CC1 799481253 ORTOMIYQWOKENP-UHFFFAOYSA-N 226.217 2.652 30 20 BFED CC1(C)CCC[C@H]1OC(=O)c1ccc(C#N)cn1 799487458 PNJKFFZHJSTKID-GFCCVEGCSA-N 244.294 2.689 30 20 BFED C#C[C@@H](C)NC(=O)N[C@H](c1cccs1)C1CC1 811998317 WBYQGGPJVBBLOS-SKDRFNHKSA-N 248.351 2.520 30 20 BFED C#C[C@H](CC)NC(=O)NC(C)(C)c1ccccc1 812023607 ZAUXLHYOBAKQJG-CYBMUJFWSA-N 244.338 2.633 30 20 BFED CC(C)OCCON=C[C@@H]1CC[C@H](C)C1 812237516 DXUICUZDEMGAOU-NWDGAFQWSA-N 213.321 2.850 30 20 BFED CC1CC(=NNc2oc(C(C)C)nc2C#N)C1 814821005 SOSRPOSWHYLBKH-UHFFFAOYSA-N 232.287 2.867 30 20 BFED CC(C)CCC=NNc1nccnc1Cl 814850161 AOOUFCXTNWYYAA-UHFFFAOYSA-N 226.711 2.964 30 20 BFED COCCON=C1CS[C@H](C(C)(C)C)C1 814865054 NVJSEWIXSRKYDH-JTQLQIEISA-N 231.361 2.557 30 20 BFED Clc1cncnc1NN=C1C[C@H]2CC[C@H]1C2 814909620 NTOSMYAEZXBKIP-YUMQZZPRSA-N 236.706 2.718 30 20 BFED C=CCNN=C(CC)c1ccc(F)cc1F 814927707 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BFED O=C(C#CC1CC1)N1CCCC2(CCCCC2)C1 837413187 NQZXFFWORJCMHJ-UHFFFAOYSA-N 245.366 2.973 30 20 BFED CCCCCC[C@@H](C)C(=O)N(C)[C@H](C)C#N 839367242 PNBRMBSGRHCESN-VXGBXAGGSA-N 224.348 2.963 30 20 BFED C=CCC(F)(F)C(=O)N1CC[C@@H](C2CCC2)C1 839948791 NXQRUDOEIHCNBB-LLVKDONJSA-N 243.297 2.846 30 20 BFED CC(C)(C)C#CC(=O)NC[C@H]1CCC[C@@H]1C1CC1 840492651 XBURZWTWMMZVNH-ZIAGYGMSSA-N 247.382 2.978 30 20 BFED Oc1ccccc1/C=N/CC[C@H]1C[C@H]2CC[C@H]1O2 840712451 YVRWVVZQVZVXAS-ZPDRJMIVSA-N 245.322 2.769 30 20 BFED N#CCOc1cccc(OC(=O)OCC2CC2)c1 841565703 BNADLVDAWLOSJF-UHFFFAOYSA-N 247.250 2.514 30 20 BFED CCC(=NNCCc1ccncc1)[C@H]1C[C@H]1C 841637300 RDQVDLKXDOHHGC-YPMHNXCESA-N 231.343 2.636 30 20 BFED CCC(=NOC[C@H]1CCOC1)[C@H]1CC1(C)C 841638603 SMHLQVGWUKBJDH-WDEREUQCSA-N 225.332 2.852 30 20 BFED COc1ccc(N[C@H]2CCO[C@H](C)C2)cc1C#N 846749111 DLYKMOSCZRGBFB-MFKMUULPSA-N 246.310 2.546 30 20 BFED COc1ccc(N[C@@H]2CCO[C@H](C)C2)cc1C#N 846749112 DLYKMOSCZRGBFB-ZWNOBZJWSA-N 246.310 2.546 30 20 BFED 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C=C(C)CN(CC)Cc1ccc2c(c1)OCCO2 53065581 OOTQICAVIPLXQW-UHFFFAOYSA-N 247.338 2.856 30 20 BFED CCCN(C)C(=O)N[C@H](C)c1ccc(C#N)cc1 60561676 PGHYIJXGEILOPW-LLVKDONJSA-N 245.326 2.671 30 20 BFED C#Cc1cccc(NC(=O)[C@H](C)CSC)c1 66757649 FVZPMRSRJBMXKZ-SNVBAGLBSA-N 233.336 2.606 30 20 BFED C[C@H]1C[C@@H](Nc2cccc(C#N)c2)CCO1 69857885 BBZBKSBMPRXXKS-GWCFXTLKSA-N 216.284 2.538 30 20 BFED CC(C)CCO/N=C/c1ccc([N+](=O)[O-])o1 85259477 ZWOSPBUISKWPJQ-YRNVUSSQSA-N 226.232 2.584 30 20 BFED C=CCCCN[C@H](C)c1c(C)noc1C 86110435 AFIPKCVKZCSWBT-SECBINFHSA-N 208.305 2.908 30 20 BFED CCN(CCC#N)C(=O)c1c(C)oc(C)c1C 87198967 JLXAPGSUQYDCDD-UHFFFAOYSA-N 234.299 2.581 30 20 BFED CCN(Cc1ccc(F)c(F)c1)C[C@H](C)C#N 98134301 PQRCYHAEKMQPPH-SNVBAGLBSA-N 238.281 2.946 30 20 BFED C=CC[C@H]1CN(Cc2ccccc2)CCC1=O 98178506 FVQPGEUORCBSDI-AWEZNQCLSA-N 229.323 2.654 30 20 BFED C[C@@H]1CCCN(c2ccc(F)cc2C#N)C1 110877742 YMBABHJBSYIVJG-SNVBAGLBSA-N 218.275 2.934 30 20 BFED C#CCOC(=O)[C@H](CC)Sc1ccccc1 111946108 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BFED N#Cc1ncn(CCCC2CCCC2)c1C#N 180422372 QBYBPTQLYUTECZ-UHFFFAOYSA-N 228.299 2.597 30 20 BFED C=C(C)CN(C)Cc1ccc(C)c([N+](=O)[O-])c1 181049025 WYUYVASFXSRWMC-UHFFFAOYSA-N 234.299 2.911 30 20 BFED N#Cc1ccccc1OCc1cncc(F)c1 185184873 IZKXJNSJMYQAIS-UHFFFAOYSA-N 228.226 2.671 30 20 BFED Cc1cc(NC(=O)CC#N)ccc1OC(C)C 187128605 UUPPRBAEDHQIII-UHFFFAOYSA-N 232.283 2.634 30 20 BFED C/C=C(\CC)C(=O)N(C)Cc1cccc(C#N)c1 189767920 CMXSHNBQIFMMCB-LNKIKWGQSA-N 242.322 2.873 30 20 BFED CC[C@@H](C)N(C)Cc1ccc(C#N)c(F)c1 192098841 ZQUJVMRCCYYZOO-SNVBAGLBSA-N 220.291 2.928 30 20 BFED C[Si](C)(C)COc1cccc(C#N)c1 199958576 OPNSNAJTCYYYDP-UHFFFAOYSA-N 205.333 2.814 30 20 BFED CC(C)[C@H](C)[S@](=O)Cc1ccc(C#N)cc1 223504035 XTNJWVFTEBWCFY-MEDUHNTESA-N 235.352 2.851 30 20 BFED CCCCCCCCC(=O)N1C[C@@H](N)[C@H](C)C1 232914675 QDOAUYITGSHXTA-CHWSQXEVSA-N 240.391 2.543 30 20 BFED C#C[C@H](CCC)NC(=O)Nc1cccc(C)c1 233356612 NOLMCLVICSZZLJ-GFCCVEGCSA-N 230.311 2.918 30 20 BFED C#C[C@H](CCC)NC(=O)c1ccc(C)c(C)c1 233358055 KDEHKYKJMVXQMG-CQSZACIVSA-N 229.323 2.835 30 20 BFED CC#CCCN(C)[C@@H]1C[C@](C)(OC)C1(C)C 248387607 BIADQAGMRXHFSK-OCCSQVGLSA-N 223.360 2.535 30 20 BFED CN(C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H](C#N)C2)C1 248989475 NBMBYIBWKYRVGL-APIJFGDWSA-N 249.402 2.531 30 20 BFED C[C@H]1[C@H](C)CCCN1CC1(CC#N)CC1 252133666 LETGEQWCTZCBEV-NEPJUHHUSA-N 206.333 2.801 30 20 BFED CCOC(=O)[C@]1(CC)O[C@@]12CC[C@H](CC)C2 252582188 UQNIVHONWBNLPY-UHTWSYAYSA-N 226.316 2.677 30 20 BFED C=C1CCN(c2nc3ccccc3o2)CC1 264451140 IEEKTQMALRHNTJ-UHFFFAOYSA-N 214.268 2.984 30 20 BFED C#CCCCN(C)Cc1ccc(OC)cc1OC 271000451 GARHTUVHRAKUOZ-UHFFFAOYSA-N 247.338 2.549 30 20 BFED C=CCN(C(=O)CCc1ccsc1)C1CC1 271560532 SAIDXFGOBGKVJH-UHFFFAOYSA-N 235.352 2.858 30 20 BFED C=CCCCCNC(=O)Nc1cnc(CC)nc1 274568999 AJRGFZWDJDOGCC-UHFFFAOYSA-N 248.330 2.517 30 20 BFED C#C[C@H](C)NC(=O)C(CC)(CC)c1ccccc1 274708917 YWDWLUATBHPZRZ-ZDUSSCGKSA-N 243.350 2.882 30 20 BFED N#C[C@@H]1CCC[C@H](NCc2ccccc2O)C1 278379141 CWUYWLVFSMHYBP-YPMHNXCESA-N 230.311 2.564 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccccn1 280956926 YIRACGQTAXNQLE-NFAWXSAZSA-N 246.354 2.713 30 20 BFED C=CC[C@H](CC)NC(=O)Nc1cccc(C)n1 281314676 KTEKRUHJENQHEA-NSHDSACASA-N 233.315 2.866 30 20 BFED C=CCN1CCC(N2CCc3ccccc32)CC1 282108349 PVLSWIVNXDANKW-UHFFFAOYSA-N 242.366 2.700 30 20 BFED CC[C@](C)(C#N)C(=O)Oc1cc(F)cc(F)c1 288687883 VGUJHVOSJNARHH-GFCCVEGCSA-N 239.221 2.810 30 20 BFED C=C[C@H](CO)NCc1ccc(Cl)c(Cl)c1 289924995 SPXAPWJUFKWEJH-SECBINFHSA-N 246.137 2.630 30 20 BFED C=CC[C@@H](C)NC(=O)c1c[nH]c(C(F)(F)F)c1 293631363 GLLIRFQNEPZNBQ-SSDOTTSWSA-N 246.232 2.728 30 20 BFED CC(C)C1(NC(=O)c2ccc(CC#N)cc2)CC1 293872237 HXMMRZGSEZZROC-UHFFFAOYSA-N 242.322 2.671 30 20 BFED C=CCC[C@H](NCCc1nccnc1C)C1CC1 295074155 SHWFWTGULYRDLW-HNNXBMFYSA-N 245.370 2.662 30 20 BFED N#CCCN[C@@H](C[C@H]1CCOC1)c1ccccc1 299169037 XZFLZBXEGDZVEO-HIFRSBDPSA-N 244.338 2.658 30 20 BFED CCN(CCCC#N)c1cccc(OC)c1 299251552 BSCHNVQNEMMXLG-UHFFFAOYSA-N 218.300 2.825 30 20 BFED CCC1(Nc2cc(C#N)nc(C)n2)CCCC1 308145421 ACFURLVDOMDGKR-UHFFFAOYSA-N 230.315 2.791 30 20 BFED CCc1nc(C#N)cc(N2CC(CC)(CC)C2)n1 308173976 ZGEGRTPKMRXUEZ-UHFFFAOYSA-N 244.342 2.537 30 20 BFED CC#CCCNc1ncc(Cl)c(C)c1C#N 309381721 SCEQHLYYLUWVPC-UHFFFAOYSA-N 233.702 2.740 30 20 BFED C[C@@H]1CCC[C@H](CNc2cc(C#N)ncn2)C1 310067371 BXQAHNCRXZXMLY-MNOVXSKESA-N 230.315 2.586 30 20 BFED C=CCC[C@@H](CO)Nc1nccc2occc12 320540839 QYUMEOAKUWJCNT-JTQLQIEISA-N 232.283 2.567 30 20 BFED C=CCC[C@@H](CO)N[C@@H](C)CCCCC 321132828 RXPMJTPHNTWWSQ-STQMWFEESA-N 213.365 2.872 30 20 BFED CCc1ocnc1/C(O)=N/C[C@@H]1CC[C@@H](C)C1 331071938 JECQBTZFFINABQ-NXEZZACHSA-N 236.315 2.978 30 20 BFED C[C@H]1C[C@@H](C)C[C@H](C(=O)N[C@@]2(C#N)CC2(C)C)C1 331913973 DKAFNQHISBRNLS-OXJKWZBOSA-N 248.370 2.867 30 20 BFED CC(C)C[C@@](C)(C#N)NC(=O)CC1CCC1 332038102 KYOCLESTFINPTA-ZDUSSCGKSA-N 222.332 2.621 30 20 BFED CN(CC#N)C(=O)C[C@@H]1CCCCC1(C)C 334252446 JFDWUHGHDDZWQX-NSHDSACASA-N 222.332 2.575 30 20 BFED 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2.566 30 20 BFED CC[C@H](CC(F)(F)F)NC(=O)C#CC(C)(C)C 837531981 QYWHYHZOFHVRCE-SECBINFHSA-N 249.276 2.883 30 20 BFED C=CCOCCCOC(=O)C1=CC[C@H](C)CC1 838347635 ADORULSKGBJGQB-LBPRGKRZSA-N 238.327 2.869 30 20 BFED C#CCC[C@H](C)OC(=O)/C=C/c1cnc(C)s1 839042206 ZPIRGBGJWBHUNY-JARNTUPDSA-N 249.335 2.810 30 20 BFED CC1(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)CCC1 839056680 UTGSTNLQJKJOKG-GHMZBOCLSA-N 221.300 2.802 30 20 BFED CC(C)[C@H]1CCCC(=NN(C)C[C@@H](C)O)C1 841649113 FCCGZSWMMNPZGE-NEPJUHHUSA-N 226.364 2.501 30 20 BFED C#CC1CCN(Cc2ccc(C)s2)CC1 843429355 ZEHYNOOPQJASDU-UHFFFAOYSA-N 219.353 2.902 30 20 BFED C[C@H]1CCCCCC1=NNC[C@@H](C)C#N 844588706 GCXVCTOANJUKHC-QWRGUYRKSA-N 207.321 2.692 30 20 BFED C[C@@H]1CCCCCC1=NNc1nccn1C 844592154 AYTNOGRAJCAYTJ-SNVBAGLBSA-N 220.320 2.788 30 20 BFED C=C[C@H](C)ON=C1CCC12CCOCC2 844626463 WCNMEBQUTXBGMO-JTQLQIEISA-N 209.289 2.524 30 20 BFED C=C[C@H](C)ONC(=O)c1ccc(C)cc1C 846542028 SBAINSQIZMDLDL-NSHDSACASA-N 219.284 2.539 30 20 BFED C=CCOCC(=O)O[C@@H]1CCCC[C@H]1CC=C 851141514 AYMRFHGMVFZZFT-CHWSQXEVSA-N 238.327 2.867 30 20 BFED CO[C@H](C=NOC1CCCCC1)C1CC1 853335347 QPLWIMGZADYDRL-GFCCVEGCSA-N 211.305 2.747 30 20 BFED CC(=NN1CCCC[C@H]1C)c1cc(O)cc(O)c1 853379699 LVGKODGLGRWJRQ-SNVBAGLBSA-N 248.326 2.696 30 20 BFED C#Cc1cccnc1N1CCCC[C@H](SC)C1 853453596 XBHGOMUYBOOFQV-ZDUSSCGKSA-N 246.379 2.785 30 20 BFED C=CCN(C(=O)[C@@H](F)C(F)(F)F)C(C)(C)C 857651105 RWCDWNCOOBOWAH-SSDOTTSWSA-N 241.228 2.700 30 20 BFED C=CCC[C@@H](C)OC(=O)[C@H](OCC)C1CC1 859866508 XQYOYOMNIBRQOP-ZYHUDNBSSA-N 226.316 2.699 30 20 BFED CCCCCCCNC(=O)c1coc(C)n1 862357122 NIKUAUOYVUAKFJ-UHFFFAOYSA-N 224.304 2.683 30 20 BFED C=C[C@H](C)ON=C(C)c1nc(C)cs1 863123774 LCLKVJQMJHKZJR-QMMMGPOBSA-N 210.302 2.767 30 20 BFED CC(C)CC=Nn1cnc2ccccc21 863967804 XRNMVBABJVOAIZ-UHFFFAOYSA-N 201.273 2.916 30 20 BFED N#Cc1nc(F)ccc1OCCCC1CC1 865367931 KHDCYINSEQBOLH-UHFFFAOYSA-N 220.247 2.661 30 20 BFED CCc1ccc(F)cc1C(=O)OC1(C#N)CCC1 870232737 VFMALTKTSNJUOB-UHFFFAOYSA-N 247.269 2.991 30 20 BFED Cc1ccc(C2CC(=NN3CCC3)C2)cc1 872396835 NYRLFPJBSWLKGR-UHFFFAOYSA-N 214.312 2.934 30 20 BFED CC(C)(C)SCCNCc1cccc(C#N)n1 877016561 HOXHZMWDLSQIDP-UHFFFAOYSA-N 249.383 2.575 30 20 BFED C#CCCCCCCN[C@@](C)(CO)CCC 877034831 BEBXANVFVDHWPZ-CQSZACIVSA-N 225.376 2.711 30 20 BFED C=CC(C)(C)CC(=O)NC[C@@H]1CCC[C@H]1OC 879384413 KBBQJPNRTGSNCS-NWDGAFQWSA-N 239.359 2.520 30 20 BFED C#CCCCCNC(=O)Nc1ccsc1C 880404211 IPEPTZJGZBVGRE-UHFFFAOYSA-N 236.340 2.982 30 20 BFED C=C/C=C\CCNC(=O)N1CCC(C=C)CC1 883827408 YICBTBYQUMMFLV-WAYWQWQTSA-N 234.343 2.726 30 20 BFED C#CCSCC(=O)NC1CCCCCCC1 887614440 RBRJQPAHJMPMPV-UHFFFAOYSA-N 239.384 2.582 30 20 BFED C=CC1(OC(=O)c2cccc(F)c2F)CC1 893364776 ACDMYLABZUERDC-UHFFFAOYSA-N 224.206 2.840 30 20 BFED C=CC1(OC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 893364813 BCQQFQMUGJQJLM-UHFFFAOYSA-N 247.250 2.779 30 20 BFED CC[C@H]1CCC[C@H]1C(=O)Nc1ncc(C#N)s1 896492897 JYLMPXHULVYIHZ-WCBMZHEXSA-N 249.339 2.780 30 20 BFED C#Cc1ccc(N[C@@H]2C[C@@H](C)O[C@H]2C)cc1 898497709 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248.370 2.965 30 20 BFED Cc1ccccc1[C@H](C)C(=O)N(C)[C@@H](C)CC#N 931940316 CGHZUSTUIDLSJG-STQMWFEESA-N 244.338 2.859 30 20 BFED N#CCC1(CN[C@@H](c2ccncc2)C2CC2)CC1 934701205 MLEITALCFOAUME-CQSZACIVSA-N 241.338 2.816 30 20 BFED C=C(C)CCC(=O)N1CC(c2ccccc2)C1 1120767898 PBNUIWRLHFSCQM-UHFFFAOYSA-N 229.323 2.969 30 20 BFED Cc1nc([C@H](C)NC2CCC(C)(C#N)CC2)no1 1206063554 OUULSHRCWGEVIH-FJJSSXBZSA-N 248.330 2.501 30 20 BFED C=CCCNc1ccc2c(c1)CN(C(C)=O)C2 1252649003 HBMXDGVZPTXECP-UHFFFAOYSA-N 230.311 2.537 30 20 BFED N#CCCCc1nnc(-c2ccccc2)o1 1253081736 UYTXZQQPGKTJKJ-UHFFFAOYSA-N 213.240 2.583 30 20 BFED C/C=C(/C)C(=O)O[C@@H](CC#N)c1ccco1 1263660706 NMSFAVSWXDEMDP-QSADENFPSA-N 219.240 2.744 30 20 BFED C=C[C@H](C)NC[C@H](O)c1ccc(Cl)c(F)c1 1335969596 XCQDMTRJOPZBIG-UFBFGSQYSA-N 243.709 2.677 30 20 BFED C=CCOc1cccc(NC(=O)[C@H]2C[C@@H]2F)c1 1336856361 WUCFQNMQFWWVGH-RYUDHWBXSA-N 235.258 2.548 30 20 BFED C=C(C)CCC(=O)OCC(F)(F)C(F)F 1342983526 NOKNQSOWEWJYLZ-UHFFFAOYSA-N 228.185 2.786 30 20 BFED C=C(CC)C(=O)N[C@@H]1CCc2cc(F)ccc21 1345666138 VRVNEEHQMJSLSN-CYBMUJFWSA-N 233.286 2.895 30 20 BFED C=CCC1(C(=O)N(CC)OC)CCCC1 1348366018 CHEMNLFYUPEIFI-UHFFFAOYSA-N 211.305 2.533 30 20 BFED Cc1cc(SCCn2ccnc2)ccc1C#N 1473049226 QPVKHOJXKXIGJB-UHFFFAOYSA-N 243.335 2.856 30 20 BFED Cc1ccnc(SCc2cc(C#N)ccn2)c1 1473086813 YVFDFLXNTIYYKA-UHFFFAOYSA-N 241.319 2.949 30 20 BFED C=C(CC)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 1528509109 IJFYCYNBCTUWNV-ZIAGYGMSSA-N 229.323 2.873 30 20 BFED CC[C@@H](NC(=O)[C@@H](C)C#N)c1ccc(F)cc1 1597224683 BCXXOVMDUBYXDL-JOYOIKCWSA-N 234.274 2.553 30 20 BFED C=C[C@H](NCCc1ccc(C(C)C)cc1)C(=O)O 1602818675 CYFJMDDJLVXYSR-AWEZNQCLSA-N 247.338 2.581 30 20 BFED CSCC(C)=NNc1ccccc1C(=O)O 1776032303 YDTWOVNBDOGSCU-UHFFFAOYSA-N 238.312 2.536 30 20 BFED C=C(C)CCCN1CC[C@@H](CCC(=O)O)C1 1776138815 USHQQIMEIHZTER-GFCCVEGCSA-N 225.332 2.529 30 20 BFED C#C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 34997202 USSNUFCXINKUCH-GFCCVEGCSA-N 231.295 2.886 30 20 BFED Cc1ccccc1C(=O)NC1(C#N)CCCCC1 40216400 KGTDXUUSHDDHQK-UHFFFAOYSA-N 242.322 2.951 30 20 BFED CCC(C#N)(CC)C(=O)N(C)Cc1ccoc1C 44766226 SJLPYVUPSWXCDQ-UHFFFAOYSA-N 248.326 2.876 30 20 BFED COc1ccc2cc(CN(C)CC#N)ccc2c1 52662678 BAWMGYITSJLENH-UHFFFAOYSA-N 240.306 2.804 30 20 BFED C[C@@H](Cc1ccco1)Nc1ccnc(C#N)c1 61811845 ACEJLADRJWUJLD-JTQLQIEISA-N 227.267 2.589 30 20 BFED C[C@H](C#N)CN[C@H](C)Cc1ccc(F)cc1 62052640 CRWKCZQRWXHLAJ-GHMZBOCLSA-N 220.291 2.506 30 20 BFED C=CCNC(=O)Nc1cccc(N(C)C(C)C)c1 69347736 UZAVFNZJMZPUCJ-UHFFFAOYSA-N 247.342 2.839 30 20 BFED C#CC(C)(C)Nc1ccc(C(=O)O)cc1C 70534227 CMSJJGMUOBQMEM-UHFFFAOYSA-N 217.268 2.517 30 20 BFED CCCC[C@H](CC)CNC(=O)C(C)(C)C#N 77896170 GYWRWGFDXPSODR-NSHDSACASA-N 224.348 2.869 30 20 BFED CCC[C@H]1C[C@@H]1C(=O)Nc1ccc(C#N)cc1 79347506 ISXFYWARWNPWSP-AAEUAGOBSA-N 228.295 2.933 30 20 BFED CC(C)CC/C(O)=N/S(=O)(=O)C1CCCC1 86056463 NNJZJCAIYJINSM-UHFFFAOYSA-N 247.360 2.652 30 20 BFED CC[C@H](CC#N)NC(=O)c1cccc2cc[nH]c12 88733348 JRVBJAPTPQESBV-LLVKDONJSA-N 241.294 2.590 30 20 BFED C=CCCOCCN[C@H](C)c1ccc(OC)cc1 90883999 OOZSDNQCEOCAAT-CYBMUJFWSA-N 249.354 2.939 30 20 BFED C=CCN(C(=O)[C@H]1CCO[C@H]1C)c1ccccc1 92305128 WTFYUHNNFMGSGM-JSGCOSHPSA-N 245.322 2.631 30 20 BFED C=CCOc1ccccc1CNC(=O)CCC 110425316 LVYNELMIHBVZQJ-UHFFFAOYSA-N 233.311 2.668 30 20 BFED C=CCN(Cc1cccc(O)c1)CC1CC1 112978841 MONBVFRAFBIYDR-UHFFFAOYSA-N 217.312 2.790 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccc(OC(C)C)nc1 116859235 XPQPDXNBXDXKJI-LLVKDONJSA-N 248.326 2.563 30 20 BFED C=CC[C@@H](C)NCc1ccc2c(c1)CCO2 116926380 QOGWVINKIUKEMI-LLVKDONJSA-N 217.312 2.676 30 20 BFED Cc1cc(C2=CCNCC2)cc(C)c1C#N 118231535 WCYKLWWTTYXZDF-UHFFFAOYSA-N 212.296 2.552 30 20 BFED C=CC[C@H](C)NC(=O)[C@@H](C)c1ccsc1 119126714 HNTNXZPADMBSRX-UWVGGRQHSA-N 223.341 2.932 30 20 BFED C=C(C)CNC(=O)Nc1cc(F)cc(F)c1 122411733 FCTABFRBMCLVFG-UHFFFAOYSA-N 226.226 2.662 30 20 BFED C=C(Cl)CNC(=O)c1cc(C)ccc1F 124610508 NFMHBMQFSDCKIK-UHFFFAOYSA-N 227.666 2.616 30 20 BFED C[C@@H](NCC1=CCCOC1)c1ccc(C#N)cc1 126361097 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C=CCNC(=O)N[C@H]1CC(C)(C)c2ccccc21 119538650 KKDDNVMIKKWSBA-ZDUSSCGKSA-N 244.338 2.894 30 20 BFED C#CCCCCC(=O)Nc1ccc(C)nc1C 119989004 HDHMEGLTXLMXNK-UHFFFAOYSA-N 230.311 2.831 30 20 BFED CC#CCNC(=O)C1(CC(C)C)CCCC1 121195380 HVOFVGVOEGENLD-UHFFFAOYSA-N 221.344 2.732 30 20 BFED CCc1ccc(/C=C/C(=O)N(CC)CCC#N)o1 122959288 HYKHYVBWUWXLJB-CMDGGOBGSA-N 246.310 2.617 30 20 BFED C=C(C)CNC(=O)COc1c(C)cc(C)cc1C 123057229 KFPYLAFLDGEGST-UHFFFAOYSA-N 247.338 2.683 30 20 BFED CC1(CC(=O)NC2(C#N)CCC2)CCCCC1 125371290 UFVWFHDGIIFEHX-UHFFFAOYSA-N 234.343 2.909 30 20 BFED C=C(C)COCCNC(=O)c1cccc(C)c1C 126002847 QVXIEHTVZNPWFF-UHFFFAOYSA-N 247.338 2.626 30 20 BFED C[C@H](C1CC1)N(C)CC#Cc1ccc(F)cc1 127513123 KMPNZGRWGVDZLJ-GFCCVEGCSA-N 231.314 2.908 30 20 BFED C#CCCCCN[C@H](C)c1cccnc1 130739302 PWLVSYHFFIMAEF-GFCCVEGCSA-N 202.301 2.536 30 20 BFED C#CCOc1ccc([C@@H](C)NCC2CC2)cc1 131124418 KWQAAJPFMNCCAX-GFCCVEGCSA-N 229.323 2.759 30 20 BFED C=CC[C@@H](C)NC(=O)c1cccc2[nH]ccc12 135579744 BKXZECGWLFPILT-SNVBAGLBSA-N 228.295 2.862 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccn(C2CCCC2)n1 155256365 FXZGVJWIEVVBHD-LLVKDONJSA-N 247.342 2.693 30 20 BFED C#Cc1cccc(NC(=O)C[C@H](C)SC)c1 156631510 NNIZQKSZZDAKLC-JTQLQIEISA-N 233.336 2.748 30 20 BFED C=C[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 157279136 UMXXTFDZALFXJY-NXEZZACHSA-N 220.272 2.820 30 20 BFED CNc1ccccc1SC[C@@H](C)C#N 157819967 LBFVCMKZQKGZEE-VIFPVBQESA-N 206.314 2.980 30 20 BFED Cc1nnc(CSc2ccccc2C#N)o1 172682505 RJSZQBIWXQYFAQ-UHFFFAOYSA-N 231.280 2.542 30 20 BFED C=CCOCCCC(=O)Oc1ccc(F)cc1 173140269 FEKXHTKKLZWOHZ-UHFFFAOYSA-N 238.258 2.714 30 20 BFED C[C@H](N[C@@H]1CCCOCC1)c1cccc(C#N)c1 181429116 PVACLULLPIPVHI-SWLSCSKDSA-N 244.338 2.778 30 20 BFED C[C@H](OC(=O)C(C)(C)C#N)c1ccccc1F 182045926 FIXXVTUYXRBKCO-VIFPVBQESA-N 235.258 2.980 30 20 BFED C=CCCC[C@@H](C)NC(=O)COc1ccccc1 182607440 ODYGLTOCEYKWTK-CYBMUJFWSA-N 247.338 2.926 30 20 BFED COc1cccc2c1CCN(CCCCC#N)C2 182681748 CGTNJIKBZIDYLI-UHFFFAOYSA-N 244.338 2.747 30 20 BFED CCS[C@@H](C(=O)N[C@@H](CC)CC#N)C(C)C 183796550 SJMLFIGKSQSYAI-WDEREUQCSA-N 242.388 2.573 30 20 BFED CC#CCCCCOC(=O)c1cc(C2CC2)[nH]n1 183944022 FGWWCNUBCWIMAR-UHFFFAOYSA-N 246.310 2.638 30 20 BFED CC[C@@H](CC#N)Nc1cnc2ccccc2n1 184153481 HINOSLWSHWSJRK-JTQLQIEISA-N 226.283 2.734 30 20 BFED C[C@H]1CN([C@@H](C)c2cccc(C#N)c2)C[C@@H](C)O1 187717469 MMVZKUQWJMZVSM-XQQFMLRXSA-N 244.338 2.728 30 20 BFED CC(C)C(CNCc1cc(C#N)n(C)c1)C(C)C 189599191 SQXLHGQQTAXGQP-UHFFFAOYSA-N 247.386 2.915 30 20 BFED N#CC1(NC(=O)c2ccc(C3CCC3)cc2)CC1 191835101 MQHGMCOVOZCRKF-UHFFFAOYSA-N 240.306 2.740 30 20 BFED C#CCCCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 192078743 USRSSVANMXTIPJ-KBPBESRZSA-N 233.355 2.971 30 20 BFED C#CCN(C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C 192229247 BSMQCDBOIVOVHJ-NSHDSACASA-N 232.283 2.529 30 20 BFED C[C@H](CCC#N)Sc1nccn2ccnc12 193589382 OSUNOTNHLSKIHU-SECBINFHSA-N 232.312 2.514 30 20 BFED C[C@H]1CCCN([C@@H](C#N)c2ccccc2)C1 201564844 GRFWXKZUVVSXRF-JSGCOSHPSA-N 214.312 2.983 30 20 BFED Cc1cc(C#N)ccc1NCC1CCOCC1 203471135 MOBBDXPLJBYGKX-UHFFFAOYSA-N 230.311 2.705 30 20 BFED C#CCNC(=O)/C=C\c1ccc(C(C)(C)C)cc1 209130226 RCOZTSRCIGTCTA-FLIBITNWSA-N 241.334 2.747 30 20 BFED N#Cc1cc(F)cc(OCC2CCOCC2)c1 227635742 FLBKFRBWKZFMKR-UHFFFAOYSA-N 235.258 2.503 30 20 BFED CC[C@H](C#N)C(=O)NCC1(C)CCCCC1 233997675 GHYFQLDZUCKSKT-LLVKDONJSA-N 222.332 2.623 30 20 BFED C=C(C)COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 255953347 PDKXWEAMTCOHJX-SRVKXCTJSA-N 208.301 2.932 30 20 BFED C[C@H](NC(=O)[C@@H](C)C1CC1)c1ccc(C#N)cc1 267038920 HMEYWYVQJNKGDQ-QWRGUYRKSA-N 242.322 2.782 30 20 BFED C=C1CCN(Cc2ccc3cn[nH]c3c2)CC1 271183908 YMNVXLKNUBGLIK-UHFFFAOYSA-N 227.311 2.715 30 20 BFED CC#CCCOc1c(C)ccnc1Cl 274044716 DXFCISZASOYNBY-UHFFFAOYSA-N 209.676 2.836 30 20 BFED C=CCCCCNc1ncc([N+](=O)[O-])cc1C#N 274480245 OBRWBVTXORYJFS-UHFFFAOYSA-N 246.270 2.630 30 20 BFED C[C@H](NCCC#N)[C@@H](C)c1ccccc1 278733057 REMWEMNSYOZGAS-NEPJUHHUSA-N 202.301 2.682 30 20 BFED CC#CC(=O)Nc1ccc(OCCC)cc1C 278966011 XCLYRGOCNFHEMT-UHFFFAOYSA-N 231.295 2.746 30 20 BFED CC1=CCCN(CCOc2ccccc2C#N)C1 280930873 VCARCDFVSZEOQG-UHFFFAOYSA-N 242.322 2.589 30 20 BFED C#CCN(CC#N)C(=O)[C@@](C)(CC)CCCCC 281581205 SJTYTXSWDVSXPZ-HNNXBMFYSA-N 248.370 2.968 30 20 BFED C=CCn1c(C2CC2)nnc1N(C)CC(C)(C)C 283588388 SSQAKWDYPUBOEA-UHFFFAOYSA-N 248.374 2.824 30 20 BFED CC(C)C[C@H]1CCN(c2cc(C#N)ccn2)C1 288246897 FYNVDNAEMBDMJK-CYBMUJFWSA-N 229.327 2.826 30 20 BFED C[C@@H](CF)Nc1nc(C(F)(F)F)ccc1C#N 288249024 OVBCDAJNXYKJNI-LURJTMIESA-N 247.195 2.742 30 20 BFED C#Cc1ccccc1CC(=O)N(CC)CCCC 289489372 JHWFFYAOWFRQKU-UHFFFAOYSA-N 243.350 2.859 30 20 BFED C=CC(C)(C)C(=O)NCC(C)(C)c1ccccn1 295579121 VPPKGHAHIQFGDY-UHFFFAOYSA-N 246.354 2.688 30 20 BFED COCCN(CCC#N)C[C@H](C)CC(C)C 304175232 NEENPLCYNAJFHR-CYBMUJFWSA-N 226.364 2.531 30 20 BFED C=CCC(C)(C)C(=O)NCC(=C)Br 308294016 PYGXCTJYQDBSTA-UHFFFAOYSA-N 246.148 2.614 30 20 BFED N#C[C@H]1CCCN(CCC2CCCC2)C1 308777244 ILTJIYLKLOYEIO-CYBMUJFWSA-N 206.333 2.802 30 20 BFED CC(C)(C)CCCn1cc(C#N)ccc1=O 309283806 IHDTWXUQTGUCRN-UHFFFAOYSA-N 218.300 2.546 30 20 BFED C#CCCCN[C@@H](c1ccccn1)C(C)C 309362271 OXQKICNEITYZCG-CQSZACIVSA-N 216.328 2.782 30 20 BFED Cc1cc(N[C@H]2CCCSC2)cc(C#N)n1 309854073 JSNLSNOUIHBPMU-JTQLQIEISA-N 233.340 2.569 30 20 BFED CC[C@@H](C#N)Nc1cccc2c1ccn2C 309991560 BFZWWKOFGOGYGS-JTQLQIEISA-N 213.284 2.892 30 20 BFED C=C(C)CN(CC)C(=O)c1cc(O)ccc1C 310107405 DECUHIVMYOPJBW-UHFFFAOYSA-N 233.311 2.739 30 20 BFED C=CCC[C@H](CO)N[C@@H]1CCC[C@H](C2CC2)C1 320455989 YOSMIPQCRKEREP-RRFJBIMHSA-N 237.387 2.872 30 20 BFED CC[C@H](C)[C@@](C)(O)C/N=C(/O)c1coc(C)c1 331278389 JVJCVFLGPQNUDC-ZANVPECISA-N 239.315 2.690 30 20 BFED CC[C@@H]1C[C@H]1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 331972290 NKUSKXBYUUIQRP-BYNQJWBRSA-N 234.343 2.621 30 20 BFED C[C@@H]1CC[C@]2(CCN(C(=O)CC(C)(C)C#N)C2)C1 334216247 GAYIAMRQTZBLQI-DOMZBBRYSA-N 248.370 2.965 30 20 BFED CC[C@@](C)(C#N)C(=O)NC1CCC(F)(F)CC1 334539125 RNAOOLRRQBJASQ-NSHDSACASA-N 244.285 2.620 30 20 BFED CC(C)(C#N)CN[C@H]1CCCC12CCC2 334755701 GIRSJLOKNYYTSV-NSHDSACASA-N 206.333 2.849 30 20 BFED CC[C@](C)(C#N)C(=O)N1CC[C@H](C2CCCC2)C1 335035161 XZYLGEZVVPVSGG-DZGCQCFKSA-N 248.370 2.965 30 20 BFED C[C@H]1CCC[C@H](C)N(C(=O)CCCC#N)C1 335220122 DDVVKZHOFFTFNS-RYUDHWBXSA-N 222.332 2.717 30 20 BFED CC(C)(C)[C@@H](C#N)NC(=O)C1(C#N)CCCCC1 335351641 QFMVQBWBIHHWHH-LLVKDONJSA-N 247.342 2.515 30 20 BFED CC1=C(C)C[C@@H](C(=O)N[C@@H](C#N)C(C)C)CC1 335420566 YNKJMUSOTLYOMZ-STQMWFEESA-N 234.343 2.787 30 20 BFED Cc1ccc(C#N)cc1NC(=O)C[C@H]1C[C@H]1C 336002511 HNLJZLFIWMGZJD-ZYHUDNBSSA-N 228.295 2.851 30 20 BFED C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc2c(c1)CCC2 336231535 RMTSSVKDMSALFO-BMIGLBTASA-N 240.306 2.664 30 20 BFED C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccccc1Cl 336233668 SCACRTITVMIPMR-UFBFGSQYSA-N 234.686 2.828 30 20 BFED CCc1cccc(NC(=O)[C@@]2(C#N)C[C@H]2C)c1 336235836 OMOBVSFBBAAXEQ-QMTHXVAHSA-N 228.295 2.737 30 20 BFED C=CC(C)(C)CNC(=O)N1C[C@H](C)C[C@@H]1C 336287831 KMUGNYBBRNXPJT-MNOVXSKESA-N 224.348 2.639 30 20 BFED C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC[C@H]1F 340835042 WZVSOLYNVXCAGD-HBNTYKKESA-N 213.296 2.596 30 20 BFED C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCCS1 344024213 YWCQZBPTHCABHU-YPMHNXCESA-N 241.400 2.991 30 20 BFED CC(C)(C)CN(CCC#N)C(=O)CC(C)(F)F 345907125 PEXGIXIACUVXEJ-UHFFFAOYSA-N 246.301 2.820 30 20 BFED C=C[C@](C)(CC)C(=O)N(C)CC(C)(C)C#N 353211680 IRUQOMFHTQUOJM-CYBMUJFWSA-N 222.332 2.597 30 20 BFED C=CCN(C(=O)C[C@H](OCC)C(=C)C)C1CC1 357494031 OJRMDQBGKBYORD-ZDUSSCGKSA-N 237.343 2.535 30 20 BFED C[C@H]1[C@H](C)CCN1c1ccc(C#N)c([N+](=O)[O-])c1 357519365 XDDLWMDLAIMJQO-ZJUUUORDSA-N 245.282 2.701 30 20 BFED C[C@@H]1C[C@H]1CC(=O)N[C@H](C#N)c1ccc(F)cc1 362548868 YRABUSKAOHOHAB-SUZMYJTESA-N 246.285 2.553 30 20 BFED C=CCC(C)(C)CN[C@H](CCCC)C(=O)O 381844467 VMBJPWYHWMSBKR-LLVKDONJSA-N 227.348 2.822 30 20 BFED C=CC(C)(C)CNCc1ccc(C(=O)OC)cc1 385080019 YKSLIBMAQACCAH-UHFFFAOYSA-N 247.338 2.775 30 20 BFED C=CCCCNCc1nc(C)c(C)s1 388789015 JOBPOTMLLBUJCL-UHFFFAOYSA-N 210.346 2.816 30 20 BFED 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249.379 2.919 30 20 BFED C=CC[C@H](C)NC(=O)[C@@H]1CCOc2ccccc21 116858706 MAPOQJDEGLUOQM-WCQYABFASA-N 245.322 2.634 30 20 BFED C=CC[C@@H](C)NC(=O)COc1ccccc1CC 116862203 LHYLWWBWNIZYOK-GFCCVEGCSA-N 247.338 2.709 30 20 BFED C#CCCCCC(=O)N[C@H](C)c1c(C)noc1C 119850484 NMAIFVUCPPUKFM-SNVBAGLBSA-N 248.326 2.662 30 20 BFED C=CCCO[C@H](C)C(=O)OCCc1ccccc1 120203387 JXMSVOGYHJOCQE-CYBMUJFWSA-N 248.322 2.754 30 20 BFED CC#CCNC(=O)C[C@H](C)c1ccc(CC)cc1 121601716 ZBOJBHZESCXWGA-ZDUSSCGKSA-N 243.350 2.882 30 20 BFED CC[C@H](c1ccc(F)cc1)N(C)CC#N 123039191 LJLKEGMSANUZBO-GFCCVEGCSA-N 206.264 2.732 30 20 BFED C#C[C@@H](C)NCc1ccc(F)cc1C(F)(F)F 123153667 PPZNVEFOBLKAOV-MRVPVSSYSA-N 245.219 2.956 30 20 BFED C=C(C)COCCNCc1ccc(C)c(F)c1 125766193 BBIGGLFLWDGPPE-UHFFFAOYSA-N 237.318 2.816 30 20 BFED C=CCCOCCN[C@@H](C)c1ccccc1 126350341 RQHBBJJKQHFZGH-ZDUSSCGKSA-N 219.328 2.930 30 20 BFED COc1cccc(CNc2cccnc2C#N)c1 129894442 WRHXIQCQGPQOFS-UHFFFAOYSA-N 239.278 2.574 30 20 BFED C=CCCOC(=O)C1(c2ccccc2F)CC1 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244.313 2.785 30 20 BFED C=CCOc1ccccc1C(=O)N1CCC[C@@H]1C 173167544 NYNSQUJZFTZJRX-LBPRGKRZSA-N 245.322 2.876 30 20 BFED C=CCCCC(=O)Nc1cc(C(C)C)n[nH]1 175438238 GDCGRWPIJVRTAG-UHFFFAOYSA-N 221.304 2.828 30 20 BFED C[C@@H](C#N)CNC(=O)C/C=C/c1ccccc1F 176408853 WJVPJSYEDVBRRD-MALLOTDXSA-N 246.285 2.505 30 20 BFED C[C@@H](OC(=O)c1cc(C#N)cs1)C(C)(C)C#N 178813907 XULJVLOILJVCDQ-MRVPVSSYSA-N 248.307 2.715 30 20 BFED CC#CCNc1ccc(F)cc1OCC 182302876 ZCNZPEDWIMAEOT-UHFFFAOYSA-N 207.248 2.660 30 20 BFED CC[C@H](C)[C@H](C)NCCCSCC#N 183049763 WTHPSRSFOAQWFZ-QWRGUYRKSA-N 214.378 2.657 30 20 BFED CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@](C)(C#N)C(C)C 185802480 XMNWMKHIMHGLOU-XBFCOCLRSA-N 236.359 2.723 30 20 BFED C#CCCCOC(=O)C[C@@H]1C=CCCC1 187834727 QFRCBHRERKUSQA-GFCCVEGCSA-N 206.285 2.689 30 20 BFED C=C[C@](C)(CCOC)C(=O)N(C)C[C@@H](C)CC 188689840 LDRUSUMFBBGCQG-GXTWGEPZSA-N 241.375 2.720 30 20 BFED CCc1ccccc1CC(=O)N[C@H](CC)CC#N 188801479 ONUYSUBYGSFMSC-CQSZACIVSA-N 244.338 2.600 30 20 BFED 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CC(C)(C)OCCCON=C1CCCOCC1 778600663 LQFUBLDJWSPKGD-UHFFFAOYSA-N 243.347 2.765 30 20 BFED C=C(C)CNC(=O)c1ccc(F)c(C(=O)CC)c1 779129946 JFZWIJVWZOIICH-UHFFFAOYSA-N 249.285 2.724 30 20 BFED C1COC[C@@H](NN=C2CCC[C@@H](C3CC3)C2)C1 780262578 OXHXECXMKQORID-OCCSQVGLSA-N 236.359 2.711 30 20 BFED CC[C@H](C#N)OC(=O)c1c(O)cccc1Cl 781168407 IDXVDESEFZJDCH-SSDOTTSWSA-N 239.658 2.505 30 20 BFED C=C[C@@H]1CCCCN1C(=O)/C=C/CCC 787682130 VVHJRFJFZGOKHT-GCZGVDRJSA-N 207.317 2.910 30 20 BFED CCC(=NNc1ccc(OC)cc1)c1cn[nH]c1 789034503 QTHGZOPXMYXAFW-UHFFFAOYSA-N 244.298 2.645 30 20 BFED Cc1ccc(C(=O)O[C@@H](C)C#N)c(F)c1Cl 789068255 XWLPJAGLCUDKAX-ZETCQYMHSA-N 241.649 2.856 30 20 BFED CC[C@H](C)NN=C(C)c1ccc(F)cc1O 790182086 IMRJLENRSVVIKE-QMMMGPOBSA-N 224.279 2.643 30 20 BFED CC#CCCCC(=O)OCC1=CCCC1 790825079 VHKASCTUIGZCFO-UHFFFAOYSA-N 206.285 2.834 30 20 BFED C=CCC[C@H](C(=O)OC[C@@H](C)O)c1ccccc1 792159292 WSSRVYRHVZVGAM-OCCSQVGLSA-N 248.322 2.660 30 20 BFED CCO[C@H]1CCCC1=NN[C@H](C)C(C)(C)C 793116065 WDNPOQPVXAILGK-PWSUYJOCSA-N 226.364 2.956 30 20 BFED CC(=NNc1ncncc1F)c1ccccc1F 793214502 MPNMTXCEFRWRFJ-UHFFFAOYSA-N 248.236 2.591 30 20 BFED C[C@@H]1CSCC1=NNc1ncccc1Cl 794897193 QGYMMGONTQNMNY-SSDOTTSWSA-N 241.747 2.886 30 20 BFED CCOc1ccc(NCCO[C@H](C)C#N)c(C)c1 802741109 MNAYGWNFWYPNKY-GFCCVEGCSA-N 248.326 2.734 30 20 BFED C#Cc1ccc(CN2CC[C@H](OC)C[C@H]2C)cc1 809660088 BIQLKSDLTFVPAS-CJNGLKHVSA-N 243.350 2.667 30 20 BFED C#CCON=CCc1ccc(C(C)C)cc1 812236804 ZIDDEBUXRLHTLJ-UHFFFAOYSA-N 215.296 2.988 30 20 BFED C=CCCCCCOC(=O)[C@](C)(O)C1CCC1 812664134 GBEHGQJJFGOIIF-CQSZACIVSA-N 240.343 2.827 30 20 BFED COC1CCC(=NN[C@@H](C)c2ccncc2)CC1 819817125 WCXAUEGFECPBTH-ZSOXZCCMSA-N 247.342 2.677 30 20 BFED COc1cc(C(=O)/C=C/c2cccc(F)c2)on1 821021079 CTFOBKLRWRUNOU-AATRIKPKSA-N 247.225 2.718 30 20 BFED CC(C)C#CC(=O)NCc1ccc(Cl)s1 821270451 CPZHGRLFMYVNCE-UHFFFAOYSA-N 241.743 2.677 30 20 BFED C=C1CCN(c2nc(CC)cs2)CC1 823256748 OIQVJBJKBBRGEZ-UHFFFAOYSA-N 208.330 2.862 30 20 BFED C#Cc1ccc(CNC[C@@H](OC)[C@@H](C)CC)cc1 824597010 NMRFNACENYZFMY-XJKSGUPXSA-N 245.366 2.819 30 20 BFED C=CCNc1ccc(C(C)(C)C(=O)O)cc1 825692553 XHWGVNNSNZVIMK-UHFFFAOYSA-N 219.284 2.647 30 20 BFED CCCCCCCNC(=O)COC(F)(F)F 826982374 WBOJBLLSSLPUQH-UHFFFAOYSA-N 241.253 2.609 30 20 BFED C=C[C@H](CC)CC(=O)N[C@H](CO)CCC(C)C 827184319 LDMVDKGSLHKZSB-OLZOCXBDSA-N 241.375 2.502 30 20 BFED C#Cc1cnc(N[C@H]2C[C@H]2Cc2ccccc2)nc1 827679448 KOIXYCBWLZMTOH-CABCVRRESA-N 249.317 2.501 30 20 BFED C#C[C@@H](C)N(C)c1nccc2c(OC)cccc12 828037021 RYNCAURMDRCGAE-LLVKDONJSA-N 240.306 2.701 30 20 BFED CCn1ccnc1S[C@H]1CC[C@H](C#N)C1 828970466 YIXMQYIBTSEVAE-UWVGGRQHSA-N 221.329 2.687 30 20 BFED C=C[C@](C)(O)C(=O)N(C)c1ccc(C(C)C)cc1 830335237 JLHBUQKFXZKAMH-HNNXBMFYSA-N 247.338 2.710 30 20 BFED N#CCCCCOC(=O)C1CC2(CCC2)C1 830638174 UIBWHYQCUHUSFL-UHFFFAOYSA-N 221.300 2.804 30 20 BFED C=CC(C)(C)C(=O)OCc1ccc2c(c1)CCO2 835137764 WDJFJQQETAKZKB-UHFFFAOYSA-N 246.306 2.877 30 20 BFED C=CCONC(=O)C[C@@H](C)c1ccccc1C 837047890 KCQVVYXSVUIXGB-GFCCVEGCSA-N 233.311 2.722 30 20 BFED CC(C)(C)C#CC(=O)N1CCc2ccccc2C1 837306132 XWPFIYCOQOXGCU-UHFFFAOYSA-N 241.334 2.621 30 20 BFED C[C@@H](CNC(=O)C#CC(C)(C)C)c1ccccc1 837312506 DFMPPHRNBGOMMM-ZDUSSCGKSA-N 243.350 2.956 30 20 BFED CC[C@@]1(C)CCN(C(=O)C#CC(C)(C)C)C1 837465962 SLRXHSSOOFJSNU-AWEZNQCLSA-N 221.344 2.685 30 20 BFED Cc1cc(CNC(=O)C#CC2CC2)ccc1Cl 837530458 RSCRVOJZTWQFLK-UHFFFAOYSA-N 247.725 2.678 30 20 BFED C[C@@H]1CC[C@H](CNC(=O)C#CC(C)(C)C)C1 837591561 CXFSKCMSZIPZBY-NEPJUHHUSA-N 221.344 2.588 30 20 BFED C=C(Cl)CN[C@H]1CCCO[C@@H]1CC(C)C 839563858 PIOQEWGEQZDOOB-NWDGAFQWSA-N 231.767 2.922 30 20 BFED C=C(C)CNC(=S)N[C@H](CC)C1CCCC1 840819407 MNBYLKXTZVGGTQ-GFCCVEGCSA-N 240.416 2.995 30 20 BFED CCCC(=NN(C)CCOC)[C@H]1CC1(C)C 841637658 UTOULXXOFINMPL-LLVKDONJSA-N 226.364 2.767 30 20 BFED C[C@H](CC#N)OC(=O)Cc1cccc(C2CC2)c1 842311517 YFMKZSYJDZCENQ-LLVKDONJSA-N 243.306 2.952 30 20 BFED C=C[C@H](C)OC(=O)[C@@H]1CCc2ccccc2C1 845523134 UJFCZJWZIVMEAX-SMDDNHRTSA-N 230.307 2.909 30 20 BFED CC[C@@H](C#N)C(=O)N1CCCC2(CCCC2)C1 845988945 CLLRSJHQBUTRDK-LBPRGKRZSA-N 234.343 2.719 30 20 BFED C=CCNC(=N)NC[C@@H]1CCCC[C@H]1CC 849035177 SGANMGRSUHVDFQ-NEPJUHHUSA-N 223.364 2.503 30 20 BFED CC(C)C[C@H](C)OC(=O)N(C1CC1)[C@H](C)C#N 849442805 JUVKQQRPDLCMDF-MNOVXSKESA-N 238.331 2.934 30 20 BFED Cc1nc(C)c(C=NN2CCCC[C@H]2C)s1 853380137 ODHJEMIEKHVDAH-SECBINFHSA-N 237.372 2.968 30 20 BFED CCON(C(=O)C(C#N)(CC)CC)C(C)C 862102993 XJHMQPGBCBMEKC-UHFFFAOYSA-N 226.320 2.505 30 20 BFED C=C(C)CONC(=O)[C@H](C)Cc1ccccc1C 862132554 IJFBFWHQMCHWCC-CYBMUJFWSA-N 247.338 2.798 30 20 BFED Cc1ccc([C@@H](C)C=NN2CCC[C@H]2CO)cc1 863119258 AYIJSCQKZOOENY-ZFWWWQNUSA-N 246.354 2.541 30 20 BFED C#CCCCCN[C@H]1CCCc2ncccc21 866305364 PSFYNUSYKKYNNP-AWEZNQCLSA-N 228.339 2.852 30 20 BFED Cc1cc(NN=C2C[C@H](C)C[C@@H](C)C2)nc(N)n1 872420980 UHHXIHVYQGSDNB-RKDXNWHRSA-N 247.346 2.591 30 20 BFED C=CCC(CC=C)C(=O)O[C@H](CC)C(C)=O 873369085 SQGIYOGTBZEGKF-GFCCVEGCSA-N 224.300 2.666 30 20 BFED CC(C)CN(CCC#N)Cc1cccc(F)c1N 876530773 UPUZXJDQWGJHBM-UHFFFAOYSA-N 249.333 2.780 30 20 BFED C=CC(C)(C)CC(=O)NC[C@@H](C)c1ccncc1 879091113 IEHSXEMOPIENKJ-GFCCVEGCSA-N 246.354 2.904 30 20 BFED C=C[C@](C)(CC)C(=O)N1CCC(F)CC1 881611691 RRYJAUUNOKLSAL-GFCCVEGCSA-N 213.296 2.549 30 20 BFED C=C1CC(c2noc([C@@]3(C)CCCOC3)n2)C1 896883863 MHSSNFLPUHMXMY-ZDUSSCGKSA-N 234.299 2.571 30 20 BFED CC(=NNc1cc(F)ccc1F)[C@@H]1CCOC1 901319657 CTOYTGXDTUCBIY-SECBINFHSA-N 240.253 2.789 30 20 BFED C1=C[C@@H]2C[C@H]1C[C@H]2CON=C1CCCOCC1 902324029 KEKGNSUSGRDKQN-XQQFMLRXSA-N 235.327 2.772 30 20 BFED C=C[C@H](CC)Cc1nc(Cc2cc(C)on2)no1 904009386 XEDOFJJURQOLDB-SNVBAGLBSA-N 247.298 2.712 30 20 BFED CC1(CCC(=O)OCCCSCC#N)CC1 910038112 PIEJEISZUWMLKK-UHFFFAOYSA-N 241.356 2.757 30 20 BFED c1cnc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cn1 912962416 VUWQWIQNEBCQQB-KXNHARMFSA-N 242.326 2.701 30 20 BFED C=C(Cl)COc1ccc(C)cc1C(=O)OC 915664889 AGNJSSFSTVSNOE-UHFFFAOYSA-N 240.686 2.913 30 20 BFED N#Cc1ccc(NN=Cc2ccc(O)cc2)cc1 915962704 PVZLEXQMCGDJHY-UHFFFAOYSA-N 237.262 2.710 30 20 BFED Cc1cccc(C=NNc2ccccn2)c1 916276022 GZOWHDHBNKSSAN-UHFFFAOYSA-N 211.268 2.836 30 20 BFED C[C@@H]1CC[C@@H](C)C1NCC(C)(C)CC#N 926570532 ZJKRRXCCGSFOEO-GHMZBOCLSA-N 208.349 2.950 30 20 BFED C=C(Cl)CNC(=O)C1(OC)CCCCCC1 933167364 JIVWONCELLFZCA-UHFFFAOYSA-N 245.750 2.595 30 20 BFED Cc1cc(SCC(=O)OC(C)C)ccc1C#N 1118237742 JJTFLJLVWIQHQD-UHFFFAOYSA-N 249.335 2.910 30 20 BFED C[C@@H]1CCCC[C@@H]1COC(=O)c1cc(C#N)c[nH]1 1118391466 NZLULRYVLSXWJP-ZYHUDNBSSA-N 246.310 2.869 30 20 BFED C=CC[C@H](CC)NC(=O)N1CCC=C(Cl)C1 1119970141 OUMXBDYCBQFEHJ-NSHDSACASA-N 242.750 2.879 30 20 BFED C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NC(C)C 1134486104 OHGWLELBAHQZKX-STQMWFEESA-N 240.391 2.624 30 20 BFED CN(Cc1ccsc1)Cc1cccc(C#N)n1 1232924515 HDSLIGBDFVRVKX-UHFFFAOYSA-N 243.335 2.647 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)NCCC 1263026216 GNAZOWKBODVDFK-LLVKDONJSA-N 210.321 2.537 30 20 BFED C/C=C(/C)C(=O)O[C@H](CC#N)c1ccco1 1263660705 NMSFAVSWXDEMDP-IMAIQDNJSA-N 219.240 2.744 30 20 BFED Cn1ccc(NN=C2CC[C@H]2c2ccccc2)n1 1321014252 ODNYGFPBWKSLAB-LBPRGKRZSA-N 240.310 2.766 30 20 BFED C#CCCCNC(=O)N1CC[C@H]2CCCC[C@H]2C1 1321795976 GRCQRZDKZIGYFO-KGLIPLIRSA-N 248.370 2.622 30 20 BFED C=CCn1cnnc1SCC1CC=CC1 1327193259 ILKLSRYRYXAKPS-UHFFFAOYSA-N 221.329 2.522 30 20 BFED C#CCN(CC#N)[C@@H](C)CCc1cccc(F)c1 1335118346 PNNXYYQWPZWOJJ-ZDUSSCGKSA-N 244.313 2.606 30 20 BFED C#C[C@H](NC[C@@H](O)c1ccc(C)cc1)C(C)(C)C 1335499254 TWXGDDUABIYEAD-CABCVRRESA-N 245.366 2.666 30 20 BFED C=CCn1c([C@H]2C[C@@H]2C)nnc1N(C)CCCC 1340420539 POENMOAKDMLXNJ-RYUDHWBXSA-N 248.374 2.824 30 20 BFED CC(C)(C)ON=C1CCOC2(CCC2)C1 1344436960 CCAXWWINHSRRGO-UHFFFAOYSA-N 211.305 2.891 30 20 BFED C=C(CC)C(=O)NCc1c(C)cccc1C 1346687821 KJJZTLSNVRVTLF-UHFFFAOYSA-N 217.312 2.886 30 20 BFED C=C(CC)C(=O)N[C@H](C)CCCc1cccnc1 1348727773 PMOHAEUZXAAIGI-CYBMUJFWSA-N 246.354 2.875 30 20 BFED N#CC1(CC(=O)OCC(F)(F)F)CCCCC1 1515189206 UXQILQGVZDHHLE-UHFFFAOYSA-N 249.232 2.956 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)c1coc(CC)n1 1518484162 DCVKNXDCRWUGIA-LLVKDONJSA-N 248.326 2.808 30 20 BFED C=C(C)CCC(=O)O[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 1524672154 OYUKSRDESGHAPE-WCFLWFBJSA-N 238.327 2.699 30 20 BFED C=C(C)C[C@H](N[C@H]1CC[C@@H]2CCC[C@@H]21)C(=O)O 1573323552 COKZRCPEBZHDSU-CYDGBPFRSA-N 237.343 2.574 30 20 BFED C=CCCC(C)(C)CNC1CC(CCN)C1 1574900401 YRBSMADKFFIVBP-UHFFFAOYSA-N 224.392 2.696 30 20 BFED N#Cc1ccc(CSc2nncs2)cc1 12982446 TYHBVTBQPHENQD-UHFFFAOYSA-N 233.321 2.702 30 20 BFED CCc1cccc(C)c1NC(=O)[C@@H](C)C#N 36240634 FCVOJDGUXNWYJO-JTQLQIEISA-N 216.284 2.656 30 20 BFED N#Cc1cccc(C(=O)NCc2ccsc2)c1 38586155 SANVTWIUIMKBDD-UHFFFAOYSA-N 242.303 2.550 30 20 BFED Cc1ccsc1/C=C/C(=O)c1cn(C)nc1C 48625350 HFJMZELLKCZGQT-SNAWJCMRSA-N 246.335 2.995 30 20 BFED Cc1ccc(OC2CCN(CC#N)CC2)cc1C 51992236 FGMQANUNNAZRRZ-UHFFFAOYSA-N 244.338 2.670 30 20 BFED N#CCCN(CCC#N)C(=O)CCC1CCCC1 60620422 MMBJLZHOHYXKGP-UHFFFAOYSA-N 247.342 2.613 30 20 BFED CCCC/C(N)=N/OCc1ccc(F)cc1 63460152 WFAPDWNCRVRLGN-UHFFFAOYSA-N 224.279 2.805 30 20 BFED C=CCN(Cc1cccs1)C(=O)NCCC 70754790 KULHGXGVDMXBCU-UHFFFAOYSA-N 238.356 2.856 30 20 BFED C=CCCCN1C[C@@H](CCN)c2ccccc21 71276171 LGUUCTLUCRKBPH-CYBMUJFWSA-N 230.355 2.905 30 20 BFED C[C@H]1CC=CC[C@@H]1COC(=O)C(C)(C)C#N 71970788 AVYIWZDNMWCILX-WDEREUQCSA-N 221.300 2.682 30 20 BFED C/C=C/COC(=O)CCc1ccc(C#N)cc1 78299643 GGNQYVGSWCFKLT-NSCUHMNNSA-N 229.279 2.610 30 20 BFED C[C@H]1CCCN(C(=O)c2cc(C#N)cs2)CC1 84088380 IAFUKNFCKAJONA-JTQLQIEISA-N 248.351 2.882 30 20 BFED C[C@@H](C#N)CN(C)C(=O)C1CCCCCCC1 86579693 JJELPNZWHHVATE-LBPRGKRZSA-N 236.359 2.965 30 20 BFED C=C(C)COc1cccc(C(=O)NC2CC2)c1 89508272 PVGUKYCTLQARRX-UHFFFAOYSA-N 231.295 2.534 30 20 BFED CC#CCN(C)C[C@@H](C)Cc1ccc(OC)cc1 90618274 WDLSLVBERILUAR-AWEZNQCLSA-N 245.366 2.829 30 20 BFED Cn1cc(C(=O)/C=C\c2ccc(F)cc2F)cn1 96035595 USXOJIZIXZLETK-HYXAFXHYSA-N 248.232 2.594 30 20 BFED N#Cc1ccc(OCCN2CCCCC2)cc1F 113649789 GTVJYDHOOORVDV-UHFFFAOYSA-N 248.301 2.562 30 20 BFED CC[C@H](C#N)NC(=O)[C@@H](c1ccccc1)C(C)C 123579148 XCWQTVOZZJBLQY-ZIAGYGMSSA-N 244.338 2.845 30 20 BFED CCCCCCCCCN(C)[C@H](C)C(N)=O 126225618 LKAKIQLMSAGZRA-GFCCVEGCSA-N 228.380 2.543 30 20 BFED C=C[C@H](C)Nc1nc(-c2cccc(OC)c2)no1 129308405 XAQVMLBKKXQURR-VIFPVBQESA-N 245.282 2.732 30 20 BFED C=C[C@@H](C)Nc1ccc(C)cc1[N+](=O)[O-] 130630093 QLIXYQGNEYDENA-SECBINFHSA-N 206.245 2.890 30 20 BFED Cc1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1F 131640985 LLVHTLCTGPDCQD-UHFFFAOYSA-N 243.241 2.586 30 20 BFED C=CCC(CC=C)C(=O)OCC[C@H]1CCCO1 151684126 CJZLOYPMNYEYIT-CYBMUJFWSA-N 238.327 2.867 30 20 BFED C#CCN1CCC(C)(c2ccccc2)CC1 153612235 DPTACIOHYROIRH-UHFFFAOYSA-N 213.324 2.673 30 20 BFED C=CC[C@@H](C)NC(=O)N1CCC2(CCC2)C1 153939144 NHDUWSAGDYHDDL-LLVKDONJSA-N 222.332 2.537 30 20 BFED C=C[C@@H](C)NC(=O)c1ccc(CC)cc1 154144982 YYQISLKFGYJDGK-SNVBAGLBSA-N 203.285 2.553 30 20 BFED C=C(C)CN(C)C(=O)C[C@H](C)c1c(C)n[nH]c1C 155826618 IMMQAYWZEUPRHV-JTQLQIEISA-N 249.358 2.555 30 20 BFED C=CCCO[C@@H](C)C(=O)Nc1ccc(O)cc1C 156473752 JIPDPYMLBUCHAG-NSHDSACASA-N 249.310 2.620 30 20 BFED CCC(C#N)(CC)C(=O)N1C[C@@H]2CCC[C@H]2C1 159819991 YYTJSZAOUIKWNF-RYUDHWBXSA-N 234.343 2.575 30 20 BFED CC(C)CN(CCC#N)C[C@H]1CCC(C)(C)O1 160366746 VSYQKBLTAIYCJW-CYBMUJFWSA-N 238.375 2.816 30 20 BFED C[C@H](O)C[C@H](C)Nc1ccc(C#N)c(Cl)c1 164888672 TYQSXAPOJUJTAW-IUCAKERBSA-N 238.718 2.783 30 20 BFED CCCCCCCC(=O)N[C@@H](C)C[C@@H](C)N 165673534 CRKKOYYMJZFGIS-NEPJUHHUSA-N 228.380 2.589 30 20 BFED C=C(C)CCN1CCC[C@@](CC)(C(=O)O)C1 169073635 JGGQRWRUSAIDBD-CYBMUJFWSA-N 225.332 2.529 30 20 BFED C/C(=C\C(=O)N[C@H](C#N)C1CCCCC1)C1CC1 176642118 YVXYCJZTUJPZDE-CFRMROPGSA-N 246.354 2.931 30 20 BFED C=CCC[C@@H](O)CN[C@@H](C)C1CCCCC1 182707079 IICBUDJXBBCPGU-GXTWGEPZSA-N 225.376 2.872 30 20 BFED CC#CCCOc1ccc(N2CCCC2=O)cc1 184900724 SQRLKFZVYSBMBK-UHFFFAOYSA-N 243.306 2.606 30 20 BFED Cc1ccccc1/C=N/OCCOCC(F)F 189190417 FVBLPYYAQHHZTF-OVCLIPMQSA-N 243.253 2.627 30 20 BFED C#CCCCC(=O)N1CCc2ccccc2[C@H]1C 192283429 VKGRRDPOJNFCQI-CYBMUJFWSA-N 241.334 2.936 30 20 BFED Cc1csc(CN[C@@H]2CCC[C@H](C#N)C2)n1 192639881 ZEBCUTKRXWHKFD-WDEREUQCSA-N 235.356 2.624 30 20 BFED N#CCCCCN[C@H]1[C@H]2CCO[C@H]2C12CCCC2 194022786 HLIUYCGIQRVULQ-HZSPNIEDSA-N 248.370 2.618 30 20 BFED COc1cccc([C@H](C)C(=O)OCCCC#N)c1 194852951 GARBODHHRYJELE-NSHDSACASA-N 247.294 2.646 30 20 BFED Cc1ccsc1/C=C\C(=O)c1cn(C)nc1C 210347550 HFJMZELLKCZGQT-PLNGDYQASA-N 246.335 2.995 30 20 BFED CCNc1ccc(C#N)c(Br)c1 228173117 SXNVDCKOGXLSHV-UHFFFAOYSA-N 225.089 2.753 30 20 BFED CC[C@@H](C#N)C(=O)NCC(C(C)C)C(C)C 229566363 WGTXWOAZCBAGTC-NSHDSACASA-N 224.348 2.581 30 20 BFED CC(C)(C#N)CN[C@@H]1CCCc2ccc(O)cc21 232528773 CMOXJAHOWHRICR-CQSZACIVSA-N 244.338 2.909 30 20 BFED CC(C)[C@H](C)[S@@](=O)Cc1ccccc1C#N 232820179 NJRNUXDUVZAUDR-ZBEGNZNMSA-N 235.352 2.851 30 20 BFED C#C[C@@H](CCC)NC(=O)Cc1ccc(C)c(C)c1 233295510 IVSDIAMVDFZWMN-HNNXBMFYSA-N 243.350 2.764 30 20 BFED Cn1cccc1C=NNc1ccc(F)cc1 254399827 YWOYUQUZOPRROX-UHFFFAOYSA-N 217.247 2.610 30 20 BFED N#Cc1ccc(/C=C\c2ccc(O)cc2)nc1 255265009 OXQQVUKBVPBKRD-KTAJNNJTSA-N 222.247 2.829 30 20 BFED N#CCCCCNc1nccc2occc12 266190839 BWATYIYKACZQQN-UHFFFAOYSA-N 215.256 2.934 30 20 BFED C[C@H]1C[C@H](C)CCN1C(=O)C#Cc1ccccc1 267114720 NISPHWUSTQXNDQ-KGLIPLIRSA-N 241.334 2.685 30 20 BFED C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)[C@@H]1C 267722136 UWXHUCPALVQIBN-NXEZZACHSA-N 245.282 2.701 30 20 BFED CC(C(=O)N(CCC#N)CCC#N)=C1CCCC1 267829649 CQELLZZLKXWDPX-UHFFFAOYSA-N 245.326 2.533 30 20 BFED C=CCC[C@H](CC)NC[C@@H](O)c1ccc(C)o1 268981708 KSGOWNJJZDHZGU-QWHCGFSZSA-N 237.343 2.956 30 20 BFED C=CCN(Cc1cn2c(C)cccc2n1)C1CC1 271544017 ZKEVUNFDIUCQKT-UHFFFAOYSA-N 241.338 2.793 30 20 BFED C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)[C@H]1C 274231191 QSCUAVMOWNWJEL-UWVGGRQHSA-N 245.282 2.701 30 20 BFED Cc1cc(OC(=O)C(C)(C)C)ccc1C#N 278004563 SBDDJNSTSOFKTF-UHFFFAOYSA-N 217.268 2.818 30 20 BFED C=CC[C@H](CC)NC(=O)Cc1ccsc1 281494162 VNRSHLNDKXQPJX-NSHDSACASA-N 223.341 2.762 30 20 BFED C#C[C@@H](NC(=O)c1cccc2cc[nH]c12)C(C)C 282124403 PBICTXMXIHZTKD-CYBMUJFWSA-N 240.306 2.556 30 20 BFED C=CCCSCc1cnccc1OC 289337589 DRONOHAURXTIRS-UHFFFAOYSA-N 209.314 2.900 30 20 BFED CC[C@@](C)(C#N)c1nc(CCC2CC2)no1 289810318 RQMCGRRWCITFDR-LBPRGKRZSA-N 219.288 2.603 30 20 BFED C#CCC(C)(C)c1nc([C@](C)(CC)OC)no1 290612295 YOQRSPGCSHFATH-ZDUSSCGKSA-N 236.315 2.642 30 20 BFED N#CCCCC(=O)N[C@H]1C[C@H](c2ccccc2)C1 291879608 IXNFZPAZPZIBRU-HDJSIYSDSA-N 242.322 2.743 30 20 BFED CCOC1(CNc2cccnc2C#N)CCCC1 292717653 HHJKFEWHJGDOOQ-UHFFFAOYSA-N 245.326 2.714 30 20 BFED C=C[C@H](CC(=O)NOCC1CC1)c1ccccc1 293729283 HOLUCCZOKNAILO-CYBMUJFWSA-N 245.322 2.804 30 20 BFED C=CCC(C)(C)CNC(=O)[C@](C)(C#N)CC 293799521 PMDVPZWVSUVEKL-ZDUSSCGKSA-N 222.332 2.645 30 20 BFED C=CC[C@H](C)[C@@H](C)NCc1cnccc1OC 294010506 DGTREHAHIWUPMK-NWDGAFQWSA-N 234.343 2.781 30 20 BFED CC(C)(CCNc1nccc(C#N)n1)C1CC1 294874409 FIWBIDIJNJRTCB-UHFFFAOYSA-N 230.315 2.586 30 20 BFED C=CC[C@H](C)NC(=O)c1cc2c([nH]1)CCCC2 295355650 VURAKEDVVDDQOV-JTQLQIEISA-N 232.327 2.588 30 20 BFED C=CCCO[C@H](C)C(=O)Nc1ccccc1OC 299336802 SMQIUPUGMWISBL-LLVKDONJSA-N 249.310 2.615 30 20 BFED C=C[C@@H](Sc1ccc(Cl)cn1)C(=O)OC 301037597 UTEWWSFAKJGRIJ-MRVPVSSYSA-N 243.715 2.555 30 20 BFED Cc1ccnc(N[C@@H](C)c2cccc(C#N)c2)n1 301442988 MYKZKIBEAAQDTF-NSHDSACASA-N 238.294 2.830 30 20 BFED CC1(C)[C@@H]2CN(c3cccc(F)c3C#N)C[C@H]21 301451115 LOGWIRNHNZKPKY-GHMZBOCLSA-N 230.286 2.790 30 20 BFED C=CCOC(=O)c1cscc1Br 308123747 SUBJONVUPOUCSJ-UHFFFAOYSA-N 247.113 2.853 30 20 BFED C=C(CC)COC(=O)c1ccc(N)cc1F 309315511 YOLLZTYMWQSWET-UHFFFAOYSA-N 223.247 2.531 30 20 BFED C#Cc1ccc(CN[C@H]2CSC[C@@H]2C)cc1 309816857 VKGZFMGPQNBXQK-FZMZJTMJSA-N 231.364 2.509 30 20 BFED CSC[C@H](C)NCc1ccc(C#N)c(C)c1 309864962 OCBBQONOQXNDHW-NSHDSACASA-N 234.368 2.708 30 20 BFED C[C@@H]1CCC[C@@H](/N=C(/O)CCc2cnccn2)C1 329956066 LAXQDBWFLDRPSY-VXGBXAGGSA-N 247.342 2.944 30 20 BFED CCC(CC)/N=C(/O)c1ncc(C)cc1OC 331170956 UKFQAPDKBSTOGY-UHFFFAOYSA-N 236.315 2.892 30 20 BFED C[C@@H]1CC[C@H](CC(=O)N[C@]2(C#N)CC2(C)C)C1 331997741 VCKFSQOQOUCTRT-SUNKGSAMSA-N 234.343 2.621 30 20 BFED CN(CC#N)C(=O)C[C@H]1CCCCC1(C)C 334252445 JFDWUHGHDDZWQX-LLVKDONJSA-N 222.332 2.575 30 20 BFED CCC1CN(c2ncc(Cl)c(C)c2C#N)C1 334580702 ZXLFHQXPYNPULW-UHFFFAOYSA-N 235.718 2.761 30 20 BFED CC[C@@](C)(C#N)C(=O)N1CC[C@@H](C2CCCC2)C1 335035162 XZYLGEZVVPVSGG-HIFRSBDPSA-N 248.370 2.965 30 20 BFED C[C@H]1CCC[C@@H]1C(=O)NCc1ccc(C#N)s1 335045230 QRENBJXRGHUIQA-CABZTGNLSA-N 248.351 2.672 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@@H]1CCC1(C)C 335554084 BZKPGSIKHFLCOW-SNVBAGLBSA-N 209.333 2.894 30 20 BFED CC1(C)CC[C@H]1NC(=O)c1cccc(F)c1C#N 335775822 LBJMQFRGALVRIU-GFCCVEGCSA-N 246.285 2.616 30 20 BFED C=C1CCN(C(=O)CC[C@H]2CCCCO2)CC1 335956793 ZTNNJUUKIIGHJF-CYBMUJFWSA-N 237.343 2.514 30 20 BFED C=C(CC)Cn1cnc2scc(C)c2c1=O 336009328 IOMKZOBJBJNUJG-UHFFFAOYSA-N 234.324 2.733 30 20 BFED C=C[C@H]1CCCCN1C(=O)NC1CC(C)C1 336107355 FGTLQMPDVYHBIN-MCIGGMRASA-N 222.332 2.535 30 20 BFED CC(C)(C)[C@H]1CCN(CC2(C#N)CC2)C1 336475553 ZQVWNEWHACZJFJ-NSHDSACASA-N 206.333 2.658 30 20 BFED CSC1(CN[C@H]2CC[C@H](C#N)C2)CCC1 336664745 CXESRABTQRZSML-QWRGUYRKSA-N 224.373 2.554 30 20 BFED CCS[C@H]1CC[C@@H](N(C)CCC#N)C1 336672367 MKPCLTNSHMZRPT-MNOVXSKESA-N 212.362 2.506 30 20 BFED C[C@H](Cc1cccs1)N[C@H]1CC[C@@H](C#N)C1 336746150 RBYPQVVZVXHZNJ-UTUOFQBUSA-N 234.368 2.961 30 20 BFED C=CCN[C@@H]1[C@H](C)[C@@H](OC)C1(CC)CC 336751201 FOFJJQYFGWDJCO-QJPTWQEYSA-N 211.349 2.602 30 20 BFED C=CCCOc1nc(C)cc(C)c1[N+](=O)[O-] 339026772 PPCAVNMUVYPUOY-UHFFFAOYSA-N 222.244 2.562 30 20 BFED C=C(CNCc1c(C)n[nH]c1C)c1ccccc1 340437161 NOFAYIBNHNQZCP-UHFFFAOYSA-N 241.338 2.830 30 20 BFED C=CC[C@H](C)[C@@H](C)NC[C@@H](OC)C1CC1 340489851 NIRNXPNMVPDSHA-DMDPSCGWSA-N 211.349 2.602 30 20 BFED CCN(C[C@H](C)C#N)[C@H](C)c1cccnc1 340601195 MIJIRAYBQNUFKZ-VXGBXAGGSA-N 217.316 2.624 30 20 BFED CCC1CCN(c2snc(C)c2C#N)CC1 341572572 JWBSQYSCDKKSEE-UHFFFAOYSA-N 235.356 2.950 30 20 BFED C=CC[C@@H](C)NC(=O)N1CC[C@@](C)(CC)C1 344084207 AYNQHZOUAPBQEH-DGCLKSJQSA-N 224.348 2.783 30 20 BFED C=C1CCN(CCCCCC(=O)OCC)CC1 344581762 LQTKSSMGQBKUSH-UHFFFAOYSA-N 239.359 2.762 30 20 BFED C=CCCO[C@H](C)C(=O)N(CCC)CC1CC1 344979376 MREBUOOKVMZYGW-GFCCVEGCSA-N 239.359 2.616 30 20 BFED C=CCC(C)(C)C(=O)N[C@H](C)[C@H]1CCCCO1 345676418 JRGRCDOUAIMUHS-VXGBXAGGSA-N 239.359 2.663 30 20 BFED Cc1cc(C)c(C(=O)NCC(C)(C)CCC#N)o1 345891917 TXILFPPRVWTZDL-UHFFFAOYSA-N 248.326 2.956 30 20 BFED CCOc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 349822076 NZLPXQUBLBKLSP-TZMCWYRMSA-N 244.338 2.867 30 20 BFED N#C[C@@H]1CCC[C@@H](N[C@H](C2CC2)C(F)(F)F)C1 352477968 QNYYFPAMVMRDME-FBIMIBRVSA-N 246.276 2.999 30 20 BFED CC[C@@](C)(C#N)C(=O)Nc1scnc1C1CC1 354505863 UXJYYRBOJQCASE-LBPRGKRZSA-N 249.339 2.899 30 20 BFED C=CCOCC(=O)NC[C@@H](CC)CCCC 354776301 XRZQJKGVQIJTLW-LBPRGKRZSA-N 227.348 2.522 30 20 BFED C=CC[C@H](C)NC(=O)CCCC(F)(F)F 356029382 QBVDDNGXHVCDIR-QMMMGPOBSA-N 223.238 2.800 30 20 BFED C=CCOCCCOc1cccc2c1CCC2=O 356060728 NIYNEFCXGRXHBZ-UHFFFAOYSA-N 246.306 2.787 30 20 BFED CC#CCCN(CCOC)Cc1cccs1 360455520 OGPZMKDBYVHJBL-UHFFFAOYSA-N 237.368 2.610 30 20 BFED CN(CCC#N)CCCc1ccsc1 360964968 AQIZZSYKZSLZRS-UHFFFAOYSA-N 208.330 2.526 30 20 BFED CCC[C@@H]1C[C@H]1C(=O)N(CC#N)C1CCCC1 361889979 RZCQRRVFIVHKLZ-DGCLKSJQSA-N 234.343 2.717 30 20 BFED CCC(C)(C)C(=O)N1CCC[C@@H](CC#N)C1 397630760 OCGALYYKQLWALA-NSHDSACASA-N 222.332 2.575 30 20 BFED CCCC[C@@H](CC)CNc1cncc(C#N)n1 401283510 HCWOMELLSQQNEV-LLVKDONJSA-N 232.331 2.977 30 20 BFED CC[C@@H]1CN(Cc2cccc(C#N)c2)[C@@H](C)CO1 404003443 UUXNHMACPCIHSZ-SWLSCSKDSA-N 244.338 2.558 30 20 BFED C=CC[C@H](Cc1ccccc1)NC(=O)NC(C)C 413036242 PNVASMQEVMWLSA-CQSZACIVSA-N 246.354 2.881 30 20 BFED C[C@H](NC(=O)CC#N)c1ccc(C2CC2)cc1 416294431 YDGLSRCRISDQFF-JTQLQIEISA-N 228.295 2.655 30 20 BFED C=CCCCCN[C@@H]1CCCCC[C@H]1N 423044835 BFRPFIVNJGGIGL-CHWSQXEVSA-N 210.365 2.592 30 20 BFED CC1(C#N)CCC(NCCC[C@H]2CCCN2)CC1 423477209 JUEPPRMREVWGPM-WLYUNCDWSA-N 249.402 2.581 30 20 BFED CCN(CC1CC1)c1ncc2c(c1C#N)CCC2 425226451 MSTNEUSFOCIRPG-UHFFFAOYSA-N 241.338 2.678 30 20 BFED N#CCC1(CNCc2scnc2C2CC2)CC1 430071346 MXMOHHHTTJUVGU-UHFFFAOYSA-N 247.367 2.804 30 20 BFED Cc1cc(N(C)CC(C)(C)C#N)ccc1[N+](=O)[O-] 432142503 FLBNYPOEPXFMTG-UHFFFAOYSA-N 247.298 2.889 30 20 BFED C=C(CC)CN(CCOC)[C@@H]1CCCSC1 433182004 MNPIJBVRNGPUPG-CYBMUJFWSA-N 243.416 2.797 30 20 BFED C=CCC(C)(C)C(=O)NC[C@H](OC)[C@@H](C)CC 452422425 KRCNNJPRKUDZSA-RYUDHWBXSA-N 241.375 2.766 30 20 BFED C=CCCCC(=O)N1CCCC[C@H]1COCC 458093666 QFXPYWPGXIPLDV-ZDUSSCGKSA-N 239.359 2.760 30 20 BFED C=CCN(C(=O)N[C@@H](C1CCC1)C1CC1)C1CC1 459197466 QKPWNASIGPDHCU-AWEZNQCLSA-N 248.370 2.925 30 20 BFED CC(C)(CC#N)CNCc1cccc2cn[nH]c12 459729588 KDYJHINMVWLPSY-UHFFFAOYSA-N 242.326 2.592 30 20 BFED C#CCN(Cc1ccccc1)C(=O)[C@H](C)C1CC1 491179924 ILTUKCSSYLOCRP-CYBMUJFWSA-N 241.334 2.695 30 20 BFED C#CCN(C(=O)CC(C)(C)C#N)C1CCCCC1 491316342 UOSXIRYLPLFMFA-UHFFFAOYSA-N 246.354 2.721 30 20 BFED CCc1nocc1CSCCCC#N 519834345 JYORSGLEACNCDC-UHFFFAOYSA-N 210.302 2.774 30 20 BFED CCCCSCCC(=O)N[C@H](C#N)CCC 523531218 PVYPJPSAPJPDKF-NSHDSACASA-N 242.388 2.718 30 20 BFED CC#CCCNC(=O)[C@H](C)c1cccc(C)c1 543605142 KRTRYZCWKJCQOE-CYBMUJFWSA-N 229.323 2.628 30 20 BFED CC[C@](C)(C#N)NC(=O)c1cc[nH]c1C(C)C 556812286 VRQQVWPNTIFHQX-CYBMUJFWSA-N 233.315 2.560 30 20 BFED Cc1ccc(C[C@@H](C#N)S[C@H](C)CO)cc1 563114416 ZADKLHCGCLMEOD-YPMHNXCESA-N 235.352 2.544 30 20 BFED C=CCCCCSCC(=O)NC(C)C 572740584 QFNZBXOZEHDSCT-UHFFFAOYSA-N 215.362 2.601 30 20 BFED CCC[C@@H](C#N)NC(=O)[C@]1(C)CC=CCC1 573929467 NKCZAHVMSIUOHC-WCQYABFASA-N 220.316 2.541 30 20 BFED C=CCCC(=O)NCCOc1ccc(C)cc1C 588019047 FUIIQRSSCGAEQO-UHFFFAOYSA-N 247.338 2.765 30 20 BFED C[C@@H]1CCCC[C@@H]1CNCc1cccc(C#N)n1 602519945 BMUKFRGNLDMMQW-CHWSQXEVSA-N 243.354 2.869 30 20 BFED CCCn1cc(CC2(C#N)CCCCC2)nn1 603164130 SDSRNSQCODRWGA-UHFFFAOYSA-N 232.331 2.705 30 20 BFED C[C@@H]1CCCC[C@@H]1Cn1cc(CCC#N)nn1 603234775 QPFMPMNKLUFBAB-VXGBXAGGSA-N 232.331 2.561 30 20 BFED 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20 BFED C=CCCC(=O)NC(C)(C)CC(F)(F)F 682017280 PQHGJUFANACJOM-UHFFFAOYSA-N 223.238 2.800 30 20 BFED C=C[C@H]1CCCCN1C(=O)N[C@H](C)CCC 683817924 KKDILFZIZRQBRV-NEPJUHHUSA-N 224.348 2.925 30 20 BFED CCC#C[C@H](C)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 685604566 JVWVPZKOICKBOD-ZNMIVQPWSA-N 247.382 2.822 30 20 BFED C=CC[C@@H]1CCCN(CCC(C)(C)C(=O)O)C1 703674211 LSYTWWSKKFACLA-GFCCVEGCSA-N 239.359 2.775 30 20 BFED C[C@@H](CC#N)N(C)C(=O)C12CCC(CC1)CC2 710070726 ZUBLPYDPCBAPSJ-DCBWTQNWSA-N 234.343 2.717 30 20 BFED COc1cccc(NN=Cc2ccncc2)c1 725853918 XGNXALPQWWHBQD-UHFFFAOYSA-N 227.267 2.536 30 20 BFED C#CCCOC(=O)c1cc2cccc(C)c2o1 727041797 FXWFGESSYYMRMV-UHFFFAOYSA-N 228.247 2.921 30 20 BFED C=C1CCN(C(=O)c2scnc2Cl)CC1 731052351 LRPYTLGYXYIJLJ-UHFFFAOYSA-N 242.731 2.589 30 20 BFED N#Cc1ccc(COC(=O)C2CC=CC2)c(F)c1 741043392 AQMQZFDYLLIPNW-UHFFFAOYSA-N 245.253 2.707 30 20 BFED CCCCCC[C@@H](C)C(=O)N(C)CC#N 742059284 JATDVMQDOXNOBM-LLVKDONJSA-N 210.321 2.575 30 20 BFED Cc1cc(C)cc(NN=C2CCO[C@@H]2C)c1 747740599 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KNFITDIFHKPRFF-UHFFFAOYSA-N 229.279 2.764 30 20 BFED C#CCCCN1C[C@H](C)Oc2c(F)cccc21 775845300 PJZOGRPKZUKLIK-NSHDSACASA-N 233.286 2.826 30 20 BFED CC(C)c1cc(C(=O)OCCC(C)(C)C#N)n[nH]1 776375855 OBPWKSVXGHBDKS-UHFFFAOYSA-N 249.314 2.630 30 20 BFED C[C@@H](C#N)COC(=O)c1cncc2ccccc12 783410306 ZZIYUZKYUIJMQO-JTQLQIEISA-N 240.262 2.551 30 20 BFED Cc1cccc(COC(=O)c2ccc(C#N)[nH]2)c1 786071883 URLWVCMXZIJFCC-UHFFFAOYSA-N 240.262 2.552 30 20 BFED CC[C@@H](C)NN=Cc1ccc(COC)cc1 790189791 QGGXYPPEEJSQFH-LLVKDONJSA-N 220.316 2.555 30 20 BFED CC(=NNc1ncccc1C)c1cccc(O)c1 790191441 UWHRNHDUBULXOD-UHFFFAOYSA-N 241.294 2.932 30 20 BFED CC(=NNc1ncncc1F)C1CCCCC1 793226236 OJVRSIGUXQDYKY-UHFFFAOYSA-N 236.294 2.984 30 20 BFED C=CCNN=C1CCc2cc(Cl)ccc21 794997898 BJKHFKWOOULHOR-UHFFFAOYSA-N 220.703 2.766 30 20 BFED Cc1ccccc1C=NNc1cccc(F)n1 795009507 BJHIKRAJBURBMY-UHFFFAOYSA-N 229.258 2.975 30 20 BFED FC(F)(F)CON=C1CCCc2cccnc21 799112737 YZYSSDSDFNRQHQ-UHFFFAOYSA-N 244.216 2.701 30 20 BFED Cc1ccc(C(=O)N[C@H]2CC[C@H](C)C2)cc1C#N 799372719 ZSAJGFRXFNQQAY-HZMBPMFUSA-N 242.322 2.785 30 20 BFED FC(F)C1CCC(=NNC2CC2)CC1 799484779 IMVYHVHMILIIME-UHFFFAOYSA-N 202.248 2.550 30 20 BFED N#Cc1ccc(/C=C/c2cc(F)ncc2F)nc1 806566414 FMLDEXXHYDALFR-DUXPYHPUSA-N 243.216 2.797 30 20 BFED C#C[C@H](NC(=O)N(CCC)CCC)C(C)(C)C 808313881 GCEFDQQLVLDGRM-LBPRGKRZSA-N 238.375 2.866 30 20 BFED C=CCCCCOC(=O)[C@@H](OC)[C@H](C)CC 811008670 JJXXYBCVYWVFKV-NEPJUHHUSA-N 228.332 2.947 30 20 BFED CC[C@H](O)CNN=Cc1csc2ccccc12 811654961 AOLOTWFPHJUKAF-NSHDSACASA-N 248.351 2.596 30 20 BFED CC(C)(C)N1CCC(=NOCC2CC2)CC1 814243173 JRIGCOMUEBUUFI-UHFFFAOYSA-N 224.348 2.663 30 20 BFED Cc1cccnc1C=NOCCC1CC1 814246751 CXJORIDXPODIMW-UHFFFAOYSA-N 204.273 2.541 30 20 BFED CCC(CC)NN=C1CC[C@H](C(=O)O)[C@H](C)C1 814851348 KMYJFVJXSRPFPF-SKDRFNHKSA-N 240.347 2.641 30 20 BFED CCC(C=NOCCOC)(CC)CC 814864940 MJFKBPQYFMWSQS-UHFFFAOYSA-N 201.310 2.852 30 20 BFED C1CC[C@@H](ON=C2CC[C@H]2C2CC2)OC1 814887728 LZOYYHVCEXKCNR-CMPLNLGQSA-N 209.289 2.706 30 20 BFED CC(=NNCC(C)C)c1ccc(C)nc1C 814892211 OLUABJBPRBXDSE-UHFFFAOYSA-N 219.332 2.668 30 20 BFED CCOC1CC(=NNc2cc(Cl)ccn2)C1 814898897 WJXCNQCGLYKQKU-UHFFFAOYSA-N 239.706 2.702 30 20 BFED C=CCC(F)(F)C(=O)N1C[C@@H](C)S[C@H](C)C1 815712727 YOJXZAHDJIKIFK-RKDXNWHRSA-N 249.326 2.550 30 20 BFED C=CCCCCC[C@H](C)NC[C@@H](N)C1CC1 817964594 CTYZMYRHKREDQK-GXTWGEPZSA-N 224.392 2.838 30 20 BFED CCCCC[C@H](/N=C\c1ccccc1O)C(=O)O 829311830 MODUJTRWAWLTJC-GQVHDAKQSA-N 249.310 2.845 30 20 BFED C#CC1CCN(Cc2cccc(C(C)=O)c2)CC1 830351005 LFEZTFKKSPJISQ-UHFFFAOYSA-N 241.334 2.734 30 20 BFED C=CCCCOC(=O)c1cccc(SC)n1 830976157 GIPLQYMYLXIEOJ-UHFFFAOYSA-N 237.324 2.927 30 20 BFED C#CCC(C)(C)c1nc(-c2ncc(C)s2)no1 834874560 BBZRMXGCHQVCNX-UHFFFAOYSA-N 247.323 2.802 30 20 BFED CC[C@H](C)CC=Nn1c(C)cc(C)c(C#N)c1=O 834932639 HQPKLAFIXXROGC-JTQLQIEISA-N 245.326 2.607 30 20 BFED CC[C@@H](O)CNN=C1CCCC12CCCCC2 834981081 XKOLCLFFWBGHSA-GFCCVEGCSA-N 238.375 2.837 30 20 BFED C#CCNN=C1CCC[C@@H]1CCC(C)C 835007631 ANYPZYNILHPLIX-GFCCVEGCSA-N 206.333 2.802 30 20 BFED C[C@@H]1CCC(=NN[C@H]2CCOC2(C)C)C[C@H]1C 835016250 JEVIARQXPGVLCA-WZRBSPASSA-N 238.375 2.956 30 20 BFED CC[C@](C)(C#N)C(=O)OCC1CC(F)(F)C1 835485152 IJPXPRRXLHLNTM-SNVBAGLBSA-N 231.242 2.515 30 20 BFED CS[C@@H](C)CCOC(=O)c1cccc(C#N)c1 835661070 MAHWBVATMPYEAP-JTQLQIEISA-N 249.335 2.857 30 20 BFED C=C(C)CCNC(=O)/C(=C/c1ccccc1)OC 836825270 YMYDHTMSVXKJHH-KAMYIIQDSA-N 245.322 2.756 30 20 BFED C=CCCCCOC(=O)c1cc(C=O)[nH]c1C 837706690 GRLVXISMJBOQAT-UHFFFAOYSA-N 235.283 2.649 30 20 BFED C#CCC[C@@H](C)OC(=O)c1ccc(OC)cc1 839032261 MOHLIEJMHRXUSN-LLVKDONJSA-N 232.279 2.654 30 20 BFED Cc1cccnc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839052391 HSNKNKLMUXYTMP-NEPJUHHUSA-N 244.294 2.629 30 20 BFED C=C(Cl)CN[C@H](C(C)C)C1(CO)CCC1 839609614 OTNVOXKUVWKNJI-LLVKDONJSA-N 231.767 2.516 30 20 BFED Cc1cc(C=NN[C@H]2CCCCC2(C)C)n(C)n1 841635228 HLQNMOPLEQRBLK-ZDUSSCGKSA-N 248.374 2.621 30 20 BFED CNC(=S)N(C)N=C1CCC(C)(C)C[C@H]1C 841646921 BMAAFZXVFIEGLP-SECBINFHSA-N 241.404 2.625 30 20 BFED C=CCOC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 842129004 BYLHGYFKXXXQPM-ZIAGYGMSSA-N 246.306 2.536 30 20 BFED CCN(CCO)N=C1C[C@H](C)c2c(C)cccc21 842537319 WPOWBKLPNIVRSP-LBPRGKRZSA-N 246.354 2.521 30 20 BFED C=C[C@@H](C)ON=Cc1ncc(Cl)s1 844619582 BFAUBJGXPMJFBS-ZCFIWIBFSA-N 216.693 2.722 30 20 BFED C=C(C)CON=C1CCOC2(CCC2)C1 844620330 TWJIDYUYWXCRFQ-UHFFFAOYSA-N 209.289 2.668 30 20 BFED C#Cc1cnc(N[C@@H]2C[C@H]2c2ccccc2C)nc1 845647258 SJPNJMQDOLRZDV-LSDHHAIUSA-N 249.317 2.734 30 20 BFED C#C[C@H](CC)NCc1cccc2c1CCC2 845971519 HSCGVEUKNHLXKT-CQSZACIVSA-N 213.324 2.677 30 20 BFED C#CCN(CC#N)Cc1ccccc1C1CC1 846887891 FNKYHADJXPRQRC-UHFFFAOYSA-N 224.307 2.523 30 20 BFED C=CC[C@@H]1CCCN(C(=S)NC(C)C)C1 849279967 MXZPNGQGJUVMOP-LLVKDONJSA-N 226.389 2.557 30 20 BFED C=CCC1(NC(=O)NOCC(C)C)CCCC1 853887567 HLJRSQNFBRYBIG-UHFFFAOYSA-N 240.347 2.762 30 20 BFED Clc1cnc(NN=C2CCC[C@@H]3C[C@H]23)nc1 857220770 MXQVRMRIUZIJRZ-APPZFPTMSA-N 236.706 2.718 30 20 BFED C#CCCOC(=O)N[C@@H](CCC)c1ccccn1 858946791 UJVHWCZNZAEWRC-ZDUSSCGKSA-N 246.310 2.672 30 20 BFED C=C(Cl)CNC(=O)OCCc1ccccc1 858995607 IIMKIYHMECLKAZ-UHFFFAOYSA-N 239.702 2.708 30 20 BFED C=CCCCCOC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 860136161 XTDHONYYNKUVEX-NDBYEHHHSA-N 240.343 2.945 30 20 BFED C=CCCCOC(=O)c1cn2cc(C)ccc2n1 860301067 XEOCLUUDKUULQY-UHFFFAOYSA-N 244.294 2.766 30 20 BFED CC(=NN1CCOC1=O)c1csc(Cl)c1 863163159 REABQWSEBQQRLX-UHFFFAOYSA-N 244.703 2.578 30 20 BFED C=C(C)CNc1ccccc1NC(C)=O 863354123 AMLSMYSLQWAZFN-UHFFFAOYSA-N 204.273 2.633 30 20 BFED CCCCCCCNC[C@H](OC)[C@H]1CCOC1 876898273 QRJQDPSGMDKPBM-KBPBESRZSA-N 243.391 2.598 30 20 BFED C=CC(C)(C)CC(=O)NCCCSCC 879873702 GIOFVZRQRZUBTE-UHFFFAOYSA-N 229.389 2.848 30 20 BFED Cc1c(C#N)c(N2C[C@@H]3C[C@H]3C2)nc2ccccc12 884591584 VDZDQKLWUURULS-RYUDHWBXSA-N 249.317 2.871 30 20 BFED C#CCSCC(=O)N(C)c1ccc(C)c(C)c1 888312945 RUASDWPNZKMPDI-UHFFFAOYSA-N 247.363 2.633 30 20 BFED CCC#CCOC(=O)c1cccnc1C1CC1 893841161 REBGRYNLHRWQSG-UHFFFAOYSA-N 229.279 2.529 30 20 BFED C#Cc1ccc(C(=O)NCC2(CC)CC2)cc1 896866373 MGENVVBARMZBPO-UHFFFAOYSA-N 227.307 2.588 30 20 BFED CC#CCN(C)Cc1c(O)cccc1Cl 897167319 YHQQLUYJMMQQQX-UHFFFAOYSA-N 223.703 2.501 30 20 BFED CCCSCC(C)=NNCCOC(C)C 901216129 WYJSIPZAUCPZCN-UHFFFAOYSA-N 232.393 2.520 30 20 BFED C=CC[C@H](CC)NCc1ccc(/C=C/C(=O)O)o1 902262360 IQSZOBMWUCEFLA-FBOQAHMBSA-N 249.310 2.822 30 20 BFED C[C@H]1CCCC[C@H]1NC(=O)c1ccsc1C#N 905091148 DQCPRLZKZPXURR-GXSJLCMTSA-N 248.351 2.928 30 20 BFED C=CC[S@](=O)CCCOc1ccc(F)cc1 905228333 TYJGMVOKZDHUJM-INIZCTEOSA-N 242.315 2.529 30 20 BFED C=CCCC[C@@H](N)C(=O)Nc1ccc(CC)cc1 911939443 WXGKRHFVJGXSQX-CQSZACIVSA-N 246.354 2.871 30 20 BFED CC(C)=C(C)C(=O)NCCC#C[Si](C)(C)C 912334936 WROHRHPGHBECID-UHFFFAOYSA-N 237.419 2.730 30 20 BFED CC(=NNc1cnccn1)c1cc(C)sc1C 912961757 NHEYPQKZPUNKNC-UHFFFAOYSA-N 246.339 2.991 30 20 BFED CCCSCC(=O)OCc1cccc(C#N)c1 917333653 BFHXYVMADKJALE-UHFFFAOYSA-N 249.335 2.745 30 20 BFED C=C(Cl)CNCc1ccc(OC)cc1C 921757446 PCUMTXFKULASMP-UHFFFAOYSA-N 225.719 2.846 30 20 BFED C=CC[C@H](CC)NC(=O)[C@H](C)c1cccc(O)c1 935798718 HIMQDBDLVMELSX-YPMHNXCESA-N 247.338 2.967 30 20 BFED CC[C@@H](C)CN(C)c1cccc(CC#N)n1 1116662178 RSYILIUCNNSHCM-LLVKDONJSA-N 217.316 2.630 30 20 BFED C=CCN(C)CCc1ccc(F)cc1F 1116695696 GAWBHWDCYYKLKJ-UHFFFAOYSA-N 211.255 2.625 30 20 BFED Cc1cc(NCc2ccsc2)ncc1C#N 1162153448 VVEFXWVUGQYJCF-UHFFFAOYSA-N 229.308 2.935 30 20 BFED N#Cc1ccc(CCSc2nncs2)cc1 1164556438 APPARMHRTRWMAZ-UHFFFAOYSA-N 247.348 2.745 30 20 BFED C=CCCC(=O)Nc1cnc(Cl)cc1C#N 1321618425 HLEHKHPOOHHDTH-UHFFFAOYSA-N 235.674 2.511 30 20 BFED O=C(C#Cc1cccs1)NCC1=CCCCC1 1324576909 RSCIJHRJQRQCQE-UHFFFAOYSA-N 245.347 2.716 30 20 BFED N#Cc1cc(C(=O)N2CCCC3(CC3)C2)cs1 1324720031 HFTOOJFPOVLPOV-UHFFFAOYSA-N 246.335 2.636 30 20 BFED C=C[C@@H](COC)N[C@H](C)Cc1ccccc1F 1326033159 VXUXDWYTJNAQIQ-YPMHNXCESA-N 237.318 2.547 30 20 BFED CC[C@@H](C)CCNc1cccc(CC#N)n1 1327693300 VZJVFXKXJJOMNB-LLVKDONJSA-N 217.316 2.996 30 20 BFED C=C(C)CCN[C@](C)(C(=O)OC)c1ccccc1 1327854015 RJDNBSJZMAYONP-HNNXBMFYSA-N 247.338 2.631 30 20 BFED C#CCSCC(=O)N[C@H](CCC)C(C)(C)C 1333268452 GOSCBRUPFHGOFE-LLVKDONJSA-N 241.400 2.684 30 20 BFED C=C1CCN(c2nnc([C@@H](C)C(C)C)n2C)CC1 1339502847 OVQZHIZRIDNCKX-LBPRGKRZSA-N 248.374 2.731 30 20 BFED N#Cc1cc(C(=O)NCC2(C3CC3)CC2)cs1 1344111530 NAYHOSQGTAPONE-UHFFFAOYSA-N 246.335 2.540 30 20 BFED C=C(CC)C(=O)NCCc1ccc(CC)cc1 1346004536 OBXDFLHEPSVLKB-UHFFFAOYSA-N 231.339 2.874 30 20 BFED C=C(CC)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 1346695981 PDGBNYKZZSTYLU-RRFJBIMHSA-N 241.334 2.797 30 20 BFED C=C1CCC(C(=O)NCCC(F)F)CC1 1349693359 LDJGVFFDSMQKTJ-UHFFFAOYSA-N 217.259 2.504 30 20 BFED C=C(C)CCC(=O)NC[C@@H](CCO)CC(C)C 1353610778 PUARQVDFURLCTP-ZDUSSCGKSA-N 241.375 2.504 30 20 BFED N#Cc1cc(C(=O)NCc2ccsc2)cs1 1354104529 FZHTVOLQHYFCCO-UHFFFAOYSA-N 248.332 2.611 30 20 BFED C#CCCCCC(=O)N1CC[C@@H]1C(C)(C)C 1355144252 NAMWDOGZEUNNAS-GFCCVEGCSA-N 221.344 2.827 30 20 BFED C=C[C@H](CC)CC(=O)OC[C@H]1CC1(F)F 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C=CCCCn1ccc(C(F)(F)F)n1 125678367 QTXGVZSFFKLXSB-UHFFFAOYSA-N 204.195 2.868 30 20 BFED C=CCCC(=O)N(C)c1ccc(OC)cc1OC 127421842 DGSXSLHXZMPKNV-UHFFFAOYSA-N 249.310 2.633 30 20 BFED CCOC(COc1cc(C#N)ccc1C)OCC 127814770 CFNPMNQEGQTPFO-UHFFFAOYSA-N 249.310 2.645 30 20 BFED C=CCSCCN[C@H](C)c1ccc(F)cn1 129363269 MIZCPWYAZWTEHK-SNVBAGLBSA-N 240.347 2.791 30 20 BFED CC(C)(C)CCNc1ccnc(C#N)c1 130057249 CXPTUPZDTOTFCA-UHFFFAOYSA-N 203.289 2.801 30 20 BFED CC[C@@H](C)Oc1ccc(NC(=O)CC#N)cc1 133078067 UAABZCPYGWHPCS-SNVBAGLBSA-N 232.283 2.716 30 20 BFED C#CCSCCN[C@H]1CCCC[C@@H]1CC 134648876 FQVPVUCUSYCJJY-STQMWFEESA-N 225.401 2.911 30 20 BFED C=C[C@](C)(CC)C(=O)Nn1cnc2ccccc21 134915211 SZJYJPZPOCEVDA-CQSZACIVSA-N 243.310 2.709 30 20 BFED N#Cc1csc(CNC2CCSCC2)c1 135492566 BMOGLZVHSWNXJF-UHFFFAOYSA-N 238.381 2.605 30 20 BFED CC(C)(C#N)CCCn1ccc(=O)cc1Cl 135507458 CVPIOJKDEZZXDW-UHFFFAOYSA-N 238.718 2.832 30 20 BFED CC[C@H](C#N)NC(=O)CCCSC(C)(C)C 151781257 WXWCKXNCXZUPSC-SNVBAGLBSA-N 242.388 2.717 30 20 BFED C=C[C@H](C)NC(=O)c1cc(C)c2ccccc2n1 154169001 YVGPRJLFNUOVGH-NSHDSACASA-N 240.306 2.848 30 20 BFED C#CCN(CC1CC1)C(=O)c1ccc(C)cc1C 156800774 BIKMFFJAYQLMIZ-UHFFFAOYSA-N 241.334 2.789 30 20 BFED C=CC[C@@H](C)N[C@@H](C)c1ccc(F)cn1 161668039 CCIJOAIJAGZUHL-ZJUUUORDSA-N 208.280 2.836 30 20 BFED C=CCCC(=O)NC1[C@@H](C)CCC[C@@H]1C 171429776 NJVHBEDRWDEPKS-QWRGUYRKSA-N 209.333 2.894 30 20 BFED C=C(C)CN(C)CCCC(=O)OC(C)(C)C 172566840 CRGCFNZFLDYOBF-UHFFFAOYSA-N 227.348 2.616 30 20 BFED C[C@@H](O)[C@@H](C)SCCCC(C)(C)C#N 177323919 XAMDZXPTNZVEBX-NXEZZACHSA-N 215.362 2.819 30 20 BFED CN(C)[C@@H]1CCC[C@@H](/N=C/c2ccccc2O)C1 178704091 XYIUXFMEDGNTKM-JKSCSLPYSA-N 246.354 2.684 30 20 BFED C=C(C)CN(C)C(=O)/C=C/c1cccs1 180441775 MZRVZFZZNBBYOE-VOTSOKGWSA-N 221.325 2.796 30 20 BFED C=CCN[C@@H](C)c1cccc(N2CCCC2=O)c1 181415333 ONSRMSCSHJHECV-LBPRGKRZSA-N 244.338 2.650 30 20 BFED C=CCCC[C@H](C)N[C@@H]1CCN(C)[C@H](C)C1 182183827 UVXYSHYZOQULCB-BFHYXJOUSA-N 224.392 2.804 30 20 BFED CC#CCNc1ccc(OCC)cc1C 182303409 OUPWBQCSFTTWHC-UHFFFAOYSA-N 203.285 2.829 30 20 BFED C=CCOc1cccc(CNC[C@@H](C)C#N)c1 183813554 VPCKAMCYSTYMBN-LBPRGKRZSA-N 230.311 2.501 30 20 BFED C=CCNC(=O)[C@@H](C)SCC/C=C/CC 185716740 PJMCTVHWMDUJRG-XUIVZRPNSA-N 227.373 2.767 30 20 BFED C#CCN(C)C(=O)C[C@H](C)c1ccccc1C 191120898 POCDYVNZTSXMLR-ZDUSSCGKSA-N 229.323 2.580 30 20 BFED CC#CCN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 192019644 HVJALQYGXZRMCW-ZIAGYGMSSA-N 249.741 2.783 30 20 BFED C=CC[C@@H](C)[C@H](C)NCCCOC(F)F 194035061 XGKJTZFMHXKFEW-ZJUUUORDSA-N 221.291 2.806 30 20 BFED C=C(C)CN(C)c1ccc(C(C)=O)cc1 219303229 UBVMERHAKPVZPP-UHFFFAOYSA-N 203.285 2.902 30 20 BFED CC[C@@H](C)N(C)Cc1cccc(C#N)c1F 223563681 TXXUWZRRHYYSSP-SNVBAGLBSA-N 220.291 2.928 30 20 BFED C=C[C@@H](C)Nc1c(F)c(F)nc(F)c1F 229059799 CDOIFDBLRWSWIY-SCSAIBSYSA-N 220.169 2.624 30 20 BFED Cc1ccc(C#N)cc1OCC1(CC#N)CC1 232319269 HDLWADOEQZOGPI-UHFFFAOYSA-N 226.279 2.939 30 20 BFED N#Cc1ccccc1/C=C\C(=O)OCC1CC1 255289345 BCNFVYSIQJIIMK-FPLPWBNLSA-N 227.263 2.525 30 20 BFED C#CCCCOC(=O)/C=C\c1cccc(F)c1 255424758 RDEJLGRUVYRHDD-HJWRWDBZSA-N 232.254 2.796 30 20 BFED N#Cc1cccc(/C=C\C(=O)c2ccncc2)c1 255543571 WBHOFRVTXMPEKK-PLNGDYQASA-N 234.258 2.849 30 20 BFED N#CCCC1CCN(C[C@@H]2CCSC2)CC1 259968573 JUSYNFARJKYNOS-ZDUSSCGKSA-N 238.400 2.755 30 20 BFED C=CCCCn1cccc(C(F)(F)F)c1=O 265301693 GHBRGGDGTJOYOX-UHFFFAOYSA-N 231.217 2.833 30 20 BFED COC[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C1 265842861 WZNVUKGFRPRYQF-GXTWGEPZSA-N 244.338 2.588 30 20 BFED CC[C@@H](NC(=O)c1cc(C#N)cs1)C(C)C 267642910 RNERVJNDIVHVGI-SNVBAGLBSA-N 236.340 2.784 30 20 BFED C/C=C(/C=C/C(=O)N(CC#N)CCC)CC 268787056 SIWBWFVOZVJRPL-FUSVFIKZSA-N 220.316 2.661 30 20 BFED N#CCCCNC(=O)c1ccc2c(c1)CCCC2 272983583 DIXZYXPKFRJBQB-UHFFFAOYSA-N 242.322 2.599 30 20 BFED C=CCCCCNC(=O)c1ccc2[nH]cnc2c1 274662179 PXGFLLMYDCQBAE-UHFFFAOYSA-N 243.310 2.649 30 20 BFED C=CCCN(C)Cc1cn2cc(C)ccc2n1 276348213 DBXHIVZYAQOFDX-UHFFFAOYSA-N 229.327 2.651 30 20 BFED CC#CC(=O)N1CCC[C@@H]1c1cccc(C)c1C 277598358 GSUZNWLWVZBWTC-OAHLLOKOSA-N 241.334 2.990 30 20 BFED C=CC[C@H](CC)NC(=O)c1ccc(C(C)=O)cc1 281355614 MKMNIWQJNLISDD-AWEZNQCLSA-N 245.322 2.974 30 20 BFED C#C[C@@H](NC(=O)c1ccc(F)cc1C)C(C)C 282060683 MNGIPDCGBRTDQD-CYBMUJFWSA-N 233.286 2.522 30 20 BFED Cc1ccc(C#N)c(N[C@H]2CCC2(C)C)n1 286438421 OAZNSVQREDPWLI-NSHDSACASA-N 215.300 2.862 30 20 BFED CC(C)(C#N)CCn1cnc(-c2ccccc2)n1 288513573 BGYCLMVYMOADQR-UHFFFAOYSA-N 240.310 2.885 30 20 BFED Cc1cnccc1CN(CCC#N)CC1CC1 294793668 KVSQKLXPERDWAC-UHFFFAOYSA-N 229.327 2.516 30 20 BFED Cc1sccc1C(=O)N(CC#N)C1CCCC1 295067449 UNIIUOWUJBWWOU-UHFFFAOYSA-N 248.351 2.965 30 20 BFED CC(C)=CCCNC(=O)[C@@]1(C#N)CC12CCCC2 295407260 MNCCLMHPSRJOKK-HNNXBMFYSA-N 246.354 2.933 30 20 BFED C=C(CN[C@H]1CCn2ccnc21)c1ccccc1 297537859 DWWNKLIQZDSFOD-AWEZNQCLSA-N 239.322 2.631 30 20 BFED C#CCO[C@@H](C)c1nc(CC2CCCCC2)no1 297544421 FFCDHHQLQPHGLL-NSHDSACASA-N 248.326 2.903 30 20 BFED C/C(=C\C(=O)N(C)[C@@H](C)C#N)c1ccc(F)cc1 297845630 RPJHTYGKBKPJJG-UQSGXBNBSA-N 246.285 2.599 30 20 BFED CC(C)N(CCC#N)Cc1ccc(N(C)C)cc1 298756040 YGOIAURRDNGVCD-UHFFFAOYSA-N 245.370 2.877 30 20 BFED CC[C@H](C)C[C@H](C)Nc1ccc(C#N)nn1 301967366 LHXVOGGRNQFBFV-UWVGGRQHSA-N 218.304 2.585 30 20 BFED CC1(C#N)CCN(C(=O)OC2CCCC2)CC1 302707433 XGBLJLKDFZPVNB-UHFFFAOYSA-N 236.315 2.691 30 20 BFED C[C@@H]1OCC[C@@H]1Sc1c(C#N)cccc1C#N 302763961 LABHFUJQSXVFCQ-CABZTGNLSA-N 244.319 2.699 30 20 BFED CCCCCCCCN/C(N)=N/CC1CC1 303787242 SIIPWIAPZGJXBL-UHFFFAOYSA-N 225.380 2.661 30 20 BFED CCCCN/C(N)=N/C[C@@H]1CCCC[C@@H]1C 303893691 SCGPKDPJEPJWON-RYUDHWBXSA-N 225.380 2.517 30 20 BFED CCC#C[C@@H](C)Sc1nnc(C)s1 307192914 MPNPILJZLTVWNM-SSDOTTSWSA-N 212.343 2.741 30 20 BFED CCc1nc(C#N)cc(NCC2(C3CC3)CC2)n1 308172021 USLWDEPNRYURIC-UHFFFAOYSA-N 242.326 2.513 30 20 BFED C#C[C@H](CC)N[C@H]1CS[C@@H](C(C)C)C1 308620968 TVZTXSRQQQUNLH-IJLUTSLNSA-N 211.374 2.518 30 20 BFED C=CCC[C@H](CCC)N[C@@H](C=C)COC 309209237 SNLBSXHOEDQDLH-STQMWFEESA-N 211.349 2.912 30 20 BFED C[C@H](CC#N)NC(=O)C(C1CCC1)C1CCC1 310148000 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CCN(CCc1ccccn1)[C@H](C)CCC#N 839508120 DCNOFPYWOWZFQU-CYBMUJFWSA-N 231.343 2.638 30 20 BFED C#C[C@@H](NCc1ccc(N(C)C)cc1C)C(C)C 840945003 UFAMMTBDEJXCEI-MRXNPFEDSA-N 244.382 2.808 30 20 BFED COc1ccc(CC(C)=NOC2CCCC2)cn1 841631700 QGNAISGQFJQZOZ-UHFFFAOYSA-N 248.326 2.968 30 20 BFED CC(C)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842939829 TVXPXICHMDZSFQ-VIFPVBQESA-N 234.324 2.853 30 20 BFED C=C[C@H](C)ON=Cc1ccc2c(c1)CCN2C 844622385 YLEGILBFVTZFKK-NSHDSACASA-N 230.311 2.604 30 20 BFED C=C[C@H](C)ONC(=O)[C@@H]1CCCC[C@@H]1CC 846554448 IUYCBUDNYHQIIW-SDDRHHMPSA-N 225.332 2.825 30 20 BFED C=CC[C@@H]1CCCN(C(=S)NCC(=C)C)C1 849279622 BTBQLOZLXHSTKX-GFCCVEGCSA-N 238.400 2.725 30 20 BFED C=C(Cl)CNc1cc(CO)ccc1C 849317647 YWFPFBPSHPICNY-UHFFFAOYSA-N 211.692 2.652 30 20 BFED N#C[C@H](OC(=O)CCCF)C1CCCCC1 850195613 VZNWUTFWDSZWOK-NSHDSACASA-N 227.279 2.752 30 20 BFED C#C[C@@H](C)OC(=O)[C@@]1(c2ccccc2)CC1(C)C 850856950 JLVLPKBTUQMJTG-WBMJQRKESA-N 242.318 2.919 30 20 BFED C#CCCCC(=O)OCCSc1ccccn1 851131541 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C#CCON=C1CCCc2c(F)cccc21 872375005 QDTHSMRAXULPEB-UHFFFAOYSA-N 217.243 2.516 30 20 BFED C=C(C)CCN1CCC[C@H](CCC(=O)OC)C1 880041311 JGDDISCHPSRCSK-CYBMUJFWSA-N 239.359 2.618 30 20 BFED c1cnc2c(c1)CCC2=NN[C@@H]1C[C@H]2CC[C@H]1C2 884445814 XSDQNSZSDHCWHW-VHRBIJSZSA-N 241.338 2.510 30 20 BFED C=CC(C)(C)CC(=O)OCCCN1CCCC1 884649344 ALXQECSXEBAERH-UHFFFAOYSA-N 239.359 2.618 30 20 BFED C[C@H](C#N)CNC/C=C/c1cccc(F)c1 894452634 ISDMSYJJYGXPFI-JOAKQRRISA-N 218.275 2.588 30 20 BFED C#Cc1cncc(-c2noc(C3(C)CCC3)n2)c1 896564564 QIRAQNKBTZTXMX-UHFFFAOYSA-N 239.278 2.555 30 20 BFED C=C1CC(c2noc(-c3ccnn3CCC)n2)C1 896874319 KXMJYSHTFOUJME-UHFFFAOYSA-N 244.298 2.777 30 20 BFED N#C[C@@H](SCc1ccncc1)C1CC1 901629655 AYXNINNJUADIEV-LLVKDONJSA-N 204.298 2.617 30 20 BFED Cc1ccc2c(c1)[C@@H](NCC1(C#N)CC1)CC2 903102129 SPGWJFNKNZMTOE-AWEZNQCLSA-N 226.323 2.876 30 20 BFED C=C[C@@H](CC)CC(=O)O[C@@H](C)c1noc(C)n1 904884892 HRJPLWQCKWMFCE-WPRPVWTQSA-N 238.287 2.585 30 20 BFED CSc1ccc(CCC(=O)O[C@H](C)C#N)cc1 910199411 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2.637 30 20 BFED C=C(C)CCC(=O)N[C@H]1c2ccccc2O[C@@H]1C 1262624194 AFWLPAQCAKGVRB-IAQYHMDHSA-N 245.322 2.981 30 20 BFED Cn1ccc(NN=C2CCC(C(F)F)CC2)n1 1321351301 ZNFIQBUNAYHRLK-UHFFFAOYSA-N 242.273 2.643 30 20 BFED C=CCOc1cccc(NC(=O)[C@@H]2C[C@H]2F)c1 1336856362 WUCFQNMQFWWVGH-VXGBXAGGSA-N 235.258 2.548 30 20 BFED C=C(C)CCC(=O)NCCCCCCC(C)=O 1337268616 KPYZFUWDRUQZTI-UHFFFAOYSA-N 239.359 2.998 30 20 BFED CC[C@@H](C)CCC(=O)N(CC)[C@@H](C#N)CC 1337581065 QIZYKLJFKHNTNO-VXGBXAGGSA-N 224.348 2.963 30 20 BFED C=CCn1c([C@@H]2C[C@H]2C)nnc1N(C)C1CCC1 1339581638 XYLVDWHFICHEEZ-ZYHUDNBSSA-N 246.358 2.576 30 20 BFED N#CCCCCCC(=O)N[C@@H]1CCC[C@@H](F)C1 1349430823 UILFTOVAVKRRNB-VXGBXAGGSA-N 240.322 2.857 30 20 BFED C=C(CC(C)C)C(=O)Nn1cnc2ccccc21 1350851553 ZRERPNJIDGBMME-UHFFFAOYSA-N 243.310 2.709 30 20 BFED CC(C)(C#N)CC(=O)N1CC[C@@H]1C(C)(C)C 1515114748 OLBYMIQLQPKEBT-SNVBAGLBSA-N 222.332 2.573 30 20 BFED C=C(CC)C(=O)N[C@H](C)COc1ccccc1 1527474704 PFWGZIHFTOTHEM-GFCCVEGCSA-N 233.311 2.536 30 20 BFED C=C(C)CCC(=O)Nc1cccc(C(=O)O)c1 1573327040 AZSWYHLEHZLQKF-UHFFFAOYSA-N 233.267 2.680 30 20 BFED C#Cc1ccc(NCCC(C)(C)C(=O)O)cc1 1588518045 NZKXGHOFINSBQK-UHFFFAOYSA-N 231.295 2.581 30 20 BFED Cc1ccc(NN=C[C@@H]2C[C@H]2C)cc1C(=O)O 1610509942 UCAJBLTXYDJNLG-ZJUUUORDSA-N 232.283 2.747 30 20 BFED C=CCCCCCN1CCC(C)(C)[C@@H]1C(=O)O 1776173415 TVNPRRQEXNIIAJ-LBPRGKRZSA-N 239.359 2.918 30 20 BFED C=CCCCCN1CCC[C@@H]1C(C)(C)C(=O)O 1776174818 AGZFQMHBEMJYCP-GFCCVEGCSA-N 239.359 2.918 30 20 BFED C=CCN(CCC(=O)O)C[C@@H](C)CC(C)C 1776178142 MWARJLXAKMSQRI-LBPRGKRZSA-N 227.348 2.631 30 20 BFED C=CCN[C@@H](c1ccccc1)c1ccccn1 19875808 NSTPWKMIJUVADB-HNNXBMFYSA-N 224.307 2.947 30 20 BFED CC[C@H](C)N(C)CCOc1cccc(C#N)c1 34674618 DQFKMPVQRNMSQK-LBPRGKRZSA-N 232.327 2.667 30 20 BFED N#Cc1cccc(CNc2nccs2)c1 37502177 POQNOFGMEAADGF-UHFFFAOYSA-N 215.281 2.627 30 20 BFED Cc1cc(C)c(C#N)c(N2CCCC[C@@H]2C)n1 40418588 RCHWROGFAQPZCH-LBPRGKRZSA-N 229.327 2.949 30 20 BFED C[C@@H](NC[C@H]1CCC=CO1)c1ccc(C#N)cc1 50268359 CSCHRTKXMIEYDK-IUODEOHRSA-N 242.322 2.902 30 20 BFED C=C(C)CN(CC)C(=O)CN(CC)CCCC 52877709 QUEAHWSXKRXLON-UHFFFAOYSA-N 240.391 2.533 30 20 BFED CC[C@@H](CC#N)NC(=O)c1cc(C)ccc1C 54177668 SRQCJYOQYCESBO-LBPRGKRZSA-N 230.311 2.726 30 20 BFED C=C(C)CN(CC)C(=O)c1cnn(C(C)(C)C)c1 58833898 LGVGDROWIGUAFK-UHFFFAOYSA-N 249.358 2.676 30 20 BFED C=C(C)CN(CC)C(=O)Nc1cccc(C#N)c1 59373381 JUFILRZXZVCPQP-UHFFFAOYSA-N 243.310 2.988 30 20 BFED C=CCCOc1cc(Cl)ccc1C(=O)O 62787729 ZPCGKBGLNNHSDU-UHFFFAOYSA-N 226.659 2.993 30 20 BFED C[C@H](c1ccccc1)N1CCC[C@H](C#N)C1 79828166 HFYTWEJPEQNOHX-CHWSQXEVSA-N 214.312 2.983 30 20 BFED C=CCN1CCO[C@@H](c2ccc(Cl)s2)C1 80657303 RLLQQPZZTOUCRS-SECBINFHSA-N 243.759 2.961 30 20 BFED Cc1ccc2c(c1)N(CCCC#N)C[C@@H](C)O2 81571336 LKVAMCXQKMTMLN-GFCCVEGCSA-N 230.311 2.886 30 20 BFED CC[C@H](C#N)OC(=O)c1sccc1C 84708728 UBKAAYOKGOZZDJ-MRVPVSSYSA-N 209.270 2.516 30 20 BFED C#CCNc1c(F)cccc1Br 85280914 NFKZCCYJCIEDIP-UHFFFAOYSA-N 228.064 2.633 30 20 BFED C[C@H](CCCO)Nc1ccc(Cl)cc1C#N 87360370 QVPDQWCIRGBXQX-SECBINFHSA-N 238.718 2.785 30 20 BFED C#CCCN(C)[C@H](C)Cc1ccccc1OC 88202991 HHNLFQNNBUXIIX-CYBMUJFWSA-N 231.339 2.581 30 20 BFED C=CCN(CC=C)Cc1cc(C(=O)OC)c(C)o1 98072193 RZMBZBVOFIUCRV-UHFFFAOYSA-N 249.310 2.549 30 20 BFED N#Cc1ccc(Cl)cc1NCC[C@H]1CCNC1 104360785 HIUCHYHDXRTWJD-SNVBAGLBSA-N 249.745 2.623 30 20 BFED CCCC[C@@H](CC)CC(=O)N(CC)CC#N 117136567 XZVXVYKADZSXNM-GFCCVEGCSA-N 224.348 2.965 30 20 BFED C[C@@H](C#N)SC1=Nc2ccccc2C1 118606373 IADBTGRDRWIRKH-QMMMGPOBSA-N 202.282 2.918 30 20 BFED C=CCOC(=O)c1ccc(Cl)c(OC)c1 119701123 KQFSDSNGXXSJNM-UHFFFAOYSA-N 226.659 2.691 30 20 BFED C=C(C)COCCNC(=O)C[C@@H](C)C(C)(C)C 125977911 LVMGAXNHUREORF-GFCCVEGCSA-N 241.375 2.768 30 20 BFED C=C(C)CN(CC)[C@H](CCCC)C(=O)OC 152546582 HVPDAGQIGOSKJZ-GFCCVEGCSA-N 227.348 2.616 30 20 BFED COc1ccc2nc(N(C)CCC#N)ccc2c1 152871180 SOSUTLZSWTYXHJ-UHFFFAOYSA-N 241.294 2.593 30 20 BFED C=C(C)CNC(=O)c1cnn(C(CC)CC)c1C 153046663 LWRNJPKHMPPVHN-UHFFFAOYSA-N 249.358 2.859 30 20 BFED C#CCN(CC1CC1)C(=O)c1sccc1CC 156769396 RPIWQCUAWRHTTA-UHFFFAOYSA-N 247.363 2.796 30 20 BFED CC(C)(C#N)N1CC[C@H](c2ccccc2)C1 160733413 VSCMQEUBXPNQQI-ZDUSSCGKSA-N 214.312 2.778 30 20 BFED CCN(C(=O)Nc1ccc(F)c(C#N)c1)C(C)C 171402433 UNYIABZRMURSLP-UHFFFAOYSA-N 249.289 2.960 30 20 BFED N#CCCCC/N=C/c1ccccc1O 171417235 GNYQAROGGXSOAP-GXDHUFHOSA-N 202.257 2.505 30 20 BFED C[C@H]1C[C@@H]1C(=O)OCC#Cc1ccc(Cl)cc1 177891726 WEXOQYOAZXKQJH-GWCFXTLKSA-N 248.709 2.891 30 20 BFED C#CCCCCNc1nc(C)ccc1[N+](=O)[O-] 178257639 DDCCQCORMCAELQ-UHFFFAOYSA-N 233.271 2.514 30 20 BFED C#CCCCCC(=O)Nc1cc(CCCC)n[nH]1 179814240 JBELEIMCGWMLDF-UHFFFAOYSA-N 247.342 2.884 30 20 BFED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1C 181400984 YEOIEACLVJMBPK-RYUDHWBXSA-N 224.348 2.925 30 20 BFED C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)C[C@@H](C)O 181791210 NBKHJGPCAONQJG-XQQFMLRXSA-N 246.354 2.616 30 20 BFED CC(C)=CC(=O)Nc1ccccc1O[C@@H](C)C#N 182025709 LMIOEPHVMOAVEH-NSHDSACASA-N 244.294 2.882 30 20 BFED C=CCCC[C@H](C)NC(=O)NCc1ccco1 183500807 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30 20 BFED CCC[C@@H]1[C@@H](C)CCCN1C(=O)C#CC1CC1 837441422 WVXWHHSMGRHEMC-GXTWGEPZSA-N 233.355 2.827 30 20 BFED CSc1ccccc1COC(=O)C#CC1CC1 838366697 KUGDHEHNTZXPGT-UHFFFAOYSA-N 246.331 2.865 30 20 BFED CC(C(=O)N(C1CC1)C1(C#N)CCC1)=C1CCC1 839331544 NDLAVCCOBLIBAY-UHFFFAOYSA-N 244.338 2.924 30 20 BFED C#CCCCCCC(=O)N[C@H]1CS[C@@H](C)C1 839830635 OUDPGMJZQUIDNU-NWDGAFQWSA-N 239.384 2.580 30 20 BFED CCC(=NNc1ccc(C(=O)O)cn1)[C@H]1C[C@@H]1C 841631799 KVOQZYUUGNBXEC-WPRPVWTQSA-N 247.298 2.614 30 20 BFED CCC(C=NN(C)C[C@@H](C)O)(CC)CC 841650790 MVPKIYPWIJPFAU-LLVKDONJSA-N 214.353 2.501 30 20 BFED C[C@@H]1CC(=NNc2cc(F)c(F)cc2F)CO1 842527600 NUYMHTJEMZXTFO-ZCFIWIBFSA-N 244.216 2.681 30 20 BFED C[C@H]1CCCCCC1=NNCC(F)F 844585962 SESWFOXSYQYLMC-QMMMGPOBSA-N 204.264 2.797 30 20 BFED C=C[C@H](C)ON=Cc1c(C)nc2sc(C)cn12 844622805 BBLLAMXMKVVXRC-QMMMGPOBSA-N 249.339 2.938 30 20 BFED C=C(C)CONC(=O)N[C@@]1(C)CCCC[C@@H]1C 845611305 LRZSKNJICJCSMZ-AAEUAGOBSA-N 240.347 2.762 30 20 BFED 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C#CC[C@H](CCOC)NCCC1CCCCC1 862548915 QNOYXIVHKWIIFK-OAHLLOKOSA-N 237.387 2.975 30 20 BFED CCCC(CCC)=NNc1cc(C)nc(N)n1 872419769 UITKMNWVNFDWTL-UHFFFAOYSA-N 235.335 2.735 30 20 BFED Cc1cc(NN=CCC2CCCCC2)nc(N)n1 872421490 MCKCOEMXJYLPLI-UHFFFAOYSA-N 247.346 2.735 30 20 BFED C#CCCCCCCNCC(C)(C)C[C@H](C)O 877053892 AIMGVZWSMRTWGC-AWEZNQCLSA-N 239.403 2.957 30 20 BFED C=CC(C)(C)CC(=O)N[C@@H](CC)CSC 879383696 CDEFADOAOFBGCV-JTQLQIEISA-N 229.389 2.847 30 20 BFED C=CC(C)(C)CC(=O)OCC(=C)Cl 884648563 BFOXKJMIEPUFJV-UHFFFAOYSA-N 202.681 2.884 30 20 BFED C=C1CCC(C(=O)OCCCc2cnoc2)CC1 893085390 RIWFCXDEFZLHQQ-UHFFFAOYSA-N 249.310 2.897 30 20 BFED Cc1cc(C#N)nc(N2CCC(C3CC3)CC2)c1 893948193 AASAYUBSLCJOSG-UHFFFAOYSA-N 241.338 2.888 30 20 BFED C=C1CCC(C(=O)NCc2ncccc2C)CC1 896181892 VQXXMFUNBBNCIP-UHFFFAOYSA-N 244.338 2.753 30 20 BFED C=CCCCCCN(C)C(=O)[C@H](C)[C@H](O)CC 900796106 VHMAXLYZLOFFLB-CHWSQXEVSA-N 241.375 2.598 30 20 BFED C=C(C)C[C@H](N[C@@H]1CC[C@H](C)[C@H](C)C1)C(=O)O 901678609 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226.364 2.954 30 20 BFED CC(=NOCCC1CC1)[C@@H]1C[C@H]2CC[C@H]1O2 834981906 FAEMHLZHRIWSKN-FRRDWIJNSA-N 223.316 2.747 30 20 BFED C[C@H]1CCCC(=NNc2ccc(C(=O)O)nc2)C1 835006955 MUDFGIZLJPSXBQ-VIFPVBQESA-N 247.298 2.758 30 20 BFED CC(C)(CCC#N)COC(=O)[C@@H]1CC1(F)F 835386401 JUOGSEWCGCRYDB-QMMMGPOBSA-N 231.242 2.515 30 20 BFED C=CC(C)(C)COC(=O)CCc1ccccn1 835722667 HUUFDVZVSDPBHP-UHFFFAOYSA-N 233.311 2.770 30 20 BFED C=C(CC)COC(=O)[C@]1(C#N)CC12CCCC2 837903078 MHJSKKNXSMASRC-CQSZACIVSA-N 233.311 2.970 30 20 BFED CC(=NOCC[C@H](C)O)c1cc2ccccc2o1 842017950 VQROYEPHEFGBDC-JTQLQIEISA-N 247.294 2.944 30 20 BFED C=C(CC)COc1cccc(OCC#N)c1 842108453 NXRVKQHFTHXEDQ-UHFFFAOYSA-N 217.268 2.934 30 20 BFED C#C[C@@H](NC(=O)[C@@H](C)C(C)C)c1ccccc1 843637307 ATIBSLJLRHEXGR-GXTWGEPZSA-N 229.323 2.769 30 20 BFED C=C[C@H](C)ON=C1CCOc2cc(F)ccc21 844623718 FCLNHUNQBCHEEN-VIFPVBQESA-N 235.258 2.903 30 20 BFED C=C[C@H](C)ONC(=O)NCC(C)(C)C1CCC1 845614799 FGOVCQRGOZZIFV-JTQLQIEISA-N 240.347 2.618 30 20 BFED 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SFYJVCYMLYITDL-SNVBAGLBSA-N 232.283 2.574 30 20 BFED C=CCC(C)(C)CNC(=O)[C@](C)(OC)C1CC1 352469947 GRCZRORDNBIIST-CQSZACIVSA-N 239.359 2.520 30 20 BFED C=CCCC1(C(=O)N(C)CC(C)(C)C#N)CC1 353246643 JLHLDONRJZTUJD-UHFFFAOYSA-N 234.343 2.741 30 20 BFED CCCN1CCC[C@@H]1CN[C@@H]1CCC[C@H](C#N)C1 353972476 OASCPAYNGOSDFL-RRFJBIMHSA-N 249.402 2.533 30 20 BFED CCC[C@@](C)(CC)C(=O)N(C)C[C@@H](C)C#N 355041532 RYCXLDQYTOIAEM-WCQYABFASA-N 224.348 2.821 30 20 BFED C=CCN(C(=O)CCCC(F)(F)F)C1CC1 357490449 HIYYOCSACYXOEE-UHFFFAOYSA-N 235.249 2.896 30 20 BFED C=CCN(Cc1nc(C(C)(C)C)no1)C1CC1 357551630 KBUBDIPJNZBIJT-UHFFFAOYSA-N 235.331 2.518 30 20 BFED Cc1cccc(F)c1NC(=O)NCCCC#N 360026695 YAPAPYMLPRDSQG-UHFFFAOYSA-N 235.262 2.559 30 20 BFED CCN(CCCC(C)(C)C#N)C[C@H](C)OC 361574465 XEAYETWFRANWJI-LBPRGKRZSA-N 226.364 2.673 30 20 BFED C#CCC(C)(C)C(=O)N1CC(C)(C)[C@H]1C1CC1 368215185 OENAOJLDVNHDTN-GFCCVEGCSA-N 233.355 2.683 30 20 BFED N#Cc1cccc(C(=O)N2CCC3(CC2)CC3)c1 370874097 XBFGLXNQUSOAHO-UHFFFAOYSA-N 240.306 2.574 30 20 BFED COc1cccc([C@H]2C[C@@H](C)CN2CCC#N)c1 374603762 LNWLGMUUIMPVDN-IUODEOHRSA-N 244.338 2.992 30 20 BFED CC(C)(C#N)CCCN1CCC[C@@H]1c1ncc[nH]1 378494486 WHMOJBGHSXQYDM-GFCCVEGCSA-N 246.358 2.877 30 20 BFED C[C@@H]1C[C@H]1CNc1ccc(OCC#N)cc1 381459903 KRXXHKCVNHXSLL-MNOVXSKESA-N 216.284 2.657 30 20 BFED C=CC(C)(C)CNCc1cnc(C)s1 385085667 ZZPZHAFZAJHREE-UHFFFAOYSA-N 210.346 2.753 30 20 BFED C=C(C)CCNC(=O)c1ccc(F)cc1C 386933971 UIRBTRFJIUNJAY-UHFFFAOYSA-N 221.275 2.830 30 20 BFED C=CC[C@H](C)C(C)=NOCCSC 388229921 LWHVPJFDHQHVSH-VIFPVBQESA-N 201.335 2.954 30 20 BFED C=C[C@@H](C)N[C@@H]1CCc2cccc(O)c21 389982047 JQMMCFXNNMMQFN-MWLCHTKSSA-N 203.285 2.544 30 20 BFED C=CC(C)(C)CNCc1ccc(O)cc1 395372918 GTUPJMMHXYPSSU-UHFFFAOYSA-N 205.301 2.694 30 20 BFED COC(=O)C[C@H](C)SCC1(C#N)CCCC1 405158139 VBCIVCJBCMKCLW-JTQLQIEISA-N 241.356 2.755 30 20 BFED C=C(CC)CNC(=O)c1cc(CC(C)C)c[nH]1 412401865 ICWHTDPNWXDOOT-UHFFFAOYSA-N 234.343 2.909 30 20 BFED COCC[C@@H](C)CNC1CCC(C)(C#N)CC1 414205639 HLTHYYKRPJVBNS-IYXRBSQSSA-N 238.375 2.721 30 20 BFED COCC[C@H](C)CN[C@H](C)c1ccc(C#N)cc1 414213715 YKTNSCHIJNQOJW-QWHCGFSZSA-N 246.354 2.881 30 20 BFED C=C[C@](C)(CC)C(=O)NC[C@H](CC(C)C)OC 416052683 CXGSQYQMYGSERN-GXTWGEPZSA-N 241.375 2.766 30 20 BFED CO[C@H](CN[C@@H]1CCC[C@H](C#N)C1)CC(C)C 417357182 GSMZFRSHXDJOAV-MJBXVCDLSA-N 238.375 2.719 30 20 BFED C=C(CC)CSCc1cn(C)nc1C 419437982 GXLVIVSVXDVXOX-UHFFFAOYSA-N 210.346 2.928 30 20 BFED CC(C)(CCC#N)CNC(=O)[C@]12CCC[C@H]1C2 421556990 NHSQMYDUCTWUAY-FZMZJTMJSA-N 234.343 2.623 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@H]1CCc2cccnc21 425286815 IEPOZVVZVITGMJ-OLZOCXBDSA-N 244.338 2.582 30 20 BFED CC[C@H]1C[C@@H](C)CN1C(=O)N[C@@H]1CC[C@H](C#N)C1 425614945 WUPFESNEGRLOAA-XQHKEYJVSA-N 249.358 2.509 30 20 BFED CCN(CC1CCC1)C(=O)N[C@@H]1CC[C@H](C#N)C1 425842730 AGIHXNSWRWZTQM-QWHCGFSZSA-N 249.358 2.510 30 20 BFED C=C(C)COc1cnn(Cc2ccccc2)c1 432650377 BNGHTLLVURASNL-UHFFFAOYSA-N 228.295 2.886 30 20 BFED Cc1ccnc(N[C@@H](C)c2cncs2)c1C#N 439132425 PZHFHTANRWMIHP-VIFPVBQESA-N 244.323 2.891 30 20 BFED C=CC[C@H](C)[C@H](C)NC[C@](C)(CC)OC 449470160 ADQAEGAAWKRRJG-AVGNSLFASA-N 213.365 2.992 30 20 BFED C=C(CC)CNC(=O)[C@@H](C)Oc1ccc(C)cc1 453013160 JXLRUZKGHHIPML-CYBMUJFWSA-N 247.338 2.845 30 20 BFED C=C(CC)CN[C@@H]1CC[C@@H](C)C[C@H]1n1cncn1 453341033 CGOWWGHAINGEGW-MGPQQGTHSA-N 248.374 2.564 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ncccc1CC 453348562 HQQJTEGBMWXALA-YUTCNCBUSA-N 246.354 2.638 30 20 BFED C=C(C)CCNC(=O)N[C@@H]1CCCC[C@H]1C 454171231 NOTKCZSPYCOLEW-VXGBXAGGSA-N 224.348 2.831 30 20 BFED C=C(CC)CNC(=O)c1cnn(CC(C)C)c1C 456810538 GGOJAXYMIYMBPK-UHFFFAOYSA-N 249.358 2.544 30 20 BFED C=C(CC)CNC(=O)CC(C)(C)C1CC1 456846362 NSDLWYDPQLJOCG-UHFFFAOYSA-N 209.333 2.895 30 20 BFED C=CCN1CCc2cccc(Cl)c2C1 459674461 IZROYCXROSSNDY-UHFFFAOYSA-N 207.704 2.884 30 20 BFED C[C@H](NCCCCC(C)(C)C#N)c1ccn(C)n1 459793400 OYWYIZNWZOVECQ-LBPRGKRZSA-N 248.374 2.791 30 20 BFED C#CC(C)(C)NC(=O)C1C[C@@H](C)C[C@H](C)C1 490935245 LWOLHEHCSQLVSG-QWRGUYRKSA-N 221.344 2.587 30 20 BFED C#C[C@@H](C)N(C)C(=O)[C@H]1CCCC(C)(C)C1 491287612 NETGWYZMPCOFFO-NEPJUHHUSA-N 221.344 2.683 30 20 BFED C#CCN(C)C(=O)NCc1cccc(C(C)C)c1 491637817 UVVPBJPJBIGRSM-UHFFFAOYSA-N 244.338 2.585 30 20 BFED C#C[C@H](NC(=O)[C@@H](F)c1ccccc1)C(C)(C)C 491696129 PHIMKWNXDYEYFQ-STQMWFEESA-N 247.313 2.861 30 20 BFED CC1(C)C[C@]1(C#N)NC(=O)/C=C/C1CCCCC1 493186010 GQNAWENZXZIGJF-XVJNWHFHSA-N 246.354 2.931 30 20 BFED C=CCCC[C@@H](C)NC(=O)OCCCF 496279357 YUBIUFSYCBCZMT-SNVBAGLBSA-N 217.284 2.817 30 20 BFED C=CCCCN1CCC[C@H]1[C@@H]1CCCOC1 563955262 VQFAWHKVPSDIJU-KGLIPLIRSA-N 223.360 2.844 30 20 BFED C=CCCC1(C(=O)N[C@H](COC)C(C)C)CC1 569301948 GGWWJWYMCYWYAS-GFCCVEGCSA-N 239.359 2.520 30 20 BFED CC#CCN(C)C(=O)[C@H](CC)CCCC 572074092 RLOCZCCYKAXJQZ-GFCCVEGCSA-N 209.333 2.685 30 20 BFED CC(C)OC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 575895422 HTMHXKDAZMJZCE-CHWSQXEVSA-N 236.359 2.568 30 20 BFED N#Cc1ncccc1SC[C@@H]1CCC[C@@H](O)C1 579493273 DHRKKJFNBBTJBV-GHMZBOCLSA-N 248.351 2.596 30 20 BFED C[C@H]1CC(C)(C)CC[C@H]1Nc1cncc(C#N)n1 582480058 CJYSHISNHVYSJG-CMPLNLGQSA-N 244.342 2.975 30 20 BFED N#CCCCCCC(=O)NCC1CCCC1 588149582 CPJBSMJBMGRPML-UHFFFAOYSA-N 222.332 2.767 30 20 BFED CC[C@@H](C#N)C(=O)Nc1cc(Cl)ccc1O 593542620 JMAHDYGAYWGCLY-ZETCQYMHSA-N 238.674 2.534 30 20 BFED N#Cc1ccc(CN2CCC[C@@H](C3CC3)C2)nc1 593989866 YTQVRHNLYAMGEL-CQSZACIVSA-N 241.338 2.575 30 20 BFED CC[C@H](C#N)N(C)C(=O)c1ccn(C(C)C)c1C 594091465 NHNPKMFGDMXOAA-GFCCVEGCSA-N 247.342 2.752 30 20 BFED Cc1nc(CN(C2CC2)[C@@H](C)C#N)sc1C 595708907 CNBLHNXLAUXXDQ-QMMMGPOBSA-N 235.356 2.636 30 20 BFED CCC(CC)[C@H](C)C(=O)N(CC)[C@@H](C)C#N 598357728 JHJBXTYPDYKWSX-QWRGUYRKSA-N 224.348 2.819 30 20 BFED C[C@H]1CCCCCN1C[C@H](O)CC(C)(C)C#N 598592127 GASDPXHYFGKZEL-QWHCGFSZSA-N 238.375 2.552 30 20 BFED CCCC(CCC)C(=O)N(CC)[C@H](C)C#N 598881523 CDNVQRZXYOHWBZ-LLVKDONJSA-N 224.348 2.963 30 20 BFED CCN(Cc1ccoc1)C(=O)C(C#N)(CC)CC 599271496 YMJMESWMZOMPLS-UHFFFAOYSA-N 248.326 2.958 30 20 BFED N#Cc1cc(F)ccc1-c1cnn2c1CCCC2 600845017 FXGBBQGGQOKKDK-UHFFFAOYSA-N 241.269 2.897 30 20 BFED N#CCCN(CC1CC1)C(=O)C1CCC=CCC1 602091695 NEGVLBJCUKPKHM-UHFFFAOYSA-N 246.354 2.885 30 20 BFED C[C@H]1CCC[C@@H]1CNC[C@H](C)CCC#N 602647170 IOIJNDBGXFUAGO-FRRDWIJNSA-N 208.349 2.952 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)c1c[nH]cc1C1CC1 602807833 WTECKDGJUQUHAH-JTQLQIEISA-N 245.326 2.514 30 20 BFED CCN(CC#N)CCOc1cc(C)cc(C)c1 604489355 HAWSYNHPUPSHPY-UHFFFAOYSA-N 232.327 2.528 30 20 BFED CC(C)C[C@@H](C#N)NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 608879942 IPDXRLJNMJBIMV-FQUUOJAGSA-N 248.370 2.867 30 20 BFED C[C@@H](CC#N)N(C)C(=O)c1cc2occc2s1 609875608 ZVEAXKLJXIZBTB-QMMMGPOBSA-N 248.307 2.868 30 20 BFED CCc1noc(CSc2ccccc2C#N)n1 610206522 ATPLLFVWICJFSH-UHFFFAOYSA-N 245.307 2.796 30 20 BFED C=CCN(CC=C)C(=O)C[C@@H](C)c1ccco1 623365156 GXMVNZRPYQIZJW-GFCCVEGCSA-N 233.311 2.974 30 20 BFED C=C[C@@H]1CCCCN1C(=O)c1c(C)cccc1O 626687210 CNVGDEZYLWMUHN-GFCCVEGCSA-N 245.322 2.881 30 20 BFED C=C(C)c1ccc(C[C@@H]2CCNC2)cc1 629729956 KWWKQYBQGJSUJF-ZDUSSCGKSA-N 201.313 2.872 30 20 BFED C=C[C@@H]1CCCCN1[C@H](c1nccn1C)C1CC1 639111196 GCDBWKRSESHNTI-KGLIPLIRSA-N 245.370 2.912 30 20 BFED C=CCCCCn1cc([C@H](N)C(C)(C)C)nn1 640939402 PBCPRDKDKIWHMR-LBPRGKRZSA-N 236.363 2.680 30 20 BFED C=C(C)CCNC(=O)c1cc2ccsc2[nH]1 653808510 DQRQAMXZPKEEIS-UHFFFAOYSA-N 234.324 2.925 30 20 BFED C=CCCN[C@@H](C)CC(=O)N(C)c1ccccc1 658116680 NGCDTBPCXLPWIZ-ZDUSSCGKSA-N 246.354 2.594 30 20 BFED C=CCCCCCNC(=O)N[C@@]12CCC[C@@H]1C2 665254863 ARBYKCWWAWRITA-TZMCWYRMSA-N 236.359 2.975 30 20 BFED C=CCN(C(=O)CCc1ccccc1F)C1CC1 678496323 SWFMXYYNSAYZSM-UHFFFAOYSA-N 247.313 2.935 30 20 BFED C=C(C)CCc1noc(-c2nccs2)n1 685384969 MSFDLWGBJVYIFR-UHFFFAOYSA-N 221.285 2.702 30 20 BFED CC1(C)CC(C(=O)N2CCC[C@@H](CC#N)C2)C1 701501291 BLFDSNLCDFJYAH-NSHDSACASA-N 234.343 2.575 30 20 BFED C=C(C)CCNCc1ccc(Cl)cn1 703937769 BDNSJIOGDGIBRQ-UHFFFAOYSA-N 210.708 2.791 30 20 BFED C=CC[C@H]1CCCN(C(=O)c2ccnc(F)c2)C1 705890499 DYKQTLHCRIVACJ-NSHDSACASA-N 248.301 2.649 30 20 BFED C#CCCOC(=O)CCc1ccc(C)cc1C 727041706 XKLMVIANKOXXPB-UHFFFAOYSA-N 230.307 2.803 30 20 BFED C=CCN(C(=O)[C@@H](CC)SC)C(C)C 746816954 PEUYSLRYLRYMAA-SNVBAGLBSA-N 215.362 2.551 30 20 BFED C[C@@H]1CC(=NNc2cnccn2)C[C@@H](C)C1 747751166 IEGXKBHJYVEPCP-UWVGGRQHSA-N 218.304 2.701 30 20 BFED C#CC(=O)NCC(C)(C)CCCc1ccccc1 754030506 WLQZDILVKQDMAZ-UHFFFAOYSA-N 243.350 2.785 30 20 BFED CS[C@@H](C)CC(=O)OCc1ccccc1C#N 757428128 MYHPGTCLBYVPSJ-JTQLQIEISA-N 249.335 2.743 30 20 BFED CC(=NNC1CC1)c1cccc(Cl)c1 758127857 SENAAGULAMNSEQ-UHFFFAOYSA-N 208.692 2.816 30 20 BFED CCCCCCCCN1C(=O)[C@@H](C)N(C)C1=O 760923742 DYOXEVLPLPCYHH-LLVKDONJSA-N 240.347 2.629 30 20 BFED C#CCN(C[C@@H]1C[C@H]1c1ccccc1)C1CC1 764681033 DIYLBBUNLAZYNI-HOCLYGCPSA-N 225.335 2.888 30 20 BFED C=CC[C@@H](N[C@H](COC)C(C)C)c1ccncc1 766017775 CZFANOZGXWMYEE-HUUCEWRRSA-N 248.370 2.959 30 20 BFED C#CCCCCNCc1ccc(C#N)c(C)c1 767688382 CVNZFYMVFBBBHR-UHFFFAOYSA-N 226.323 2.760 30 20 BFED CC(=NNc1ccc(F)cn1)c1cscn1 767908257 OUABSMQZFKOSHC-UHFFFAOYSA-N 236.275 2.513 30 20 BFED C=C(CC)COC(=O)c1c(C)ccnc1OCC 769071206 BQFJYYJVBBKMLQ-UHFFFAOYSA-N 249.310 2.912 30 20 BFED C=C(Cl)CNC(=O)CCCC(F)(F)F 770756865 XZQAANJEFPBQJM-UHFFFAOYSA-N 229.629 2.588 30 20 BFED C=C[C@@H](C)NC(=O)Nc1ccc(COC)cc1 772558133 AMXLTXMXGGTIGK-SNVBAGLBSA-N 234.299 2.529 30 20 BFED Cc1ccc(C=NOC2CCOCC2)c(C)c1 774454167 WIKLSEHXNVWCKD-UHFFFAOYSA-N 233.311 2.833 30 20 BFED C[C@@H](C#N)OC(=O)[C@@H]1CCc2c(Cl)cccc21 775931587 XFWCDFGQNHUKIH-GZMMTYOYSA-N 249.697 2.825 30 20 BFED C[C@@]1(c2ccccc2)CCC(=Nn2cnnc2)C1 780186068 FYNOEAVTGWHZOG-CQSZACIVSA-N 240.310 2.624 30 20 BFED C#CC[C@@H](NCC[C@@H]1CCCO1)c1ccccc1 787278947 IIOMJATZIBQXIP-JKSUJKDBSA-N 243.350 2.910 30 20 BFED CC[C@@H](C)NN=C(C)c1sc(C)nc1C 790190230 UDDUJYPIUPYZMP-SSDOTTSWSA-N 225.361 2.872 30 20 BFED CC[C@H](NN=C(C)[C@H](C)c1ccccc1)C(=O)O 793072576 NVJHCIOYUQGWDA-GWCFXTLKSA-N 248.326 2.619 30 20 BFED CC1(CNN=Cc2ccccn2)CCCC1 793083620 BWYZWENPAFZKKB-UHFFFAOYSA-N 217.316 2.585 30 20 BFED CC(=NN[C@H](C)C(C)(C)C)[C@]1(C)CCCO1 793115569 RQZGMIOJFNSBJC-MFKMUULPSA-N 226.364 2.956 30 20 BFED CC[C@@H](C)CON=Cc1cnccc1N(C)C 793146805 VKTHITCJHWKTLB-LLVKDONJSA-N 235.331 2.544 30 20 BFED Fc1cncnc1NN=CC1CCCCCC1 793211407 LLXDRSXORFOZEL-UHFFFAOYSA-N 236.294 2.984 30 20 BFED C[C@H]1CC[C@H](CNC(=O)C#Cc2ccccc2)C1 794250996 KWBOLWJEODQADC-ZFWWWQNUSA-N 241.334 2.591 30 20 BFED C=CCNN=Cc1ccc(F)c(C(F)(F)F)c1 795003593 LWEHSONIDGEICM-UHFFFAOYSA-N 246.207 2.954 30 20 BFED C=CCOCCOC(=O)c1occc1C(C)C 797294582 HSNMXAFHZIFLIN-UHFFFAOYSA-N 238.283 2.762 30 20 BFED C#C[C@@H](NC(=O)NCC12CCC(CC1)C2)C(C)C 798545046 VHRBCESSKKCDKW-JVWICGRDSA-N 248.370 2.524 30 20 BFED C#C[C@H](NC(=O)C[C@H]1CCC[C@@H](C)C1)C(C)C 799048063 VEVBSOUGFMHYAH-RDBSUJKOSA-N 235.371 2.977 30 20 BFED CCc1cc(C#N)ccc1OC(=O)/C=C\SC 799441512 XPEUUHQRDHJDBJ-SREVYHEPSA-N 247.319 2.903 30 20 BFED Cc1cnc(CSCCO[C@@H](C)C#N)s1 802753393 ZVXLXJPYJHMUPB-QMMMGPOBSA-N 242.369 2.613 30 20 BFED C#Cc1ccc(CN2CC[C@H](C3CC3)C2)cc1 809586021 GLQNGGOAYGWVOW-INIZCTEOSA-N 225.335 2.900 30 20 BFED C#C[C@@H](CC)NC/C=C\c1ccc(F)c(F)c1 809686531 CUFGICPWCQGRRF-FJOGCWAESA-N 235.277 2.979 30 20 BFED C#CCCc1noc(-c2ncsc2C(C)C)n1 810290440 SNFVVJHMSWJHHL-UHFFFAOYSA-N 247.323 2.882 30 20 BFED N#Cc1ccc2c(c1)C(=NNC1CCCC1)CC2 811641121 ONXUQYVNQPSQDY-UHFFFAOYSA-N 239.322 2.741 30 20 BFED Cc1nnsc1C=NN[C@H](C)c1ccccc1 814217891 AMQONNPFVAEUIP-SECBINFHSA-N 246.339 2.531 30 20 BFED CC(C)CCC=NN=c1cc[nH]cc1Cl 814870345 YCYBSYUOFMVNDI-UHFFFAOYSA-N 225.723 2.991 30 20 BFED C=CCC(F)(F)C(=O)OCc1cccnc1C 815310317 SIJJJBUQMPNQOW-UHFFFAOYSA-N 241.237 2.645 30 20 BFED CC[C@H]1C[C@H](C)CCC1=NN[C@@H]1CCC[C@H]1O 817338717 XVQBIWHOUIAUQP-ZMJPVWNMSA-N 238.375 2.692 30 20 BFED C#CCCCOc1cccnc1NCC1CC1 820615010 CDVOZFOOIZAPRR-UHFFFAOYSA-N 230.311 2.696 30 20 BFED CCC[C@H](C)c1noc([C@@H](N)CCCC#N)n1 822770614 GKTVHBSDSMZFQX-UWVGGRQHSA-N 236.319 2.667 30 20 BFED C=CCC1(N[C@@H]2CC[C@H]2C2CC2)CCOCC1 827146314 DHECBCWAELVKPD-UONOGXRCSA-N 235.371 2.890 30 20 BFED COCCCON=C(C)CC(C)(C)C 834979190 GTPGNFIIHMWQNJ-UHFFFAOYSA-N 201.310 2.852 30 20 BFED CC[C@H](C)[C@@H](C=NOC/C=C\Cl)OC 834979586 PNLYCADMYLMZIR-SADXQRIMSA-N 219.712 2.802 30 20 BFED CC[C@@H](C#N)OC(=O)c1ccc(C)c2c1CCC2 835211272 GXQDZXQXEVBCQD-NSHDSACASA-N 243.306 2.943 30 20 BFED C=C[C@@H](CC)OC(=O)[C@@H]1C[C@H]1c1cccnc1 835273452 CTFSXFXLCWMAPR-RWMBFGLXSA-N 231.295 2.693 30 20 BFED CC(C)(C#N)COC(=O)[C@]1(C)CC=CCC1 835283987 CDOLOBSHUNEUDK-CYBMUJFWSA-N 221.300 2.826 30 20 BFED C#CCC(C)(C)C(=O)N1C[C@H](C2CC2)[C@H]1C1CC1 836884274 FPDVLOPVPWPBAL-ZIAGYGMSSA-N 245.366 2.683 30 20 BFED CCOc1ccc(NC(=O)C#CC2CC2)cc1F 837358697 WOWFZMNPMUKOLX-UHFFFAOYSA-N 247.269 2.576 30 20 BFED CC(C)[C@H]1CCCN(C(=O)C#CC(C)(C)C)C1 837566646 LNGFNOJNOHAMAY-ZDUSSCGKSA-N 235.371 2.931 30 20 BFED C#CCC[C@H](C)OC(=O)c1cc(C(C)C)nn1C 839038612 YPNJXZSEKZRJAL-NSHDSACASA-N 248.326 2.502 30 20 BFED CC(C)CC(=O)O[C@H]1CCC[C@@H](C#N)C1 839045459 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30 20 BFED C=C[C@@H](C)OC(=O)c1ccc(C(F)F)nc1 847686683 HSOLCCLQLATHIC-SSDOTTSWSA-N 227.210 2.751 30 20 BFED C=C(C)CNc1nnc(CC(C)(C)C)o1 849161415 LEHYDDRWTNPLEO-UHFFFAOYSA-N 209.293 2.646 30 20 BFED C#CCCCN[C@@H]1[C@@H]2CCC[C@@H]2C1(C)C 850440220 YMCDEJPFFLIOKJ-FRRDWIJNSA-N 205.345 2.814 30 20 BFED C=C(C)[C@@H](C)OC(=O)Cc1occc1C 850946215 OTURHLCYNNNLCD-SNVBAGLBSA-N 208.257 2.638 30 20 BFED C#CCCNC(=O)N1CCCC(CC)(CC)C1 852107881 QFDKWTBHVIIUIQ-UHFFFAOYSA-N 236.359 2.622 30 20 BFED CC(=O)c1nc(C#C[Si](C)(C)C)cs1 853001453 QSQUTZXEDWJKAD-UHFFFAOYSA-N 223.373 2.575 30 20 BFED CC1(C)C(=NN=c2cc[nH]cc2)[C@H]2CCC[C@H]21 853330612 QNZIYGVDIAZYAL-NWDGAFQWSA-N 229.327 2.728 30 20 BFED C[C@H]1CCCCN1N=C1CCC[C@@H](C#N)C1 853382377 YUXCAGPNSZOEFE-NWDGAFQWSA-N 219.332 2.931 30 20 BFED C=CCCONC(=O)[C@@H](CC)Cc1ccccc1 856032200 JQGPLKJZPOWJKV-AWEZNQCLSA-N 247.338 2.879 30 20 BFED C#C[C@H](OC(=O)C[C@H](C)c1ccco1)C1CC1 860627035 FAVVFQMKDQYXNE-JQWIXIFHSA-N 232.279 2.728 30 20 BFED 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30 20 BFED C=C[C@H]1CCCCN1CCOC(C)(C)C 489442395 GUSFOLXDRDCRBH-LBPRGKRZSA-N 211.349 2.842 30 20 BFED C#C[C@H](C)N(C)C(=O)[C@H](c1ccccc1)C1CC1 491451001 CYROFYNWYVMLRZ-SWLSCSKDSA-N 241.334 2.660 30 20 BFED C#C[C@H](C)N(C)Cc1ncc(-c2ccccc2)o1 491665261 RQMWAXFPAPVUQC-LBPRGKRZSA-N 240.306 2.795 30 20 BFED C#C[C@@H](CC)NCCCc1ccc2c(c1)CCO2 491767960 IBYYNFMTXMSRHW-HNNXBMFYSA-N 243.350 2.556 30 20 BFED C=C(C)CCNC(=O)/C=C/c1cnc(C)s1 493543074 ABPIWBRHAJAHFE-SNAWJCMRSA-N 236.340 2.547 30 20 BFED C=CCOc1ccc(OCC2(O)CCCC2)cc1 504541444 HWIKYWAGQMQVNK-UHFFFAOYSA-N 248.322 2.935 30 20 BFED N#Cc1csc(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 515186810 ZZARUJFPHRAZFD-OUAUKWLOSA-N 246.335 2.538 30 20 BFED N#Cc1csc(C(=O)N[C@H]2CCC[C@@H]3C[C@H]23)c1 515186811 ZZARUJFPHRAZFD-VWYCJHECSA-N 246.335 2.538 30 20 BFED C=CCCCC(=O)NCCc1ccc(C)o1 530643857 HTPNMONDVAUIBH-UHFFFAOYSA-N 221.300 2.603 30 20 BFED CC#CCN1CC[C@H](Oc2cccc(Cl)c2)C1 536203550 KPBZKEOOOSQSPQ-AWEZNQCLSA-N 249.741 2.816 30 20 BFED 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2.688 30 20 BFED C#CCNC(=O)N1CCCC[C@@H]1CCC(C)C 156671925 COUMQNXNJYCZSD-CYBMUJFWSA-N 236.359 2.620 30 20 BFED C=C(C)CNC(=O)N1C[C@@H](C)CCC[C@H]1C 156775758 GLDOKLKKPVWXQM-NWDGAFQWSA-N 224.348 2.783 30 20 BFED C[C@@H](C(=O)Oc1ccc(C#N)cc1F)C1CC1 158115352 VOOPFWIMCXSCSY-MRVPVSSYSA-N 233.242 2.649 30 20 BFED C=CCN(CC#CC)Cc1ccc(OC)cc1 159464531 GPTRAEZIXSWGMU-UHFFFAOYSA-N 229.323 2.707 30 20 BFED C=CCN(C)C(=O)[C@@H](C)c1ccccc1F 161466186 QIJGJZONCUQZKP-JTQLQIEISA-N 221.275 2.574 30 20 BFED Cc1cccc2c1CCN2C[C@@H](C#N)CCC#N 162258723 GZTYVCQENYFLLN-CYBMUJFWSA-N 239.322 2.801 30 20 BFED CC(C)(C#N)CNCc1ccc(Cl)o1 164668147 IRMPPPASSKUGSK-UHFFFAOYSA-N 212.680 2.572 30 20 BFED C#Cc1cccc(N(C)C(=O)[C@@H](C)C(C)C)c1 171940094 XTIHGXGQHVHRKC-LBPRGKRZSA-N 229.323 2.923 30 20 BFED N#CCc1cccc(C(=O)N[C@@H]2CC=CCC2)c1 172493559 GGANNSYZVOPQCQ-CQSZACIVSA-N 240.306 2.591 30 20 BFED CC#CCOC(=O)c1ccc(SC)cc1 174362588 RYYGQUALEJHRAZ-UHFFFAOYSA-N 220.293 2.589 30 20 BFED Cc1cnc(CNCc2cccc(C#N)c2)s1 174573683 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229.283 2.549 30 20 BFED CC(C)[C@H]1CCCC1=NN[C@H]1CCCOC1 780262157 RERXYBBSOWVKDQ-NWDGAFQWSA-N 224.348 2.567 30 20 BFED C#CCCCCCC(=O)N1[C@H]2C=CC[C@H]1CC2 780665362 MATBLAFIDMCXSD-KBPBESRZSA-N 231.339 2.890 30 20 BFED CC(C)(C)CCNN=Cc1cccc([N+](=O)[O-])c1 782902943 LZZNIBGVSFPGGR-UHFFFAOYSA-N 249.314 2.955 30 20 BFED C=C[C@H]1CCCCN1c1cncc(Cl)n1 784676783 OYWOEOVTWCINOZ-VIFPVBQESA-N 223.707 2.675 30 20 BFED c1cc(CCNN=C2CCC23CCC3)ccn1 789094468 SIVMWZBSTCYYLV-UHFFFAOYSA-N 229.327 2.534 30 20 BFED CCCCCCCCNC(=O)C1=CCOCC1 793728018 OTCPIQAVZJXACR-UHFFFAOYSA-N 239.359 2.810 30 20 BFED FCC[C@@H]1CCCC1=NOC[C@@H]1CCOC1 794933213 QNCVZZWLQDGQLT-MNOVXSKESA-N 229.295 2.555 30 20 BFED C=CCNN=C(C)c1ccccc1OC(F)F 794999490 HGLPIEPLXCYAHK-UHFFFAOYSA-N 240.253 2.788 30 20 BFED CCC1CCC(=NOCCCOC)CC1 795042736 WJHKCKNUVOXOOR-UHFFFAOYSA-N 213.321 2.996 30 20 BFED CC1CC(C#N)(C(=O)OCCSC(C)C)C1 803394790 NJGOGFFVMLSTQW-UHFFFAOYSA-N 241.356 2.611 30 20 BFED Clc1cncnc1NN=CCCC1CC1 807983059 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2.607 30 20 BFED C#CCCCCC(=O)N(C)Cc1cccs1 271481714 JTTYUXCWEPHOFK-UHFFFAOYSA-N 235.352 2.900 30 20 BFED C=CCN(C(=O)C[C@@H]1C=CCC1)C1CC1 271501827 KQDBPDMWLJEFMH-LLVKDONJSA-N 205.301 2.520 30 20 BFED CC(=O)c1ccc(C#N)c(N2CC[C@H](C)[C@@H]2C)c1 273302451 LYXZKHFEEFREOZ-QWRGUYRKSA-N 242.322 2.996 30 20 BFED C=C(C)CCN(CCCO)Cc1ccccc1 274807208 TUICBNUCXPPLQJ-UHFFFAOYSA-N 233.355 2.837 30 20 BFED C=CCCN(C)C(=O)c1cc(C)c(OC)c(C)c1 276479552 YPYALNCPVHRMDW-UHFFFAOYSA-N 247.338 2.960 30 20 BFED CC#CC(=O)N[C@@H](c1ccccc1)C(C)(C)C 277263126 ARMDGRSCUABIET-AWEZNQCLSA-N 229.323 2.913 30 20 BFED C=C(C)[C@H]1OCC[C@H]1CNCc1ccsc1 280746944 XMIJJXOCIMYYCG-QWHCGFSZSA-N 237.368 2.819 30 20 BFED C=CC[C@@H](CC)NC(=O)c1cc(C(C)C)no1 281001965 DKMJJOCSTATKKY-SNVBAGLBSA-N 236.315 2.883 30 20 BFED C=CC[C@@H](CC)NC(=O)/C=C/c1cnccc1C 281132318 UETFYYDNFUMHAQ-HSBSLETESA-N 244.338 2.874 30 20 BFED N#Cc1c(F)cccc1OCCCCF 285129306 KUUWTLLCFUXWMK-UHFFFAOYSA-N 211.211 2.826 30 20 BFED CC[C@](C)(C#N)C(=O)Oc1ccc(C)c(F)c1 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30 20 BFED Cc1ccc([C@H](C)Nc2ccc(C#N)nn2)cc1 301964833 JWZMELZNPQZUNP-NSHDSACASA-N 238.294 2.830 30 20 BFED C#C[C@@H](NC(=O)Nc1ccccc1F)C(C)C 304193978 WJJUBWODZQRLFQ-LLVKDONJSA-N 234.274 2.605 30 20 BFED CCCN/C(N)=N/CC(C)(C)C1CCCCC1 305722249 PTHVHQPHQJGXDR-UHFFFAOYSA-N 239.407 2.907 30 20 BFED CC1(Nc2ncc(C#N)cc2Cl)CC1 306438786 IRLIHACAWHEQKD-UHFFFAOYSA-N 207.664 2.571 30 20 BFED C=C(Br)CN1C[C@H](C)[C@@H](C)[C@H]1C 307012108 LUEOWYJRSOOLSB-FXBDTBDDSA-N 232.165 2.871 30 20 BFED N#Cc1cc(Cl)c(Br)cc1N 307573281 DVBKSOOYTVGRPH-UHFFFAOYSA-N 231.480 2.556 30 20 BFED Cc1nc(C#N)cc(N[C@H]2CCCC[C@@H]2C)n1 308409482 LATOORXWDYWQIE-CABZTGNLSA-N 230.315 2.647 30 20 BFED C#C[C@H](CC)N[C@H]1CS[C@@H](C(C)(C)C)C1 309090179 BXAPWFYGGZEAHR-IJLUTSLNSA-N 225.401 2.908 30 20 BFED CC[C@@H]1C[C@@]1(NCC#N)c1cccc(C)c1 309491431 XIDAZIBRXRBZFA-OCCSQVGLSA-N 214.312 2.733 30 20 BFED CC(C)N(CCC#N)C(=O)[C@H]1CC2CCC1CC2 310826924 IGHQEZYYEAPJRA-RUXDESIVSA-N 248.370 2.963 30 20 BFED CO[C@H](C)[C@H](C)Nc1cccc(CC#N)c1 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CC[C@H](C)NN=C1CCCOc2ccccc21 790182975 IHXFRJBCGCHKTK-NSHDSACASA-N 232.327 2.951 30 20 BFED CC[C@H]1C[C@@H](C)CCC1=NN(C)CCOC 794972005 LQENPRPOGHHVCJ-RYUDHWBXSA-N 226.364 2.767 30 20 BFED C#CCCOC(=O)C1CC(c2ccc(F)cc2)C1 796092652 HSPNOYQHHHBWFQ-UHFFFAOYSA-N 246.281 2.886 30 20 BFED CC#CCCOC(=O)[C@H]1CCCC(F)(F)C1 800281048 CHCUOXBCWBWXLY-JTQLQIEISA-N 230.254 2.769 30 20 BFED Cn1cnc(/C=C\C(=O)c2ccc(F)cc2F)c1 800792419 DQSODDKRLUNYKS-HYXAFXHYSA-N 248.232 2.594 30 20 BFED CC1(C)CC(C(=O)Nc2cc(C#N)ccc2O)C1 802891034 NDPRWCWBYUUPQQ-UHFFFAOYSA-N 244.294 2.639 30 20 BFED N#CCOC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 803746160 AYUFSXVSNZOEDF-IJLUTSLNSA-N 221.300 2.660 30 20 BFED CC[C@H]1CC[C@H]1NCc1cc(C#N)ccc1F 806148346 SXISDRQUIVNLHG-SMDDNHRTSA-N 232.302 2.976 30 20 BFED C#Cc1cncc(C(=O)N(CC)C[C@@H](C)CC)c1 807002468 LAUXXOSUEVTAIX-LBPRGKRZSA-N 244.338 2.571 30 20 BFED C=CCCCCOC(=O)C[C@@H](C)COC 811013068 IPGIWYRAXDRIDQ-LLVKDONJSA-N 214.305 2.559 30 20 BFED C#C[C@H](C)NC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 812003956 MIPCPBYTUMACMV-OZTPJHRESA-N 248.370 2.522 30 20 BFED N#CCCCOC(=O)[C@H]1CC2CCC1CC2 814494517 JUMCXJWOKUTFCI-MCIGGMRASA-N 221.300 2.660 30 20 BFED CC(CCCO)=NNc1cc(F)c(F)cc1F 814851575 PRMNVWLBWBGSBH-UHFFFAOYSA-N 246.232 2.664 30 20 BFED CSCc1cnc(C=NOC2CCC2)s1 814936392 PPAAJVSBDUUEPB-UHFFFAOYSA-N 242.369 2.909 30 20 BFED FC(F)(F)[C@H]1CC(=NOCC2CC2)CCO1 814940942 HZSPYYKBHMUECD-SECBINFHSA-N 237.221 2.510 30 20 BFED Cc1c(F)cccc1C(=O)OCC(C)(C)C#N 817727880 PPZRIGXIGDLUSC-UHFFFAOYSA-N 235.258 2.841 30 20 BFED N#CCCN[C@H]1CC2(CCC2)Oc2ccccc21 819155894 XJGZOWNWKHREBO-ZDUSSCGKSA-N 242.322 2.936 30 20 BFED C#C[C@H](C)NC(=O)N1CCC[C@@]1(C)CC(C)C 820401090 VYTPHXXVEXIZJZ-JSGCOSHPSA-N 236.359 2.618 30 20 BFED Cc1ccc(C#N)cc1C(=O)NC1(C(C)C)CC1 820637063 DARFSOKGKCGDEE-UHFFFAOYSA-N 242.322 2.785 30 20 BFED C=C(C)CCNC(=O)c1cc(C#N)ccc1C 821411957 HOZAEYBAOOAJQC-UHFFFAOYSA-N 228.295 2.563 30 20 BFED C[C@]1(COC(=O)c2sccc2C#N)C[C@@H]1F 822108078 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236.359 2.616 30 20 BFED C=CC[C@@H](CC)NC(=O)N1[C@H]2C=CC[C@H]1CC2 366998544 RKTBXEVRZURGBY-AGIUHOORSA-N 234.343 2.844 30 20 BFED CCCCCN=c1[nH]cc(Cl)c(C)c1C#N 381308230 KONKGNFAWGJLOV-UHFFFAOYSA-N 237.734 2.939 30 20 BFED C[C@@H]1CC[C@H](NCC2(C#N)CC2)C[C@H]1C 389607810 ZHZICMXCGBOBQE-UTUOFQBUSA-N 206.333 2.704 30 20 BFED C#CCOc1ccc(F)cc1NCCC=C 390800132 XNZLUGTWTKANSU-UHFFFAOYSA-N 219.259 2.826 30 20 BFED N#Cc1ccc(CN[C@H]2CCC[C@@H]3C[C@H]23)cc1F 404557114 RPELGXVVLZHVJV-ZLDLUXBVSA-N 244.313 2.976 30 20 BFED CCC[C@H](C#N)N(C)C(=O)[C@H]1CC12CCCC2 410824382 COUCKIUDAMVMCX-VXGBXAGGSA-N 234.343 2.717 30 20 BFED CCC[C@H](C#N)N(C)C(=O)C[C@H]1CC[C@@H](C)C1 410831229 YDWCFIAEEJQQIW-FRRDWIJNSA-N 236.359 2.963 30 20 BFED CCC[C@@H](C#N)N(C)C(=O)[C@@H]1CC=CC[C@H]1C 410835417 NRXKVPDLXSWLKW-FRRDWIJNSA-N 234.343 2.739 30 20 BFED C[C@@H](CCC#N)Sc1ccc([N+](=O)[O-])cn1 413001497 PUHYCZPHVRCONN-QMMMGPOBSA-N 237.284 2.774 30 20 BFED C=CC[C@H](C)[C@@H](C)NC[C@@]1(C)CCCNC1 423337948 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20 BFED C#CCCC/N=C\c1cc2ccccc2nc1O 588565390 MJHHWXFXCKOYLA-WJDWOHSUSA-N 238.290 2.773 30 20 BFED Cc1ccc(CN(C)[C@H]2CC[C@H](C#N)C2)nc1 590754786 LSSPVRIRRBCFRN-JSGCOSHPSA-N 229.327 2.514 30 20 BFED CC[C@H](C)[C@@H](C)C(=O)N(C)c1ccc(C#N)nc1 593277624 WZNCPBUTOKYYIR-WDEREUQCSA-N 245.326 2.598 30 20 BFED CC[C@@H](C#N)N(C)C(=O)C1(CC(C)C)CCC1 594098401 SXUQZXWDHYLALX-LBPRGKRZSA-N 236.359 2.963 30 20 BFED COC[C@]1(C)CCN([C@@H](C#N)c2ccccc2)C1 595507172 SXYBSIHZCYOGMC-LSDHHAIUSA-N 244.338 2.610 30 20 BFED CC1(C)C[C@H]1Nc1nc(C#N)c(Cl)s1 596087918 QQYUTXXUCXDDCA-ZCFIWIBFSA-N 227.720 2.879 30 20 BFED CCC1(CC)CCN(c2c(C#N)cnn2C)CC1 596200993 USDPXBNHFPYVGC-UHFFFAOYSA-N 246.358 2.698 30 20 BFED CCc1cc(C#N)ccc1OCCC1(O)CCC1 596277635 HXFCNGXJVFMNAW-UHFFFAOYSA-N 245.322 2.805 30 20 BFED Cc1cc(NCC2=CCCC2)cc(C#N)n1 596518449 XHEXJTWIDAFCEC-UHFFFAOYSA-N 213.284 2.784 30 20 BFED C[C@]1(C(=O)N2CCC[C@H](CC#N)C2)CC=CCC1 597897086 JJXDICOELRRUHW-HIFRSBDPSA-N 246.354 2.885 30 20 BFED 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CC#CCOC(=O)[C@@H]1CCc2c(Cl)cccc21 775928456 AFFUJYJPCJTLCY-GFCCVEGCSA-N 248.709 2.936 30 20 BFED C#CC[C@@H](NCC1(C#N)CC1)c1ccccc1 776005819 CJHYLNHDMGRWDY-CQSZACIVSA-N 224.307 2.644 30 20 BFED CC/C=C(\C)C(=O)OCCC(C)(C)C#N 776362905 IQZUGBBXJBUTET-UXBLZVDNSA-N 209.289 2.826 30 20 BFED CCCCCCCCCN(C)Cn1cnnc1 776757230 KECUSDPZIXCSGG-UHFFFAOYSA-N 238.379 2.918 30 20 BFED CCCCCCCN1CC[C@](O)(CC)C1 778387173 CPTFCCBNKPELRZ-CYBMUJFWSA-N 213.365 2.804 30 20 BFED CCC(=NNc1cnccn1)c1ccccc1F 778538596 SIAGKNMUOQWMCH-UHFFFAOYSA-N 244.273 2.842 30 20 BFED CCC(CC)CNN=C1COCc2ccccc21 782271325 CSMWNCBZMMLYHU-UHFFFAOYSA-N 246.354 2.947 30 20 BFED CC(C)(C#N)CC(=O)O[C@@H]1C=CCCC1 785097548 RYOBJYXRHZXJKX-SNVBAGLBSA-N 207.273 2.578 30 20 BFED C#CC(C)(C)N(C)CCC(=O)c1ccc(C)cc1 787998170 XZGJZWLFUCINNG-UHFFFAOYSA-N 243.350 2.911 30 20 BFED Cc1ccc(F)cc1C=NOC[C@@H]1CCOC1 788033993 NADQRFHITANNPY-LLVKDONJSA-N 237.274 2.521 30 20 BFED CC[C@@H](C)NN=C(C)c1cncc(C)c1 790183734 VJHBEYAADMRJJA-SNVBAGLBSA-N 205.305 2.502 30 20 BFED CC[C@H](C)NN=C1CC(C)(C)OC1(C)C 790189905 SCZBCSROCFGPAV-VIFPVBQESA-N 212.337 2.708 30 20 BFED C[C@H](C#N)OC(=O)CCc1ccc(Cl)cc1 792752403 YVSZCMFVNRYKLO-SECBINFHSA-N 237.686 2.728 30 20 BFED CC(=NNCC1(C)CCCC1)c1ccccn1 793080460 AJOAFHBEADASFO-UHFFFAOYSA-N 231.343 2.976 30 20 BFED C[C@H](NN=Cc1ccc(C#N)s1)C(C)(C)C 793112498 TWTOGABHQQFNPL-VIFPVBQESA-N 235.356 2.978 30 20 BFED CO[C@H]1CCCC(=NN[C@H](C)C(C)(C)C)C1 793114685 IQAPCUATHIMHMY-PWSUYJOCSA-N 226.364 2.956 30 20 BFED CC[C@H](C)CON=Cc1ccc(O)cc1 793163244 HTHYJZUILCTANC-JTQLQIEISA-N 207.273 2.789 30 20 BFED c1ncc(NN=C2CCCCCCC2)cn1 794976689 QQQRPRVAKFEYHK-UHFFFAOYSA-N 218.304 2.989 30 20 BFED Cc1ccc2c(c1)C(=NNc1cncnc1)CC2 794979122 BJTUMTPMYPBQLG-UHFFFAOYSA-N 238.294 2.547 30 20 BFED Fc1cccnc1NN=C1CCC12CCOCC2 794990478 NTIRKUDIKNYYGN-UHFFFAOYSA-N 249.289 2.579 30 20 BFED Fc1cccnc1NN=C1CCCCC1 794990684 RDPWCCXLBZRNEK-UHFFFAOYSA-N 207.252 2.953 30 20 BFED FCCC[C@H]1CCCC1=NNCC(F)F 800812555 HLRZIHONPOGQNH-MRVPVSSYSA-N 222.254 2.747 30 20 BFED C[C@@H](C#N)OCCSc1cccc(C#N)c1 801657959 MIYUNGCBLCLIPG-JTQLQIEISA-N 232.308 2.579 30 20 BFED CC1(C)CC[C@@H]1/N=C\c1ccccc1O 804599413 YUTXHORBDCGHLA-CJAAZZPWSA-N 203.285 3.000 30 20 BFED CC(C)(CCC#N)CNCc1ccc(F)nc1 808430303 VOESNYMEWAVEIZ-UHFFFAOYSA-N 235.306 2.640 30 20 BFED C=CCCSc1nc(C(=O)OC)cs1 814788374 RGVRWRWRYRIKOM-UHFFFAOYSA-N 229.326 2.598 30 20 BFED CCCNN=C1CCOc2ccc(OCC)cc21 814804431 OUCBJUAEAUELQP-UHFFFAOYSA-N 248.326 2.572 30 20 BFED CC(=NN[C@H](C)C(C)(C)C)C1CCN(C)CC1 814938122 WIBTWPIVBFDBLW-GFCCVEGCSA-N 239.407 2.728 30 20 BFED C=CCC(F)(F)C(=O)Nc1cc(Cl)ccn1 815287071 QJSSHMQBCTYXAJ-UHFFFAOYSA-N 246.644 2.885 30 20 BFED C#CCC(C)(C)C(=O)N1CC(C)(C)[C@H]1C(C)C 817219609 FLJJKNVGHJOSRT-GFCCVEGCSA-N 235.371 2.929 30 20 BFED C[C@@H](COC(=O)CC(C)(C)C#N)C1CCC1 817755252 FYPKWTULMPTQEV-JTQLQIEISA-N 223.316 2.906 30 20 BFED CCCCCCCC(=O)N1Cc2cncnc2C1 818032713 CCLTXZZSAARZGZ-UHFFFAOYSA-N 247.342 2.679 30 20 BFED C#C[C@H](OC(=O)[C@H]1CCCC[C@@H]1C)C1CC1 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BFED C#CCCCC(=O)N1C[C@H](C)c2ccccc21 192076063 HFULBOLFZQRMAB-LBPRGKRZSA-N 227.307 2.940 30 20 BFED C=CCCCCCS[C@H](CC)C(N)=O 192549561 MXHWGKOLHAMZHI-SNVBAGLBSA-N 215.362 2.730 30 20 BFED C#CCCOc1cccc2c1CCCC2 215392243 RNKIXSADBUMBIN-UHFFFAOYSA-N 200.281 2.968 30 20 BFED C#Cc1ccc2c(cnn2C(=O)OC(C)(C)C)c1 217951456 YKXMKSRCXAEUJU-UHFFFAOYSA-N 242.278 2.801 30 20 BFED CC(C)(C)[S@@](=O)/N=C/c1ccnc(Cl)c1 224964716 OUPJDFYEBVGNNR-MYWXAZLQSA-N 244.747 2.616 30 20 BFED N#Cc1cc(F)ccc1N[C@H]1CCO[C@H]1C1CC1 230306656 ZQQRWYFZUDKLQU-KBPBESRZSA-N 246.285 2.677 30 20 BFED C#C[C@H](CC)NC(=O)c1cccc(OCCC)c1 233243881 QBJAGIPIKZXUER-CYBMUJFWSA-N 245.322 2.617 30 20 BFED C#C[C@H](CC)NC(=O)c1cc(C)cc(Cl)c1 234054874 XWDGWXBYVOGOFS-GFCCVEGCSA-N 235.714 2.790 30 20 BFED Cc1cccc(C)c1C(=O)N(C)[C@@H](C)CC#N 235102803 HVUHMDKOWOSOLJ-LBPRGKRZSA-N 230.311 2.678 30 20 BFED C=C(C)CN(CC)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 249106713 JPWRUPMNSKZURF-AVGNSLFASA-N 221.344 2.847 30 20 BFED 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WQJZIQZFVLVRCH-STQMWFEESA-N 212.381 2.661 30 20 BFED C=C[C@@H]1OCC[C@H]1NC[C@H]1CCC[C@H](C)C1 449516408 AOTKROYBVOJZGX-FQUUOJAGSA-N 223.360 2.746 30 20 BFED CC(C)[C@H](C#N)NC(=O)[C@H]1CC[C@@H](C)[C@H](C)C1 450906034 CREKSCGAMLUSAT-NDBYEHHHSA-N 236.359 2.723 30 20 BFED CC(C)CCCCC(=O)N(C)C[C@@H](C)C#N 457473671 CGRDUTGWRDHMML-LBPRGKRZSA-N 224.348 2.821 30 20 BFED CC#CCCNC(=O)N1CC[C@H]1c1ccccc1 483422206 WKGQCUJXEMPTHE-AWEZNQCLSA-N 242.322 2.556 30 20 BFED C=CCN(C)C(=O)c1cc(-c2ccccc2)on1 491067956 LRHKNEHWWGXXBN-UHFFFAOYSA-N 242.278 2.600 30 20 BFED C#CCN(C)C(=O)Nc1cc(F)ccc1Cl 491100904 IIDIZCFFZIAHHR-UHFFFAOYSA-N 240.665 2.576 30 20 BFED C#C[C@H](C)N(C)C(=O)Nc1cccc2[nH]ccc12 491524055 IQSZKFLJTCXTPE-JTQLQIEISA-N 241.294 2.653 30 20 BFED C#CCN(C)C(=O)/C(C)=C\c1ccccc1Cl 491771110 PYRIECHZSUXHOQ-KHPPLWFESA-N 247.725 2.835 30 20 BFED C=CCCC[C@H](C)NC(=O)/C=C\c1ccc[nH]1 491989978 LARMRBIIEZXRRR-PRDAAYKISA-N 232.327 2.889 30 20 BFED N#CCC[C@H](C#N)CNc1ccc2c(c1)COC2 551937789 ACPIOMBVRQWXTL-LLVKDONJSA-N 241.294 2.572 30 20 BFED CC#CCNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 584460904 SHOONUMOHPXDAN-MELADBBJSA-N 233.355 2.732 30 20 BFED C/C=C(/CC)C(=O)[C@@H](C#N)c1ccccn1 588569688 OJJHMYIQLIIRCC-CGXZDELUSA-N 214.268 2.614 30 20 BFED C[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)C1CC1 590624727 RWVDWLPMXXBFHU-ABAIWWIYSA-N 246.354 2.623 30 20 BFED N#Cc1cnc(N2CC[C@@H](C3CCC3)C2)c(F)c1 591204114 DOLXBRXYNNBAPT-GFCCVEGCSA-N 245.301 2.719 30 20 BFED CC[C@@H](C#N)N(C)C(=O)c1cccc(C2CC2)c1 594085032 SCEPIKGMARWULM-AWEZNQCLSA-N 242.322 2.938 30 20 BFED C=C(CC)CNC(=O)NCC1(SCC)CC1 595644739 DVYUHHZIMPRZQI-UHFFFAOYSA-N 242.388 2.538 30 20 BFED CC[C@@H](C)[C@@H](CNCC(C)(C)CC#N)OC 602691763 SBCZRQPHCGHEOX-VXGBXAGGSA-N 226.364 2.577 30 20 BFED C[C@H]1CCN(Cc2ccnc(C#N)c2)C[C@H](C)C1 611040005 VMBCRABKAUUBGW-QWHCGFSZSA-N 243.354 2.821 30 20 BFED CC[C@H]1CCCC[C@@H]1NC1CCN(CC#N)CC1 611534386 ZZCNMPRHSVXEBZ-ZFWWWQNUSA-N 249.402 2.533 30 20 BFED C[C@@H](c1ccc(C#N)cc1)N1CC[C@@](F)(C#N)C1 615646663 PUMCYZAJPZKIMQ-SMDDNHRTSA-N 243.285 2.557 30 20 BFED C=CCC(C)(C)C(=O)Nc1cnn(CC2CC2)c1 644799104 LCYNJHSFHHYWEA-UHFFFAOYSA-N 247.342 2.834 30 20 BFED C=CCC(C)(C)C(=O)N[C@@H](C)C[C@@H]1CCOC1 645776168 JIBONDYWKMFTPT-RYUDHWBXSA-N 239.359 2.520 30 20 BFED C=C(C)CNC(=O)[C@]1(C)CCc2ccccc21 648866379 SDXYEVAMGAQINM-OAHLLOKOSA-N 229.323 2.583 30 20 BFED C=CC[C@H]1CCCC[C@@H]1NCCc1cnn(C)c1 657844437 VDOIJUVFWNYDDU-GJZGRUSLSA-N 247.386 2.687 30 20 BFED C=CC[C@H]1CCCN(c2cccc(C(=O)O)n2)C1 662882864 HLTNLKGNMLCUCO-NSHDSACASA-N 246.310 2.572 30 20 BFED CCCN(CC#CCOC)Cc1ccc(C)cc1 677817581 QQWSBFUOVGBIPZ-UHFFFAOYSA-N 245.366 2.857 30 20 BFED N#CCc1ccc(CN2CC[C@H](CF)C2)cc1 711447146 HNHPTZKUMQOKPL-CQSZACIVSA-N 232.302 2.544 30 20 BFED C#C[C@H](C)NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 714395553 SYJYNINZSDWAAY-REWJHTLYSA-N 233.355 2.731 30 20 BFED C=C(C)CNC(=S)N1CCC(C)(C)CC1 726909586 KBCMVDDIJLVJJE-UHFFFAOYSA-N 226.389 2.559 30 20 BFED C#CCCOC(=O)[C@H](C)SCc1ccccc1 727042231 XAXCTHFZCUIQIC-LBPRGKRZSA-N 248.347 2.875 30 20 BFED C=CC1CCN(C(=S)N[C@H](C)CC)CC1 731942427 MZMXRASCGFVFSE-SNVBAGLBSA-N 226.389 2.557 30 20 BFED CON=C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 733744894 VVEVRHSERAWGBB-DGCLKSJQSA-N 224.348 2.663 30 20 BFED C#C[C@H](CC)NC(=O)N[C@H](C)C1CCCCC1 753155357 PPBWHCFNQPAFKI-DGCLKSJQSA-N 236.359 2.666 30 20 BFED CC(=NNc1cncc(Cl)n1)c1ccoc1 755892254 FIQDZLBUEMWQNE-UHFFFAOYSA-N 236.662 2.559 30 20 BFED C#CCCCC(=O)N[C@H](C)c1ccncc1CC 760491226 NSKOHKOGXRVKTC-GFCCVEGCSA-N 244.338 2.625 30 20 BFED CC#CC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 764538168 KQCFLXFUDGMEFZ-GJZGRUSLSA-N 241.334 2.537 30 20 BFED C[C@@H]1CC(C)(C)CC1=NN[C@@H]1CCCOC1 766029726 NOLYYEXBRWGLJC-GHMZBOCLSA-N 224.348 2.567 30 20 BFED CCCOc1ccc(C=NOCC)cc1 767463944 WVVKOTHNWCCXFB-UHFFFAOYSA-N 207.273 2.846 30 20 BFED CON=Cc1ccccc1OC(F)(F)F 767489993 HHDJTMMGRWGTTD-UHFFFAOYSA-N 219.162 2.566 30 20 BFED C=CCCC(=O)COC(=O)C(C)(CC)CC 767611133 PYWIMVWQUOPELJ-UHFFFAOYSA-N 226.316 2.891 30 20 BFED CC1(C)CCCC[C@H]1NN=Cc1ccncc1 773126052 SIYZRRRTTDOJPY-CYBMUJFWSA-N 231.343 2.974 30 20 BFED C=C(C)CN(C)C(=O)/C(=C\c1ccccc1)OC 774091010 HNHKWCWLAYIKDT-GXDHUFHOSA-N 245.322 2.708 30 20 BFED CCOCCON=Cc1cc(C)ccc1C 774421488 FXYIUDSSKDMIOH-UHFFFAOYSA-N 221.300 2.690 30 20 BFED CC1=CC(=NN[C@@H]2C[C@H]3CC[C@H]2C3)CC1 774607709 KKPKXTCFUBGVMJ-GMXVVIOVSA-N 204.317 2.861 30 20 BFED CC(=NOC1CCCCC1)[C@H]1CCCO1 777458952 MHTLIERFXGTBBD-GFCCVEGCSA-N 211.305 2.891 30 20 BFED C#CCCCCCC(=O)N(C)CC(=C)C 780036165 BPMFVLXREPHSDF-UHFFFAOYSA-N 207.317 2.605 30 20 BFED C#CCCCCCC(=O)N(C)Cc1ccccn1 780390236 VQYGGYXUBIEJGJ-UHFFFAOYSA-N 244.338 2.624 30 20 BFED CCON=C(C)CCc1n[nH]c2ccccc12 782225664 VZLRZLFNDZUKGP-UHFFFAOYSA-N 231.299 2.908 30 20 BFED CC(=NNc1nc2ccccc2[nH]1)[C@H]1CCCO1 783790210 OWWAOTMRVJYNPA-GFCCVEGCSA-N 244.298 2.530 30 20 BFED C/C=C(\C)C(=O)OCc1ccc(C#N)c(C)c1 784037292 GOEJUYKRMDVUBJ-ONNFQVAWSA-N 229.279 2.876 30 20 BFED C=CCCN(C)C(=O)[C@H](F)c1ccccc1 786224337 VYAPXXGTSWNQQG-GFCCVEGCSA-N 221.275 2.732 30 20 BFED C#CCOc1cccc(OCC[C@H]2CCCO2)c1 786741388 MEIKQOPTMJXJDY-CYBMUJFWSA-N 246.306 2.647 30 20 BFED C=C(C)COC(=O)[C@@H]1CCCN1C1CCCC1 786884012 SSAAXFMEIGHKCN-ZDUSSCGKSA-N 237.343 2.513 30 20 BFED CC[C@@H](C)NN=Cc1cc(F)ccc1C 790182944 HDZUEFMCEKWGES-SNVBAGLBSA-N 208.280 2.856 30 20 BFED CSCCON=C(C)c1ccc(F)cc1O 794573143 SZEJENLELCBJOG-UHFFFAOYSA-N 243.303 2.635 30 20 BFED Fc1ccccc1C=NNc1ncccc1F 794994128 STRGWLOWRQGSAX-UHFFFAOYSA-N 233.221 2.806 30 20 BFED COCCCON=C1CCC[C@@H](C2CC2)C1 795049046 WBCXROWJCNWLHX-GFCCVEGCSA-N 225.332 2.996 30 20 BFED C=CCOC(=O)[C@@H](OC(C)C)c1ccccc1 796421570 WBBLPPCIKWDWGU-ZDUSSCGKSA-N 234.295 2.882 30 20 BFED CC(C)(C(=O)OCC1(C#N)CCC1)C(F)F 796851375 SMZGGWBXUCAKBJ-UHFFFAOYSA-N 231.242 2.515 30 20 BFED C=CCOCCOC(=O)C[C@H]1CCCC[C@@H]1C 797312472 YHYHKFXVEVOPEV-QWHCGFSZSA-N 240.343 2.949 30 20 BFED C#Cc1cccc(N(C)C(=O)c2[nH]ccc2C)c1 797858126 UVBRUWAKRCZOJW-UHFFFAOYSA-N 238.290 2.581 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CNC1CC(C(F)F)C1 798086187 HUTOLCCFWIKSEO-YYJSSNLHSA-N 245.313 2.601 30 20 BFED CCCCCCCS(=O)(=O)N1CC=CCC1 799797093 GKRWIURBBSBRLQ-UHFFFAOYSA-N 245.388 2.549 30 20 BFED CSC1(C=NN2Cc3ccccc3C2=O)CC1 800815525 CLGLFOMIORTLLX-UHFFFAOYSA-N 246.335 2.524 30 20 BFED CC(C)CC[C@@H]1CCCC1=NNc1nc[nH]n1 807996565 YULXGYCISVAQDP-JTQLQIEISA-N 235.335 2.809 30 20 BFED C=C(Cl)COC(=O)[C@@H]1CCCCCC(=O)C1 811379320 BINOPQJFKXOKSX-SNVBAGLBSA-N 244.718 2.822 30 20 BFED Cc1ccsc1C=NNC[C@H]1CCSC1 811662301 HUQSPQZMXHGMHS-SNVBAGLBSA-N 240.397 2.733 30 20 BFED Oc1ccc(C=NOC/C=C/Cl)cc1F 811672032 OIMNMZNKXMJRCD-AODHEHMHSA-N 229.638 2.634 30 20 BFED C(=NOC1CCC1)C1Cc2ccccc2C1 812236856 XFHRNSWEMAJKMC-UHFFFAOYSA-N 215.296 2.956 30 20 BFED CCCCNN=Cc1cc(C(=O)O)c(C)cc1C 814806027 TZPFIYIOTXKWLR-UHFFFAOYSA-N 248.326 2.725 30 20 BFED CC(C)(C#N)[C@H]1CCCC1=NNCC(F)F 814853449 OIDCELLFWSCCHC-QMMMGPOBSA-N 229.274 2.547 30 20 BFED CC[C@H](O)CNN=C1CC[C@@H](c2ccccc2)C1 814935055 GSNZNQUWBNZWFB-HIFRSBDPSA-N 246.354 2.671 30 20 BFED CC1CC(=NNc2cccc(Cl)n2)C1 814939083 DMMBNDXMJRJXOQ-UHFFFAOYSA-N 209.680 2.933 30 20 BFED CC[C@H](C)CON=CCC(C)(C)C(=O)OC 814939373 ODRSTTDGLZITQK-JTQLQIEISA-N 229.320 2.624 30 20 BFED N#Cc1ccn(CC[C@H]2CC2(Cl)Cl)c1 818081012 NQBKJGMVNVBHDX-VIFPVBQESA-N 229.110 2.944 30 20 BFED C#C[C@H](CC)NC(=O)N(C1CC1)[C@@H](C)C(C)C 821567793 XJYIDPLEDAAYAK-NWDGAFQWSA-N 236.359 2.617 30 20 BFED C=C(C)CNc1ccc(C)c(C(=O)O)c1 825642428 SJGJTJOKVXJZOL-UHFFFAOYSA-N 205.257 2.681 30 20 BFED C[C@H]1CC[C@H](C)C1NCC1(C#N)CCC1 829669009 VNKUNRITDQUECW-QWRGUYRKSA-N 206.333 2.704 30 20 BFED Cc1ccoc1C(=O)/C=C\c1ccc(C(=O)O)[nH]1 832984997 UKPRPLKZCKTQHF-HYXAFXHYSA-N 245.234 2.510 30 20 BFED CC[C@H](O)CNN=C(C)[C@@H]1CCCC[C@H]1C 834980708 SUVSQELKHHZDHA-KGYLQXTDSA-N 226.364 2.549 30 20 BFED Cc1csc(C(=O)O[C@H](C)CC#N)c1 835162368 SJUIEZZHUVBRGZ-MRVPVSSYSA-N 209.270 2.516 30 20 BFED C#CCSCCOC(=O)/C=C(/C)CCC 835438770 JTMJYFMOLIILSE-KHPPLWFESA-N 226.341 2.642 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)OCCCCC1CC1 835459135 XGLMBCUTKDFJQJ-OLZOCXBDSA-N 238.327 2.701 30 20 BFED C=CC(C)(C)CNC(=O)/C=C/c1ccco1 836828488 KWFWTMQEXNENSQ-BQYQJAHWSA-N 219.284 2.621 30 20 BFED CC(C)c1cccc(CNC(=O)C#CC2CC2)c1 837538088 OEUUSVVHDPYCFL-UHFFFAOYSA-N 241.334 2.840 30 20 BFED C#CCC[C@@H](C)OC(=O)c1c(C)noc1C1CC1 839037919 AGEVNYLNYIBEKQ-SECBINFHSA-N 247.294 2.819 30 20 BFED C=CCC(F)(F)C(=O)N1C[C@H](C)[C@H](C)[C@H]1C 841365714 UCDYECFBKOXWGN-LPEHRKFASA-N 231.286 2.701 30 20 BFED CCCC(=NN(C)C[C@H](C)O)[C@@H]1CC1(C)C 841648766 WAMMJFSWOCYEBD-QWRGUYRKSA-N 226.364 2.501 30 20 BFED C=CCCCCON=C(N)c1cccs1 842019740 VWJSYONIFAGCPD-UHFFFAOYSA-N 224.329 2.741 30 20 BFED Cc1ccc(C(=O)O[C@H](C)C(C)(C)C#N)nc1C 842326132 ZOPRIPAFJDYVGM-LLVKDONJSA-N 246.310 2.794 30 20 BFED CC(C)C(=NN(C)[C@@H](C)CO)C1CCCCC1 842542292 YUCCNDAQARFEME-LBPRGKRZSA-N 240.391 2.891 30 20 BFED C#CC1CCN(C(=O)C(C)=C2CCCC2)CC1 844045797 PUCMKZAPYFTJIC-UHFFFAOYSA-N 231.339 2.749 30 20 BFED C=C(C)CON=CCCc1ccc(C)nc1 844617804 CQQXTDCVFUZKFE-UHFFFAOYSA-N 218.300 2.901 30 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SZKVLGPSTCIDEO-CYBMUJFWSA-N 230.311 2.663 30 20 BFED C=CCCC(=O)Nc1c(C)cccc1OC 195032096 WSXHZJQZMRWEMJ-UHFFFAOYSA-N 219.284 2.908 30 20 BFED CC1(C)CCCN[C@H]1CNc1ccc(C#N)cc1 232988271 ZUWZEWGDKYNVIG-AWEZNQCLSA-N 243.354 2.748 30 20 BFED N#Cc1c(Cl)cccc1N1CC[C@@H](F)C1 238528604 IVZUENSXJUKAQT-MRVPVSSYSA-N 224.666 2.760 30 20 BFED C[C@H]1[C@H](C)CCCN1c1ccc(C#N)cn1 252157528 NOAUNGGXRMSOQY-MNOVXSKESA-N 215.300 2.578 30 20 BFED CC[C@H](CC(=O)N(C)CCC#N)c1ccccc1 264073938 ONJXYXYVRXVVDH-CYBMUJFWSA-N 244.338 2.942 30 20 BFED C=CCCCCNC(=O)c1ccc(O)cc1F 274707340 PFPJOMMWYSMNNV-UHFFFAOYSA-N 237.274 2.617 30 20 BFED CCC[C@H](CCc1ccccc1)NC(=O)CC#N 274751804 VEDHWGFDWGSUMN-CQSZACIVSA-N 244.338 2.818 30 20 BFED C[C@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 275024422 AYLQEMSLUITIIM-NWDGAFQWSA-N 214.312 2.961 30 20 BFED C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CCSC1 276020380 SEFLORAIBXRKRN-PWSUYJOCSA-N 227.373 2.553 30 20 BFED CN(Cc1ccccc1F)[C@H]1CC[C@@H](C#N)C1 278739411 WKDICQCKCVKBAZ-YPMHNXCESA-N 232.302 2.950 30 20 BFED C#Cc1ccc(CN2CC[C@H](COCC)C2)cc1 281085055 UWPNMBOSXDXPCP-INIZCTEOSA-N 243.350 2.526 30 20 BFED C=CCn1c(N(C)CCC)nnc1C(C)(C)C 282693321 UJSGOIFWWQEYGM-UHFFFAOYSA-N 236.363 2.608 30 20 BFED C=CC[C@H](CC)N[C@@H](C)c1cc(C)n(C)n1 282744499 NHUPTHNIXCSBQK-RYUDHWBXSA-N 221.348 2.734 30 20 BFED C#Cc1cccc(N(C)CC2CC(OCC)C2)c1 286162567 YAMMDUXGQXPWOF-UHFFFAOYSA-N 243.350 2.919 30 20 BFED C#CC(C)(C)N(C)Cc1ccn(C2CCCC2)n1 286320112 WOWKDJFQGCIQHL-UHFFFAOYSA-N 245.370 2.842 30 20 BFED C[C@H]1C[C@@H](CCNc2ccnc(C#N)c2)CCO1 287038889 WKCZUXBPDQDRFR-RYUDHWBXSA-N 245.326 2.570 30 20 BFED C#C[C@H](C)NC(=O)Nc1cc(SC)ccc1C 287078973 JJLDBHPENPPABR-JTQLQIEISA-N 248.351 2.860 30 20 BFED C=CCN(CC=C)Cc1ccncc1C 294622434 YNSUKFYHTIJWPF-UHFFFAOYSA-N 202.301 2.564 30 20 BFED C=CC(C)(C)C(=O)Nc1cc(C)cnc1OC 297534895 BEBNGESJAGYWSN-UHFFFAOYSA-N 234.299 2.549 30 20 BFED C[C@@H](CCC#N)N1CCO[C@@H](c2ccccc2)C1 297961026 UMIJRFVKXIGNDE-DZGCQCFKSA-N 244.338 2.752 30 20 BFED C=C[C@@H](Nc1cccc(Cl)c1C)C(=O)OC 301043522 LMPFXVBAMIMHKM-SNVBAGLBSA-N 239.702 2.788 30 20 BFED CCCCN/C(N)=N/CCCC1CCCC1 303899366 RPPJMIRHHRRSMC-UHFFFAOYSA-N 225.380 2.661 30 20 BFED CC#CCCNC(=O)c1csc(Cl)c1 307055929 ZNOFMIIAJDDKDJ-UHFFFAOYSA-N 227.716 2.545 30 20 BFED CCC[C@@H](CC(C)C)C(=O)N[C@H](C)CC#N 308093708 WVGDCTFICBECHL-NEPJUHHUSA-N 224.348 2.867 30 20 BFED C=CCCCCCCNC(=O)NC1CCC1 309262268 DPLAQUFWVCBZAM-UHFFFAOYSA-N 224.348 2.975 30 20 BFED C#C[C@H](C)NCCc1ccc(C(C)C)cc1 309596484 WITFYXOHWSBGMC-ZDUSSCGKSA-N 215.340 2.964 30 20 BFED N#Cc1c(F)cccc1N[C@@H]1CC[C@H](F)C1 309633242 LKQWFMSTCFFCEC-DTWKUNHWSA-N 222.238 3.000 30 20 BFED Cc1ccoc1CNc1nccc(C)c1C#N 310507479 JJZIRMDCPZRFHO-UHFFFAOYSA-N 227.267 2.775 30 20 BFED CCC1CCC(CNc2cc(C#N)ncn2)CC1 310613392 DDOXMAVYVFDTJY-UHFFFAOYSA-N 244.342 2.977 30 20 BFED C=CCCCCNc1ncnc2scnc12 320414434 YDOXHBMIRUQDFS-UHFFFAOYSA-N 234.328 2.855 30 20 BFED COc1nnccc1N=C(O)[C@H]1CC[C@H](C)C1 329566424 HNLOLPTYICPVSR-IUCAKERBSA-N 235.287 2.509 30 20 BFED CC(C)[C@H]1CCN1C(=O)N[C@H]1CC[C@@H](CC#N)C1 331745336 CHJUEZZDFVGLSB-RWMBFGLXSA-N 249.358 2.509 30 20 BFED CSc1cc(C)ccc1NC(=O)[C@H](C)C#N 334819081 NSJYPEXNFBBBQU-SECBINFHSA-N 234.324 2.815 30 20 BFED C[C@@H](N(C)c1ncc(C#N)cc1F)C1(C)CC1 334831347 YCNXRGPAISZZGF-SECBINFHSA-N 233.290 2.717 30 20 BFED C[C@@H]1CN(C(=O)CCCC#N)c2ccccc21 335163905 ONOOOGGTUCWTPZ-LLVKDONJSA-N 228.295 2.831 30 20 BFED C=CC(C)(C)C(=O)N[C@@H]1CCC[C@@H](F)C1 335403430 ICZKZUNZIDOQJU-NXEZZACHSA-N 213.296 2.596 30 20 BFED CCC1(C(=O)N2CCC(C)(C#N)CC2)CCC1 335783460 XGWOCBLLIWITRV-UHFFFAOYSA-N 234.343 2.719 30 20 BFED Cc1ccc(NC(=O)NCC(C)(C)C#N)cc1F 335804334 FVPCSZVFFNRUAN-UHFFFAOYSA-N 249.289 2.805 30 20 BFED C=C[C@H](C)NC(=O)N1CCc2cc(C)ccc2C1 336077081 MLNXNWQHWYSZMB-LBPRGKRZSA-N 244.338 2.637 30 20 BFED C=CCn1cccc1C(=O)N1CC[C@@H](C)[C@@H]1C 336206575 DQDUJAZDBUSCSQ-NEPJUHHUSA-N 232.327 2.545 30 20 BFED CC(C)(C#N)CNC(=O)NC1(C)CCCCC1 336472535 CBWMSPPYPHMJMI-UHFFFAOYSA-N 237.347 2.558 30 20 BFED C[C@H](CC(F)(F)F)N[C@H]1CC[C@H](C#N)C1 336747840 CTGDOFPTZLDLHU-VGMNWLOBSA-N 220.238 2.609 30 20 BFED Cc1cc(NCCSC(C)C)cc(C#N)n1 336756380 YMQCJHDGIFJEMI-UHFFFAOYSA-N 235.356 2.815 30 20 BFED C=C(CC)CNc1cccc2c1OCCO2 336781711 VJFBKPUEWJCDKF-UHFFFAOYSA-N 219.284 2.836 30 20 BFED C=CCNC(=O)c1ccc(N(C)CCCC)cc1 338641763 LNKBLIGJLIUNNR-UHFFFAOYSA-N 246.354 2.839 30 20 BFED C[C@@H](C#N)C(=O)NCCCCCc1ccccc1 347130411 IGXILQOKZSKARG-ZDUSSCGKSA-N 244.338 2.675 30 20 BFED CC[C@H](CC(=O)N(CC#N)C1CC1)C(C)C 354881078 DSHKSJMPFCHFMN-LLVKDONJSA-N 222.332 2.573 30 20 BFED C=CCCC1(C(=O)NCC2(SC)CC2)CC1 357175152 UXUISDOEEYPQJX-UHFFFAOYSA-N 239.384 2.745 30 20 BFED COc1ccc(OCCC#N)c2nc(C)ccc12 358230790 XDLDHZRVEMWNTO-UHFFFAOYSA-N 242.278 2.844 30 20 BFED C=C[C@@H](C)NC(=O)CCc1cc(F)ccc1F 362587791 NCEJUBXILMJLKP-SECBINFHSA-N 239.265 2.588 30 20 BFED CSCCCC=NOC/C=C/Cl 378860899 PWFGMWRRKGUHFX-FEFHQRAASA-N 207.726 2.885 30 20 BFED C[C@H](Nc1cncc(C#N)n1)C1CCCCC1 401225160 GYOKPBTVSFLIGW-JTQLQIEISA-N 230.315 2.729 30 20 BFED C[C@@H]1CCC[C@H](Nc2cncc(C#N)n2)[C@@H]1C 401242190 WEHKSIFKPLPSCR-FOGDFJRCSA-N 230.315 2.585 30 20 BFED CCC[C@H](C#N)N(C)C(=O)c1ccsc1C 410838335 XNMZBQLFUIUOLO-SNVBAGLBSA-N 236.340 2.821 30 20 BFED N#CCCSc1ccc(C(F)(F)F)nn1 413465924 BCWPEQPLELZTIR-UHFFFAOYSA-N 233.218 2.501 30 20 BFED COCCC[C@@H](C)NCc1ccc(C#N)s1 421869469 DTSNFVFLDIWGND-SNVBAGLBSA-N 238.356 2.524 30 20 BFED COC(=O)c1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 442883024 UBZOFDWNRCIGAG-MFKMUULPSA-N 244.294 2.577 30 20 BFED C[C@@H]1CN(C(=O)[C@@]2(C#N)C[C@H]2C)c2ccccc21 448714888 QWJDQGFSZIESMV-UEKVPHQBSA-N 240.306 2.686 30 20 BFED C[C@H](NC(=O)[C@]1(C#N)C[C@@H]1C)C1CCCCC1 449932484 UQIJRYCSVAOUDI-MJVIPROJSA-N 234.343 2.621 30 20 BFED C=C(C)CCN[C@H]1C[C@](C)(OC)C1(C)C 451498610 WVIALJATMOFXGJ-AAEUAGOBSA-N 211.349 2.746 30 20 BFED C=C(C)CCNC(=O)Cc1cc(C)ccc1F 452744205 VQNZBJDLONOXDS-UHFFFAOYSA-N 235.302 2.759 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@H]1CCC12CCCC2 453345936 GKBSXIUGNYBSHJ-AGIUHOORSA-N 221.344 2.642 30 20 BFED C=C(CC)CNC(=O)N1CC[C@@H](C)[C@H](C)C1 455514925 ARACHKPEWKGNST-VXGBXAGGSA-N 224.348 2.640 30 20 BFED C#CCN(C(=O)[C@@H](C)c1cccc(C)c1)C1CC1 491628759 NXZGIOSTZBMHKF-ZDUSSCGKSA-N 241.334 2.723 30 20 BFED C#C[C@H](C)N(C)Cc1c[nH]nc1-c1ccsc1 491636913 XVSVHVRTLXZEPR-JTQLQIEISA-N 245.351 2.592 30 20 BFED C#C[C@@H](NC(=O)C(C)C)c1ccc(Cl)cc1 491651733 IQJCNQOSHUBVLX-GFCCVEGCSA-N 235.714 2.787 30 20 BFED C#C[C@@H](CCC)NC(=O)/C=C/C1CCCC1 491745029 WUYOBXUAXUAEAL-NHAQELONSA-N 219.328 2.651 30 20 BFED C#CCN(CC#N)Cc1ccc2ccccc2c1 491819220 SGTHZWFRWJZKCI-UHFFFAOYSA-N 234.302 2.799 30 20 BFED C[C@@H]1[C@@H](NCCc2cccc(C#N)c2)C[C@H]1C 494981232 SGYYVNVFZREHAY-XUJVJEKNSA-N 228.339 2.735 30 20 BFED CCCN(C(=O)CC(C)(C)C#N)C(C)C 515864677 KSORXWYRNHKZPT-UHFFFAOYSA-N 210.321 2.573 30 20 BFED C=CCCC[C@@H](C)Nc1cc(COC)ncn1 516596267 PKXLFVOGRCGFHO-LLVKDONJSA-N 235.331 2.780 30 20 BFED N#Cc1c(F)cccc1CSc1cnccn1 562350348 DJVPLGAYJYNBKJ-UHFFFAOYSA-N 245.282 2.780 30 20 BFED C=CC1CCN(Cc2ncc(CC)o2)CC1 572823292 OZFIAVHHZHHYLV-UHFFFAOYSA-N 220.316 2.635 30 20 BFED C=CCCCCCN[C@](C)(C(=O)OC)C1CC1 573752074 NULOHGXBIHPIAY-AWEZNQCLSA-N 239.359 2.664 30 20 BFED C=CCCCCCn1cc(C)cc(C#N)c1=O 574201826 FMGFNIQMQAHZHI-UHFFFAOYSA-N 230.311 2.775 30 20 BFED CCc1nocc1COc1cccc(F)c1C#N 578838026 JOACZPJVLDRWIK-UHFFFAOYSA-N 246.241 2.827 30 20 BFED CC[C@@H](Nc1nc(C)cc(C#N)n1)C(C)(C)C 581505255 BSXXXSPPLYKZLV-LLVKDONJSA-N 232.331 2.893 30 20 BFED CC(C)C(CN1CC[C@](F)(C#N)C1)C(C)C 585767565 RQDQFAYYKPXEON-ZDUSSCGKSA-N 226.339 2.852 30 20 BFED N#CCCCCCC(=O)NCC1(C(F)F)CC1 588165695 DWSIBEZYBMRWKH-UHFFFAOYSA-N 244.285 2.622 30 20 BFED Cc1ncsc1/C=C\C(=O)c1ccncc1 588386353 ISHCKCALAIQPNX-IHWYPQMZSA-N 230.292 2.743 30 20 BFED N#CCCCCCC(=O)N[C@@H]1C[C@H]1C1CCC1 591795837 FONWIQXUPPGCKX-QWHCGFSZSA-N 234.343 2.765 30 20 BFED COC(=O)c1ccccc1CS[C@H](C)C#N 593438169 ZXGGOXOHMHBYNC-SECBINFHSA-N 235.308 2.618 30 20 BFED CCN(CC#N)Cc1cccc2c1CCC2 593567625 BMJGIYOFIPUHJA-UHFFFAOYSA-N 214.312 2.521 30 20 BFED CC[C@@H](C#N)C(=O)N[C@@H]1C[C@H]1c1ccccc1C 593786655 ORHLYHQLEOXRJH-FPMFFAJLSA-N 242.322 2.517 30 20 BFED N#Cc1ccc(CCNC2(C3CC3)CC2)cc1 595433536 XPDLQHCFTYYBIV-UHFFFAOYSA-N 226.323 2.633 30 20 BFED C[C@H](C#N)N(Cc1ccc(C#N)cc1F)C1CC1 595718222 RWPYBCHNMFESIP-SNVBAGLBSA-N 243.285 2.574 30 20 BFED C[C@@H]1CC=C(C(=O)N2CCC[C@H](CC#N)C2)CC1 597901108 GMJDZTZUTLZIAE-CHWSQXEVSA-N 246.354 2.885 30 20 BFED CC(C)(C)CCCNC[C@@H](O)CC(C)(C)C#N 598722011 YHFLHGHFZOSJTN-LBPRGKRZSA-N 240.391 2.703 30 20 BFED CC[C@H](C)[C@H](C)NC(=O)c1ccccc1CC#N 601015698 NOIAAEJGAPYADP-RYUDHWBXSA-N 244.338 2.917 30 20 BFED C[C@H](CCC#N)CN1CCC[C@H](CC#N)C1 602705426 LYWKHKOKTPTVIZ-CHWSQXEVSA-N 219.332 2.552 30 20 BFED C[C@@H]1OCC[C@H]1CN(CCC#N)CC(C)(C)C 602780787 RWFKUTYRQGINDT-STQMWFEESA-N 238.375 2.673 30 20 BFED CCc1ccc(C(=O)N[C@H](C#N)CC(C)C)cc1 608824390 XVSKHTDINXMNBQ-AWEZNQCLSA-N 244.338 2.917 30 20 BFED C[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)C1CCCC1 612233468 RROLEIFSPCLABI-IUODEOHRSA-N 248.370 2.965 30 20 BFED N#Cc1ccc2c(c1)CC[C@H]2NCc1ccncc1 618741504 GRYIYAIWXKMXBB-MRXNPFEDSA-N 249.317 2.730 30 20 BFED C=CC(C)(C)CCNC(=O)[C@]12CCC[C@@H]1C2 628311982 JGFXCYGFJWEYPX-RISCZKNCSA-N 221.344 2.895 30 20 BFED C=CCCOCCNCc1ccc(C)cc1F 631100966 HNKRXKOWBZMIBZ-UHFFFAOYSA-N 237.318 2.816 30 20 BFED COCC#CCOc1cnc2c(C)cccc2c1 643272945 QXSITPVIXYGRBO-UHFFFAOYSA-N 241.290 2.572 30 20 BFED C=CCCNC1(c2noc(C(F)F)n2)CCC1 644721919 GWDRQYIAJLTNHY-UHFFFAOYSA-N 243.257 2.552 30 20 BFED C=CCCCCN(C)[C@H](CO)C(C)(C)C 649390827 HWNQAPSVOBTBMW-GFCCVEGCSA-N 213.365 2.682 30 20 BFED C=CCC[C@H](O)CN1CCC[C@@H](CC=C)C1 661381124 VTJTZJYQWUOPEA-KGLIPLIRSA-N 223.360 2.602 30 20 BFED C=CC[C@H]1CCCN(Cc2cncc(OC)c2)C1 661385412 OIXHABLCNNOOAS-ZDUSSCGKSA-N 246.354 2.878 30 20 BFED C=C(C)CCN1CCOC(C2CC2)(C2CC2)C1 661992693 ADIKGAWVCQDKLI-UHFFFAOYSA-N 235.371 2.844 30 20 BFED C=C(C)c1ccc([C@@H](C)S(C)(=O)=O)cc1 665176565 FRXCQYNAFRPDPR-SNVBAGLBSA-N 224.325 2.825 30 20 BFED C=C(C)[C@@H](CC(=O)NC[C@H](C)C1CC1)OCC 677302145 JPVATNOLJJMLOY-WCQYABFASA-N 239.359 2.520 30 20 BFED C#CCN(CCCCC(=O)O)C1CCCCC1 708470544 OZYIWTYTNSOPGC-UHFFFAOYSA-N 237.343 2.509 30 20 BFED CCCCCCCNCc1cn(CCC)nn1 714427503 KBJZHACBKXTLLF-UHFFFAOYSA-N 238.379 2.748 30 20 BFED C[C@H](C#N)OC(=O)c1ccccc1OCC1CC1 725965091 ZJHOWCBPVORQSG-SNVBAGLBSA-N 245.278 2.544 30 20 BFED C#Cc1ccc(C(=O)Oc2ccc(C)cc2)nc1 728799258 SQMQBGCSLUXENP-UHFFFAOYSA-N 237.258 2.591 30 20 BFED C[C@H]1CCCC1=NNc1ccc(F)cn1 731319183 OZFMEXMNBVEAEY-QMMMGPOBSA-N 207.252 2.809 30 20 BFED C[C@@H](C#N)OC(=O)c1ccc(-c2ccccc2)[nH]1 732388672 UOQZBZSPTMWEPV-JTQLQIEISA-N 240.262 2.751 30 20 BFED C[C@H](C#N)OC(=O)CCc1cc(Cl)cs1 736946378 QOLCIXGJTBWEBG-SSDOTTSWSA-N 243.715 2.789 30 20 BFED FC(F)CNN=C1CCCc2ccccc21 740616651 PZGINFJQCWERLO-UHFFFAOYSA-N 224.254 2.582 30 20 BFED Fc1ccc(F)c(C=NOCc2cccnc2)c1 746585978 PVLUWYLDIMFMAU-UHFFFAOYSA-N 248.232 2.911 30 20 BFED CCCCCCCCC(=O)N(CC#N)CC#N 749603129 AHTXGPSGKMXRDA-UHFFFAOYSA-N 235.331 2.613 30 20 BFED C#CC(=O)NC1CCC(C)(c2ccccc2)CC1 754086382 XWGGYBVRQMPSKG-UHFFFAOYSA-N 241.334 2.636 30 20 BFED CCC(=NNc1ccccc1)c1nccn1C 755461654 KCIOAPWGWAMUMU-UHFFFAOYSA-N 228.299 2.646 30 20 BFED CC(C)(C)CC=NN1C(=O)c2ccccc2C1=O 755467756 MONMNPIQJOBTIK-UHFFFAOYSA-N 244.294 2.705 30 20 BFED Cc1ccsc1C=NO[C@H]1CCCCO1 755815675 AEOSSANWHOVGEZ-NSHDSACASA-N 225.313 2.934 30 20 BFED Cc1ccnc(NN=Cc2scnc2C)c1 755904626 ZORHEKSRSGSXPG-UHFFFAOYSA-N 232.312 2.601 30 20 BFED C=CC[C@@H](CO)CN[C@@H](C)c1ccc(C)cc1O 756786480 LUZFTNBVVHDPAD-QWHCGFSZSA-N 249.354 2.536 30 20 BFED C=C[C@@H](C)NC(=S)N[C@H](C)c1ccccc1 756795896 IWABTRYDWIHANI-GHMZBOCLSA-N 234.368 2.786 30 20 BFED CCCNN=C1C[C@H](C)N(Cc2ccccc2)C1 757581707 ZOESQYWGXYAGFD-ZDUSSCGKSA-N 245.370 2.636 30 20 BFED C#CCCCC(=O)N(Cc1ccc(C)o1)C1CC1 758097772 ZDOVGAMRFCDDGL-UHFFFAOYSA-N 245.322 2.883 30 20 BFED CC#CCCOC(=O)CC1CCCCC1 760281696 ADOUHUKCQHCDMY-UHFFFAOYSA-N 208.301 2.913 30 20 BFED C[C@@H](NCc1cccc(C#N)c1)c1ccc[nH]1 760444035 CWURBKFVXIFEES-LLVKDONJSA-N 225.295 2.737 30 20 BFED 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30 20 BFED CC#CCOC(=O)c1cc(O)c2ccsc2c1 786137342 LORQRQOGFIMJRC-UHFFFAOYSA-N 246.287 2.787 30 20 BFED C=C[C@@H]1CCCCN1C(=O)NOC1CCCC1 787305029 VCEJJLAXCCOIDA-LLVKDONJSA-N 238.331 2.611 30 20 BFED CC(C[C@@H](C)CC(C)C)=NN[C@H]1CCOC1 788446392 LCKAUZAWHQZQOA-AAEUAGOBSA-N 226.364 2.813 30 20 BFED CC1(C)CCC1=NNc1nccnc1Cl 789017687 JXLLQVSHSBSZOL-UHFFFAOYSA-N 224.695 2.718 30 20 BFED COc1cccc(C=NNc2ccccc2F)n1 790153077 CBTJAVPZGKACSM-UHFFFAOYSA-N 245.257 2.675 30 20 BFED C#CCC(C)(C)C(=O)OCC1(OC)CCCC1 791445488 ICHFKFSHGZXYAM-UHFFFAOYSA-N 238.327 2.538 30 20 BFED C[C@@H]1CCC[C@H](C=NNc2ncncc2F)C1 793217250 DEOKPZIKQDDIMH-ZJUUUORDSA-N 236.294 2.840 30 20 BFED C#CCCCNC(=O)[C@@H](F)CC1CCCCC1 793578332 JEKAPIPPRREALB-ZDUSSCGKSA-N 239.334 2.825 30 20 BFED C#CCCCSC[C@@H]1CCC[C@H](O)C1 793949662 DYOOJAQAXHOBTQ-NEPJUHHUSA-N 212.358 2.684 30 20 BFED CCCC[C@@H]1CCCC1=NN(C)CCOC 794974900 SROCJVTVQMMHEN-GFCCVEGCSA-N 226.364 2.911 30 20 BFED c1ncc(NN=C2CCC[C@@H](C3CC3)C2)cn1 794977937 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235.371 2.929 30 20 BFED C[C@@H](OC(=O)C#CC(C)(C)C)c1ccncc1 838371928 COBZMCCMUFCARC-LLVKDONJSA-N 231.295 2.735 30 20 BFED N#C[C@@H]1CCC[C@H](OC(=O)Cc2ccsc2)C1 839057653 PNDFBKOZFXEHNU-PWSUYJOCSA-N 249.335 2.916 30 20 BFED CCCc1ccc(C(C)=NN(C)[C@@H](C)CO)cc1 842544629 VFTPXWIYLRASTN-LBPRGKRZSA-N 248.370 2.676 30 20 BFED CCON(C(=O)Nc1cccc(C#N)c1)C(C)C 843314146 KVGWFLKWHXGBFE-UHFFFAOYSA-N 247.298 2.752 30 20 BFED C=C(C)CN(C)C(=O)/C=C/C1CCCC1 843573880 HXOUIOSQXGVVSR-CMDGGOBGSA-N 207.317 2.767 30 20 BFED C=CCCCCCN(C)C(=O)NOCC(=C)C 845598385 PLMYCAJJMHVIIY-UHFFFAOYSA-N 240.347 2.882 30 20 BFED C[C@H](CC(C)(C)C#N)OC(=O)CCCC#N 851203681 CUMLEVOREZDUNY-SNVBAGLBSA-N 222.288 2.552 30 20 BFED C#C[C@@](C)(CC)NCCOc1cccc(C)c1 852098226 HTIINOBBZMHPBS-HNNXBMFYSA-N 231.339 2.765 30 20 BFED C[C@@H]1CCCCN1N=CCC1CCOCC1 853379701 LVVZUARTSWCXBF-GFCCVEGCSA-N 224.348 2.663 30 20 BFED C=CCCONC(=O)c1ccc2c(c1)CCCC2 856029282 HHSDUEJSDJPMNE-UHFFFAOYSA-N 245.322 2.803 30 20 BFED C=C(CC)COC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 860137048 CLFRADLQOWAFNL-WYUUTHIRSA-N 226.316 2.555 30 20 BFED C#CC[C@@H](OC(=O)c1conc1CC)C(C)(C)C 860656588 LPZMZZLSGDZGST-GFCCVEGCSA-N 249.310 2.832 30 20 BFED CC#CCCCCOC(=O)c1cnn(C2CC2)c1 860666274 QLRGFKQVIUXDJL-UHFFFAOYSA-N 246.310 2.568 30 20 BFED N#CCCN(CCCC1CC1)CC1CC1 878159415 LJUJRHMCHOSBLR-UHFFFAOYSA-N 206.333 2.802 30 20 BFED N#Cc1ccc2nc(N3C[C@H]4C=C[C@H]3C4)ccc2c1 882948539 ZTNRLTLLNFCNBE-JSGCOSHPSA-N 247.301 2.871 30 20 BFED C[C@H](NC(=O)Nc1cc(C#N)ccc1F)C1CC1 888352205 KIQQHJVNIIJZLF-QMMMGPOBSA-N 247.273 2.617 30 20 BFED CN(CC1CCCC1)c1ccc(C#N)cc1CO 892126034 VMROPSCPBPTQML-UHFFFAOYSA-N 244.338 2.677 30 20 BFED Cc1nn(C(C)C)c(C)c1CNCCCCC#N 892930386 VPWKEQJESWJKNL-UHFFFAOYSA-N 248.374 2.864 30 20 BFED CCCSC[C@@H](C)NCCCCC#N 892930659 YKRLBFQUPVZLFN-LLVKDONJSA-N 214.378 2.802 30 20 BFED C=CC[C@H](C)NCc1cnc(F)cc1C 892949870 GOODYVLTPDUJFU-JTQLQIEISA-N 208.280 2.583 30 20 BFED C=CC1(OC(=O)COc2ccccc2C)CC1 893365478 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2.540 30 20 BFED C=CC(C)(C)CNC(=O)c1c(C)noc1C1CC1 1117798257 YXHNUKWSRFSQAZ-UHFFFAOYSA-N 248.326 2.802 30 20 BFED C#CC1CCN(C(=O)[C@@](C)(F)CCCC)CC1 1118715274 ZPIIGVGVZCOVBR-AWEZNQCLSA-N 239.334 2.777 30 20 BFED C#C[C@H](NCCc1ccc(F)cc1F)C(C)C 1261180090 WYIURWKUNIYJHR-AWEZNQCLSA-N 237.293 2.755 30 20 BFED Cc1nnc([C@H](C)Cc2ccc(C#N)cc2)o1 1261571700 KQLDNUQDMDWNQU-SECBINFHSA-N 227.267 2.596 30 20 BFED CC(=NNCC1CCOCC1)c1ccccc1C 1318599093 ALEPPYZJAPPGPP-UHFFFAOYSA-N 246.354 2.735 30 20 BFED C=CCCCOC(=O)[C@@H]1CCCCN1CCC 1318722227 FZSQSAFYXDBFSR-ZDUSSCGKSA-N 239.359 2.760 30 20 BFED C[C@H](NN=Cc1cccc2cn[nH]c12)C(C)(C)C 1324358720 WZZIYXLHTYRDHR-JTQLQIEISA-N 244.342 2.921 30 20 BFED C[C@@H]1CN(C(=O)c2csc(C#N)c2)[C@H](C)[C@@H]1C 1328692824 DAZYMNQSSORNTB-OPRDCNLKSA-N 248.351 2.736 30 20 BFED CCCCCCCNc1cc(C)nc(CO)n1 1329753520 IMDHWFHKXNXKGB-UHFFFAOYSA-N 237.347 2.660 30 20 BFED CCCc1ccn(Cc2ccc(C#N)s2)n1 1332438110 NRAWPFFPSRFMQP-UHFFFAOYSA-N 231.324 2.817 30 20 BFED C=C(C)[C@H](C)OC(=O)c1ccnn1[C@@H](C)CC 1343308954 RUHKWQGYXXJWFB-QWRGUYRKSA-N 236.315 2.976 30 20 BFED C=C[C@@H](C(=O)N[C@H](C)CC)c1ccccc1 1347175898 CHSHICITZCUURG-DGCLKSJQSA-N 217.312 2.871 30 20 BFED C[C@@H](C#N)Sc1nc2ncccc2s1 1459212133 AVBTZRVEYWYSSB-LURJTMIESA-N 221.310 2.695 30 20 BFED C=CCCC[C@H](C)NCc1c[nH]c(C(=O)O)c1 1588786129 MMZKKEBBWTXUEI-JTQLQIEISA-N 236.315 2.547 30 20 BFED C=C(C)CCCN1CC2(CCC2)C[C@@H]1C(=O)O 1776138712 HMKUBGBSDRHFGS-GFCCVEGCSA-N 237.343 2.672 30 20 BFED C[C@H]1CCCC[C@@H]1Nc1cc(C#N)ccn1 19509139 PDDURXFTMNNAJI-JQWIXIFHSA-N 215.300 2.944 30 20 BFED CCN1CCC(Nc2ccc(C#N)cc2F)CC1 38098337 YHKXFVREXIKESF-UHFFFAOYSA-N 247.317 2.594 30 20 BFED C[C@@H](C#N)CN(C)Cc1cccc(F)c1F 42324435 ZZWWOQBMAINNDZ-VIFPVBQESA-N 224.254 2.556 30 20 BFED N#Cc1ccc(NC[C@H]2CC=CCC2)nc1 44572605 FLCGTUOVCNOQOP-NSHDSACASA-N 213.284 2.721 30 20 BFED CC[C@@H](C#N)C(=O)Nc1cccc2cccnc12 44809280 WSVMUXJPPREXII-JTQLQIEISA-N 239.278 2.723 30 20 BFED CC[C@H](C#N)C(=O)Nc1ccc(C)cc1C 44810734 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232.674 2.576 30 20 BFED N#Cc1ccc(CNC2CCC3(CC2)CC3)nc1 752945668 VBXLNHAHNOAIDB-UHFFFAOYSA-N 241.338 2.766 30 20 BFED C#CC(=O)N(C)C1CCC(C(C)(C)C)CC1 753931984 MKUFUTHYECOJEZ-UHFFFAOYSA-N 221.344 2.683 30 20 BFED C[C@@H]1C[C@H]1C=NNc1ccc(C(F)(F)F)nn1 754711325 WJGAGQZUIYWIDN-RQJHMYQMSA-N 244.220 2.549 30 20 BFED CCCCCCC=NNc1ncccn1 755633823 GILHZSWDXFOJIP-UHFFFAOYSA-N 206.293 2.845 30 20 BFED C=C(C)CNC(=S)N[C@@H]1CCC[C@@H]1CC 756807642 IPQZKERFEKSCIW-WDEREUQCSA-N 226.389 2.605 30 20 BFED C#CCCCNC(=O)c1cc(Cl)cs1 757974138 ZFVGJQUAXXXCOZ-UHFFFAOYSA-N 227.716 2.545 30 20 BFED C=CCCC(C)=NNCc1ccc(C#N)cc1 758128062 CMLFHSQWWIKNQZ-UHFFFAOYSA-N 227.311 2.990 30 20 BFED C=C(C)CNC(=S)N1CC[C@H](C)C(C)(C)C1 758939228 BCGZTUWVJDCBLY-NSHDSACASA-N 240.416 2.805 30 20 BFED C[C@H]1CCC(=NNc2cnn(C)c2)C[C@@H]1C 761871034 XENHSWVUIGUFPB-UWVGGRQHSA-N 220.320 2.644 30 20 BFED CC(C)[C@@H]1CCCCC1=NN1CCOCC1 764658773 PYEKSIXTWDONKO-LBPRGKRZSA-N 224.348 2.521 30 20 BFED CN(C)c1ccc(C=NOCC(F)(F)F)cc1 764845341 UVISOFSDIDHOEX-UHFFFAOYSA-N 246.232 2.665 30 20 BFED C#CCCCOc1cc(OCC)ccc1C=O 766285239 RGQKNUYFLSCURI-UHFFFAOYSA-N 232.279 2.690 30 20 BFED C=CCCCOC(=O)c1cc(C)sn1 769291859 IQSWFMWLTHGPCM-UHFFFAOYSA-N 211.286 2.575 30 20 BFED CO[C@@H]1CCC[C@@H]1C/N=C/c1ccccc1O 774542573 PLXYMIGWRFWPNN-FOUVODNDSA-N 233.311 2.626 30 20 BFED C#C[C@H](C)N(C)Cc1cccc(OCC=C)c1 775182517 AZQHMEVFGYKBSZ-ZDUSSCGKSA-N 229.323 2.705 30 20 BFED Clc1ccnc(NN=Cc2cccnc2)c1 777907163 TYXQASDWXFKYHT-UHFFFAOYSA-N 232.674 2.576 30 20 BFED Cc1ccc(C(F)(F)C(=O)O[C@@H](C)C#N)cc1 780191830 NRKDWCHZDUCVRR-VIFPVBQESA-N 239.221 2.542 30 20 BFED CCN(CCC#N)C[C@@H]1CCc2ccccc21 780293462 WGJPMELMTSHWSO-AWEZNQCLSA-N 228.339 2.952 30 20 BFED C#CCCCCCC(=O)Nc1cc(OC)ccn1 780677558 KRMUYACLPSJAIJ-UHFFFAOYSA-N 246.310 2.612 30 20 BFED C=CCNC(=S)N1C[C@H](C)[C@H]2CCCC[C@H]21 782207100 OXGDQQIFTIAVLX-QJPTWQEYSA-N 238.400 2.557 30 20 BFED C=CCCCCCOC(=O)[C@H]1C[C@H]1OCC 783045211 GVZKMJRHAOCGKE-NWDGAFQWSA-N 226.316 2.701 30 20 BFED C=CCCCOC(=O)c1c[nH]nc1-c1ccoc1 789085701 NZCHJQGTSORDCB-UHFFFAOYSA-N 246.266 2.793 30 20 BFED CCO[C@H]1CC(=NN[C@@H](C)CC)C12CCC2 790184142 RLCDDYABWJXOPQ-JQWIXIFHSA-N 224.348 2.710 30 20 BFED Cn1ccnc1NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 790302144 NWHSREMXXBAGOR-KXNHARMFSA-N 244.342 2.644 30 20 BFED CC(C)OCCON=C[C@]1(C)CCCS1 793054539 GQVHOMALUMATEE-NSHDSACASA-N 231.361 2.700 30 20 BFED COCCN(C)N=C1CCC(C)(C)CC1 794966538 SNGKHNXNSATDFS-UHFFFAOYSA-N 212.337 2.521 30 20 BFED C=CCNN=Cc1cc(C)n(CC(C)C)c1C 794998998 RHUORRDIELDYMK-UHFFFAOYSA-N 233.359 2.870 30 20 BFED C[C@@H]1CCCC1=NNc1cccc(F)n1 795008143 WYRANEWDJJPOIT-MRVPVSSYSA-N 207.252 2.809 30 20 BFED N#Cc1ccc(C(=O)OCC23CCC(CC2)C3)o1 797244166 UBHAOWVOYWGCCJ-UHFFFAOYSA-N 245.278 2.888 30 20 BFED CC[C@@H]1CC[C@H](C)CC1=NN[C@@H](C)COC 797403689 VLCAGCUQVRHPQG-SDDRHHMPSA-N 226.364 2.813 30 20 BFED Cc1ccc2c(c1)SCC2=NNC1CC1 797786294 PAQQZJGPIWEURT-UHFFFAOYSA-N 218.325 2.557 30 20 BFED C#C[C@@H](NC(=O)[C@@H](C)C1CCCC1)C(C)C 799046394 HCFDKDXXCDJDEE-WCQYABFASA-N 221.344 2.587 30 20 BFED C=C[C@@H]1CCCCN1C(=O)c1cc(C)cc(C)n1 800965364 GTUUHEDXJDVMDK-CYBMUJFWSA-N 244.338 2.879 30 20 BFED N#Cc1c(Cl)nsc1N1CCC[C@@H]2C[C@H]21 804784396 OFEUNFJDHWPMSD-HTRCEHHLSA-N 239.731 2.657 30 20 BFED C=C[C@@](C)(CC)C(=O)OCCOCCCC 805534165 CDZMAGHAJAFZLR-ZDUSSCGKSA-N 228.332 2.949 30 20 BFED Cc1ccc(NN=Cc2cn(C(C)C)nn2)cc1 807944251 ZOODIOAMDVUFCU-UHFFFAOYSA-N 243.314 2.613 30 20 BFED CC(=NN[C@@H]1CCSC1)c1cccs1 808001824 GMRHDLHVLNYICL-SECBINFHSA-N 226.370 2.567 30 20 BFED C=CCCCCOC(=O)C[C@@H]1CCC(=O)[C@H]1C 811013464 WSNWXYMXUHNRTE-RYUDHWBXSA-N 238.327 2.891 30 20 BFED CC[C@H](O)CNN=Cc1cc2ccccc2s1 811652944 CJSMNWBCLYKTEQ-NSHDSACASA-N 248.351 2.596 30 20 BFED C[C@H](C#N)OCCOc1cccc(C2CC2)c1 818087968 BBTUYEHDQQTCBL-LLVKDONJSA-N 231.295 2.871 30 20 BFED CC#CCN(C)C(=O)c1ccccc1CC(C)C 819249533 QFXAJAYVFOXCEE-UHFFFAOYSA-N 243.350 2.980 30 20 BFED CC1(C)CC[C@H](OC(=O)c2c[nH]c(C#N)c2)C1 820588400 OQAHOESFNSLBCI-NSHDSACASA-N 232.283 2.622 30 20 BFED C=CC(C)(C)C(=O)N[C@@H](C)COc1ccccc1 822632987 CCHBYGHZAAAAGT-LBPRGKRZSA-N 247.338 2.782 30 20 BFED C#CC1CCN(CCOc2ccc(C)cc2)CC1 830311799 VGKKGCWIVGFBBT-UHFFFAOYSA-N 243.350 2.719 30 20 BFED C#C[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccccc1C 834381380 MHEZAPCZYXYQOU-VHDGCEQUSA-N 241.334 2.627 30 20 BFED N#Cc1ccc(CN[C@H](C2CCC2)C2CC2)nc1 834774781 RLHXYXIBDQVSHB-OAHLLOKOSA-N 241.338 2.622 30 20 BFED C[C@@H]1O[C@H](C)CC1=NNc1ccccc1F 834937907 YOXUSAVACOLWAO-BDAKNGLRSA-N 222.263 2.791 30 20 BFED COc1nccnc1NN=C1C[C@@H](C)CC[C@H]1C 834968806 ICBNDYIBUFSSIY-VHSXEESVSA-N 248.330 2.709 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H]1CCC[C@@H](C)C1 835102086 ZNFFVXBWFBMBTB-LPWJVIDDSA-N 238.327 2.699 30 20 BFED C=CC(C)(C)COC(=O)[C@@]1(C)CCCOC1 835723088 MSEOTSVMSMTKBW-ZDUSSCGKSA-N 226.316 2.559 30 20 BFED CCC[C@H](CC(C)C)C(=O)O[C@@H](C#N)COC 838250651 AYXSTCRXWCKERQ-NEPJUHHUSA-N 241.331 2.531 30 20 BFED CC/C=C(\C)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839053038 RKYDPWBMUGJNQU-VDUSXYPOSA-N 221.300 2.968 30 20 BFED CCCCCCC(C)=NN1CCOCC1 839384794 HKSWVOHNJNXFRI-UHFFFAOYSA-N 212.337 2.665 30 20 BFED Cc1ccc(OCCO[C@@H](C)C#N)cc1Cl 840212580 JTLNKSAECXGICC-JTQLQIEISA-N 239.702 2.956 30 20 BFED COC1(CC/N=C/c2ccccc2O)CCC1 840706443 MHSAIHYJCKKLLQ-RVDMUPIBSA-N 233.311 2.770 30 20 BFED C=CCNC(=S)N1CC[C@H](CC(C)(C)C)C1 840835121 VWQKWGPHFXZDKD-LLVKDONJSA-N 240.416 2.805 30 20 BFED C#C[C@@H](OC(=O)[C@H]1CCSC1)c1ccccc1 842390065 VRJRJZXHFADHPD-QWHCGFSZSA-N 246.331 2.657 30 20 BFED C#CCCCC(=O)O[C@H](C#C)c1ccc(F)cc1 842406949 ITONRTVLBDCEKL-CQSZACIVSA-N 244.265 2.847 30 20 BFED C=C(C)CON=C(C)c1ccc(OC)c(O)c1 844620380 VJIZXFOAVBMLPV-UHFFFAOYSA-N 235.283 2.718 30 20 BFED C=C[C@@H](C)ON=C(C)Cc1ccc(OC)nc1 844620435 KXNIPJCLJIPOIN-LLVKDONJSA-N 234.299 2.600 30 20 BFED C=C[C@H](C)ON=Cc1c(C)nc2sccn12 844624045 SURLRGZFOBKLFK-QMMMGPOBSA-N 235.312 2.629 30 20 BFED C=C(C)CONC(=O)NC(C)(C)c1ccccc1 845594730 LRVQYMCWPMMMCP-UHFFFAOYSA-N 248.326 2.729 30 20 BFED C=C(C)CONC(=O)N1C[C@@H](C)CC(C)(C)C1 845606359 QXXIVHOHLDFIEV-NSHDSACASA-N 240.347 2.572 30 20 BFED C=C[C@H](C)ONC(=O)c1ccccc1SC 846541726 LQHNSTSWRNBPMV-VIFPVBQESA-N 237.324 2.644 30 20 BFED C=C[C@@H](C)ONC(=O)c1c(C)cc(C)cc1C 846546609 DFHKISOEIDJEMW-GFCCVEGCSA-N 233.311 2.848 30 20 BFED C=CCOC(=O)c1cccc(C2CC2)c1 847626753 HCHHUUSMHGDVLF-UHFFFAOYSA-N 202.253 2.907 30 20 BFED C=C(C)C(C)(C)C(=O)OCc1cc(C2CC2)n[nH]1 848009924 MOXYTVDZFNWQNW-UHFFFAOYSA-N 248.326 2.933 30 20 BFED c1cn2c(n1)C(=NOC1CCCCC1)CCC2 848409359 UPUKVOBQUKGHOS-UHFFFAOYSA-N 233.315 2.730 30 20 BFED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1cnn(C)c1 851142097 NXVLAUZAYYZBSM-AAEUAGOBSA-N 248.326 2.712 30 20 BFED C=CCCOCC(=O)OCCC(C)(C)C=C 851299630 SNYDAJOZEMYVKQ-UHFFFAOYSA-N 226.316 2.725 30 20 BFED C=CC(C)(C)CCOC(=O)CCc1cnccn1 851299847 BBAFAKXXHCEWMV-UHFFFAOYSA-N 248.326 2.555 30 20 BFED CCN(C(=O)O[C@@H](C)CC(C)C)[C@@H](C)C#N 851823122 DJBKFBPAOZJCCP-QWRGUYRKSA-N 226.320 2.792 30 20 BFED CC(=NN1CCCC[C@@H]1C)c1ccnc(F)c1 853381407 CAEHSDMVNNUXAX-JTQLQIEISA-N 235.306 2.819 30 20 BFED CCC(C)=NNc1ccc([N+](=O)[O-])cc1F 853397022 SYANIAXIPTXTAI-UHFFFAOYSA-N 225.223 2.932 30 20 BFED C#CCCCCNc1nccnc1OC1CCC1 853443382 ASZQJXPVUKULCA-UHFFFAOYSA-N 245.326 2.623 30 20 BFED CC#CC(=O)N1c2ccccc2C(C)(C)[C@H]1C 855906173 LPYIVNKJGMZUMZ-LLVKDONJSA-N 227.307 2.723 30 20 BFED C=CCCONC(=O)c1ccc(C)cc1C 856028564 WUKKDNVBAWSXAD-UHFFFAOYSA-N 219.284 2.541 30 20 BFED C=CCCC(C)(C)NC(=O)C1=COCCC1 856373912 DZUSNSSJOBXDPT-UHFFFAOYSA-N 223.316 2.542 30 20 BFED C#CCCOC(=O)Oc1c(C=O)cccc1CC 859211011 UUTCDZFQQWEFLS-UHFFFAOYSA-N 246.262 2.600 30 20 BFED C=C(C)[C@@H](C)OC(=O)c1conc1C(C)C 860652868 DPWISPMIOUKPBC-SECBINFHSA-N 223.272 2.919 30 20 BFED Cc1ccc([C@@H](C)C=NNCC(F)F)cc1 863095210 BEMJDIMAGCMWJP-JTQLQIEISA-N 226.270 2.939 30 20 BFED CC(=NNC[C@@H](C)O)c1cccc(C(C)C)c1 863117464 UMVFPUFHMPAERQ-LLVKDONJSA-N 234.343 2.504 30 20 BFED CN(C)c1ccc(F)cc1C=NOCC(F)F 872366381 DFICQFAUCRYTNV-UHFFFAOYSA-N 246.232 2.507 30 20 BFED C=CCCCCNC(=O)Nc1cncc(OC)c1 880552109 QABMDLGZDUATCY-UHFFFAOYSA-N 249.314 2.568 30 20 BFED C#C[C@@H](NC(=O)C1CCC(=C)CC1)C(C)C 890404480 YYNCABGCWJOBBG-CYBMUJFWSA-N 219.328 2.507 30 20 BFED CSc1ccc(CN2CCC[C@H](C#N)C2)o1 896502424 FFYDSSWAPDEKPA-SNVBAGLBSA-N 236.340 2.737 30 20 BFED CCOc1ccc(/C=N/C/C=C\Cl)c(O)c1 899234184 UXLRXLNVJJPRBT-KZCWPEJGSA-N 239.702 2.962 30 20 BFED C=CCC[C@H](N[C@H]1CC[C@@H]1C1CCC1)C(=O)O 901689306 CKVULRISSNPYJX-AGIUHOORSA-N 237.343 2.574 30 20 BFED C=CCC[C@H](NC1CCC2(CC1)CC2)C(=O)O 901689743 FPCFTLYMQYRIBL-LBPRGKRZSA-N 237.343 2.718 30 20 BFED CCc1ccc(C=NOCc2cnns2)cc1 902149057 HSHPNCGIOWHQAH-UHFFFAOYSA-N 247.323 2.651 30 20 BFED CC(=O)C(C)=NOCc1ccc(Cl)cc1 902758306 KNXGYIGPWYKCLF-UHFFFAOYSA-N 225.675 2.822 30 20 BFED CCCCN(O)C(=O)CCc1cccs1 904207996 LBXZTSLTPANXTG-UHFFFAOYSA-N 227.329 2.699 30 20 BFED Cc1cc(C)c(C=NNc2cnccn2)cc1C 912961686 LDJMLSLMXOGIKQ-UHFFFAOYSA-N 240.310 2.848 30 20 BFED C=CCN(C(=O)[C@@H]1CC=CCC1)C(C)C 914682784 HOANDIKQVPDLQE-GFCCVEGCSA-N 207.317 2.766 30 20 BFED C[C@H]1CCCCC1=NNCCN1CCCCC1 915975034 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CC(C)C1(NC(=O)c2csc(C#N)c2)CC1 1328468639 NLDDAXWVDIIDNK-UHFFFAOYSA-N 234.324 2.538 30 20 BFED Cc1c(C#N)cccc1C(=O)NCC1=CCCC1 1331449343 NBMIISBTTRTLAN-UHFFFAOYSA-N 240.306 2.707 30 20 BFED C=CCN(C)c1nnc(C2CC=CC2)n1CC=C 1340342592 QBXXTDUYYTUDBL-UHFFFAOYSA-N 244.342 2.520 30 20 BFED C#CC[C@H](C)OC(=O)C[C@]1(C)CC1(Cl)Cl 1342700936 VGNVMQFERYENFC-WCBMZHEXSA-N 249.137 2.915 30 20 BFED C=C(CC(C)C)C(=O)NC[C@@]1(C)CCCS1 1348102145 OVJQUFTYQZYUGS-CYBMUJFWSA-N 241.400 2.991 30 20 BFED C=CC[C@@H](C)NCc1ccc(C(=O)O)c(C)c1 1602837277 KBZOCXDILZJDLU-LLVKDONJSA-N 233.311 2.747 30 20 BFED N#Cc1cnc(Sc2ccncc2)c(F)c1 1612171323 ODUSQTGYSFNEIU-UHFFFAOYSA-N 231.255 2.639 30 20 BFED Cc1cc(Nc2ccc3nccn3c2)ncc1C#N 1640189371 AJTONBZTTNUOET-UHFFFAOYSA-N 249.277 2.653 30 20 BFED C=C(C)CCCN1CCC[C@@H](CCC(=O)O)C1 1776139209 NSKPDSVSBBJWSB-ZDUSSCGKSA-N 239.359 2.920 30 20 BFED C=CCCC1(C(=O)O)CCN(C(C)C)CC1 1776167938 GVSSVYNHJSXMHD-UHFFFAOYSA-N 225.332 2.528 30 20 BFED C/N=C(\S)N1CC=C(C(C)(C)C)CC1 26498805 BPVGLXKKYZJVTM-UHFFFAOYSA-N 212.362 2.580 30 20 BFED C[C@H](Cc1ccco1)Nc1ncccc1C#N 37986083 IIZJHCWPCWNKRT-SNVBAGLBSA-N 227.267 2.589 30 20 BFED N#Cc1ccc(NCc2cscn2)cc1 40431087 DDSBPBDIWNRCTD-UHFFFAOYSA-N 215.281 2.627 30 20 BFED CCOc1ccccc1NC(=O)C(C)(C)C#N 44318083 GJYLCFWJMXSCQP-UHFFFAOYSA-N 232.283 2.574 30 20 BFED CCOC[C@H](C)N[C@H](C)c1ccc(C#N)cc1 44688661 TXNQRCOBLYHJJP-NWDGAFQWSA-N 232.327 2.634 30 20 BFED CC[C@H](C)C(=O)N(C)Cc1ccc(C#N)cc1 45250476 IAPXHGGSBKEMTB-NSHDSACASA-N 230.311 2.563 30 20 BFED Cc1occc1C(=O)N(CCC#N)CC(C)C 49632971 LCNZNLGMMZHEJK-UHFFFAOYSA-N 234.299 2.600 30 20 BFED C=CCN(CC=C)C(=O)c1ccc(CC#N)cc1 58242350 VTAWZNOGBYPKFP-UHFFFAOYSA-N 240.306 2.567 30 20 BFED CCCCCCCN1CCC[C@H](CN)C1 59089456 NKBPZJLGBJQRQB-CYBMUJFWSA-N 212.381 2.628 30 20 BFED C#CCCN[C@@H](c1cccs1)C1CC1 69767797 YBGJMZDSKCZDDH-GFCCVEGCSA-N 205.326 2.812 30 20 BFED Cc1cc(NC(=O)c2cccc(C#N)c2)ccn1 72709920 NCLLWEVTFHEIRH-UHFFFAOYSA-N 237.262 2.514 30 20 BFED CC(C)(C)c1ccccc1NC(=O)CC#N 83348666 MKLDXLYKOPANAV-UHFFFAOYSA-N 216.284 2.836 30 20 BFED Cc1cccc(C[S@@](=O)CCCCC#N)c1 84256551 PTFLRYIKUSFUMY-MRXNPFEDSA-N 235.352 2.938 30 20 BFED C=C(CC)COc1ccc(C(=O)OC)cc1 85056561 WLTUAHJLEUEAOW-UHFFFAOYSA-N 220.268 2.818 30 20 BFED CC[C@@H](C#N)NC(=O)C[C@H]1CCC[C@H](C)C1 102352676 FQPJUBQSSBMCDM-SRVKXCTJSA-N 222.332 2.621 30 20 BFED C=CCCC(=O)N[C@@H](C)CCCN(CC)CC 102468731 BCBMCKPPHAQKHK-ZDUSSCGKSA-N 240.391 2.579 30 20 BFED C=CCN(CC=C)C(=O)N[C@@H]1CCC[C@@H]1C 105310792 BVDRQUINIPDRCI-NWDGAFQWSA-N 222.332 2.559 30 20 BFED Cc1ccc(CN(C)C[C@H](C#N)CCC#N)s1 112560356 SQCNDLLQYHKNNJ-LBPRGKRZSA-N 247.367 2.932 30 20 BFED CCCCCOCC(=O)Oc1ccc(C#N)cc1 120538186 TUJWNWXXVXTLMK-UHFFFAOYSA-N 247.294 2.670 30 20 BFED Cc1cccc([C@H](C)OC(=O)CSCC#N)c1 121834868 LRTYZWKQWTZSFZ-NSHDSACASA-N 249.335 2.856 30 20 BFED C[C@H](c1ccccc1F)[S@](=O)CCCC#N 123462713 PASZMPWHSCMZSX-HWPZZCPQSA-N 239.315 2.939 30 20 BFED CCCCCCCOC(=O)c1cnn(C)c1C 126044270 YYNAPESVAYULAM-UHFFFAOYSA-N 238.331 2.856 30 20 BFED C=C[C@@H](C)NC(=O)N[C@@H]1CCc2ccccc21 128201598 KZWILLQSKXZWAQ-ZWNOBZJWSA-N 230.311 2.548 30 20 BFED CC(C)(C#N)C(=O)Oc1ccc(Cl)c(F)c1 133770090 NDNMHBJALYMQCZ-UHFFFAOYSA-N 241.649 2.934 30 20 BFED C=CCC[C@@H](C)N[C@H](COC)c1ccco1 134897539 IXRXKYOEWVYSLU-VXGBXAGGSA-N 223.316 2.911 30 20 BFED CC[C@H](C)C[C@H](C)NC(=O)[C@](C)(C#N)CC 136266122 DQHCFMVKNLZEJH-GVXVVHGQSA-N 224.348 2.867 30 20 BFED CC#CCOC(=O)C1(CCOCC)CCCC1 150928239 JNGABOLUGIUFHT-UHFFFAOYSA-N 238.327 2.540 30 20 BFED C=CCN(C)C(=O)N[C@H]1CCC[C@@H](CC)C1 155071774 LIRGOTDBLSIALD-NEPJUHHUSA-N 224.348 2.783 30 20 BFED C=C(C)COCCN[C@H]1CCCc2occc21 163571206 HSEOHJQPBSIGNV-ZDUSSCGKSA-N 235.327 2.839 30 20 BFED CC#CCCN[C@H](C)CCc1ccco1 165114694 GLWHTYLMLRSADS-GFCCVEGCSA-N 205.301 2.604 30 20 BFED C=C(C)CCOc1ccc(CC(=O)O)cc1 168923199 HXQIBZVOIVEDBS-UHFFFAOYSA-N 220.268 2.659 30 20 BFED COc1cccc(/C=N/CCC2CC2)c1O 173988723 ZQKPFXOPBAJGRT-NTEUORMPSA-N 219.284 2.620 30 20 BFED N#Cc1c[nH]c(C(=O)NCCCC2CCCC2)c1 175225107 LPSLLGWEZHLJJK-UHFFFAOYSA-N 245.326 2.587 30 20 BFED C[C@H]1CCN(C(=O)C2(C#N)CCCCC2)[C@H]1C 177034151 IPIMGUCUPDWSPA-RYUDHWBXSA-N 234.343 2.717 30 20 BFED Cc1c(C#N)cccc1NC(=O)N[C@@H](C)C1CC1 178563282 VFURIYQBMLCLBI-JTQLQIEISA-N 243.310 2.787 30 20 BFED C=C(C)CN(C)C(=O)c1cccc(OC(C)C)n1 180438150 AOSLFOPMYJXFKJ-UHFFFAOYSA-N 248.326 2.517 30 20 BFED C#CCN[C@H](C)c1c(F)cccc1Cl 181756337 VFHYIFGOWHGOFL-MRVPVSSYSA-N 211.667 2.763 30 20 BFED C[C@H](NC[C@H](C)C[C@@H](C)O)c1ccc(C#N)cc1 181791228 NBKHJGPCAONQJG-UPJWGTAASA-N 246.354 2.616 30 20 BFED C=CCCC[C@@H](C)NC(=O)COCCCC 182592260 YVGBQJJQTVHWBG-GFCCVEGCSA-N 227.348 2.664 30 20 BFED C=CCCN(CC#N)OCc1ccccc1 187386452 ONCKIZLVTWBIBZ-UHFFFAOYSA-N 216.284 2.520 30 20 BFED C=C[C@H](C)OC(=O)Cc1c[nH]c2ccc(F)cc12 187569679 KTNYOLZRNORPPP-VIFPVBQESA-N 247.269 2.967 30 20 BFED Cc1cc(-n2cccn2)ccc1N[C@H](C)C#N 189825631 HSHWDAQIBPSOHA-LLVKDONJSA-N 226.283 2.505 30 20 BFED C[C@H]1CCC[C@H](CNCc2cc(C#N)n(C)c2)C1 190860652 QBZQSVROXXEOLC-STQMWFEESA-N 245.370 2.813 30 20 BFED C=CCN(CCOC)C(=O)C1=CCCCCC1 191963395 LOVZYQSXNSHFCZ-UHFFFAOYSA-N 237.343 2.538 30 20 BFED CC[C@@H](C)N(C)CCNc1ccc(C#N)cc1F 218084658 QAMXCVFYUQQRAR-LLVKDONJSA-N 249.333 2.840 30 20 BFED Cn1cncc1CNc1ccc(C#N)cc1Cl 225232898 YARWYCBLHNXINA-UHFFFAOYSA-N 246.701 2.557 30 20 BFED N#Cc1cc2c(nc1NC1CC=CC1)CCC2 228334484 LESDZNGODGZNSR-UHFFFAOYSA-N 225.295 2.572 30 20 BFED C#C[C@@H](C)NCc1cccc(Cl)c1F 229239422 WJLDFKIYDOSEJH-MRVPVSSYSA-N 211.667 2.590 30 20 BFED CSC1(CNc2cccc(C#N)c2)CC1 235183327 AWDQWFOHXIAFJP-UHFFFAOYSA-N 218.325 2.866 30 20 BFED CCc1ccc(C(=O)/C=C\c2ccnn2CC)o1 255540528 BPKYRFLVCJXOAG-ALCCZGGFSA-N 244.294 2.955 30 20 BFED CCCON=Cc1ccc(OCC)c(OC)c1 255583996 WFNLNSHYMPULEL-UHFFFAOYSA-N 237.299 2.854 30 20 BFED CCC[C@@H]1CCCC[C@H]1C/N=C1/NC[C@@H](C)N1 263066758 GGLTZMUUKWXKPF-UPJWGTAASA-N 237.391 2.530 30 20 BFED C=CC[C@H](CC)NCc1cccc(C(=O)O)c1 263325688 KIAKEJHGUVSGRV-ZDUSSCGKSA-N 233.311 2.829 30 20 BFED Cc1noc(C(C)C)c1C(=O)NCCCCC#N 264019767 GQQRCNLJWGSBSW-UHFFFAOYSA-N 249.314 2.530 30 20 BFED C=CC[C@H](C)NC(=O)CCNc1ccccc1C 265226960 AQCHWHSNWZVECE-ZDUSSCGKSA-N 246.354 2.878 30 20 BFED C=C(Cl)CNC(=O)N1CCC[C@H](C)[C@@H]1C 266548380 RRFVYDYVDIJSIZ-WPRPVWTQSA-N 230.739 2.569 30 20 BFED C=CCCCC(=O)Nc1ccc(C)c(O)c1 269583377 AGYLDHHQNYCYCN-UHFFFAOYSA-N 219.284 2.995 30 20 BFED COc1cccc2c1CC[C@H]2NCCCC#N 273313888 XNXROEVQLDPFEJ-CYBMUJFWSA-N 230.311 2.576 30 20 BFED C=CCN(C)C(=O)C(C)(C)c1ccccc1OC 274998894 GFTXLJGZRFJXEJ-UHFFFAOYSA-N 247.338 2.617 30 20 BFED CC/C=C(\C)C(=O)N1CCCC(C)(C)[C@H]1C#N 278078642 XQHQJSLCPRMINZ-YTRUQHMWSA-N 234.343 2.883 30 20 BFED Cc1ccc([C@@H]2C[C@@H](C)N(CC#N)C2)cc1 278410879 HMTRLYOJJJDNJS-TZMCWYRMSA-N 214.312 2.696 30 20 BFED N#C[C@@H]1CC[C@H](N2CCc3cccc(F)c3C2)C1 293932990 YZKKGYLHOXDFSL-YPMHNXCESA-N 244.313 2.876 30 20 BFED C#C[C@H](NC(=O)Nc1ccsc1)C(C)C 294200066 LHVXPONRIJOYIQ-JTQLQIEISA-N 222.313 2.527 30 20 BFED C=C(C)CN(CC)C(=O)[C@]1(C#N)CC12CCCC2 294262100 GPLDUVDTPDQQRH-OAHLLOKOSA-N 246.354 2.885 30 20 BFED C=CCC[C@H](CC)NCCc1nccnc1C 295091761 UXOHNBTUUMWAQB-ZDUSSCGKSA-N 233.359 2.662 30 20 BFED C=CCCCCCCNC(=O)NOC(C)C 296553191 HDJRRFKFAJPYFB-UHFFFAOYSA-N 228.336 2.762 30 20 BFED C=C[C@@H](Sc1ccc(F)c(F)c1)C(=O)O 301013937 MIXAAMWULPQONG-SECBINFHSA-N 230.235 2.696 30 20 BFED N#Cc1ccc(N[C@@H]2C[C@H]3OCCC[C@H]23)cc1 302563551 NTCNCRMSAXCWBH-MGPQQGTHSA-N 228.295 2.538 30 20 BFED CC(C)CN(CCC#N)CCCCF 308559096 WDJGJKBCEXZCIL-UHFFFAOYSA-N 200.301 2.608 30 20 BFED N#CCC1(CNc2ncccc2Cl)CC1 308854099 JUQZIUGAUUBOQH-UHFFFAOYSA-N 221.691 2.841 30 20 BFED C=C[C@H](CO)N[C@H](C)CCCCCCC 309216812 UNAGXDKMKXMPDX-CHWSQXEVSA-N 213.365 2.872 30 20 BFED Cc1ccc(SCCCC(=O)O)c(C#N)c1 309455031 PLASMRJSLGNSBX-UHFFFAOYSA-N 235.308 2.824 30 20 BFED C=C[C@H](C)N[C@@H]1CCc2ccccc2OC1 309605221 YMNSJTDRNDRCDG-WCQYABFASA-N 217.312 2.544 30 20 BFED C=CCNc1ccc(Cl)c(C(=O)N(C)C)c1 309988662 ZMOQSYVBDKZAJM-UHFFFAOYSA-N 238.718 2.640 30 20 BFED N#CC1(C(=O)NC(C2CCC2)C2CCC2)CCC1 325467497 URCSRQCVOYXKCT-UHFFFAOYSA-N 246.354 2.765 30 20 BFED O/C(=N/Cc1noc(C2CC2)n1)[C@H]1CC=CCC1 328999778 VLQFMNNBORTFQB-VIFPVBQESA-N 247.298 2.760 30 20 BFED CC1=C(/C(O)=N/[C@H](C)c2ncon2)CCC1 329229562 CTBXUXYEYIKBOY-MRVPVSSYSA-N 221.260 2.588 30 20 BFED C=C(C)CN(C)C(=O)NC1CCCCCC1 334217836 DHEIFMPETCGHOY-UHFFFAOYSA-N 224.348 2.927 30 20 BFED CCCC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 334871577 VZNJVYJQQNFMQQ-CQSZACIVSA-N 242.322 2.852 30 20 BFED N#CC1(CCn2cccn2)CCCCC1 334951823 RWZQXFVJOQLPRX-UHFFFAOYSA-N 203.289 2.747 30 20 BFED N#Cc1cc(F)ccc1NCC1(C#N)CCC1 335624772 SOAJCVXGQNIUKK-UHFFFAOYSA-N 229.258 2.803 30 20 BFED N#Cc1ccc(N[C@H]2CC23CCOCC3)cc1 335651133 ZNXOHQQFKANSAL-ZDUSSCGKSA-N 228.295 2.539 30 20 BFED C=CCC(C)(C)CN[C@@H]1C[C@@H](C)N(C)C[C@H]1C 336664133 XGKZFFJQRHOIOJ-MGPQQGTHSA-N 238.419 2.907 30 20 BFED C=C(C)[C@@H]1OCC[C@H]1CNC1CC(C)(C)C1 336672136 NZTRJOKEPFMOSJ-AAEUAGOBSA-N 223.360 2.746 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@H]1CCCN(C)[C@@H]1C 336731328 FFBBICWODMOACL-FQUUOJAGSA-N 224.392 2.659 30 20 BFED CN(CCC1CC1)c1ccc(C#N)c([N+](=O)[O-])c1 336795302 JLMUXYNXCLPHSS-UHFFFAOYSA-N 245.282 2.703 30 20 BFED C=CC[C@H](CC)NC(=O)[C@@H]1Cc2ccccc21 337090319 JPSAEKYIRVSKAB-GXTWGEPZSA-N 229.323 2.797 30 20 BFED C=C(C)[C@H](CC(=O)N(C(C)C)C1CC1)OCC 339308993 XHPQWAXYEYWFGA-ZDUSSCGKSA-N 239.359 2.757 30 20 BFED C=CC[C@@H](CO)CN[C@@H](C)CCc1ccccc1 341878304 MZEOOTJCSHIDPL-GOEBONIOSA-N 247.382 2.782 30 20 BFED CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C#N)C(C)C 343628416 MWRKSOKIHPWFFX-UPJWGTAASA-N 236.359 2.867 30 20 BFED CC(C)COc1ccccc1NC(=O)[C@H](C)C#N 344059748 GOQDDUBAKSKVGP-LLVKDONJSA-N 246.310 2.820 30 20 BFED COc1cc(C(C)=O)ccc1OCC1(C#N)CC1 347017418 CYDMGLLLIMAFBW-UHFFFAOYSA-N 245.278 2.580 30 20 BFED C=CCOCCCN1CC[C@](C)(CC)C1 348049848 JUTLQDUQZJKHST-ZDUSSCGKSA-N 211.349 2.701 30 20 BFED C=C(C)CCN1CCCC[C@@H](COC)C1 351986829 MZRFXANTUVDFQL-CYBMUJFWSA-N 211.349 2.701 30 20 BFED C=CCN1CCN(Cc2ccccc2)[C@H](CC)C1 353567050 FTEJVYRLXGLRJX-MRXNPFEDSA-N 244.382 2.769 30 20 BFED CC#CCNC(=O)c1coc2ccc(CC)cc12 354381981 JBRUSFCUEUKIFR-UHFFFAOYSA-N 241.290 2.748 30 20 BFED C=C(CC)COc1cccc2c1OCCO2 354536344 ASWCMJMYCHVVEM-UHFFFAOYSA-N 220.268 2.803 30 20 BFED C=CCCC[C@H](C)NC(=O)[C@H]1CCCSC1 355653896 ABCAKVORDBMNSA-RYUDHWBXSA-N 241.400 2.991 30 20 BFED C=CCOCC(=O)NCC1(CC)CCCCC1 357747629 MPYHQJOHZOHTIF-UHFFFAOYSA-N 239.359 2.666 30 20 BFED C=CCOCC(=O)NCC[C@H]1CCCC[C@@H]1C 357854131 BXMHEDBNFBLIET-QWHCGFSZSA-N 239.359 2.522 30 20 BFED CC(C)(C#N)CNc1ccc(F)cc1[N+](=O)[O-] 359099982 WAKKRXVXZMGSGY-UHFFFAOYSA-N 237.234 2.696 30 20 BFED C=CCC1(C(=O)N2CCC[C@@H]2CF)CCC1 359581199 GXOLSHQSPHTFIP-LLVKDONJSA-N 225.307 2.693 30 20 BFED CC1=C[C@H](C)CN(c2c(C#N)cccc2C#N)C1 362375662 LAKXVYCBWWANQT-NSHDSACASA-N 237.306 2.832 30 20 BFED C=CCCCN1C[C@H](CO)Cc2ccccc21 366382258 WZHKZWCYLZWHHO-CYBMUJFWSA-N 231.339 2.624 30 20 BFED CC[C@H](C)C(C)=NNc1nncc(N)c1Cl 381505696 DYGMLFFJKODRJS-LURJTMIESA-N 241.726 2.546 30 20 BFED CC[C@H](C)CON=C1CCS[C@@H]1C 382154272 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2.653 30 20 BFED CC[C@H](C)C=NNC(=S)NCc1ccccc1 755504431 DOTMVLBIZAGJEB-NSHDSACASA-N 249.383 2.683 30 20 BFED C(=NNc1cccnn1)[C@H]1CCc2ccccc21 755733105 NBVXXDYBDBCUJR-GFCCVEGCSA-N 238.294 2.604 30 20 BFED CC(=NO[C@@H]1CCCCO1)c1scnc1C 755818368 QUMUWUXZHBPOSV-SNVBAGLBSA-N 240.328 2.719 30 20 BFED C=C[C@H](C)NC(=O)/C=C/c1cccc(F)c1 757003292 AUBMTYMDZHNGLX-JARNTUPDSA-N 219.259 2.530 30 20 BFED CC(=NNC1CC1)c1coc2ccccc12 758129371 MCIMLKFDZYUMOE-UHFFFAOYSA-N 214.268 2.909 30 20 BFED Fc1cccc(Cl)c1C=NNC1CC1 758133319 MDEOWEOTKRDRIU-UHFFFAOYSA-N 212.655 2.565 30 20 BFED CC(=NOCC(F)F)c1cccc(F)c1 758904846 ZLFOIUFMGOZJCT-UHFFFAOYSA-N 217.190 2.831 30 20 BFED CC#CCCOC(=O)CO[C@H]1CCC[C@H](C)C1 760283213 IXKWENXQXLVKIF-STQMWFEESA-N 238.327 2.538 30 20 BFED Cc1cc(F)ccc1NN=C1CCN2CCC[C@H]12 765584981 VGUUFQZQUPWNDS-CQSZACIVSA-N 247.317 2.770 30 20 BFED C[C@H]1CC(C)(C)CC1=NOC[C@@H]1CCOC1 766028676 FPSTWELVAMXLEU-WDEREUQCSA-N 225.332 2.852 30 20 BFED Cc1cc(C=NNc2ccccn2)ccc1C#N 766434284 WQGIJMWFOCFVFJ-UHFFFAOYSA-N 236.278 2.708 30 20 BFED C#CCCCN(C)[C@H]1C[C@@H](OC)C1(CC)CC 766919883 CWCBEFNNMAMWMP-UONOGXRCSA-N 237.387 2.925 30 20 BFED C#CCC(C)(C)C(=O)N[C@@H](C)c1cnccc1C 767101985 GQPJDOXFRFRUEE-LBPRGKRZSA-N 244.338 2.617 30 20 BFED NC(=NOCC1CCCC1)c1ccc(F)cc1 771861694 CLKATUBNBHOHTJ-UHFFFAOYSA-N 236.290 2.653 30 20 BFED C[C@@H](NC(=O)CC#N)c1csc2ccccc12 772870985 ZDHSUGULXWWDJR-SECBINFHSA-N 244.319 2.992 30 20 BFED C[C@H](CC#N)NC(=O)/C(F)=C/C1CCCCC1 773952010 HKMOMAAAMLSUOF-WJEYQPDNSA-N 238.306 2.838 30 20 BFED N#Cc1ccc(C(=O)NOC2CCCCC2)cc1 777960327 CQHVTYFWOLXGOR-UHFFFAOYSA-N 244.294 2.552 30 20 BFED CC(C)Cc1ccc(CCCC(=O)NO)cc1 782171729 MPTZYJSKDYDGPC-UHFFFAOYSA-N 235.327 2.713 30 20 BFED Cc1cc(CONC(=N)CC2CC2)ccc1C#N 783024908 PYVMEGQIUQIYKZ-UHFFFAOYSA-N 243.310 2.665 30 20 BFED C=CCCN(C)CCCOc1ccc(C#N)cc1 786435921 IUDNDKZSAKTVKH-UHFFFAOYSA-N 244.338 2.835 30 20 BFED C#CCOc1ccc(CN(C)CCC=C)cc1 786578621 KTCJOQDZVQZGSM-UHFFFAOYSA-N 229.323 2.707 30 20 BFED C#CCC1(C(=O)NOCC(C)C)CCCCC1 788233685 AFDIMLWKNRTCQQ-UHFFFAOYSA-N 237.343 2.664 30 20 BFED CC(C)CNN=C1CCC[C@H]1CCF 794922277 PPXNDOVFGYHSSH-JTQLQIEISA-N 200.301 2.748 30 20 BFED COc1cccc(C=NNc2ncccc2F)c1 794991243 XIMUPQIHQBVHDE-UHFFFAOYSA-N 245.257 2.675 30 20 BFED CC[C@H](C#N)OC(=O)c1nc(C(C)C)oc1C 797114099 OEEYTXIFUWHQLZ-SECBINFHSA-N 236.271 2.565 30 20 BFED CC[C@@H]1CC[C@H](C)CC1=NN[C@H](C)COC 797403688 VLCAGCUQVRHPQG-QJPTWQEYSA-N 226.364 2.813 30 20 BFED Cc1ccc2c(c1)C(=O)/C(=C/c1cn(C)cn1)C2 800793814 QKEKDXSCEVEOSW-KPKJPENVSA-N 238.290 2.551 30 20 BFED C=CCCOC(=O)c1cc[nH]c1C(C)C 803777598 HTJIAAAIEQRYQB-UHFFFAOYSA-N 207.273 2.871 30 20 BFED Cc1cc(CNc2cc(C#N)ccn2)c(C)o1 804458487 LKBRMTUWLWWUBW-UHFFFAOYSA-N 227.267 2.775 30 20 BFED N#CCCCCCC(=O)OCC1(CC#N)CC1 805887908 AUDGJUNCPGPVLO-UHFFFAOYSA-N 234.299 2.698 30 20 BFED C=CCCCCOC(=O)[C@@H](OC)C(C)C 811011934 RHGXKYODCDDOCM-NSHDSACASA-N 214.305 2.557 30 20 BFED COC1CCC(=NOC/C=C/Cl)CC1 811669717 SQEFJRSMLQDZQL-CSHLRNTCSA-N 217.696 2.701 30 20 BFED Fc1ccccc1NN=Cc1cccnc1 812459220 SYALYYGLHDWLHB-UHFFFAOYSA-N 215.231 2.667 30 20 BFED CCOc1cc(C=NOCCC2CC2)ccc1O 814244752 BQFBYUMMOJZHIV-UHFFFAOYSA-N 249.310 2.942 30 20 BFED Cn1c(C=NOCCC2CC2)nc2ccccc21 814245999 QYRBSZYTQIEQBE-UHFFFAOYSA-N 243.310 2.724 30 20 BFED CC1(C)OCCC1=NN[C@H]1CCCC1(C)C 814917235 IQHBPAIAICRTPI-JTQLQIEISA-N 224.348 2.710 30 20 BFED CCc1cnc(C=NOC/C=C/Cl)s1 814934010 HXWUQMMPJRDHKU-KJNQHJQGSA-N 230.720 2.809 30 20 BFED CC[C@H](C)CON=Cc1cccc(C(=O)O)c1 814939657 YDATUXXEIFBCQU-JTQLQIEISA-N 235.283 2.781 30 20 BFED c1cc2c(o1)CCCC2=NOCC1CC1 814941000 LAQCJKSHHFENOP-UHFFFAOYSA-N 205.257 2.747 30 20 BFED Cc1c(F)cccc1C(=O)OCC1(CC#N)CC1 817721179 XQILFFQIBAURRU-UHFFFAOYSA-N 247.269 2.985 30 20 BFED C[C@@H]1CCCC[C@@H]1C(=O)O[C@H](C#N)C1CC1 820167471 PDCAVYVWUGWEIP-ADEWGFFLSA-N 221.300 2.658 30 20 BFED C=CCC1(NC(=O)c2coc(C=O)c2)CCCC1 825438040 SDEBUBPHNYMUCY-UHFFFAOYSA-N 247.294 2.711 30 20 BFED CC[C@@H]1CCCN1C(=O)C#Cc1cccs1 825664402 DXOVHEVGQYEHLW-LLVKDONJSA-N 233.336 2.501 30 20 BFED C[C@H]1CCC[C@@H]1CNC(=O)C#Cc1cccs1 831754519 SHMNOORVZUIJSB-NWDGAFQWSA-N 247.363 2.652 30 20 BFED Cc1ccoc1C(=O)/C=C\c1ccc(C(=O)O)o1 832984820 IGVSTQDTABAGLY-RQOWECAXSA-N 246.218 2.775 30 20 BFED C[C@H]1C[C@H](C(=O)OCCCC#N)CC[C@H]1C 835265334 PIYISLXAHXBLOU-GRYCIOLGSA-N 223.316 2.906 30 20 BFED C#C[C@H](CCC)NC(=O)N[C@@H](C1CCC1)C1CC1 836422188 FOTQIFXKWWHJDS-KGLIPLIRSA-N 248.370 2.666 30 20 BFED C=CCONC(=O)N[C@@H](C)[C@H](C)c1ccccc1 838705879 HDGHOQNLNWPOMD-RYUDHWBXSA-N 248.326 2.595 30 20 BFED C#CCC[C@H](C)OC(=O)[C@H](C)OCCCC 839034721 AUQLWNFTJYSMER-RYUDHWBXSA-N 226.316 2.537 30 20 BFED Cc1cnccc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839448358 HYQZMUMDHWYBRW-NWDGAFQWSA-N 244.294 2.629 30 20 BFED Cc1occc1C=NN[C@H](C)C(C)(C)C 841642553 VHLODWIVMHODNU-SNVBAGLBSA-N 208.305 2.946 30 20 BFED C[C@H]1CC(=NNCc2ccccc2Cl)CO1 842525157 MKRZQUOVBMMRBD-VIFPVBQESA-N 238.718 2.594 30 20 BFED C=C[C@@H](C)ONC(=O)NCC(C)(C)C1CCC1 845614803 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C#C[C@](C)(CC)NC(=O)C[C@@H]1CC[C@@H](C)C1 854699292 UKGWDMSTFSYBAF-YRGRVCCFSA-N 221.344 2.731 30 20 BFED CCCCCCCNC(=O)NCCCCC#N 858111408 FADSDUAPWALQBB-UHFFFAOYSA-N 239.363 2.950 30 20 BFED C[C@H](CC#N)N(C)C(=O)OCCc1ccccc1 858945078 YYWNYGCYRCTOCB-GFCCVEGCSA-N 246.310 2.600 30 20 BFED C#CCCOC(=O)N1C[C@@H](C)CCC[C@@H]1C 859016130 FJPVUDBFPMYVQB-RYUDHWBXSA-N 223.316 2.657 30 20 BFED C#CCCOC(=O)N(CC1CCC1)C(C)C 859135306 KJOOWZHVSUBBRY-UHFFFAOYSA-N 223.316 2.657 30 20 BFED CCCCCCCN(C)CC1(C)COC1 859566314 ZIGFYSDQMMGHFF-UHFFFAOYSA-N 213.365 2.925 30 20 BFED CCC(C#N)(CC)C(=O)OCC(C)(C)F 860688046 SBBMJPITJFUPSK-UHFFFAOYSA-N 215.268 2.608 30 20 BFED C#C[C@@](C)(CC)NC(=O)c1coc(SC)c1 868629589 KTDLXTTUVLOTOL-LBPRGKRZSA-N 237.324 2.533 30 20 BFED CC(C)c1nccnc1NN=Cc1cnsc1 872371863 PZKNHCAOHJBIOF-UHFFFAOYSA-N 247.327 2.503 30 20 BFED C=CC(C)(C)CC(=O)NC(C)(C)CCOC 879482270 QKABJLWUZISMEC-UHFFFAOYSA-N 227.348 2.520 30 20 BFED C=CC(C)(C)CC(=O)OCc1nc(C)c(C)o1 884650609 PSHWLWKIBXRVTG-UHFFFAOYSA-N 237.299 2.937 30 20 BFED C#CCSCC(=O)N(C)c1cc(C)cc(C)c1 888318702 YCAPMRUKISGENM-UHFFFAOYSA-N 247.363 2.633 30 20 BFED C=CCN(Cc1cnn(C)c1C1CC1)C(C)C 891675208 ORJQEDSSZRQTEU-UHFFFAOYSA-N 233.359 2.694 30 20 BFED CC[C@@H](CC#N)N[C@H](C)CC(C)(C)C#N 893606187 NZSKOKVQIVITMU-MNOVXSKESA-N 207.321 2.597 30 20 BFED CCC#CCOC(=O)c1noc2c1CCCCC2 893840634 FSGVRVWQVUQHIA-UHFFFAOYSA-N 247.294 2.514 30 20 BFED Cc1cc(C#N)ccc1N[C@@H]1CC[C@H](C#N)C1 894273430 QJMYOBKGELAGCS-QWHCGFSZSA-N 225.295 2.971 30 20 BFED C=C1CC(c2noc(-c3conc3CC)n2)C1 896875964 QZCWWYYMDFJVMT-UHFFFAOYSA-N 231.255 2.721 30 20 BFED C=C1CCC(C(=O)N2CC(CC)C2)CC1 897946137 LSFIJMBDXOZCQY-UHFFFAOYSA-N 207.317 2.601 30 20 BFED C(=NOC1CCCC1)c1cnn(CC2CCC2)c1 901210256 IIRAXWJRQSEVCF-UHFFFAOYSA-N 247.342 2.976 30 20 BFED Cc1ccc2c(c1)[C@H](NCC1(C#N)CC1)CC2 903102131 SPGWJFNKNZMTOE-CQSZACIVSA-N 226.323 2.876 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1nccc(C2CC2)n1 906069163 BGVXSBJGBZUCCG-JTQLQIEISA-N 245.326 2.895 30 20 BFED C=C(C)COC(=O)CCOc1cccc(C)c1 916586743 AJMFCBPOJIWTFR-UHFFFAOYSA-N 234.295 2.883 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1ccccc1 923174533 QNERADIWTMJRAB-KBPBESRZSA-N 246.306 2.711 30 20 BFED C=CCC(C)(C)c1noc([C@@H](C)N(C)C)n1 924080494 WSASNFRNFHPKSD-SECBINFHSA-N 223.320 2.546 30 20 BFED CC1(C)CC=C(C(=O)N2CCC[C@H](C#N)C2)CC1 928216878 KTRMSXQQVZPOPY-GFCCVEGCSA-N 246.354 2.885 30 20 BFED C[C@]12CN(CCCC#N)C[C@H]1[C@H]1CC[C@@H]2C1 933704885 CYJJULPJSQWXEP-RFQIPJPRSA-N 218.344 2.658 30 20 BFED C#Cc1ccc(NC(=O)NCC2=CCCC2)cc1 934923809 ZEUKVTDTYFZWQN-UHFFFAOYSA-N 240.306 2.900 30 20 BFED C=CCN(C(=O)C1=C(C)N(C(C)C)CC1)C1CC1 935223894 DMARMIZCBQWDGZ-UHFFFAOYSA-N 248.370 2.552 30 20 BFED C[Si](C)(C)C#CCCNC(=O)CC1CCC1 1119596053 SKZXILCRUBVXPI-UHFFFAOYSA-N 237.419 2.564 30 20 BFED C=C[C@@H](CC)OC(=O)[C@@H]1CCOC(C)(C)C1 1122783055 VHLVYTPUKOJAJS-MNOVXSKESA-N 226.316 2.699 30 20 BFED C=CCC(CC=C)C(=O)OCc1cncn1CC 1123474469 ZUHDLJBPDHSTRJ-UHFFFAOYSA-N 248.326 2.715 30 20 BFED C=C(CC(C)C)C(=O)Nc1cnccc1C 1123557626 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N#CCCN1CCC(COc2ccccc2)CC1 55081256 GVSSKACFTGVURH-UHFFFAOYSA-N 244.338 2.691 30 20 BFED C=C(C)CN(CC)C(=O)C1CCCCC1 57157822 UYOAESHHSPNGTA-UHFFFAOYSA-N 209.333 2.991 30 20 BFED Cc1ccccc1C1CCN(CC#N)CC1 57497163 UEGWYNDHILVHLK-UHFFFAOYSA-N 214.312 2.698 30 20 BFED Cc1occc1C(=O)Nc1sccc1C#N 60951114 IWYCUBVXUMZSCM-UHFFFAOYSA-N 232.264 2.774 30 20 BFED N#CCCCN1CCCc2ccccc2C1 62944634 ASDKCTLGUUDGOH-UHFFFAOYSA-N 214.312 2.739 30 20 BFED N#Cc1ccc(C[C@H](O)c2ccccc2)cc1 82291170 DWCFOSMLLJNOML-HNNXBMFYSA-N 223.275 2.834 30 20 BFED N#C[C@H](OC(=O)c1cccnc1)C1CCCCC1 84555045 ZMGFFMNAIALPHB-ZDUSSCGKSA-N 244.294 2.711 30 20 BFED CC[C@@H](C)CN(CC)C(=O)C1(C#N)CCC1 93695696 GDCCWYUQALJLPE-LLVKDONJSA-N 222.332 2.575 30 20 BFED C=CCCOC(=O)[C@@H](C)Oc1ccc(C)cc1 103649105 MMAARQWEZOXODN-GFCCVEGCSA-N 234.295 2.882 30 20 BFED CN(CC1CCOCC1)c1ccc(F)cc1C#N 111176674 ARCMACDVKBBUKY-UHFFFAOYSA-N 248.301 2.560 30 20 BFED CCn1c(C)nnc1SCCC(C)(C)C#N 124017914 LWRKQVLAQFRQDY-UHFFFAOYSA-N 238.360 2.638 30 20 BFED 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240.306 2.825 30 20 BFED N#Cc1cccc(SCC(=O)c2ccc[nH]2)c1 158785698 UBINRYKCCAUBFY-UHFFFAOYSA-N 242.303 2.861 30 20 BFED CCCCN(CC)Cc1ccc(C#N)o1 158974497 CLMIFBQSPPSMMG-UHFFFAOYSA-N 206.289 2.773 30 20 BFED CCC[C@@H](C(=O)N(C)C1(C#N)CCC1)C(C)C 161510674 QKAGTFPPLRFMKT-GFCCVEGCSA-N 236.359 2.963 30 20 BFED CC[C@@H](C)CC(=O)N(C)c1ccc(C#N)cc1 167406551 SKHYVUGLZYLUHG-LLVKDONJSA-N 230.311 2.957 30 20 BFED C=C(C)CNC(=O)c1cc(Cl)nc(Cl)c1 167532316 URGSHDRKCVWPJL-UHFFFAOYSA-N 245.109 2.694 30 20 BFED C=CCN(CCCCCO)Cc1cccs1 171142870 GUFXOMYJQDNYEV-UHFFFAOYSA-N 239.384 2.899 30 20 BFED C=CCC(CC=C)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C 177177375 PFXPVNXFXRHUCC-BETUJISGSA-N 233.355 2.869 30 20 BFED CCCCCCCNC(C)(C)CC(=O)OC 178325393 USISSIKAQVREPN-UHFFFAOYSA-N 229.364 2.888 30 20 BFED C=CCCCC(=O)N(Cc1ccccc1)OC 180811606 GSJHIAWZTDKSOF-UHFFFAOYSA-N 233.311 2.933 30 20 BFED C=C(C)CN(C)Cc1cccc(C)c1O 181044697 KVTNDUXJLHFFFK-UHFFFAOYSA-N 205.301 2.709 30 20 BFED C=CCCC[C@@H](C)NC(=O)CO[C@@H](C)CC 182608222 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2.586 30 20 BFED C=CCCCN1CCCC[C@H]1[C@@H](O)CC 304220910 ITMDWRRZQLSXFX-STQMWFEESA-N 211.349 2.578 30 20 BFED CC[C@](C)(OC)C(=O)Nc1cc(C)cc(C#N)c1 308200073 PENKQSCLKUAYAT-AWEZNQCLSA-N 246.310 2.620 30 20 BFED Cc1cc(C#N)cc(NC(=O)C2CCCC2)c1 308218816 NLGNAZJUXUXALI-UHFFFAOYSA-N 228.295 2.995 30 20 BFED C=C(C)CCOC(=O)CSC(C)C 308287894 ZYQYQJQLBVEECO-UHFFFAOYSA-N 202.319 2.637 30 20 BFED C#CCCCCN[C@H]1CCC[C@H]1CCOC 309403773 ALWYQZZUKPPQAX-KBPBESRZSA-N 223.360 2.585 30 20 BFED C#Cc1ccc(CN[C@H]2CC[C@H](C)C2)cc1 309830529 YKNOBRPKHQUAHA-WFASDCNBSA-N 213.324 2.946 30 20 BFED C=C[C@H](COC)NCc1ncc(C(C)C)s1 309961559 LLMMOEIMAGIIFG-SNVBAGLBSA-N 240.372 2.557 30 20 BFED CC[C@@H](O)[C@@H](CC)Nc1ccc(F)cc1C#N 313087143 COZMADRBVSNUQX-DGCLKSJQSA-N 236.290 2.659 30 20 BFED OC(=Nc1cn[nH]c1)c1coc(C2CCCC2)n1 329946799 GPSIEWJARDGNGR-UHFFFAOYSA-N 246.270 2.692 30 20 BFED O/C(=N/Cc1ncccc1O)[C@@H]1CC12CCCC2 329946922 YCUGXOHMMPFWCR-JTQLQIEISA-N 246.310 2.824 30 20 BFED Cc1nnc(S[C@H](C)CCC#N)n1C(C)C 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30 20 BFED CCN(CCCC1(C#N)CCOCC1)C1CC1 337132212 LDIXHXVGWFDQKB-UHFFFAOYSA-N 236.359 2.571 30 20 BFED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@H](F)C1 340844862 DSLGLMBMFILQBT-VHSXEESVSA-N 249.245 2.769 30 20 BFED CCCCN(CCC#N)CC(F)(F)F 341179862 YLFJSFZZMPDQML-UHFFFAOYSA-N 208.227 2.564 30 20 BFED C=CCCN(C)c1nc(C(C)(C)C)ns1 341504487 HCBPGJDNELXCKN-UHFFFAOYSA-N 225.361 2.848 30 20 BFED Cc1nsc(N(C)CC(C)(C)C)c1C#N 342088610 ADDQCOGGDKBPSO-UHFFFAOYSA-N 223.345 2.806 30 20 BFED C=C(C)CCc1noc(Cc2cccnc2)n1 349777768 OWGRAMNAJDGGDY-UHFFFAOYSA-N 229.283 2.564 30 20 BFED CCN(CC#N)C[C@H]1C[C@H]1c1ccccc1 352650567 ZASKYTNRGFFHAX-KGLIPLIRSA-N 214.312 2.636 30 20 BFED C[C@H](NCCCCC#N)c1ccc2n[nH]cc2c1 353183691 PVUZMBCYTKCWQO-NSHDSACASA-N 242.326 2.907 30 20 BFED C=C[C@@H](C)NC(=O)[C@@H](c1ccncc1)C(C)C 354836641 BRSJTGNRSMVPSF-DGCLKSJQSA-N 232.327 2.512 30 20 BFED CC[C@@H]1CC[C@H](C)N1C(=O)NCCCCC#N 357590732 SANLJSANNRFWDT-NWDGAFQWSA-N 237.347 2.653 30 20 BFED C=C(CC)CN1CCn2cccc2[C@H]1C 358624632 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30 20 BFED N#Cc1ccc(F)c(CNc2ccc(F)cn2)c1 83373369 UVQUOODYRMGZRF-UHFFFAOYSA-N 245.232 2.844 30 20 BFED Cc1cc(CN(C)[C@H](C)CC#N)c(C)o1 93090905 TYFRIQXOHCCLGO-SECBINFHSA-N 206.289 2.630 30 20 BFED C=CCCC(=O)N1CCc2ccccc2CC1 116072140 HXHBKQDWPLATHJ-UHFFFAOYSA-N 229.323 2.580 30 20 BFED C=CCC[C@@H](NC[C@H]1CCN(C2CC2)C1)C1CC1 120117536 YRRYXFJRKYKJGP-CZUORRHYSA-N 248.414 2.805 30 20 BFED CC(C)C[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 120740119 FGRGIQHHKLBXCM-LBPRGKRZSA-N 245.326 2.537 30 20 BFED C[C@@H](N[C@@H]1CCSC1)c1cccc(C#N)c1 122146816 RNEZKDQRQPHBAO-ZWNOBZJWSA-N 232.352 2.714 30 20 BFED CCCCCCCC(=O)NC[C@H](O)CCC 131436704 ZVWYXMUPKFWNEN-GFCCVEGCSA-N 229.364 2.624 30 20 BFED CC[C@H](O)CN(CCCC#N)Cc1ccccc1 134503557 RWDBNTVTHXKZKI-HNNXBMFYSA-N 246.354 2.563 30 20 BFED C[C@H]1CCCC[C@@H]1CNCC(C)(C)C#N 134976862 PYVSTKMFEMTYJQ-NWDGAFQWSA-N 208.349 2.952 30 20 BFED N#Cc1ccc(CN[C@H]2CCCc3occc32)o1 135146803 MOLJTMPBWMCGEN-ZDUSSCGKSA-N 242.278 2.911 30 20 BFED C=CCN(C)C(=O)NCCCC1CCCC1 153632655 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CC(C)CC1(NC(=O)NCC2(C#N)CCC2)CC1 596633579 LCUNRWKQVAMOJL-UHFFFAOYSA-N 249.358 2.558 30 20 BFED CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC[C@@H](CC#N)C1 597904016 CFYGNDKJAITELM-GUTXKFCHSA-N 248.370 2.821 30 20 BFED C[C@H]1CC(C(=O)N(C2CC2)[C@H](C)C#N)C[C@H](C)C1 598133706 RTNCOFRUNBNVFS-IJLUTSLNSA-N 248.370 2.962 30 20 BFED CCN(C[C@@H](C)C#N)[C@@H](C)c1cnc(C)nc1C 602447745 PADFMFNSMXPMTN-JQWIXIFHSA-N 246.358 2.636 30 20 BFED COc1ccc(CCNC[C@@H](C)CCC#N)cc1 602505170 USIXLTMWGBSQHM-ZDUSSCGKSA-N 246.354 2.767 30 20 BFED CC[C@H](CSC)N(C)C[C@H](C)CCC#N 602664540 GEXYJKXNVHZHGT-VXGBXAGGSA-N 228.405 3.000 30 20 BFED CC[C@@H](C)[C@H](CN(C)CC(C)(C)C#N)OC 602675111 KCBYZTBZDNKPKB-NEPJUHHUSA-N 226.364 2.529 30 20 BFED C=C(C)CCN[C@@H](C)CC1(C#N)CCOCC1 602675787 NQZUYRHUYLTVKV-ZDUSSCGKSA-N 236.359 2.641 30 20 BFED CC1(C)CN(CCC#N)[C@@H]1c1ccco1 602927483 SQIWSPVAKWZLLA-LLVKDONJSA-N 204.273 2.576 30 20 BFED CC[C@@H](NC(=O)N(C)C[C@@H](C)C#N)C(C)(C)C 609254737 HSGWFVVUCFWAIY-WDEREUQCSA-N 239.363 2.612 30 20 BFED 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COCC#CCN[C@@]1(c2ccccc2)CC1(C)C 662343469 RQVVVTPXFIXBEJ-MRXNPFEDSA-N 243.350 2.551 30 20 BFED C=C(C)CN(CC)C(=O)NCCC(C)(C)F 666424576 SNFIBZTXJKZEFV-UHFFFAOYSA-N 230.327 2.732 30 20 BFED C=CCCN[C@H](C)CCc1ccc(OC)c(O)c1 668481381 GNGDJMAGYHIOPG-GFCCVEGCSA-N 249.354 2.888 30 20 BFED C=CCN(CC=C)C(=O)N[C@@H]1CCC(F)(F)C1 675717996 IQYAHPYDKSCOBT-SNVBAGLBSA-N 244.285 2.558 30 20 BFED C=CCCCCNC(=O)[C@@H]1CC12CCC2 681145002 HOUPNMZFNZXOLU-NSHDSACASA-N 207.317 2.649 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@H](C)c1ccco1 684938423 ABTYZYZKEQPJII-GHMZBOCLSA-N 221.300 2.854 30 20 BFED C=CC[C@@H](CC)NCc1csc(C(=O)O)c1 689075674 BPYUFCJRTKGBQF-SNVBAGLBSA-N 239.340 2.891 30 20 BFED CC[C@@](C)(C#N)NC(=O)/C=C\c1cccs1 701161311 QAHYZXFNAMDSGD-DGMVEKRQSA-N 234.324 2.570 30 20 BFED C#CCN(C(=O)/C=C\c1cccc(F)c1)C(C)C 708491618 IRJDKLOJZKQOKV-HJWRWDBZSA-N 245.297 2.709 30 20 BFED C=CCCCCCN(CCC(=O)O)CC1CC1 717224989 CUCYQEQMWZNGPQ-UHFFFAOYSA-N 239.359 2.920 30 20 BFED C=C(C)CCN[C@@H]1CCC[C@@H](OCC)C1 721254129 KQJFABXOTWDQBQ-CHWSQXEVSA-N 211.349 2.890 30 20 BFED Fc1ccc(C=NNC2CCCC2)cc1F 727652601 SYVHNZDLFJWGSP-UHFFFAOYSA-N 224.254 2.831 30 20 BFED C=CCOC(=O)c1c(Cl)cccc1[N+](=O)[O-] 730645736 PHCYIMBLLVJLCL-UHFFFAOYSA-N 241.630 2.591 30 20 BFED C=C(Cl)CNC(=O)N1CCC[C@@H]1CC(C)C 736398621 AWDWOOHGODZJFN-LLVKDONJSA-N 244.766 2.959 30 20 BFED Clc1ccc(NN=Cc2ccco2)cn1 743451813 MDHVZOZJBQGEPR-UHFFFAOYSA-N 221.647 2.774 30 20 BFED N#Cc1ccccc1/C=C\C(=O)OCCC1CC1 744284863 NLVRVQOMLBRTDY-FPLPWBNLSA-N 241.290 2.915 30 20 BFED C#C[C@H](CC)NC(=O)NCCCCC(C)(C)C 753125035 KOKOSUXRQAAKJM-GFCCVEGCSA-N 238.375 2.914 30 20 BFED CC#CCCOC(=O)c1ccc2ccccc2n1 760289540 NDUMDKWXSFLBPA-UHFFFAOYSA-N 239.274 2.805 30 20 BFED CCC[C@H](C#N)NC(=O)C(F)=C1CCCC1 763034559 XIRSBFZOYNESTG-SNVBAGLBSA-N 224.279 2.592 30 20 BFED CON=C1C[C@H](C)CN(Cc2ccccc2)C1 767357217 YNKASBXMZYYSKW-LBPRGKRZSA-N 232.327 2.531 30 20 BFED c1ccc([C@@H]2CCC2=NNC2CCOCC2)cc1 769791854 CSYRNXHSLYLYAU-AWEZNQCLSA-N 244.338 2.689 30 20 BFED CCOc1ccc(C(C)=NNC[C@H](C)C#N)cc1 771095779 BRXRLVDOLRBFAD-LLVKDONJSA-N 245.326 2.559 30 20 BFED CCCCCCC=NOCCOCC 774435275 OMRSMBHZWSDMTA-UHFFFAOYSA-N 201.310 2.996 30 20 BFED Cc1cccc2c1CCC2=NOC1CCOCC1 774437138 NQFYJEUPMHGZCI-UHFFFAOYSA-N 245.322 2.841 30 20 BFED Oc1ccccc1C=NOC1CCCC1 774608382 LALXXBCUGMVXTF-UHFFFAOYSA-N 205.257 2.685 30 20 BFED C[C@H](C(=O)OCC1(C#N)CC1)C1CCCC1 775864473 DNFUKYWVGGFKDW-JTQLQIEISA-N 221.300 2.660 30 20 BFED CCN(CC#N)C[C@@H]1CCc2ccccc21 780291231 GLPNDPGQWABAOM-ZDUSSCGKSA-N 214.312 2.562 30 20 BFED C/C(=C/C(=O)NCCC#N)c1cccc(Cl)c1 787619168 DMWYIPPFCGKEOD-NTMALXAHSA-N 248.713 2.773 30 20 BFED CC1(C)CCC(=NN[C@H](CO)c2ccccc2)C1 788456465 AVZKYDWGJWNNGL-CQSZACIVSA-N 246.354 2.876 30 20 BFED CC1(C)CCC1=NNc1cccc(C(=O)O)c1 788938277 CXJNKHWMEFYGME-UHFFFAOYSA-N 232.283 2.973 30 20 BFED C=CCCC[C@@H](C)NC(=S)NC1(C)CC1 789295510 VZYRGRHVGJAQGB-SNVBAGLBSA-N 226.389 2.748 30 20 BFED FC(F)CON=C1CCC2(CC1)CC2 792640285 BEBIRRSJSGZZDK-UHFFFAOYSA-N 203.232 2.978 30 20 BFED CCc1cnccc1C(C)=NOCCSC 794574154 XSAINGBRERZUHJ-UHFFFAOYSA-N 238.356 2.748 30 20 BFED CSCCON=Cc1cnc(Cl)c(C)c1 794574168 YDPKAUZUMTVRTA-UHFFFAOYSA-N 244.747 2.757 30 20 BFED Cc1cnn(C)c1/C=C\C(=O)c1cccs1 794689329 AMBLRKQIWJGQLH-WAYWQWQTSA-N 232.308 2.686 30 20 BFED CC(=NN[C@H]1C[C@H]2CC[C@H]1C2)c1ccnc(F)c1 794921976 MORHQWHZYTVHKS-DRZSPHRISA-N 247.317 2.723 30 20 BFED N#C[C@@H]1CC[C@H](Nc2ccc3c(c2)OCCO3)C1 799724595 ONSPHADBEFJBOH-MNOVXSKESA-N 244.294 2.562 30 20 BFED CC#CC(=O)N(C1CC1)[C@@H]1CCc2ccccc21 801141945 YLWZGWMIYBPEPM-OAHLLOKOSA-N 239.318 2.688 30 20 BFED C#C[C@@H](C)N(C)c1cnc(-c2ccccc2)cn1 813603859 MSFANKYLRKRYJQ-GFCCVEGCSA-N 237.306 2.602 30 20 BFED CCC(=NN[C@@H](C)c1ccncc1)[C@@H]1CCOC1 819816259 IBVNSCFKWPRDDL-WCQYABFASA-N 247.342 2.535 30 20 BFED C=CCCNC(=O)N1CC=C(c2ccccc2)C1 820765524 PNJCCANNZIJTBL-UHFFFAOYSA-N 242.322 2.671 30 20 BFED CCCN(CC(C)C)C(=O)C#Cc1cccs1 824750430 JDPYFMBDKCTLPM-UHFFFAOYSA-N 249.379 2.994 30 20 BFED C#Cc1cnc(N[C@H]2CCc3ccc(C)cc32)nc1 827588406 FDRYUKHOCMWBSH-HNNXBMFYSA-N 249.317 2.866 30 20 BFED C=CCONC(=O)NC1CCCCCCC1 834921212 SXLZLSKXOILRDZ-UHFFFAOYSA-N 226.320 2.516 30 20 BFED Cc1nc2ccccc2nc1C=NOC1CCC1 834978910 JLUJXHUOQGTDNQ-UHFFFAOYSA-N 241.294 2.841 30 20 BFED CCC[C@H](C)[C@H](C)OC(=O)c1ccc(C#N)n1C 835325422 VKHAKFZAPJFDKU-QWRGUYRKSA-N 248.326 2.878 30 20 BFED C=C[C@@H](OC(=O)[C@@H]1CC1(F)F)C(C)(C)C 835392000 UGLFGIJEENUTFU-JGVFFNPUSA-N 218.243 2.786 30 20 BFED C=C[C@@](C)(CCOC)C(=O)OC[C@@H](C)SC 835685455 LAADPHCDMFMVIQ-PWSUYJOCSA-N 246.372 2.510 30 20 BFED C=CCONC(=O)Nc1ccc(C2CC2)cc1 836489862 YAXHSIZZGXAILU-UHFFFAOYSA-N 232.283 2.803 30 20 BFED C/C=C(/CC)C(=O)NCc1ccc(C#N)c(F)c1 837109330 WMFGGTWKMXEMJX-JYOAFUTRSA-N 246.285 2.670 30 20 BFED C[C@H]1C[C@@H](C)CN(C(=O)C#CC(C)(C)C)C1 837307234 HFWIBOTYKQTHMR-TXEJJXNPSA-N 221.344 2.540 30 20 BFED CC(C)N(Cc1ccccc1)C(=O)C#CC1CC1 837325926 FXCTXPUEUZYBFY-UHFFFAOYSA-N 241.334 2.837 30 20 BFED CC(C)CN(CC(C)C)C(=O)C#CC1CC1 837412839 DQGXJXSESKVXIP-UHFFFAOYSA-N 221.344 2.540 30 20 BFED CC(C)(C)C#CC(=O)OC[C@@H]1Cc2ccccc21 838371284 JMGPLBKYPYABNX-ZDUSSCGKSA-N 242.318 2.919 30 20 BFED C#C[C@H](CC)NC(=O)N[C@@H](CC)[C@H]1CC1(C)C 841587301 RQNGWCQOSCBCFS-UTUOFQBUSA-N 236.359 2.522 30 20 BFED Cc1occc1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 841632212 UBSCEFAHEICMNE-GMXVVIOVSA-N 218.300 2.700 30 20 BFED CC(CCCCC#N)=NN[C@@H](C)C(F)(F)F 841641762 VHWHFEWJHKURAT-VIFPVBQESA-N 235.253 2.987 30 20 BFED C[C@H](O)CN(C)N=C1CC[C@H](c2ccccc2)C1 841652746 SAYBOITURBRQOD-JSGCOSHPSA-N 246.354 2.623 30 20 BFED CCN(CCO)N=C(C)C[C@@H](C)CC(C)C 842537212 RBMAIFLYVJAJOY-LBPRGKRZSA-N 228.380 2.749 30 20 BFED C#CC1CCN(Cc2cnc(CC)s2)CC1 843426577 AMHBXAGEGNLLLK-UHFFFAOYSA-N 234.368 2.551 30 20 BFED C=C(C)CONC(=O)N[C@@H]1CCCC[C@H]1CC 844286296 WFBISHQDLCKNCE-VXGBXAGGSA-N 240.347 2.762 30 20 BFED C=C(C)CON=Cc1cnc(C2CC2)s1 844618900 MUSXMKZORXUBSN-UHFFFAOYSA-N 222.313 2.947 30 20 BFED C=C[C@@H](C)ON=C(CC)c1ccncc1 844620878 RBWWENKALYQYNW-SNVBAGLBSA-N 204.273 2.787 30 20 BFED C=CCNCc1cc(OC)cc(C(C)(C)C)c1O 850007842 NJMPXYCCPLUBTE-UHFFFAOYSA-N 249.354 2.974 30 20 BFED C#C[C@@H](C)N(C)C[C@H](CC)CC(F)F 851990529 TVKDOCLYPPCFBK-NXEZZACHSA-N 203.276 2.621 30 20 BFED C#C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(C)C2)C(C)C 852304864 QWICCYQXJABLKR-MELADBBJSA-N 248.370 2.617 30 20 BFED C=CCNc1ccc(OC(F)F)c(OC)c1 853065312 XUZUKGZDKPGXMK-UHFFFAOYSA-N 229.226 2.895 30 20 BFED C=C(C)COC(=O)Cc1cc(C)cc(C)c1 853097333 BYHPMSOEXKOZBV-UHFFFAOYSA-N 218.296 2.965 30 20 BFED CC(CC(C)(C)C#N)=NO[C@@H]1CCCCO1 853325201 IQGZPJHOBXXOPJ-LLVKDONJSA-N 224.304 2.845 30 20 BFED Cc1ncc(C=NN[C@@H]2CCCCC2(C)C)n1C 853340783 IMJBDNUOTSDIFJ-CYBMUJFWSA-N 248.374 2.621 30 20 BFED N#Cc1ccc(C=NOCC2CCC2)cc1F 853440708 KUXYIIBKQUNRGS-UHFFFAOYSA-N 232.258 2.848 30 20 BFED C#C[C@](C)(CC)NC(=O)/C=C\C1CCCC1 854693865 XOCUPIOFICGRPH-IWMPZKFUSA-N 219.328 2.651 30 20 BFED C#CC[C@H](CCOC)Nc1ccc(C#N)cc1F 858856415 DQSJJYULEBYNKW-GFCCVEGCSA-N 246.285 2.538 30 20 BFED C#CC(C)(C)NC(=O)[C@@H](C)Cc1ccccc1C 859372767 DJRKHFNVKCYXLP-ZDUSSCGKSA-N 243.350 2.702 30 20 BFED CCC(C#N)(CC)C(=O)Oc1ccc(OC)cc1 860454382 WWOBMCBEUYMTEY-UHFFFAOYSA-N 247.294 2.931 30 20 BFED C#CCC(C)(C)C(=O)Nc1cccc(OC)c1C 862776493 FCVQPEXQKMENEM-UHFFFAOYSA-N 245.322 2.992 30 20 BFED CC(C)Cc1ccc(C=NNCC(C)(C)O)cc1 863137873 OXIUQVOVRNBSKM-UHFFFAOYSA-N 248.370 2.580 30 20 BFED C=CCOCCN[C@H](C)Cc1cccc(C)c1 866336531 KWSPYMJZMXUIFO-CQSZACIVSA-N 233.355 2.718 30 20 BFED C=CC(C)(C)C(=O)N1C[C@H]2CC=CC[C@H]2C1 871522382 JTCWUXWOTAVUQZ-TXEJJXNPSA-N 219.328 2.623 30 20 BFED COc1cc(C=NN2CCC2)cc2ccccc12 872398272 LWFZOEMFTNYFBZ-UHFFFAOYSA-N 240.306 2.888 30 20 BFED C#CCCCC(=O)N(C)c1ccc(C(C)=O)cc1 876465457 PDNGTHQCFIEUAE-UHFFFAOYSA-N 243.306 2.656 30 20 BFED C=CC(C)(C)CC(=O)N[C@H](C#N)C(C)(C)C 889360440 PMMGNLVVTFCZMF-SNVBAGLBSA-N 222.332 2.643 30 20 BFED C#Cc1ccc(NC(=O)[C@H](C)[C@H](C)COC)cc1 891312889 CJYJWUZFAFICKQ-VXGBXAGGSA-N 245.322 2.525 30 20 BFED C=CC(C)(C)C(=O)OCc1cnn2ccccc12 893661365 GFYSOBWTNWBJNW-UHFFFAOYSA-N 244.294 2.590 30 20 BFED C[C@@H](C(=O)N[C@H](C#N)C1CCCC1)C1CCC1 893708717 HZPZLEHXDZNGME-ZWNOBZJWSA-N 234.343 2.621 30 20 BFED C[C@@H](C#N)CNC(=O)NC1(C2CCCCC2)CC1 894109099 GYBBWFQZPNLAQX-NSHDSACASA-N 249.358 2.558 30 20 BFED N#C[C@@H]1CC[C@H](Nc2cncc(Cl)c2)C1 895880518 QMDUIWJRLRGEDE-SCZZXKLOSA-N 221.691 2.839 30 20 BFED C=CCCc1noc([C@H]2CCO[C@H]2C(=C)C)n1 903715408 ILNGSGAESVAZFS-JQWIXIFHSA-N 234.299 2.637 30 20 BFED C[C@H]1C[C@@H]1C(=O)N(O)Cc1ccccc1Cl 904187942 XNUCNTGTTWEJKO-WPRPVWTQSA-N 239.702 2.714 30 20 BFED C=CCC(CC=C)C(=O)N(O)CCCC 904212935 YXTQQVIVPZTWCJ-UHFFFAOYSA-N 211.305 2.773 30 20 BFED CCOc1ccc(C=NNCC(C)C)cc1 916366499 VCDYTSAEAREPEJ-UHFFFAOYSA-N 220.316 2.665 30 20 BFED COc1ccc2c(c1)CCCC2=NNCC(C)C 916366501 VDXAPYXYQSXLMO-UHFFFAOYSA-N 246.354 2.981 30 20 BFED C[C@@H](C#N)OC(=O)CCc1ccc(Cl)s1 919398542 HITISKDKKADBPH-ZETCQYMHSA-N 243.715 2.789 30 20 BFED C=CCC[C@H](O)CN1CCCNc2ccccc21 923362427 TVBNUQMUIRUVHK-ZDUSSCGKSA-N 246.354 2.636 30 20 BFED C=C[C@@H](CC)CC(=O)N1c2ccncc2C[C@H]1C 1123946562 NSMCKTDHCTXIEZ-NEPJUHHUSA-N 244.338 2.962 30 20 BFED Oc1cccc(C=NNCc2ccc(F)cc2)c1 1322629589 VCVGLDHKWTYOPY-UHFFFAOYSA-N 244.269 2.655 30 20 BFED CC(C)CNN=Cc1ccc(N2CCCC2)cc1 1323367814 RACFZDZQXBLMJK-UHFFFAOYSA-N 245.370 2.866 30 20 BFED C=C(CC(C)C)C(=O)N(C)Cc1ccns1 1347110374 QAGWLVCWSOWVHT-UHFFFAOYSA-N 238.356 2.704 30 20 BFED C=C(CC)C(=O)NC[C@@H](OC)C1CCCCC1 1347841551 PETFONGVTGUETF-CYBMUJFWSA-N 239.359 2.664 30 20 BFED C=C(CC)C(=O)N1CC[C@]2(CC[C@H](C)C2)C1 1548683047 OOSNYEGORNOXNR-FZMZJTMJSA-N 221.344 2.991 30 20 BFED C=CCNC(=O)c1cc2c(F)cccc2s1 8271342 ADBYVHSNPUZXSB-UHFFFAOYSA-N 235.283 2.956 30 20 BFED C#Cc1cccc(NCc2c(C)nn(C)c2C)c1 20085187 JPFCKSNWNYFDMN-UHFFFAOYSA-N 239.322 2.630 30 20 BFED CN(CC#N)Cc1ccc(C(F)(F)F)cc1 44296932 DEZIWUPNZYJIJS-UHFFFAOYSA-N 228.217 2.661 30 20 BFED Cc1ccc(C#N)c(NCCOCCC(C)C)n1 45108115 ASJBEGPHLVWSQB-UHFFFAOYSA-N 247.342 2.736 30 20 BFED COC[C@@H](C)CNc1ccc(C#N)cc1C 45709783 KXSPNABUCCOECY-JTQLQIEISA-N 218.300 2.561 30 20 BFED C[C@H](C#N)CNCc1ccccc1N1CCCC1 54181050 RMZPPEJLIKNXRU-CYBMUJFWSA-N 243.354 2.536 30 20 BFED Cc1sc(NC(=O)[C@H]2C[C@@H]2C)c(C#N)c1C 60391186 PMADCYPTLLJVOO-RCOVLWMOSA-N 234.324 2.831 30 20 BFED N#Cc1cccc(NCc2ccccc2F)n1 80116905 WBLDTQICLKJCGI-UHFFFAOYSA-N 227.242 2.704 30 20 BFED N#Cc1ccc(OCc2cscn2)cc1F 82644270 XLRCXORCOJPEKJ-UHFFFAOYSA-N 234.255 2.733 30 20 BFED N#CC1(C(=O)Nc2cc(F)cc(F)c2)CCC1 83795085 DERDCBAIPYIFPT-UHFFFAOYSA-N 236.221 2.597 30 20 BFED CC1CCC(O)(CNc2ccc(C#N)cc2)CC1 87066478 QCVPWVFNPMYOGE-UHFFFAOYSA-N 244.338 2.911 30 20 BFED COc1cc(C=O)ccc1OCCC(C)(C)C#N 87592247 NUXYTQLKAYWWPF-UHFFFAOYSA-N 247.294 2.826 30 20 BFED C=CC(C)(C)CNC(=O)c1ccccc1 90734804 HREHVTRBXRFJBF-UHFFFAOYSA-N 203.285 2.629 30 20 BFED C#CCCCOC(=O)CO[C@H]1CCCC[C@H]1C 113655001 JDHCLZLGFPQLLK-OLZOCXBDSA-N 238.327 2.538 30 20 BFED C#CCCCOC(=O)CO[C@@H]1CCCC[C@H]1C 113655004 JDHCLZLGFPQLLK-CHWSQXEVSA-N 238.327 2.538 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 116853029 JKOJLXPIVJGAEN-SNVBAGLBSA-N 248.282 2.598 30 20 BFED CCCCCCCSc1ncc(CO)n1C 117533996 NCPGVWNWIRMXMT-UHFFFAOYSA-N 242.388 2.975 30 20 BFED C[C@H]1CCC[C@H](Cn2cccc(C#N)c2=O)C1 120062864 UFDDLKLKRIZURU-RYUDHWBXSA-N 230.311 2.546 30 20 BFED C=C(C)CNC(=O)Cc1c(F)cccc1Cl 122994512 MQRWTRIGBRAMIV-UHFFFAOYSA-N 241.693 2.714 30 20 BFED CCC[C@H](C)CC(=O)N[C@@](C)(C#N)CC 127070367 PPIGPCZTRYTNQE-CMPLNLGQSA-N 210.321 2.621 30 20 BFED CSCC[C@H](C)Nc1ccnc(C#N)c1 130722069 PUXXDWNYBXXEPF-VIFPVBQESA-N 221.329 2.507 30 20 BFED Cc1cc(C#N)ccc1COC(=O)[C@H]1C[C@@H]1C 131065531 DKGILRBJDQCKNS-GWCFXTLKSA-N 229.279 2.566 30 20 BFED CC[C@@H](CC#N)NCc1cccnc1Cl 135039747 NQGIKWSPOFOSOY-JTQLQIEISA-N 223.707 2.517 30 20 BFED CC#CCNC(=O)N1CCC[C@@H]1c1ccccc1 136039000 HFXYVJSTZICULZ-CQSZACIVSA-N 242.322 2.556 30 20 BFED CN1CCCC[C@@H]1CCOc1ccccc1C#N 148089086 CSWDURZXELKGAC-CQSZACIVSA-N 244.338 2.811 30 20 BFED C=CCCS[C@H](C)C(=O)N1CCCCC1 151958875 QBXSTURKMSCCKJ-LLVKDONJSA-N 227.373 2.697 30 20 BFED C=CCCCO/N=C/c1ccc([N+](=O)[O-])o1 156916242 KGLHKIUWRNCRIA-DHZHZOJOSA-N 224.216 2.505 30 20 BFED C=C(C)CN(CC)Cc1ccc2cn[nH]c2c1 158993045 SQKLEDHFPNDDEJ-UHFFFAOYSA-N 229.327 2.961 30 20 BFED C=C(C)CNC(=O)[C@@H](C)CCOc1ccccc1 161119955 GJDGYZJSQOCDRL-ZDUSSCGKSA-N 247.338 2.784 30 20 BFED Cc1ccncc1CNc1snc(C)c1C#N 163259054 RQTWMBWRBACDSD-UHFFFAOYSA-N 244.323 2.639 30 20 BFED C#CCCCOC(=O)[C@@H]1CCC[C@H](C)C1 174052576 CQZVOXZMSSRTRS-NWDGAFQWSA-N 208.301 2.769 30 20 BFED C[C@@H](C#N)Nc1ccc2c(c1)C(=O)CCC2 175520148 LYHZBPVFMOJWEH-VIFPVBQESA-N 214.268 2.530 30 20 BFED C#CCCSc1nc2cc(F)c(F)cc2[nH]1 178166507 CIMJUXOUEGLWGN-UHFFFAOYSA-N 238.262 2.957 30 20 BFED C[C@@H](C#N)CNC(=O)C[C@H]1CCCCC1(C)C 178565268 KYJLTFVHONXZNJ-NWDGAFQWSA-N 236.359 2.869 30 20 BFED C=CCCCC(=O)N(C)c1ccc2c(c1)OCO2 179297587 NSUBRTFQOMAGNJ-UHFFFAOYSA-N 247.294 2.734 30 20 BFED C=CCCC[C@@H](C)NC(=O)NCC(F)(F)F 180413903 WIMIYLBESXUQSU-MRVPVSSYSA-N 238.253 2.593 30 20 BFED C=C(C)CN(C)C(=O)Cc1cc(C)ccc1C 180417051 RROXJIXTSVWSHG-UHFFFAOYSA-N 231.339 2.880 30 20 BFED C=CCCOCCN[C@H]1CCc2cc(F)ccc21 181768247 LULIBMOIRLDUHB-HNNXBMFYSA-N 249.329 2.995 30 20 BFED C=CCCC[C@H](C)NC(=O)[C@@H](C)SC 182645075 PWOZDCPLGSNFHN-VHSXEESVSA-N 215.362 2.599 30 20 BFED C[C@@H]1CCC[C@@H]1CC(=O)OCCCC#N 184961757 HCYGXXVNMDKJSF-GHMZBOCLSA-N 209.289 2.660 30 20 BFED CC#CCCCC(=O)NC[C@@H]1C[C@@H]2CC[C@@H]1C2 185390345 PAYHSEZSIFTTTR-MCIONIFRSA-N 233.355 2.732 30 20 BFED C#C[C@@H](C)NC(=O)C[C@H](C)Cc1cccc(F)c1 185984397 ZRGMYYHJEKRIIO-VXGBXAGGSA-N 247.313 2.532 30 20 BFED C=C(C)CN(CC)Cc1cncc(C)c1 189768963 UOXYIRYOHGYBFM-UHFFFAOYSA-N 204.317 2.788 30 20 BFED C=CCCC[C@H](C)NC(=O)c1c[nH]nc1C1CC1 190991460 JUODTMYBQOMSTA-JTQLQIEISA-N 247.342 2.762 30 20 BFED C=C[C@@](C)(CC)C(=O)N(CCO)CCCCC 191174562 WFTUTILMXUWEIP-AWEZNQCLSA-N 241.375 2.600 30 20 BFED C#CCCCC(=O)OCc1ccsc1 191266372 RWSKGZLTQMDEMW-UHFFFAOYSA-N 208.282 2.595 30 20 BFED CCCCCCCC(=O)N1CCO[C@H](CC)C1 192594586 WKDNKGHOUUISOO-CYBMUJFWSA-N 241.375 2.984 30 20 BFED C#Cc1cccc(N[C@H]2CCOC[C@@H]2C)c1 192735451 DYQZNHHLUWSYEI-FZMZJTMJSA-N 215.296 2.505 30 20 BFED Cc1ccc(N(C)C(=O)CSCC#N)c(C)c1 193485617 GFMYUMCLZZYULH-UHFFFAOYSA-N 248.351 2.523 30 20 BFED CO[C@H](C)CNc1ccc(Cl)cc1C#N 224220113 MNIIHGZSKFJRFK-MRVPVSSYSA-N 224.691 2.658 30 20 BFED CC(C)C(=O)Nc1ccc(C#N)cc1Cl 225779106 ULPBDZWJXQBVRO-UHFFFAOYSA-N 222.675 2.806 30 20 BFED C[C@@H](Nc1cc(F)cc(C#N)c1)[C@H]1CCOC1 227630689 IUBZSJONCSSFQH-KOLCDFICSA-N 234.274 2.534 30 20 BFED C=C[C@H](C)NCc1occc1Br 229027301 QYMMYARHTJODND-ZETCQYMHSA-N 230.105 2.706 30 20 BFED CC(C)(C#N)CCCCN1CCOC(C)(C)C1 232786580 CCHPVCXQLWLNHJ-UHFFFAOYSA-N 238.375 2.817 30 20 BFED COc1cc(C#N)cc(OCC(C)C)c1 234812210 BRYOSMPHZKQQCO-UHFFFAOYSA-N 205.257 2.602 30 20 BFED C=CCCCCCN(CCO)C1CCC1 236511737 HXOQMSZRWZHXFF-UHFFFAOYSA-N 211.349 2.580 30 20 BFED CC[C@H](C#N)NC(=O)[C@H]1CC[C@H](CC)CC1 249089692 CWPHQHYZJHCJRA-IJLUTSLNSA-N 222.332 2.621 30 20 BFED CC[C@H]1CC[C@H](C(=O)N[C@@H](C)CC#N)CC1 249786037 MDQUFEVPUYNGIM-SRVKXCTJSA-N 222.332 2.621 30 20 BFED C=C[C@H](C)N[C@@H](C)c1ccc([S@](C)=O)cc1 252715028 UJZDKOCWQIABRQ-MMPTUQATSA-N 237.368 2.649 30 20 BFED Cc1ccc2oc(N[C@@H](C)CC#N)nc2c1 260053424 DLBFYCNMYXEZPS-VIFPVBQESA-N 215.256 2.850 30 20 BFED C=CCN(Cc1cccc(C(=O)O)c1)C1CC1 263316616 HTBCJXXLLKDNOJ-UHFFFAOYSA-N 231.295 2.535 30 20 BFED CC[C@H](CC(=O)N(C)CC#N)c1ccccc1 264020173 GCUGRBPQVGPDPK-GFCCVEGCSA-N 230.311 2.552 30 20 BFED N#CCCCCNc1nnc(C(F)F)s1 269395497 WHIDQKZUJGNXHH-UHFFFAOYSA-N 232.259 2.581 30 20 BFED C#CCCCNc1cccc(C(=O)NCCC)c1 270967024 YXFWJPSBRRRDLA-UHFFFAOYSA-N 244.338 2.652 30 20 BFED COc1ccc(C#N)cc1NCC[C@@H]1CCCO1 276049757 IREOPZCIUJIJGP-LBPRGKRZSA-N 246.310 2.548 30 20 BFED C=CCCCCCNC(C)(C)c1noc(C)n1 278306551 AWBBHWYVCBBVDV-UHFFFAOYSA-N 237.347 2.949 30 20 BFED C=CCCN(C)C(=O)c1cccc2oc(C)nc12 279917452 FTHVWHVCNZHZDN-UHFFFAOYSA-N 244.294 2.784 30 20 BFED Cc1oc(C#N)cc1C(=O)N1CCCC(C)(C)C1 280668855 PPNNGGQRLLLUKM-UHFFFAOYSA-N 246.310 2.722 30 20 BFED C=CC[C@@H](CC)N[C@H](C)c1cnn(CC)c1 281585678 LJPJKJBITZXIPN-DGCLKSJQSA-N 221.348 2.908 30 20 BFED CC#CC(=O)Nc1ccc(OC(C)C)cc1F 283382185 RRBOAGIMCGGTME-UHFFFAOYSA-N 235.258 2.575 30 20 BFED C#C[C@@H](NC(=O)c1sccc1Cl)C(C)C 286010160 QXSFQUNSVJVUQE-SECBINFHSA-N 241.743 2.789 30 20 BFED CCC1(CNc2cccnc2C#N)CCOCC1 290798932 PJBWTNBJNSYCKI-UHFFFAOYSA-N 245.326 2.572 30 20 BFED C=C(C)CN(CC)c1nnc(CC2CC2)n1CC 291117813 XPDZRFQNWQQGCI-UHFFFAOYSA-N 248.374 2.653 30 20 BFED Cc1nc(S[C@@H]2CCO[C@@H]2C)ccc1C#N 291904581 KJTVAMFXKLULMI-MWLCHTKSSA-N 234.324 2.531 30 20 BFED Cc1nc(N[C@@H](C)[C@@H]2CCCCO2)ccc1C#N 292015476 SGZIJJZHLDTTTM-AAEUAGOBSA-N 245.326 2.631 30 20 BFED C[C@H]1Cc2ncn(CCCCC#N)c2C[C@H]1C 295122336 IXOVZLQGVJRBCC-NWDGAFQWSA-N 231.343 2.948 30 20 BFED C[C@H](Nc1c(C#N)cccc1C#N)c1ccccn1 302464073 SFIFFUDSBMDOQZ-NSHDSACASA-N 248.289 2.998 30 20 BFED CC#CCNC1(C(F)F)CCCCC1 306441280 JBKORSLABBUUDN-UHFFFAOYSA-N 201.260 2.567 30 20 BFED CC[C@H](CC#N)NC(=O)[C@H](CC)CC(C)C 308091627 SFERELGMDFWBMZ-VXGBXAGGSA-N 224.348 2.867 30 20 BFED Cc1nc(C#N)cc(N(C)C2CCC(C)CC2)n1 308184226 IFPAPVNAOIZZLC-UHFFFAOYSA-N 244.342 2.672 30 20 BFED CCCCNN=C[C@]1(C)CCCS1 308396535 DNQKUFAPVDMEKZ-JTQLQIEISA-N 200.351 2.648 30 20 BFED C[C@H](C#N)CNC[C@@H]1CCCC(C)(C)C1 308848495 NCUJLOCGIRKWRJ-VXGBXAGGSA-N 208.349 2.952 30 20 BFED C=CCC[C@H](C)N[C@@H](C)[C@@H]1CCCOC1 309002233 OMGGFVGSUNJVEW-RWMBFGLXSA-N 211.349 2.746 30 20 BFED C=CCC[C@@H](CCC)NCCC(C)(C)O 309185164 OOSZOEWKLVSTAT-GFCCVEGCSA-N 213.365 2.872 30 20 BFED C[C@@H](C#N)CNCCc1ccc(F)cc1Cl 309786911 SUPKXUKPLMMZMI-VIFPVBQESA-N 240.709 2.771 30 20 BFED CC(C)(CC#N)CNC(=O)Nc1cccc(F)c1 315656582 CEOQCWFCARPOGJ-UHFFFAOYSA-N 249.289 2.887 30 20 BFED C=CC(C)(C)C(=O)N=c1cc(C2CCCC2)[nH][nH]1 332403417 LASSQWOZBQHLAQ-UHFFFAOYSA-N 247.342 2.640 30 20 BFED C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@H]2C1 334199331 MPUKCSNLXAVMAV-RYUDHWBXSA-N 221.344 2.847 30 20 BFED C[C@H](C#N)CN(C)C(=O)[C@H]1CCCC(C)(C)C1 334202302 OWEQEWPBBLUSOI-NEPJUHHUSA-N 236.359 2.821 30 20 BFED N#Cc1cccc(CN[C@@H]2CCC[C@@H]2F)c1 334231062 SYXAGXKSTAPVFS-QWHCGFSZSA-N 218.275 2.538 30 20 BFED Cc1nsc(N[C@@H]2CS[C@@H](C)C2)c1C#N 334808858 ZBKXDBHJSJAHMT-XPUUQOCRSA-N 239.369 2.629 30 20 BFED Cc1c(C#N)cccc1NC(=O)NCC1(C)CC1 335227003 WOSFXISFOSWQJI-UHFFFAOYSA-N 243.310 2.788 30 20 BFED N#CC1(CNC(=O)Nc2ccccc2F)CCC1 335251861 WAYHIJZNNBRMFI-UHFFFAOYSA-N 247.273 2.641 30 20 BFED C=C[C@@H]1CCCCN1C(=O)c1ccsc1 335350618 HIBBADVGMTZQSY-LLVKDONJSA-N 221.325 2.929 30 20 BFED Cc1cc(NC(=O)[C@@]2(C#N)C[C@@H]2C)ccc1F 335587242 XYVWZFFFROGRKP-TVQRCGJNSA-N 232.258 2.622 30 20 BFED C=C[C@@H](C)NC(=O)[C@H]1CCCc2sccc21 335819313 AINIIWZEBXCZJM-KOLCDFICSA-N 235.352 2.859 30 20 BFED C[C@@H]1CCC[C@]1(C)C(=O)N1CCC(C#N)CC1 336240289 AJZIWMYZYLIGSM-RISCZKNCSA-N 234.343 2.575 30 20 BFED CC#CCN[C@@H](CC(F)(F)F)C(C)C 336650234 AJYMOGJDUDIKMK-VIFPVBQESA-N 207.239 2.576 30 20 BFED C=CCCCN1C[C@H](CN)[C@H](c2ccccc2)C1 337085315 ZHPMSEZZRKLDIV-HOTGVXAUSA-N 244.382 2.627 30 20 BFED Cc1c(C#N)cccc1C(=O)NCC1CCCC1 337880871 UOCNFYVNWYHGIA-UHFFFAOYSA-N 242.322 2.787 30 20 BFED C=CCOCCN1CCC[C@@H]1C(C)(C)C 338961812 GGZYWVPIEMMOEN-GFCCVEGCSA-N 211.349 2.700 30 20 BFED CC#CCN(C)CCSc1ccccc1 339756812 OFYLDQAAEQQEAS-UHFFFAOYSA-N 219.353 2.734 30 20 BFED C[C@H]1CCC[C@@H](CC(=O)N(CC#N)C2CC2)C1 346524142 CFLPAZRARWTGNZ-NWDGAFQWSA-N 234.343 2.717 30 20 BFED CCC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)C#N 347107253 MXJIEWKIQYBVQV-JSGCOSHPSA-N 244.338 2.674 30 20 BFED C=CCCC1(c2nc([C@H]3CCCOC3)no2)CC1 347136257 GACLQMFUBURABH-NSHDSACASA-N 248.326 2.961 30 20 BFED Cc1ncc(CNc2cc(C#N)ccc2C)cn1 349728019 BIIOXSMZLXJGON-UHFFFAOYSA-N 238.294 2.577 30 20 BFED C=CCOCC(=O)N[C@@H]1CCC[C@H]1CCCC 354893224 XZVATKOTENVNCD-CHWSQXEVSA-N 239.359 2.664 30 20 BFED C=C(CC)CNc1cccc(C(=O)NC)c1C 358658699 BOXNIBJRUMUDTB-UHFFFAOYSA-N 232.327 2.733 30 20 BFED C=CCOCCCS[C@@H](C)c1cnccn1 359149286 WGJOKFFEVURPEL-NSHDSACASA-N 238.356 2.864 30 20 BFED C=CC[C@H](C)NC(=O)C(C)(C)C1CCOCC1 359527645 ANVDSRYOFOUUGQ-NSHDSACASA-N 239.359 2.520 30 20 BFED CC[C@H](C)CC(=O)N[C@](C)(C#N)C(C)(C)C 362489692 PGDJPYKYJHPSGB-GXFFZTMASA-N 224.348 2.867 30 20 BFED C#CCC(C)(C)C(=O)N1CC2(CCC2)[C@H]1C1CC1 366310980 PIEQPAHDBLDFQU-CYBMUJFWSA-N 245.366 2.827 30 20 BFED C=CCCCC(=O)N1CC[C@H](c2ccco2)C1 370068189 VLUPRZXONNLNAE-LBPRGKRZSA-N 233.311 2.952 30 20 BFED CO[C@H]1CCCN(CC(C)(C)CCC#N)CC1 370705621 HVYVXLJCSSATNR-ZDUSSCGKSA-N 238.375 2.817 30 20 BFED CC1(C)CC(CNCc2ccc(C#N)o2)C1 381350732 AVINUSOMBVDPDT-UHFFFAOYSA-N 218.300 2.677 30 20 BFED CCN(CCC#N)C(=O)[C@H]1CCC[C@@H](C)C1 383180406 MVNHFWRZAMQZCD-NEPJUHHUSA-N 222.332 2.575 30 20 BFED C=CC[C@@H](CC)Nc1cc(C(=O)OC)ccn1 393805052 WJDXYYAKBNEGNB-LLVKDONJSA-N 234.299 2.635 30 20 BFED C#CCN(CC1CC1)C(=O)c1cccc(F)c1C 398868203 CQZBSXCLQNMALA-UHFFFAOYSA-N 245.297 2.620 30 20 BFED C[C@@H](CCC#N)N1CCOC2(CCCCC2)C1 411304927 DLIAEIYJKAKVPI-ZDUSSCGKSA-N 236.359 2.714 30 20 BFED C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1ccco1 412936082 BSWOSIQGVSSEOS-GYSYKLTISA-N 233.311 2.854 30 20 BFED 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120156103 BCWOGEXJNSCVLG-UHFFFAOYSA-N 233.355 2.829 30 20 BFED C=C(C)CSCc1nc(CCC)no1 121703494 MIRBHUPSRIKFHD-UHFFFAOYSA-N 212.318 2.831 30 20 BFED CSCC[C@H](C)Nc1ncccc1C#N 124762951 ILXZEOXCBLDMEQ-VIFPVBQESA-N 221.329 2.507 30 20 BFED CC(C)(CCC#N)CNCCC(F)(F)F 127155415 ZLWVTOOJKPMAIY-UHFFFAOYSA-N 222.254 2.858 30 20 BFED CC[C@]1(C)C[C@@H]1C(=O)N(CC#N)C1CCCC1 131430641 ZYMKTEVGWULVRM-TZMCWYRMSA-N 234.343 2.717 30 20 BFED C=CC[C@@H](C)Nc1ncnc2c1CCCC2 131602564 KVLASYPHULZDTH-SNVBAGLBSA-N 217.316 2.732 30 20 BFED C[C@@H]1C[C@@H](NCC(C)(C)CCC#N)CN1C1CC1 151055963 KRZWQKJSGMZQSC-CHWSQXEVSA-N 249.402 2.531 30 20 BFED N#CCC[C@@H](C#N)COc1ccc(F)cc1F 153576078 OOWAXVGKAHVZSR-VIFPVBQESA-N 236.221 2.787 30 20 BFED C=C[C@@H](C)NC(=O)/C=C/c1ccccc1F 153885812 AQKLCIUPENIQQF-AAXQSMANSA-N 219.259 2.530 30 20 BFED C#CCCCCNC(=O)N1CCC2(CCCC2)C1 154920611 JYAHMVFGMZCHFV-UHFFFAOYSA-N 248.370 2.766 30 20 BFED CC#CCN1CCC(OCCC(C)C)CC1 159303046 HORUAJCNBZWJCA-UHFFFAOYSA-N 223.360 2.537 30 20 BFED C=CCN(CC=C)Cc1cnc2ccccn12 160420191 ZZDQFHPBKIVNDE-UHFFFAOYSA-N 227.311 2.508 30 20 BFED CC(C)(C#N)CCn1cnc2c1CCCC2 160707614 YWGJZSMNPKXSLQ-UHFFFAOYSA-N 217.316 2.702 30 20 BFED Cc1cc(NCc2ccc(C#N)cc2)ccn1 160921094 HFIQGNBYZBPBNS-UHFFFAOYSA-N 223.279 2.874 30 20 BFED C=C(C)CNC(=O)C[C@H]1CCC[C@@H](C)C1 161177927 CNGYZBPSXDBGPN-NEPJUHHUSA-N 209.333 2.895 30 20 BFED C=CCCCn1ccnc1[C@H](C)OCC 161506156 OYQLTEHMWPACSZ-NSHDSACASA-N 208.305 2.947 30 20 BFED CC(C)(C#N)CNCc1ccccc1Cl 164696149 ULIRAFYENZYPHP-UHFFFAOYSA-N 222.719 2.979 30 20 BFED C=CCCNCc1ccc(OC)c(C)c1 168551781 IXTMHXDBUYNHTI-UHFFFAOYSA-N 205.301 2.669 30 20 BFED COCCN(CCCC(C)(C)C#N)CC(F)F 174846456 SQDCCWOBOWNJTO-UHFFFAOYSA-N 248.317 2.530 30 20 BFED C=CCCCC(=O)N1CCc2sccc2C1 175180407 CQTZFYXCRUQUPW-UHFFFAOYSA-N 235.352 2.989 30 20 BFED CS[C@H](C)C(=O)Nc1cccc(C#N)c1C 178625903 XJYSCVBPVGFDHL-SECBINFHSA-N 234.324 2.557 30 20 BFED C#CCCCNC(=O)c1cccc(C)c1Cl 179126446 DDWUTYZHSQOJBX-UHFFFAOYSA-N 235.714 2.792 30 20 BFED C=CCC[C@@H](NCC(=O)OCC)c1ccccc1 180035796 SZRCPXOHNCNDFJ-CQSZACIVSA-N 247.338 2.847 30 20 BFED C#CCC(C)(C)C(=O)N1CCC2(CCCC2)C1 185715773 BWPHCVCVNCZRNC-UHFFFAOYSA-N 233.355 2.829 30 20 BFED C#C[C@@H](C)NC(=O)C[C@@H](CC)c1ccccc1 186039603 XTWYXEHQJNKRGL-CHWSQXEVSA-N 229.323 2.708 30 20 BFED CCOC(C)(C)C/N=C/c1ccccc1O 186944497 HDAHDGKTNSVEFK-NTEUORMPSA-N 221.300 2.626 30 20 BFED CC[C@H](C#N)NC(=O)c1ccc(C2CCC2)cc1 190861666 KMRKPVVHBOAMGZ-CQSZACIVSA-N 242.322 2.986 30 20 BFED C#CCCCNCCSCc1ccccc1 193910782 KJFJWDYMGNRMEX-UHFFFAOYSA-N 233.380 2.923 30 20 BFED C=CCCCCCSc1nnc(C)[nH]1 195436357 WJSYPVQXHCUUCC-UHFFFAOYSA-N 211.334 2.952 30 20 BFED CO[C@@H]1CCC[C@H]1N[C@@H](C)c1cccc(C#N)c1 224437251 SPYUJXUQEIUQJM-NILFDRSVSA-N 244.338 2.776 30 20 BFED C[C@@H](CC#N)N(C)C(=O)[C@H]1CCCC1(C)C 228847060 WMSALANJVLFHHF-WDEREUQCSA-N 222.332 2.573 30 20 BFED C[C@H]1CC[C@@H](CNCc2ccc(C#N)o2)C1 230412086 KTMKVWNMHKCGJV-WDEREUQCSA-N 218.300 2.677 30 20 BFED N#Cc1ccc(Oc2ccnc(C#N)c2)c(F)c1 232342344 NGOCKNVWSBPCFH-UHFFFAOYSA-N 239.209 2.756 30 20 BFED C#C[C@H](CCC)NC(=O)c1ccc(F)c(C)c1 233358216 YQXTWGRYWWZHIE-GFCCVEGCSA-N 233.286 2.666 30 20 BFED C=C(C)COC(=O)/C=C\c1ccc(Cl)nc1 255621954 NGVTYALVDAFKOW-XQRVVYSFSA-N 237.686 2.868 30 20 BFED C[C@@H](Nc1snc(Cl)c1C#N)C1CC1 267198383 IUHZHFLKZHQXIR-RXMQYKEDSA-N 227.720 2.879 30 20 BFED C=CCN(CCc1ccco1)Cc1ncc(C)o1 272226531 DBGLBNTUPYIADV-UHFFFAOYSA-N 246.310 2.807 30 20 BFED C=C1CCN(C[C@H](O)CCc2ccccc2)CC1 273207207 MHEKWEIKBHCSJR-MRXNPFEDSA-N 245.366 2.632 30 20 BFED C#CCN(Cc1csc(CCC)n1)C1CC1 274114502 FUVUDAPUNWOPML-UHFFFAOYSA-N 234.368 2.693 30 20 BFED CC(C)(C#N)C(=O)Nc1nc(C2CCC2)cs1 277794724 VQAZKYUHXJLHHK-UHFFFAOYSA-N 249.339 2.899 30 20 BFED Fc1ccccc1CCON=C1CCC1 278106828 LSYSIQHYVYVNNP-UHFFFAOYSA-N 207.248 2.925 30 20 BFED C=C(C)CNCc1ncc(C(F)(F)F)s1 279459823 UHRBIYNEELZMLO-UHFFFAOYSA-N 236.262 2.828 30 20 BFED CC(C)(COCc1ccccc1)NCCCC#N 281461977 RFIOZFGZYXMFGC-UHFFFAOYSA-N 246.354 2.875 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccoc1CC 281557404 YCAOPVPQBBLGIE-SECBINFHSA-N 207.273 2.536 30 20 BFED C=C(C)Cn1c(C)nnc1N1CCCC(C)(C)C1 283017757 SOHCOTNHCKZFEX-UHFFFAOYSA-N 248.374 2.789 30 20 BFED CC1(C)CCN(CC#N)c2ccccc21 289033577 PAONFIHQBWZBLR-UHFFFAOYSA-N 200.285 2.698 30 20 BFED C#C[C@@H](C)NCc1ccc(OC)c(OCCC)c1 289609782 VQTNDWJQXOWMRO-GFCCVEGCSA-N 247.338 2.595 30 20 BFED N#Cc1ccc(N2CCC=C(F)C2)cc1[N+](=O)[O-] 290959268 OCVXNQHTRAPEEC-UHFFFAOYSA-N 247.229 2.530 30 20 BFED CSCC[C@@H](C)N(C)c1ccc(C#N)c(C)n1 291943054 MWKMAJZXXCVMHL-SNVBAGLBSA-N 249.383 2.840 30 20 BFED C=CCOCCOc1ccc(C#N)cc1Cl 292548759 BVRBYZSSGFMALV-UHFFFAOYSA-N 237.686 2.793 30 20 BFED Cc1cnccc1CN1CCCC(C)(C)[C@@H]1C#N 296625509 BLODHDDTIBHQBB-AWEZNQCLSA-N 243.354 2.904 30 20 BFED C[C@@H](CN(C)[C@H](C)CCC#N)c1nccs1 298836094 HOJCEWWEFSISAW-WDEREUQCSA-N 237.372 2.871 30 20 BFED Cc1noc(C)c1CN(C)c1ccc(C#N)cc1 301112719 ZNMUXLXGZCHXNV-UHFFFAOYSA-N 241.294 2.800 30 20 BFED C[C@@H](c1cccnc1)N(C)c1cccc(C#N)n1 301819589 FYYSKKRSWAKYRN-NSHDSACASA-N 238.294 2.546 30 20 BFED CCOC[C@@H](C)Nc1cc(C)cc(C#N)c1 308109004 SRRMTWBFGAQSHY-LLVKDONJSA-N 218.300 2.704 30 20 BFED Cc1cc(C#N)cc(NC(=S)NCC(C)C)c1 308145012 NLJBYVRWYJICIF-UHFFFAOYSA-N 247.367 2.809 30 20 BFED CCc1nc(C#N)cc(NC[C@H]2CCC[C@@H]2C)n1 308171134 RHCOKXVAXCYDNQ-WDEREUQCSA-N 244.342 2.759 30 20 BFED Cc1cc(N[C@H](C)[C@@H]2CCCCO2)cc(C#N)n1 308276704 HUVQTXAIKHVZAW-RISCZKNCSA-N 245.326 2.631 30 20 BFED CC#CCCN[C@H]1CS[C@@H](C(C)C)C1 308636079 CISVHIXRQDWEQG-VXGBXAGGSA-N 211.374 2.520 30 20 BFED CC[C@H](CC#N)NC/C=C\c1ccccc1 309077953 POUWYQSRHFWEQA-DEBLGDTFSA-N 214.312 2.982 30 20 BFED CCCCCCCn1cc(C#N)ccc1=O 309173982 BIAMDAKTHORBLX-UHFFFAOYSA-N 218.300 2.690 30 20 BFED C=C(C)CCNC(=O)N1CCc2ccccc2C1 335156812 GTNYOCDDOBKTPC-UHFFFAOYSA-N 244.338 2.721 30 20 BFED C=CC1CCN(C(=O)c2ncccc2CC)CC1 335665370 LQXGEHQUEFAEFR-UHFFFAOYSA-N 244.338 2.682 30 20 BFED Cc1cccc2cc(C(=O)N[C@H](C)C#N)sc12 335729071 FGWSPLADBRGBDA-SECBINFHSA-N 244.319 2.852 30 20 BFED C=CC(C)(C)C(=O)N1CCC[C@](C)(OC)CC1 336267678 IUSKZXPEJBWPJR-AWEZNQCLSA-N 239.359 2.616 30 20 BFED C=C(C)CCN1CCC2(CCOCC2)[C@H]1C 336625089 NMJARXQTUXRGSD-CYBMUJFWSA-N 223.360 2.844 30 20 BFED C[C@@H](Nc1cnccc1C#N)c1ccncc1F 337864808 NUPISVJUUPMNGT-SECBINFHSA-N 242.257 2.660 30 20 BFED C=C1CCN(C/C=C\CN2CCC(=C)CC2)CC1 340154886 SYUNMZAUIDLLSP-ARJAWSKDSA-N 246.398 2.847 30 20 BFED CC(C)(CCC#N)CNC(=O)C1=CCCC1 345773348 OPNIPRBPVAZLST-UHFFFAOYSA-N 220.316 2.543 30 20 BFED C=C(CC)CN[C@@H]1CCC[C@@H]1OC(F)F 348149500 JQYGDTDFKSBXBM-ZJUUUORDSA-N 219.275 2.703 30 20 BFED Cc1ccc([N+](=O)[O-])cc1OCC1(C#N)CC1 349163306 YUSVNBSPWOHPGR-UHFFFAOYSA-N 232.239 2.586 30 20 BFED C[C@@H]1C[C@H]1CC(=O)Nc1ccc(CC#N)cc1 352167679 NJAHAXGCMAQZHQ-PWSUYJOCSA-N 228.295 2.737 30 20 BFED C=CCC(C)(C)CNC(=O)[C@H](C)C(F)(F)F 352468904 ARRBFQPTCRQFSX-QMMMGPOBSA-N 237.265 2.903 30 20 BFED CCN(CC#N)Cc1csc(C(C)C)n1 352657014 DNQCRXLYSURYLQ-UHFFFAOYSA-N 223.345 2.612 30 20 BFED C=C(C)CN(C)C(=O)Nc1cc(C2CC2)ccn1 353923184 SDOTYLFYSNYJPW-UHFFFAOYSA-N 245.326 2.999 30 20 BFED C=CCOCC(=O)N(CCCC)[C@H](C)CC 356638972 AVAYUOXZXKDWEZ-GFCCVEGCSA-N 227.348 2.616 30 20 BFED CC1CCC(CC(=O)N(C)[C@H](C)CC#N)CC1 359961022 UPDXISWKVLTPII-OTTFEQOBSA-N 236.359 2.963 30 20 BFED C=CCCC[C@H](C)NC(=O)[C@H](C)[C@@H](C)COC 360780434 KHTDZTJPSBYFSA-RWMBFGLXSA-N 241.375 2.766 30 20 BFED C=C[C@H](C)NC(=O)NCc1ccccc1CC 362379849 MSZRXXICDLNOKH-NSHDSACASA-N 232.327 2.623 30 20 BFED N#CCC[C@@H](C#N)CN1CCC(C2CC2)CC1 368335421 IDNGLBDXPDUHGW-LBPRGKRZSA-N 231.343 2.552 30 20 BFED C[C@@H](F)CCN1C[C@@H](C#N)[C@H](c2ccccc2)C1 368350771 YKRHIGKQANBJGL-YUELXQCFSA-N 246.329 2.974 30 20 BFED C=CCSCCN[C@H]1CCC[C@H]2C[C@H]21 378682437 XXEJMQIUBWHSFH-TUAOUCFPSA-N 211.374 2.684 30 20 BFED C#C[C@H](N[C@@H](C)CCCCC)[C@@H]1CCCO1 381378014 KJCZVOXTUKMACL-IHRRRGAJSA-N 223.360 2.726 30 20 BFED C#C[C@H](CCC)NC(=O)[C@@H]1C[C@H]1CC(C)C 387643883 BPBHDKPPWVNQCO-JHJVBQTASA-N 221.344 2.587 30 20 BFED C=C(Cl)COC(=O)/C=C(\C)C1CC1 388721017 SLLQXVBGXHVKNQ-FNORWQNLSA-N 200.665 2.638 30 20 BFED C=CCCN[C@@H](c1ccccn1)C(C)C 393604323 IMPMRYQKUBAAHM-CYBMUJFWSA-N 204.317 2.944 30 20 BFED C=CC[C@H](CC)NC1CCC(C(=O)O)CC1 393737975 BQGPEAOVWGYMIM-CXQJBGSLSA-N 225.332 2.574 30 20 BFED CC[C@H]1CN(CCC(C)(C)C#N)C[C@@H](CC)O1 398453596 IGSHIWFOSLLCQT-BETUJISGSA-N 238.375 2.816 30 20 BFED N#Cc1cncc(Oc2ccc(Cl)cc2F)n1 401399195 RBKLKMQERMPTGP-UHFFFAOYSA-N 249.632 2.933 30 20 BFED C[C@H](CCC#N)N1CCCN(C2CCCC2)CC1 411282170 BNAZQNKLTULZHI-CQSZACIVSA-N 249.402 2.629 30 20 BFED C=C[C@H](CCC(=O)O)NC[C@@H]1CCCC[C@H]1C 417627410 PGCYLYZYJASULX-FRRDWIJNSA-N 239.359 2.822 30 20 BFED N#CCCCCSCC[C@H]1CCOC1 419546044 XVUQJHQZPJMDIX-LLVKDONJSA-N 213.346 2.840 30 20 BFED CC[C@H]1CN([C@H](C)CCC#N)C[C@@H](CC)O1 420963966 WFIRHAGOLKWTNK-UPJWGTAASA-N 224.348 2.568 30 20 BFED C=CC[C@H](C)[C@@H](C)NC[C@]1(C)CCCNC1 423337945 UNUPZAUQXUMOOC-BFHYXJOUSA-N 224.392 2.566 30 20 BFED C=C(C)C(C)(C)c1nc(Cc2cscn2)no1 424336628 JQRZBHZNPASPBD-UHFFFAOYSA-N 249.339 2.971 30 20 BFED C=CCN(CCC#N)CCOc1ccccc1F 428841665 QPZZDOMFUDMNQC-UHFFFAOYSA-N 248.301 2.606 30 20 BFED CC(=O)[C@@H](C)SCc1ccc(F)cc1C#N 434793723 ISUHKQYURPWCEA-SECBINFHSA-N 237.299 2.908 30 20 BFED CC[C@@H](C#N)Nc1cccc2c1OCC[C@@H]2OC 448110598 SSDGMFGNDSQGJX-GWCFXTLKSA-N 246.310 2.871 30 20 BFED C[C@H]1C[C@@]1(C#N)C(=O)NCCCC1CCCC1 448648669 MQKLAMLRODOOKI-FZMZJTMJSA-N 234.343 2.623 30 20 BFED CC[C@@H]1CCC[C@H](NC(=O)[C@@]2(C#N)C[C@H]2C)C1 449922019 LHPYVUSBTQXEFC-NRWUCQMLSA-N 234.343 2.621 30 20 BFED C=CCCN(C)C(=O)c1scnc1C(C)C 451060225 IVBAIVPKRRGOKT-UHFFFAOYSA-N 238.356 2.915 30 20 BFED C=C[C@@H]1OCC[C@H]1NCCCc1cccc(C)c1 451610668 TYQBHLGNOIRXLO-CVEARBPZSA-N 245.366 2.861 30 20 BFED C=C(CC)CNC(=O)N[C@H](C)CC(F)(F)F 454796327 MTDLSNKRISWAIJ-MRVPVSSYSA-N 238.253 2.593 30 20 BFED CCOc1ccc(CN2CC(C)(C#N)C2)cc1F 459596589 SMXYSWDTNMSTNQ-UHFFFAOYSA-N 248.301 2.570 30 20 BFED C=CCCCCNC(=O)NCCCCC=C 472131842 DLZLXDJSMCBSOM-UHFFFAOYSA-N 224.348 2.998 30 20 BFED C#C[C@@H](CCC)NC(=O)/C(C)=C(/C)CC 491242642 REWSJVXUMJNZAY-WEHUKYGOSA-N 207.317 2.651 30 20 BFED C#C[C@H](C)N(C)C(=O)N[C@H]1CCCCC1(C)C 491724752 CGGHJLVZRCBSEE-RYUDHWBXSA-N 236.359 2.618 30 20 BFED CC(C)(C)[C@H](C#N)NC(=O)/C=C\C1CCCC1 493544384 BMYYVSGMNVICIK-LAUAKBEESA-N 234.343 2.787 30 20 BFED CC#CCCCC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1 509416325 NGIOLMNBPUJTKL-AJNGGQMLSA-N 245.366 2.685 30 20 BFED C=CC(C)(C)CCN[C@@H]1CCN(C)C[C@H]1C 527927055 QYVMUGHDMGGTQL-CHWSQXEVSA-N 224.392 2.519 30 20 BFED C=CCOc1cccc(CNc2cnn(C)c2)c1 539504461 LSFVZKIFDUGERB-UHFFFAOYSA-N 243.310 2.597 30 20 BFED C=CC[C@@H](CC)NC(=O)NC(C)(C)C1CC1 545243299 GGMQDMSGMUDCCX-LLVKDONJSA-N 224.348 2.829 30 20 BFED CC1(C)C[C@]1(C#N)NC(=O)[C@@H]1CC2CCC1CC2 561328733 WDSHPSYKBDBRIE-WKQXJPDBSA-N 246.354 2.621 30 20 BFED CC1(C#N)CN(CCC2(C#N)CCCCC2)C1 565159945 ATXHHJJCFICWQR-UHFFFAOYSA-N 231.343 2.696 30 20 BFED N#Cc1cc(N[C@H]2C[C@H]2C2CCCCC2)ncn1 573278680 MGCURKTXFORHMP-STQMWFEESA-N 242.326 2.729 30 20 BFED N#Cc1ccc(NCCOCC2CCC2)cc1 573892821 NYSHGKZVIMDFQV-UHFFFAOYSA-N 230.311 2.787 30 20 BFED CC1(C)CC[C@H]1NCC#CCN[C@@H]1CCC1(C)C 575427015 GYXBDABRQCFSTN-ZIAGYGMSSA-N 248.414 2.546 30 20 BFED C=C1CCN(Cc2ccc(OC)cc2F)CC1 577115047 MDPKJEFIHNRIJZ-UHFFFAOYSA-N 235.302 2.986 30 20 BFED C[C@@H]1CCC[C@@H](C)C1NC[C@H](C#N)CCC#N 579929001 KNWWYEYZPFAXTL-UPJWGTAASA-N 233.359 2.844 30 20 BFED CC[C@@H](C#N)C(=O)N1CCc2ccc(Cl)cc21 593436109 DMODEXQDONXEGM-VIFPVBQESA-N 248.713 2.779 30 20 BFED CC[C@@H](C#N)C(=O)NC1CCC(C(C)C)CC1 593532861 VAQZJJBBMAAGDD-HIFPTAJRSA-N 236.359 2.867 30 20 BFED N#Cc1ccc(CCN2[C@H]3C=CC[C@H]2CC3)cc1 595399243 XVFCAPJJVRXYEV-HOTGVXAUSA-N 238.334 2.894 30 20 BFED Cc1ccc(CN(C2CC2)[C@@H](C)C#N)cc1 595713386 HTVWMVWASMBDET-LBPRGKRZSA-N 214.312 2.872 30 20 BFED CC1(C)C[C@]1(CNCCC#N)c1ccccc1 596069976 LWPNKFDCJZQWJJ-HNNXBMFYSA-N 228.339 2.858 30 20 BFED CC(C)[C@@H]1CCC[C@@H](Nc2c(C#N)cnn2C)C1 596106741 GYFJLNUMEPLRRV-DGCLKSJQSA-N 246.358 2.918 30 20 BFED C[C@@H]1CCC[C@@](C#N)(NC(=O)C2CC3(CC3)C2)C1 597257395 FMGQGSRGSULWEZ-IAQYHMDHSA-N 246.354 2.765 30 20 BFED Cc1csc(NC(=O)CCCF)c1C#N 598836226 CVEYALLZZUYGHS-UHFFFAOYSA-N 226.276 2.616 30 20 BFED CCC[C@@H](CNCc1ccc(C#N)cc1)OCC 598989492 IYISDKXOOPWDOQ-HNNXBMFYSA-N 246.354 2.853 30 20 BFED CCc1ccc(F)cc1C(=O)N(C)[C@H](C#N)CC 602356392 ZATKNUNQXQQLPI-LBPRGKRZSA-N 248.301 2.762 30 20 BFED CN(Cc1cccc(C#N)n1)C1CCCCC1 602429652 RPSOYWGVEROETO-UHFFFAOYSA-N 229.327 2.718 30 20 BFED C[C@@H]1CCN(Cc2cccc(C#N)n2)CC1(C)C 602614048 BKCJSSCSMYEAST-GFCCVEGCSA-N 243.354 2.821 30 20 BFED C[C@@H](CCC#N)CN1CCO[C@@H](C(C)(C)C)C1 602645214 WROAMOYPRADRRQ-QWHCGFSZSA-N 238.375 2.673 30 20 BFED Cc1ccncc1[C@@H](C)Nc1ncccc1C#N 611299229 XKEAXEGUPSPPLE-LLVKDONJSA-N 238.294 2.830 30 20 BFED CC[C@H](CC(=O)N1CC[C@](F)(C#N)C1)C(C)C 615580755 BJHQNJOVJLDWPS-YPMHNXCESA-N 240.322 2.523 30 20 BFED C=CCCNC(=O)C1(c2cccnc2)CCCC1 617618530 SVWHSRNBLJTPLU-UHFFFAOYSA-N 244.338 2.586 30 20 BFED C=CC[C@H]1CCCN(Cc2nccnc2C)C1 621731809 AJLNSWBQZTZEDE-ZDUSSCGKSA-N 231.343 2.573 30 20 BFED C=CCN(C(=O)CC[C@@H]1CCOC1)C(C)(C)C 622944266 LEHXABKHEDWKFN-GFCCVEGCSA-N 239.359 2.616 30 20 BFED C=CCN(C(=O)c1cncc(C)c1)C(C)(C)C 622944540 WMNDNAFFNZMNIO-UHFFFAOYSA-N 232.327 2.817 30 20 BFED C=C[C@H]1CCCCN1Cc1nc(C)c(C)[nH]1 628254047 JXGSDMMBJSTEGN-LBPRGKRZSA-N 219.332 2.567 30 20 BFED C=C[C@@H]1OCCC[C@H]1NC(=O)C1CCC=CCC1 635996142 BDUSYTHQISIMHD-KGLIPLIRSA-N 249.354 2.583 30 20 BFED C=CCCOCC(=O)N[C@H](CCC)C(C)(C)C 650863689 KTTKVZJJENKSRV-GFCCVEGCSA-N 241.375 2.910 30 20 BFED C=C(C)CN(C)c1nc(C2CC2)nc(C)c1OC 656153382 QISKTDBWOIAKJU-UHFFFAOYSA-N 247.342 2.683 30 20 BFED C=CC[C@@H]1CCCN(CCOCC2CC2)C1 661379287 ATOKDFSSJDQYRJ-CYBMUJFWSA-N 223.360 2.701 30 20 BFED COCC#CCOc1cccc2nc(C)ccc12 680532602 WVEDFFJDDMBYOC-UHFFFAOYSA-N 241.290 2.572 30 20 BFED C=CC[C@H](C)NC(=O)Nc1cccc(OCC)n1 680920239 QRCNEHJSGBTEDT-JTQLQIEISA-N 249.314 2.566 30 20 BFED C#CCCCCC(=O)NCC1(SCC)CC1 691802695 FDBVZONEZYSAQL-UHFFFAOYSA-N 239.384 2.582 30 20 BFED C[C@@H](CC(C)(C)C#N)NCC1(C)CCOCC1 695836551 NHKVPQXXOIWDOL-LBPRGKRZSA-N 238.375 2.721 30 20 BFED CO[C@@H](C)CC/N=C\c1cc(Cl)ccc1O 726428769 FATWXYGXZDBRQO-JNNKLVPLSA-N 241.718 2.890 30 20 BFED C#CCOc1ccc(C=NNC(CC)CC)cc1 734365205 TWTLQJTUYMJWMJ-UHFFFAOYSA-N 244.338 2.811 30 20 BFED C=CCOC(=O)C[C@@H]1CCc2ccccc21 734628721 YVCKDDWFDZQNGH-LBPRGKRZSA-N 216.280 2.836 30 20 BFED CC1(C)C(=NNC2CCCC2)[C@H]2CCCO[C@H]21 743439206 VUTWGPZSVPWCAJ-DGCLKSJQSA-N 236.359 2.710 30 20 BFED C=CCCCOC(=O)[C@@H](C)C(F)(F)F 745617745 UBOGZWCVTVGXDU-SSDOTTSWSA-N 210.195 2.694 30 20 BFED CC[C@@H](C)Oc1ccc(C(=O)OCC#N)cc1 750523632 QLROWGVFRCUJGH-SNVBAGLBSA-N 233.267 2.544 30 20 BFED Cc1nn(C)cc1C=NNc1ccccc1Cl 755470598 BVXOMFZOSLDAHO-UHFFFAOYSA-N 248.717 2.828 30 20 BFED C1=CC[C@@H](C=NO[C@@H]2CCCCO2)CC1 755814195 LONLRIPOZOTEQK-VXGBXAGGSA-N 209.289 2.872 30 20 BFED C=C[C@H](C)NC(=O)[C@@H](C)Cc1ccc(F)cc1 757003380 COQXCIUELFELMU-QWRGUYRKSA-N 235.302 2.695 30 20 BFED C=C(C)CNC(=S)NCC1(C)CCCCC1 757534587 NJRXFTGZGIOGFP-UHFFFAOYSA-N 240.416 2.997 30 20 BFED C#CCCCCNC(=O)N(CCC)CC(C)C 758880613 ZOXQXCJEDTZCCA-UHFFFAOYSA-N 238.375 2.868 30 20 BFED CCOc1ccc(/C=N\C2CC=CC2)c(O)c1 759641638 DGVUDJGYYGZERP-GDNBJRDFSA-N 231.295 2.928 30 20 BFED CCCC1(C(=O)Nc2cc(C#N)ccc2O)CC1 759718492 YKTFMMDYZPIRFN-UHFFFAOYSA-N 244.294 2.783 30 20 BFED C=CCCC(=O)COC(=O)CC(C)(C)C 761360963 NHKBJLQIZHNHRK-UHFFFAOYSA-N 212.289 2.501 30 20 BFED C#CCCc1noc(-c2cc(C)cc(F)c2)n1 762017544 HCSPXWXDJWFLGS-UHFFFAOYSA-N 230.242 2.750 30 20 BFED COc1nccnc1NN=C(C)CC1CCCC1 763425092 IIKZCFRIZUQBSQ-UHFFFAOYSA-N 248.330 2.853 30 20 BFED C#CCN(CC[C@H]1CCCN1C)C1CCCCC1 767351302 ZXXOZLCLAHGSRL-OAHLLOKOSA-N 248.414 2.739 30 20 BFED C#CCCN(Cc1ccc(C)o1)CC(F)(F)F 768533691 JLFGRFOGMXTKEF-UHFFFAOYSA-N 245.244 2.976 30 20 BFED C=CCCC(=O)OCC#Cc1ccc(F)cc1 771352313 ZHWGDWZVTRJPHR-UHFFFAOYSA-N 232.254 2.687 30 20 BFED Cc1nc(C=NOC2CCCC2)c2ccccn12 774601414 CWBWBEZMEPGAOH-UHFFFAOYSA-N 243.310 2.936 30 20 BFED CON=Cc1cccc(C)c1OC(F)F 777882414 UKPYHOOSJSSMOS-UHFFFAOYSA-N 215.199 2.577 30 20 BFED C=CCS(=O)(=O)[C@@H](C)c1cccc(C)c1 779367495 SQGNOMOEJSFMQG-NSHDSACASA-N 224.325 2.657 30 20 BFED C#CCCCCCC(=O)N1CCC(C)CC1 779862791 HKLNETUDYSMCGC-UHFFFAOYSA-N 221.344 2.829 30 20 BFED CC/C(C)=C(/C)C(=O)N(C)C1(C#N)CCC1 780910040 WUXIBNLFOOMJQD-KHPPLWFESA-N 220.316 2.637 30 20 BFED Cc1cc(COC(=O)[C@H]2C[C@@H]2C)ccc1C#N 782030471 HGWRXHKAOVSOMG-GWCFXTLKSA-N 229.279 2.566 30 20 BFED CC(C)[C@@H](F)C(=O)O[C@@H](C#N)C1CCCCC1 784299521 QYTUNJJRRLIVPN-NWDGAFQWSA-N 241.306 2.996 30 20 BFED CC(C)C[C@@H]1CCCC(=Nn2cnnc2)C1 794447589 IDBUVHISKXPOOH-NSHDSACASA-N 220.320 2.719 30 20 BFED C#C[C@H](Nc1ccnc(C(C)(C)C)n1)C(C)C 798409180 SIRNFVCUYFGXMZ-NSHDSACASA-N 231.343 2.844 30 20 BFED C=CC[C@H](CC)NC(=O)c1cc2occc2[nH]1 799033661 BQKZRMVYFYDIJW-VIFPVBQESA-N 232.283 2.845 30 20 BFED CCOCCC=NOCc1ccccc1OC 799118087 SJHHSBARHAPVKU-UHFFFAOYSA-N 237.299 2.624 30 20 BFED C#CCCCCC(=O)OC[C@@H](F)C(F)(F)F 800193983 YQDOXZAQPBIHFG-MRVPVSSYSA-N 240.196 2.624 30 20 BFED CC#CC(=O)Nc1nc(CC(C)(C)C)cs1 801182597 BHXROWYTVIPANX-UHFFFAOYSA-N 236.340 2.694 30 20 BFED CC[C@H](C)[C@H]1CCCCN1CCO[C@@H](C)C#N 801922900 SAIFOTKCZTYFQS-MELADBBJSA-N 238.375 2.816 30 20 BFED Cc1ccc(C(=O)OCCCCF)cc1C#N 803518034 GKDSXASWFFVHHS-UHFFFAOYSA-N 235.258 2.773 30 20 BFED Cc1oc(C(C)C)cc1C(=O)O[C@H](C)C#N 803717021 LOJCEVFEDQOBOG-MRVPVSSYSA-N 221.256 2.780 30 20 BFED CC[C@@H]1CC[C@H]1NCc1ccc(OCC#N)cc1 806145094 CJHFWURXERBQDN-UKRRQHHQSA-N 244.338 2.867 30 20 BFED CCC(C)=NNc1nccnc1C1CCC1 807992577 LXPKLRSVODVZLX-UHFFFAOYSA-N 218.304 2.942 30 20 BFED C#CCCc1noc(-c2ccc(C(C)C)cn2)n1 810290256 QGKKYIXHARVDAU-UHFFFAOYSA-N 241.294 2.821 30 20 BFED CC(=NOCCOC(C)C)c1csc(C)n1 812238172 UFHQYSKEWGYLAK-UHFFFAOYSA-N 242.344 2.617 30 20 BFED C=CCNN=Cc1ncc(C(C)(C)C)s1 814927905 MKLAUGSRSPWYSB-UHFFFAOYSA-N 223.345 2.550 30 20 BFED C(=NOCC1CC1)c1ccc2oncc2c1 814940853 CEMOSRREQKTSDH-UHFFFAOYSA-N 216.240 2.588 30 20 BFED CCOc1ccc(NN=Cc2cccnc2)cc1 814983342 JRTAMJOXJLEBBK-UHFFFAOYSA-N 241.294 2.926 30 20 BFED C=CCC(F)(F)C(=O)N[C@H](C)Cc1ccco1 814985942 YZEPTZLTYUMPOM-SECBINFHSA-N 243.253 2.538 30 20 BFED C=CC(C)(C)C(=O)O[C@H]1CCC[C@@H](OC)C1 835099641 LANSJZUHXHOCBM-MNOVXSKESA-N 226.316 2.699 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](C)[C@@H](C)CCC 835324719 SCHSKDMALZVUPE-LOWDOPEQSA-N 240.343 2.945 30 20 BFED C#CCC1(OC(=O)C(CC)CC)CCC1 835367109 SFUVZLITUONECS-UHFFFAOYSA-N 208.301 2.912 30 20 BFED C=C(CC)CNC(=O)C=C1CCCCC1 837101028 MURFQCBWJDDFIC-UHFFFAOYSA-N 207.317 2.959 30 20 BFED C=CC(C)(C)C(=O)OCc1cc(C)ccn1 837862125 MERBVRYQCDAGKK-UHFFFAOYSA-N 219.284 2.645 30 20 BFED C#CCC[C@H](C)OC(=O)CCC(F)(F)F 839038277 GLNXNVUIACTVEU-QMMMGPOBSA-N 222.206 2.674 30 20 BFED CC1(C)CC(=NNc2c(F)cccc2F)CO1 841624857 CNYTTYWBERAGQW-UHFFFAOYSA-N 240.253 2.932 30 20 BFED CC[C@@H]1C[C@H](C)CCC1=NN(C)[C@@H](C)CO 842542703 UGWLYKHCGDUWIY-GRYCIOLGSA-N 226.364 2.501 30 20 BFED C=C(C)c1cccc([C@H](O)C(F)(F)F)n1 844234281 FKUPGCHYEPHCMQ-VIFPVBQESA-N 217.190 2.710 30 20 BFED C=C[C@H](C)ONC(=O)NCC1(C)CCCCC1 845618014 HFBXBSMYOLKIJF-NSHDSACASA-N 240.347 2.762 30 20 BFED C=C[C@H](C)ONC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C 845631347 BZCJFUWBTSFHFI-WHOHXGKFSA-N 240.347 2.616 30 20 BFED C#CCCCCC(=O)OCc1cc(C2CC2)n[nH]1 848012827 RGQBDQRTTONMFT-UHFFFAOYSA-N 246.310 2.524 30 20 BFED COC[C@H](C)NN=Cc1ccccc1C(C)C 848408123 FSQLPUCJSONQKP-LBPRGKRZSA-N 234.343 2.768 30 20 BFED C[C@H](C#N)Sc1ncc(Cl)s1 849997702 CQVLQIHJCZKBNN-SCSAIBSYSA-N 204.707 2.801 30 20 BFED C#CCOCCN1CCC(c2ccccc2)CC1 851715782 BOXCKCSIJMAGKP-UHFFFAOYSA-N 243.350 2.516 30 20 BFED C[C@@H]1CCCCN1N=Cc1c(C2CC2)cnn1C 853383065 CQSQACUNYTXUQL-LLVKDONJSA-N 246.358 2.506 30 20 BFED C=CCC1(NC(=O)NO[C@@H](C)C=C)CCCC1 854220525 VJQPEGFFGJXKKP-NSHDSACASA-N 238.331 2.681 30 20 BFED CC(C)C#CC(=O)N1CC[C@H]1c1ccc(F)cc1 855565066 CMPGZMFTLJNVTD-AWEZNQCLSA-N 245.297 2.759 30 20 BFED C=CCCONC(=O)C1(CC=C)CCCC1 856027406 KYTCUCRIKVQESY-UHFFFAOYSA-N 223.316 2.747 30 20 BFED C=CCCONC(=O)c1ccc2c(c1)CCC=C2 856033832 SJTGGIIDGJSQEB-UHFFFAOYSA-N 243.306 2.884 30 20 BFED C#C[C@](C)(CC)NCc1cc(O)ccc1Cl 859319227 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C=CCCCC(=O)Nc1ccnn1CCCC 175497153 YFYRBHDJWRFXIB-UHFFFAOYSA-N 235.331 2.978 30 20 BFED C=CCCCCCN(C)Cc1cncn1C 177123928 JBNXXSKGYXZEKC-UHFFFAOYSA-N 221.348 2.598 30 20 BFED Cc1c(C#N)cccc1NC(=O)C1CC=CC1 178389791 PDXHUOIYCAVCBL-UHFFFAOYSA-N 226.279 2.771 30 20 BFED CC#CCNc1cccc(-c2ccnc(C)n2)c1 182301416 QEHJWVUFOKWSSY-UHFFFAOYSA-N 237.306 2.887 30 20 BFED C#CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)CC 185485628 CLDMNVZMVQQRCT-WDEREUQCSA-N 209.333 2.587 30 20 BFED N#C[C@H]1CCC[C@H](NCc2ccccc2)C1 185710265 UAQGGQYXEXZILK-KBPBESRZSA-N 214.312 2.859 30 20 BFED C=CCNC(C)(C)c1nc2ccccc2n1C 186562450 SCHGQOIOPVYJJV-UHFFFAOYSA-N 229.327 2.584 30 20 BFED C=C(C)[C@H](NCC#N)c1ccc(F)c(F)c1 187775713 CWVYYWFQEUYDEA-LBPRGKRZSA-N 222.238 2.695 30 20 BFED C=C[C@@](C)(CCOC)C(=O)N[C@@H](CC)CCC 188405345 JVAUAOCNIBBKSI-JSGCOSHPSA-N 241.375 2.910 30 20 BFED C=C[C@@](C)(CC)C(=O)NC[C@@H](O)CC(C)(C)C 188518196 JULRKXIAYSAHJL-FZMZJTMJSA-N 241.375 2.502 30 20 BFED C=CCN(CCOC)Cc1ccc(F)cc1F 195000047 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30 20 BFED C=C(C)CCNC(=O)N(C)Cc1cccs1 455304816 DDIGBZNWZHVNJM-UHFFFAOYSA-N 238.356 2.856 30 20 BFED C=C[C@H](C)NC(=O)c1ccc(C)nc1C1CC1 455954714 SWCSGINHIYEZCI-VIFPVBQESA-N 230.311 2.572 30 20 BFED C=CCC1(NC(=O)CCC(C)=O)CCCCC1 456390815 ZGBGDDBUADQSNE-UHFFFAOYSA-N 237.343 2.751 30 20 BFED CCC[C@H](NC(=O)NCCCC#N)C1CCC1 458653473 NYZHYYZADYEDQG-LBPRGKRZSA-N 237.347 2.558 30 20 BFED C=CC(C)(C)CNC(=O)N1CCC(C)=C(C)C1 458991586 UHOXRDNQCCOXIN-UHFFFAOYSA-N 236.359 2.950 30 20 BFED C#CCN(C(=O)[C@@H]1C[C@@H]1C1CC1)C1CCCCC1 490778834 MITLFOOJXOPWIU-HUUCEWRRSA-N 245.366 2.827 30 20 BFED C#C[C@@H](CCC)NC(=O)C1=CC[C@@H](C)CC1 491373054 LTOOKWATAIWMNX-YPMHNXCESA-N 219.328 2.651 30 20 BFED C#C[C@H](NC(=O)C1CC(C)(C)C1)C(C)(C)C 491762236 ZTNFVCLURPCESC-NSHDSACASA-N 221.344 2.587 30 20 BFED C#C[C@H](C)N(C)Cc1nc2ccc(F)cc2s1 491792864 HUDKSHRKWPSGHY-VIFPVBQESA-N 248.326 2.889 30 20 BFED C/C=C(/C=C\C(=O)NCC1(C#N)CCC1)CC 493698883 VCYNXTUAVJWGIK-UWONXNGWSA-N 232.327 2.709 30 20 BFED 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2.602 30 20 BFED CC(C)CC1(C/N=C(\N)Nc2ccccn2)CC1 177008072 NJGJGKAOTDTSJF-UHFFFAOYSA-N 246.358 2.635 30 20 BFED Cc1ccc(C)c(NC(=O)c2cc(C#N)c[nH]2)c1 177452974 AEJVZMWGWYJKGW-UHFFFAOYSA-N 239.278 2.756 30 20 BFED CS[C@@H](C)CC(=O)Nc1cccc(C#N)c1C 179460529 SGQRZZDNIJGSHM-VIFPVBQESA-N 248.351 2.947 30 20 BFED C#CCCCCC(=O)Nc1cc(CO)ccc1C 180415845 HBZJOAZLOLRSNB-UHFFFAOYSA-N 245.322 2.619 30 20 BFED C=C(C)CN(C)C(=O)[C@H](C)c1ccccc1F 180422374 XHWQFNUJEVQXBF-LLVKDONJSA-N 235.302 2.964 30 20 BFED C#CCCCCC(=O)[C@H](C#N)c1nc(C)cs1 180731435 QMWFXKLSFXTBFB-NSHDSACASA-N 246.335 2.821 30 20 BFED C=C(Cl)CN1CCC[C@@H]1c1cccn1C 181078888 PCOPHSDUFLLWAS-GFCCVEGCSA-N 224.735 2.915 30 20 BFED C#CCOc1ccccc1NC(=O)[C@@H](C)C(C)C 187221160 JSDJXBNFVWLNDH-LBPRGKRZSA-N 245.322 2.929 30 20 BFED CCC(C)(C)N(CCC#N)C(=O)c1ncoc1C 189948151 BKXUAXRKCQMSFU-UHFFFAOYSA-N 249.314 2.528 30 20 BFED C#CCCCC(=O)N1CCCC[C@H]1CCC 190661341 GYYMCZRBXGNXJB-CYBMUJFWSA-N 221.344 2.971 30 20 BFED C=CCOC(=O)c1ccc(Cl)s1 194256425 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237.306 2.916 30 20 BFED CC1(C)CC[C@H]1/N=C(\N)NC1CCCCCC1 263149864 LPHNUHNGARWBCP-GFCCVEGCSA-N 237.391 2.802 30 20 BFED CC[C@@H](C)N/C(N)=N/Cc1ccc(C)cc1C 264076313 FSUQHZIWYUPRKY-GFCCVEGCSA-N 233.359 2.506 30 20 BFED C=CCOc1ccc(OC(=O)CC2CC2)cc1 266288850 FAPSUIWQKQFOGK-UHFFFAOYSA-N 232.279 2.957 30 20 BFED C=C(C)[C@H](CC(=O)Nc1cc(C)ccn1)OCC 270000106 AVUURUWFDFREID-LBPRGKRZSA-N 248.326 2.700 30 20 BFED C[C@@H]1CCN(c2ncccc2C#N)CC12CCC2 271276432 BOSASQVEUDIPRR-GFCCVEGCSA-N 241.338 2.970 30 20 BFED C#CCCCCNc1cc(C(C)=O)ccc1C#N 273210233 GLYSCDFNLPKTEK-UHFFFAOYSA-N 240.306 2.976 30 20 BFED C=CCCCc1nc(-c2cc(C)ccn2)no1 273908648 XQFQLSYVJIGLFH-UHFFFAOYSA-N 229.283 2.949 30 20 BFED C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)c(C#N)c1 284681832 ODSXQEJWXJCQLH-RNCFNFMXSA-N 246.285 2.616 30 20 BFED CC(=O)c1cc([N+](=O)[O-])ccc1NCCCC#N 286947305 RMAOLQSJHUYFSR-UHFFFAOYSA-N 247.254 2.513 30 20 BFED C=C[C@@H](CO)N[C@H](C)c1cccc(Cl)c1 289716927 JJBUDFRQAOWZDR-SKDRFNHKSA-N 225.719 2.538 30 20 BFED 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229.279 2.576 30 20 BFED CCC1(C(=O)O[C@H]2CCC[C@H](C#N)C2)CC1 839055720 RKVQUGDUXXALCY-QWRGUYRKSA-N 221.300 2.802 30 20 BFED C#CCCCNC(=O)NC[C@@H]1CCC[C@@H]1C1CC1 840310065 HEGYKFLNMYQGKJ-UONOGXRCSA-N 248.370 2.525 30 20 BFED CCCC(=NNC[C@@H](O)CC)[C@H]1CC1(C)C 841639788 VHOBJCZALPFNQB-WDEREUQCSA-N 226.364 2.549 30 20 BFED CCC(=NN[C@@H]1CCOC1(C)C)[C@H]1CC1(C)C 841641867 XNSTYWUZDMDKQP-ZYHUDNBSSA-N 238.375 2.956 30 20 BFED CO[C@@H](CC(C)C)CN(CCC#N)CC(C)C 842150229 PBTQYNMIOQLGIR-AWEZNQCLSA-N 240.391 2.919 30 20 BFED CCCON=C(C)c1ccc(C#N)cc1 842566147 VDMQNNPVEBHTFU-UHFFFAOYSA-N 202.257 2.709 30 20 BFED C=C[C@H](C)ON=Cc1ccc(N(C)C)c(F)c1 844624676 MPPUDVRPDZUTKH-JTQLQIEISA-N 236.290 2.817 30 20 BFED C=C[C@@H](C)ONC(=O)N1C[C@H](C)c2ccccc21 845620522 UGSYFDLBPWGBRG-WDEREUQCSA-N 246.310 2.826 30 20 BFED C=C(C)CONC(=O)c1csc(C(C)C)n1 846540017 RXWNHJRCLHZRRK-UHFFFAOYSA-N 240.328 2.504 30 20 BFED C=C[C@H](C)ONC(=O)[C@H](C)CC1CCCC1 846546674 XLELFWKNDSBWDR-MNOVXSKESA-N 225.332 2.825 30 20 BFED C=CCCOCC(=O)OCCc1cccc(C)c1 847742373 ARLOLJLWTHRPHZ-UHFFFAOYSA-N 248.322 2.673 30 20 BFED C=CCCC[C@@H](C)NC(=S)NCC1CC1 849261047 BBAKKNZIPOAWSV-SNVBAGLBSA-N 226.389 2.605 30 20 BFED C[C@@H](CC(C)(C)C#N)OC(=O)c1cccn1C 851213405 GQSAECZHCLGTAP-JTQLQIEISA-N 234.299 2.510 30 20 BFED C#C[C@](C)(CC)NC[C@H](Cc1ccccc1)OC 852103685 OVUPGXIAFHCJSI-JKSUJKDBSA-N 245.366 2.636 30 20 BFED CC[C@@H]1COCC1=NNc1cccc(F)c1 853293649 NAWGUCWPFCXMCV-SECBINFHSA-N 222.263 2.650 30 20 BFED Cc1c(NC(=O)C#CC(C)C)ccc(F)c1F 854950772 VKYUIFGIULJGRH-UHFFFAOYSA-N 237.249 2.871 30 20 BFED C#CC[C@H](CCOC)N[C@H]1CCC[C@H](C)C1 862547720 NAMSOZDRUSGJJP-MJBXVCDLSA-N 223.360 2.583 30 20 BFED Fc1ccc(NN=C2CCOC2)cc1Cl 863181193 WYGMCAZBEUVWJD-UHFFFAOYSA-N 228.654 2.667 30 20 BFED c1ccc2c(=NN=C3CC[C@H]4C[C@@H]34)cc[nH]c2c1 872350204 OMFXSWCAXNUKDK-CMPLNLGQSA-N 237.306 2.855 30 20 BFED C=C[C@@H](C)NC(=O)N1Cc2ccccc2[C@@H](C)C1 872936524 WFAAKPHXKALLSW-NWDGAFQWSA-N 244.338 2.890 30 20 BFED CC(=O)c1cccc(OC(=O)CCCC#N)c1F 873638670 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C=CCOC(=O)c1ccc(Cl)c(Cl)c1N 308844290 OOUGMUJJRRDVIN-UHFFFAOYSA-N 246.093 2.918 30 20 BFED C[C@H]1CC[C@@H]1NCc1cc(C#N)ccc1F 309285183 INQLZNSBPMPWTA-ZANVPECISA-N 218.275 2.585 30 20 BFED C=CC[C@H](CO)CN[C@H](C)C1CCCCC1 309524358 CLJVHUVFQOMVQS-OLZOCXBDSA-N 225.376 2.729 30 20 BFED C=CC[C@H](C)[C@H](C)NC[C@H]1CCC[C@H]1OC 309594392 VVAGRLFGBFARTB-IGQOVBAYSA-N 225.376 2.992 30 20 BFED C[C@@H]1CCC[C@@H]1/N=C(/O)[C@H]1CCCC(O)=N1 328638927 BUGSOVDCPBULIA-KXUCPTDWSA-N 224.304 2.641 30 20 BFED C[C@H]1CCC[C@H](C(=O)Nc2cccc(C#N)n2)C1 335374138 BCTASZNZSONTKX-QWRGUYRKSA-N 243.310 2.718 30 20 BFED C=C(C)CNC(=O)[C@H]1CCC(C)=C(C)C1 335504972 YCJDHAFQVPLKAT-LBPRGKRZSA-N 207.317 2.815 30 20 BFED CC[C@H]1CCC[C@H]1C(=O)N1CCC(C)(C#N)CC1 336202824 VUSZIMORWFJPPY-QWHCGFSZSA-N 248.370 2.965 30 20 BFED CC1(C)CC[C@@H]1NC(=O)N1CCC(CC#N)CC1 336346175 QGMAKGZLBQMCLM-LBPRGKRZSA-N 249.358 2.510 30 20 BFED C[C@H]1CC[C@@H](N(C)C(=O)c2ccc(C#N)s2)C1 336592391 HDGWWDFYKVNHMZ-VHSXEESVSA-N 248.351 2.880 30 20 BFED Cc1nc(N2CC[C@@H](CC3CC3)C2)ccc1C#N 338809478 KDHCULMUNYRGEN-ZDUSSCGKSA-N 241.338 2.888 30 20 BFED CC1(C)C[C@H]1C(=O)Nc1ccccc1CC#N 339183587 CKJBDUNSVPDVOT-NSHDSACASA-N 228.295 2.737 30 20 BFED CC#CCCCC(=O)NCc1cscc1C 347665246 XVBDRUVYLXPQPG-UHFFFAOYSA-N 235.352 2.866 30 20 BFED C=C(C)CN(CC)Cc1ccn(C(F)F)n1 347705776 PPAQIIGYUVOMRO-UHFFFAOYSA-N 229.274 2.676 30 20 BFED N#Cc1ccc(NC(=O)CCC2CC2)cc1C#N 349996729 WONQLFZMAMPABH-UHFFFAOYSA-N 239.278 2.559 30 20 BFED C=CCn1c(C2CCC2)nnc1N(C)[C@H](C)CC 350730774 VRXQVMFDDODBTH-LLVKDONJSA-N 248.374 2.966 30 20 BFED CC(C)[C@]1(C)C[C@@H]1C(=O)N(C)CC(C)(C)C#N 353185001 OTOAXIDQIYESCV-RISCZKNCSA-N 236.359 2.677 30 20 BFED CC[C@@H]1CCC[C@H]1NC(=O)CC(C)(C)C#N 354826780 PEZSZHQNSKPUKD-GHMZBOCLSA-N 222.332 2.621 30 20 BFED C=CCNC(=O)c1ccccc1COC(C)(C)C 358300774 PUSQIXGOPDTAAD-UHFFFAOYSA-N 247.338 2.918 30 20 BFED C=CCCCCCN(C)C(=O)C1(OC)CCC1 358961834 BCPRQNMFTOQCPY-UHFFFAOYSA-N 239.359 2.760 30 20 BFED CCCN(CC)c1ccc(C#N)cc1[N+](=O)[O-] 359030451 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C=C(C)CCN[C@H](C)Cc1ccc(O)cc1 386679083 HUWUSEBGDHLORS-GFCCVEGCSA-N 219.328 2.879 30 20 BFED CC[C@@H](N=c1cc[nH]c(C#N)c1)C(C)(C)C 393753443 QLWHLKCVKLLULO-GFCCVEGCSA-N 217.316 2.612 30 20 BFED CSC[C@H]1CCCN1CC1(CC#N)CC1 400055721 XAVIMHYMGYFYLF-LLVKDONJSA-N 224.373 2.508 30 20 BFED C[C@H](Nc1cncc(C#N)n1)c1cccs1 401383387 JUAOTEPJCIUVOJ-QMMMGPOBSA-N 230.296 2.583 30 20 BFED CC(C)(C#N)CCN1CCC(F)(F)CC1 404816707 KQNLLWHPVMLMSQ-UHFFFAOYSA-N 216.275 2.657 30 20 BFED C[C@H]1CCCC[C@H]1NC(=O)NCC1(CC#N)CC1 408352100 MKRVCIWFKMMNMA-NWDGAFQWSA-N 249.358 2.558 30 20 BFED CCC[C@@H](C#N)N(C)C(=O)[C@@H]1CC2CCC1CC2 410836680 SIDRNKKQTNQFTK-CLRIEMFWSA-N 248.370 2.963 30 20 BFED N#CC1(CNCc2ncc(Cl)s2)CCC1 418145901 ZHUUKMUSLCMBEI-UHFFFAOYSA-N 241.747 2.580 30 20 BFED C=CCCCSC[C@@H]1CCNC(=O)CC1 419404326 FWNLSOOXFCQEKH-NSHDSACASA-N 227.373 2.602 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 424896597 RFGNNULOFIPUHZ-GRYCIOLGSA-N 221.344 2.894 30 20 BFED CN(C)c1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 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30 20 BFED C=CCC1(C(=O)N(CC)CCOC)CCCC1 449479648 VPRUUNKSPRGCKX-UHFFFAOYSA-N 239.359 2.618 30 20 BFED CC[C@@H](CC#N)Nc1cccc(C#N)c1[N+](=O)[O-] 450443104 ZIWQLPOTDPUZBJ-JTQLQIEISA-N 244.254 2.571 30 20 BFED C=CC(C)(C)CNC(=O)CCCC#CC 452774643 MFIODJFMHFKZKT-UHFFFAOYSA-N 207.317 2.508 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2ccc(C)cc21 453379471 ZHRNWZKUEPYEAW-XHSDSOJGSA-N 243.350 2.915 30 20 BFED CC[C@H](C#N)NC(=O)[C@]1(C)CC[C@H](C)C1(C)C 457505554 NSPRSTBUGZTOBQ-WDMOLILDSA-N 236.359 2.867 30 20 BFED CC(C)(CC#N)CNCc1ccc(C#N)cc1 459695041 OICODUBWHHSSOW-UHFFFAOYSA-N 227.311 2.588 30 20 BFED Fc1ccc(C#CCN[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 459780756 NFLMGGRXYVHPFT-VNQPRFMTSA-N 243.325 2.955 30 20 BFED C=CCCCCCN1CC[C@@H](C)[S@](=O)CC1 488984043 RVBDZROATGYTEF-CZUORRHYSA-N 243.416 2.576 30 20 BFED C#CCN(CC1CCOCC1)C1CCCCC1 490655905 DLJIZNNSFWIBSD-UHFFFAOYSA-N 235.371 2.681 30 20 BFED C#C[C@@H](C)N(C)C(=O)C1(c2ccccc2)CCC1 491256070 ZMPQVZLNMCATFZ-CYBMUJFWSA-N 241.334 2.588 30 20 BFED 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240.343 2.520 30 20 BFED C[C@H]1[C@H](C)CCC[C@H]1NC(=O)C#CC(C)(C)C 837308058 FAPPOUIMHITXOA-FRRDWIJNSA-N 235.371 2.977 30 20 BFED CCN(Cc1cccs1)C(=O)C#CC1CC1 837316226 IEHCRNICKOHVIJ-UHFFFAOYSA-N 233.336 2.510 30 20 BFED C#Cc1ccc(C(=O)O[C@H](C)CC(C)C)nc1 837503478 HSRDLKQJYJFMBP-LLVKDONJSA-N 231.295 2.654 30 20 BFED C=CC[C@H]1N(C(=O)C#CC2CC2)CCCC1(C)C 837583432 HBUPSJDYSZLION-CQSZACIVSA-N 245.366 2.993 30 20 BFED CCC1(NC(=O)C#CC2CC2)CCCCC1 837683909 HCRWWUUEPNQAGV-UHFFFAOYSA-N 219.328 2.629 30 20 BFED C#CCC[C@@H](C)OC(=O)c1cnn(C(C)(C)C)c1 839036357 UFFCVMRJVVZTFC-LLVKDONJSA-N 248.326 2.597 30 20 BFED C[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)C(F)(F)F 839057182 WVVBLEFIPMQSRK-HLTSFMKQSA-N 249.232 2.810 30 20 BFED C[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)C(F)(F)F 839057186 WVVBLEFIPMQSRK-IWSPIJDZSA-N 249.232 2.810 30 20 BFED CC(=NOC(C)C)c1cccc2c1OCO2 841641087 MPLATSKZECBFRJ-UHFFFAOYSA-N 221.256 2.564 30 20 BFED C[C@H](O)CN(C)N=C1CCC(C(C)(C)C)CC1 841654646 ULRUUPJXJSWYKO-PXYINDEMSA-N 240.391 2.891 30 20 BFED C#CC1CCN(Cc2ccc(CC)o2)CC1 843426691 GVUWADIGSJBPOM-UHFFFAOYSA-N 217.312 2.687 30 20 BFED C=C[C@H](C)ON=Cc1nc(Cl)cs1 844622026 SISYKZFIYRSHSE-LURJTMIESA-N 216.693 2.722 30 20 BFED C=C[C@H](C)ON=C(C)CC1CCOCC1 844622433 ZKULWHKSKFPQHO-NSHDSACASA-N 211.305 2.770 30 20 BFED C=C(C)CONC(=O)NC[C@H]1CCCC1(C)C 845611529 VJVATQDVNJQEQP-LLVKDONJSA-N 240.347 2.620 30 20 BFED C=C[C@@H](C)ONC(=O)N(CC)[C@H](C)C(C)C 845632834 FKOLHJXESHNPRS-GHMZBOCLSA-N 228.336 2.569 30 20 BFED C=CCN(CC(=O)O)Cc1ccc(CCC)cc1 846263647 QCXIVCMGLDSIEI-UHFFFAOYSA-N 247.338 2.712 30 20 BFED C=C(C)CONC(=O)c1ccc(C)cc1Cl 846535239 UVAMMYSCUSISGZ-UHFFFAOYSA-N 239.702 2.886 30 20 BFED C=C(C)CONC(=O)/C=C/C1CCCCC1 846539376 VOQDBQUOCJJIKE-CMDGGOBGSA-N 223.316 2.747 30 20 BFED N#CCCCC(=O)OC1(C2CCCC2)CC1 848019267 ZGQCJVRNXQZUKC-UHFFFAOYSA-N 221.300 2.946 30 20 BFED C[C@@H]1CCC(=NNc2ccc(CC(=O)O)cc2)C1 848414079 IVVJAWDXCBPFIN-SNVBAGLBSA-N 246.310 2.902 30 20 BFED C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](CC#N)C2)C1 852269799 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243.266 2.762 30 20 BFED C=CCOCCCC(=O)N1CCC[C@H]1CCC 1347413719 QFLZILBHIMAZPC-CYBMUJFWSA-N 239.359 2.760 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)c1cc[nH]c1 1353905657 RMFMUGKRSFAMAU-GFCCVEGCSA-N 218.300 2.586 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)c1ccncc1 1514860195 VQTOAEIZLQRMDU-CYBMUJFWSA-N 230.311 2.652 30 20 BFED O=C(O)[C@H]1CCCC(=NOC2CCCCC2)C1 1610740035 FOUDTKNOTCKITE-JTQLQIEISA-N 239.315 2.967 30 20 BFED C=C(C)CCCN1C[C@H]2CC[C@H]1[C@H](C(=O)O)C2 1776138767 PKWNTZKGIGRTBG-XQQFMLRXSA-N 237.343 2.528 30 20 BFED N#Cc1ccnc(-c2ccc(F)cc2Cl)n1 1898207961 BVDVZGBFKZXLOT-UHFFFAOYSA-N 233.633 2.808 30 20 BFED CC(C)(NC(=O)CC#N)c1cccc(Cl)c1 41569363 RWBFQLPEDMSDFO-UHFFFAOYSA-N 236.702 2.605 30 20 BFED CCCCN(C(=O)c1ccc(C#N)cc1)C1CC1 42239218 OVXGBMLBDYMXMF-UHFFFAOYSA-N 242.322 2.963 30 20 BFED CC[C@H](C#N)C(=O)Nc1cccc(C)c1C 44811699 DPRWXISQXMZUFJ-LLVKDONJSA-N 216.284 2.792 30 20 BFED C[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 44814024 BWRILKCMKNCSNU-ZCFIWIBFSA-N 226.638 2.577 30 20 BFED 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CC(C)(O)CNN=Cc1ccc(C2CCC2)cc1 863136475 GAMDVJBQLQLLFM-UHFFFAOYSA-N 246.354 2.649 30 20 BFED C=C(C)C[C@@H](NCC1CCCCC1)C(=O)O 864531189 XSGSKVPPEXYXOR-GFCCVEGCSA-N 225.332 2.576 30 20 BFED C=CCCCCCN(C)c1ccc(F)nn1 865550821 KUIWCFWQPGTGSI-UHFFFAOYSA-N 223.295 2.798 30 20 BFED C#C[C@@H](C)NC(=O)[C@@H](C)CCc1ccc(F)cc1 867501138 CGRWKRWKVMXZLU-NWDGAFQWSA-N 247.313 2.532 30 20 BFED C=CCC1(C(=O)N2CC[C@@H](CF)C2)CCCC1 881678324 XRNJYDTYALAPNK-LBPRGKRZSA-N 239.334 2.941 30 20 BFED Cc1ccc(NC[C@@H](C)C2CC2)c(C#N)n1 881843641 KVJKKLUTLAPKCK-SECBINFHSA-N 215.300 2.720 30 20 BFED C=CC(C)(C)CC(=O)OC[C@H]1CC[C@H](C)O1 884650089 YEPFSODIXCJRDC-WDEREUQCSA-N 226.316 2.699 30 20 BFED C=CCCCOC(=O)Cc1ccc(CC)cn1 885362536 CBHCZVKXQZYTRZ-UHFFFAOYSA-N 233.311 2.696 30 20 BFED C=CC1(OC(=O)CO[C@H]2CCC[C@@H](C)C2)CC1 893362740 JNFXQFBUYFKRNA-NEPJUHHUSA-N 238.327 2.844 30 20 BFED C=C1CN(C(=O)[C@H]2CCC(C)=C(C)C2)C1 898703297 LXDMUFFQWVTSIG-LBPRGKRZSA-N 205.301 2.521 30 20 BFED C[C@H]1CCCCN1N=Cc1cnn(C2CCC2)c1 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20 BFED C[C@H]1CSC[C@@H]1Nc1cccc(C#N)c1 294570957 OKZXLBQYKNCKMI-CABZTGNLSA-N 218.325 2.722 30 20 BFED C#C[C@H](NC(=O)[C@H](C)CCCC)C(C)C 300985842 VAFOLWKOMRVONF-NEPJUHHUSA-N 209.333 2.587 30 20 BFED C[C@@H]1CC(C)(C)CC[C@H]1Nc1nccnc1C#N 301548597 QFAKKUAFRDVKBJ-GHMZBOCLSA-N 244.342 2.975 30 20 BFED C#C[C@H](CC)Nc1c(F)cccc1[N+](=O)[O-] 304626509 YRRRDRBEFFYEJD-MRVPVSSYSA-N 222.219 2.558 30 20 BFED C=CCC[C@@H](N[C@@H]1CCOC1)c1ccco1 309417585 ZBJRTSBJCYQDDJ-VXGBXAGGSA-N 221.300 2.665 30 20 BFED C#C[C@@H](NCc1sc(C)nc1C)C(C)(C)C 309726670 YDFIJRCKNAHAFP-GFCCVEGCSA-N 236.384 2.897 30 20 BFED C=C[C@@H](COC)NCc1cnc(C(C)C)s1 309990476 ZYLRSKIVIRDKIR-JTQLQIEISA-N 240.372 2.557 30 20 BFED CCCN(CC(C)C)C(=O)C1(C#N)CC(C)C1 310523280 VGKJAIHGRDLPQS-UHFFFAOYSA-N 236.359 2.821 30 20 BFED C=C(C)COCCNc1nccc(C(C)(C)C)n1 310885294 SJYHCQNDQIVTRJ-UHFFFAOYSA-N 249.358 2.779 30 20 BFED CCOC[C@@H](C)Nc1cccc(CC#N)c1 313478759 MTUITLXZNCJJGB-LLVKDONJSA-N 218.300 2.590 30 20 BFED 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C[C@@H](C#N)OCCN1CCc2ccccc2[C@H]1C 801921157 ZPDZSFGSWOHBMV-QWHCGFSZSA-N 244.338 2.534 30 20 BFED CC(C)CCC(=NN[C@@H]1CCCOC1)C1CC1 802712641 SFSBNGIQEXDNOY-CYBMUJFWSA-N 238.375 2.957 30 20 BFED C=CCCCCOC(=O)[C@H]1CCC(=O)C[C@H]1C 811009858 CVLBNOISYZYBAS-YPMHNXCESA-N 238.327 2.891 30 20 BFED CC(C)OCCON=C1CCCC[C@@H]1C 812240458 RGZPQZSVNOBDBG-NSHDSACASA-N 213.321 2.994 30 20 BFED CC(=NOCC1CC1)c1cccc(C#N)c1 814241731 NNEGFKIYTTUCDG-UHFFFAOYSA-N 214.268 2.709 30 20 BFED CC1(C)OCCC1=NNc1ccccc1[N+](=O)[O-] 814685697 MREIDYAEZKEPCK-UHFFFAOYSA-N 249.270 2.562 30 20 BFED CO[C@](C)(C=NNCCC(C)(C)C)C1CC1 814901632 DUWOYJKIMWCDOK-CYBMUJFWSA-N 226.364 2.813 30 20 BFED CC[C@H](C)NN=C1COc2cc(C)c(C)cc21 814912988 FAHDGLOLQRITQY-NSHDSACASA-N 232.327 2.788 30 20 BFED C=CCC(F)(F)C(=O)Nc1cccc(C)c1O 815878306 ATBRNFKKJRWRHS-UHFFFAOYSA-N 241.237 2.851 30 20 BFED C=CCC(F)(F)C(=O)OCC1CC=CC1 815990686 DZCDGRISMPBGII-UHFFFAOYSA-N 216.227 2.707 30 20 BFED CC[C@H](O)CNc1cc(C#N)ccc1OC(C)C 819422591 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2.683 30 20 BFED CCC/C=C/C(=O)NCCc1ccc(C#N)cc1 855220428 FTWHFOVBWNEFKE-SNAWJCMRSA-N 242.322 2.573 30 20 BFED C=CCCONC(=O)c1ccc(C)c(C)c1 856028418 SMURMJVBBAPKQQ-UHFFFAOYSA-N 219.284 2.541 30 20 BFED C#Cc1cccnc1NC[C@@H](CCC)OCC 858656797 MZCSQNDCMOOXCK-CYBMUJFWSA-N 232.327 2.680 30 20 BFED C#CCCOC(=O)N1CCCC[C@@H]1CCC 859105084 KQWGPDYVXASOAX-LBPRGKRZSA-N 223.316 2.801 30 20 BFED C#CCCOC(=O)Oc1c(C)cc(OC)cc1C 859199471 NTJQCBQKHAIGFS-UHFFFAOYSA-N 248.278 2.851 30 20 BFED CC#CCCCC(=O)OC[C@@H](OCC)C1CC1 859638255 HYTXFESUZIAZIB-CYBMUJFWSA-N 238.327 2.538 30 20 BFED CCNc1ccccc1C=NO[C@H]1CCCCO1 872361005 YHNZUQMEMOWRHJ-AWEZNQCLSA-N 248.326 2.996 30 20 BFED CC[C@H]1CCCC(=NNc2cc(C)nc(N)n2)C1 872420735 XIPVSWSHLBMUOQ-JTQLQIEISA-N 247.346 2.735 30 20 BFED C[C@H](CCC#N)CN1CCC(c2cn[nH]c2)CC1 876632942 OQRWHSCYZROCGJ-GFCCVEGCSA-N 246.358 2.529 30 20 BFED C=CCN(c1nnc(Cl)c(C)c1C)C1CC1 882155062 AZDZZVJUKDFKHA-UHFFFAOYSA-N 237.734 2.902 30 20 BFED C=C(C)CCOC(=O)Cc1sc(C)nc1C 885691969 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20 BFED C=C(C)CCN1CC(C)(C)C[C@H]1CC(=O)O 1776139351 WVAVUJSQEBIOGL-LLVKDONJSA-N 225.332 2.528 30 20 BFED N#Cc1cccc(CNCc2ccc(F)cc2)c1 19943516 AEFLBOREOAEEHZ-UHFFFAOYSA-N 240.281 2.987 30 20 BFED N#Cc1cccc(NC(=O)c2cc(Cl)c[nH]2)c1 30057654 RDXUJJVDSIECEB-UHFFFAOYSA-N 245.669 2.792 30 20 BFED C[C@H](C#N)CN(C)Cc1cc(F)ccc1F 42324875 FGAPXQIJBMCDEX-SECBINFHSA-N 224.254 2.556 30 20 BFED CC[C@@H](C#N)C(=O)N1CCCc2ccccc21 44811953 CZLMAWZQDSSRNB-NSHDSACASA-N 228.295 2.516 30 20 BFED CC[C@H](C#N)C(=O)N[C@@H](C)CCCC(C)C 44825148 IAGUJSNNSJTBOT-NWDGAFQWSA-N 224.348 2.867 30 20 BFED COc1cccc(-c2cncc(C#N)c2)c1 49814763 GNEHPQKVOLJGFU-UHFFFAOYSA-N 210.236 2.629 30 20 BFED C[C@@H]1C[C@@H](C)CN(C(=O)c2sccc2C#N)C1 52033672 MMDLPLNQVPWKET-NXEZZACHSA-N 248.351 2.738 30 20 BFED CCCCCOC(=O)c1cccc(C#N)c1 60736144 YXQCUUUOQUDJFJ-UHFFFAOYSA-N 217.268 2.905 30 20 BFED C#CCN(C(=O)c1occc1C)C1CCCCC1 65777031 BQPKSVGEQHEANF-UHFFFAOYSA-N 245.322 2.996 30 20 BFED C[C@@H]1C[C@@H](Nc2ccc(CC#N)cc2)CCO1 70353242 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C=CCCOC(=O)c1cccc(-n2cccn2)c1 117084749 GVQDESZMKLCTEI-UHFFFAOYSA-N 242.278 2.605 30 20 BFED C=CCOC(=O)C(C)(C)Cc1ccccc1 117998561 ICHXFOWFGPCOFE-UHFFFAOYSA-N 218.296 2.985 30 20 BFED CC[C@@H]1CC[C@@H](C)N1c1ccc(C#N)cn1 124469311 GSHKRQIYLLQTDV-ZYHUDNBSSA-N 215.300 2.721 30 20 BFED Cc1cc(C(=O)N(C)[C@@H](C)C#N)ccc1Cl 138226470 YCVBTGNHMNZRCJ-VIFPVBQESA-N 236.702 2.633 30 20 BFED C=CCCCCCN(C)[C@H](C)C(=O)OCC 150884436 UVZQTQICIOSPAB-GFCCVEGCSA-N 227.348 2.616 30 20 BFED C=CCN(C)C/C=C/c1ccc(F)cc1 154777091 AJUFWMORYDNHAG-SNAWJCMRSA-N 205.276 2.957 30 20 BFED C=C(C)CNC(=O)Nc1ccc(F)cc1C 156169388 ZTMBMHANLZEXMU-UHFFFAOYSA-N 222.263 2.832 30 20 BFED C=CCC[C@H](O)CN(C)c1ccccc1OCC 159404490 GMRJQBZLBAGASX-ZDUSSCGKSA-N 249.354 2.849 30 20 BFED C=C(C)CNC(=O)[C@@H](C)c1ccsc1 161036479 YQMVTIKQZSKHDL-VIFPVBQESA-N 209.314 2.544 30 20 BFED C#C[C@@H](C)NCc1ccc(Cl)c(F)c1 166445227 KWFMGGPDJHUXQA-MRVPVSSYSA-N 211.667 2.590 30 20 BFED C=CCOCCCC(=O)N1CCC[C@@H](CC)C1 173447556 PGYAXBPWYOAICM-CYBMUJFWSA-N 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243.310 2.914 30 20 BFED c1ccc2c(c1)OCC2=NNC1CCCCC1 814909425 LEXCRCRUSKKOAM-UHFFFAOYSA-N 230.311 2.705 30 20 BFED C#CCON=C[C@@H](CC)c1ccccc1 814936524 XFHBXBXSULBQRZ-GFCCVEGCSA-N 201.269 2.816 30 20 BFED C(=NOCC1CC1)c1nc2c(s1)CCCC2 814941024 LZOBNBKMHCMDAD-UHFFFAOYSA-N 236.340 2.782 30 20 BFED Cc1c(F)cccc1C(=O)O[C@@H](C#N)C1CC1 817719859 NEVMYPXPFRHXDO-LBPRGKRZSA-N 233.242 2.593 30 20 BFED C=C(C)C(C)(C)C(=O)OCCc1cscn1 821451941 INFQQIVNUFLORL-UHFFFAOYSA-N 239.340 2.831 30 20 BFED C[C@]1(CN[C@H]2CC[C@@H](C#N)C2)CC1(Cl)Cl 824774613 UDNXTJYXQVWJCD-KXUCPTDWSA-N 247.169 2.852 30 20 BFED CCCCCCC[C@H](C)N[C@H]1C[C@H](O)C1 827827666 WVBMHFPCCVKZOO-AVGNSLFASA-N 213.365 2.848 30 20 BFED CC(C)C#CC(=O)N1CC2(CC2)c2ccccc21 828436948 IKJRAVBYGVIRPX-UHFFFAOYSA-N 239.318 2.724 30 20 BFED CCOc1ccc(N(C)C(=O)C#CC(C)C)cc1 828444400 XOBKTWRLDORFQT-UHFFFAOYSA-N 245.322 2.708 30 20 BFED O=C(C#Cc1cccs1)N1CCCC2(CC2)C1 829609958 ZROGYBKFYIPNAP-UHFFFAOYSA-N 245.347 2.502 30 20 BFED 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235.718 2.611 30 20 BFED CC[C@H](C)CON=C(C)C1(OC)CCC1 853349834 JMUDRCYXHRULLB-JTQLQIEISA-N 213.321 2.994 30 20 BFED CC(C)ON=Cc1ccc(O[C@@H]2CCOC2)cc1 853354098 VKBCAONSHMQSNO-CQSZACIVSA-N 249.310 2.613 30 20 BFED CC(=NNc1ccnc(Cl)c1)[C@H]1CCCO1 853395097 KQSLTDFFBRPJDL-SNVBAGLBSA-N 239.706 2.702 30 20 BFED C=CCCOC(=O)COCc1ccccc1C 856962236 LCFMLAXCRWYTME-UHFFFAOYSA-N 234.295 2.631 30 20 BFED CCCCCCCNC(=O)CC1(O)CCCC1 862358666 QEXOOVBXKMNYSG-UHFFFAOYSA-N 241.375 2.768 30 20 BFED CCCCCCCNC(=O)[C@@H]1CCSC1 862358871 YLPPNHXHPXLYHS-LLVKDONJSA-N 229.389 2.826 30 20 BFED CCC(=NNCC(F)(F)C(F)(F)F)C1CC1 863180846 BPQIHOZROUOADT-UHFFFAOYSA-N 244.207 2.950 30 20 BFED COC(=O)Oc1cc(C)c(C#N)c(C)c1C 867266387 QUFKKIIMCWGKSU-UHFFFAOYSA-N 219.240 2.629 30 20 BFED N#C[C@H]1CC[C@@H](NC(=O)OC2CCCCC2)C1 867431234 FLTBWRSCRWATAW-WDEREUQCSA-N 236.315 2.738 30 20 BFED CC(=NOCC1CC1)c1cccc(O)c1F 872379035 VIJYBOWREADTQT-UHFFFAOYSA-N 223.247 2.682 30 20 BFED C=C[C@](C)(CC)c1nc(Cc2conc2C)no1 896745605 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BFED C#CCN(CC1CC1)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 1117794111 CCRVEFINFJGCLH-VNHYZAJKSA-N 247.382 2.931 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)[C@H](CC)OCC 1120813439 DKDOZHVMEVNPMG-OLZOCXBDSA-N 239.359 2.759 30 20 BFED C#CC[C@@H](CC)c1nnc(N(CC)CC)n1CC 1121648976 UDMKAYCGOMDSKN-GFCCVEGCSA-N 248.374 2.661 30 20 BFED C=C(CC)C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 1123678937 VZJFBPZLHBZOSK-NWDGAFQWSA-N 239.359 2.663 30 20 BFED C=CC[C@@H](CC)NC(=O)N1CCC(=C)CC1 1262371868 YNWAHHHHEVXTQD-GFCCVEGCSA-N 222.332 2.703 30 20 BFED C[C@H](C#N)CN(C)[C@@H]1CCc2c(F)cccc21 1319927186 HSHVTVFAILIRKS-QMTHXVAHSA-N 232.302 2.904 30 20 BFED C=CC[C@H](N[C@H](C)CCCCC)C(=O)O 1331932733 RQNUGRQGTDWSJQ-MNOVXSKESA-N 213.321 2.574 30 20 BFED C=C[C@H](CCC(=O)O)NC/C=C/c1ccccc1 1332013867 QZRTXVCZJSXSIN-VIIAAUOXSA-N 245.322 2.709 30 20 BFED C=C(C)CCC(=O)Nc1ccc(OC)cc1OC 1336762785 IONKKHCATGLCQM-UHFFFAOYSA-N 249.310 2.999 30 20 BFED CC(C)=CCNC(=O)CC#Cc1ccccc1 1338972158 DKEVRQBVTQHTCY-UHFFFAOYSA-N 227.307 2.511 30 20 BFED C=C(CC)C(=O)N[C@@H](C)c1nc(C)cs1 1348771937 FNHRDDORFFGLPG-VIFPVBQESA-N 224.329 2.595 30 20 BFED N#Cc1ccc(CCSc2ncc[nH]2)cc1 1472994362 IFZLAIOTECOEDW-UHFFFAOYSA-N 229.308 2.616 30 20 BFED C=CCCN(Cc1ccc(C(=O)O)cc1)C1CC1 1776174685 PZZZJTMSWKASMQ-UHFFFAOYSA-N 245.322 2.925 30 20 BFED COc1ccc2cc(CC=O)ccc2c1 34265401 DOUAJKGKXXNGOB-UHFFFAOYSA-N 200.237 2.590 30 20 BFED Cc1cc(C)c(NC(=O)[C@@H](C)C#N)c(C)c1 36240589 NFKPAHJSMBAQGE-NSHDSACASA-N 216.284 2.710 30 20 BFED CC(C)N(CCC#N)Cc1cccc(C#N)c1 44414954 BCWLPYRRIWZEBL-UHFFFAOYSA-N 227.311 2.682 30 20 BFED Cc1ccsc1C(=O)[C@@H](C#N)c1ccccn1 46439258 BUBDVERRPMAFLY-JTQLQIEISA-N 242.303 2.942 30 20 BFED CC(C)C[C@@H](C)CC(=O)N(C)C1(C#N)CCC1 67911568 OFLPHUATDNYRBF-GFCCVEGCSA-N 236.359 2.963 30 20 BFED CC1(C)[C@@H](/N=C/c2ccccc2O)[C@H]2CCO[C@@H]21 78052631 RZOZOBDALHXYCT-HYPSQLODSA-N 245.322 2.625 30 20 BFED C#CCNC(=O)C1CCC(c2ccccc2)CC1 79312558 UPBSFIGYWQSLCZ-UHFFFAOYSA-N 241.334 2.710 30 20 BFED C[C@@H]1CCC[C@H](N(C)c2cccc(C#N)n2)C1 80117596 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2.649 30 20 BFED C=C[C@@H](C)NC(=O)c1ccc(OC(F)F)cc1 154253721 UVOZCYFGXOGKRZ-MRVPVSSYSA-N 241.237 2.592 30 20 BFED Cc1ccc(NCc2ccc(C#N)s2)nc1 157453053 RDGTWFQBFFWNLB-UHFFFAOYSA-N 229.308 2.935 30 20 BFED C=CCN(CC=C)Cc1cnc2ccc(C)cn12 158147211 ZZMVCGXNGCMJLG-UHFFFAOYSA-N 241.338 2.817 30 20 BFED CCCCCCCN[C@H](CCO)C(C)C 161733832 TVXRXIWPWHVJRR-CYBMUJFWSA-N 215.381 2.953 30 20 BFED C=CCNC(=O)c1cc2cc(C)c(C)cc2o1 173034763 SEZSXGSCGJCUFJ-UHFFFAOYSA-N 229.279 2.965 30 20 BFED C=CCOCCCC(=O)N[C@H](C)[C@@H](C)CC 173808011 UOIWQKRKHWSXRI-NWDGAFQWSA-N 227.348 2.520 30 20 BFED COC[C@H](C)SCc1cc(C#N)ccc1F 173891447 DCXBAAXNAXRUBG-VIFPVBQESA-N 239.315 2.965 30 20 BFED CCC(CC)[C@@H](O)CNCC(C)(C)CCC#N 174380371 GYLHOPYFPNSEIP-ZDUSSCGKSA-N 240.391 2.703 30 20 BFED C=CCCO[C@H](C)C(=O)Nc1cccc(C)c1O 174937125 WPWCCCDUJUOVOO-LLVKDONJSA-N 249.310 2.620 30 20 BFED C=CCCCC(=O)NC[C@@H](OC)c1ccccc1 175215505 HRAPWCTUWSKWMU-CQSZACIVSA-N 247.338 2.847 30 20 BFED C=CCNC(=O)N[C@H](CCC)CCCC 175514101 DAVBOMAFIHPZGA-LLVKDONJSA-N 212.337 2.831 30 20 BFED CCCCc1ccc(N(C)CC#N)cc1 176305703 OKLHYFFVAHUDHZ-UHFFFAOYSA-N 202.301 2.989 30 20 BFED CCCn1nccc1NCc1ccc(C#N)s1 176961292 QDHIAXGBITYTQO-UHFFFAOYSA-N 246.339 2.838 30 20 BFED COc1ccccc1C[C@H](N[C@@H](C)C#N)C(C)C 178397815 HNHHNOZKXFPQBV-JSGCOSHPSA-N 246.354 2.764 30 20 BFED CC(C)CCCS(=O)(=O)CCCCC#N 182433495 SJKWZLGBYHNBCK-UHFFFAOYSA-N 231.361 2.531 30 20 BFED C=CCCC[C@@H](C)NC(=O)N[C@@H](C)CC 183500519 YVXNZYRAXXQTFC-WDEREUQCSA-N 212.337 2.829 30 20 BFED C=C(C)CS(=O)(=O)N(C)C1CCCCCC1 184327494 LUFHJIATPASZKY-UHFFFAOYSA-N 245.388 2.547 30 20 BFED C#C[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)C(C)C 186061564 QSEGVFJYUWZDOO-HIFRSBDPSA-N 243.350 2.639 30 20 BFED O=C(/C=C/c1ccc(F)nc1)c1ccc(O)cc1 186374252 IIWFWKAZMXANOO-LREOWRDNSA-N 243.237 2.822 30 20 BFED C#CCOc1ccccc1NC(=O)C=C1CCC1 187188648 YZBSMZHWPLNJLP-UHFFFAOYSA-N 241.290 2.747 30 20 BFED C=C(C)CNC(=O)[C@@H]1CCCC(C)(C)C1 189422615 BDTQQXUJMIDPPA-LLVKDONJSA-N 209.333 2.895 30 20 BFED CC(C)CC[C@H](C)NCc1cc(C#N)n(C)c1 189577692 VZOMRTCYEPHWBZ-LBPRGKRZSA-N 233.359 2.811 30 20 BFED CCCCCCCC(=O)NC[C@@H]1CC[C@H](O)C1 191164435 AEBWMQYBGKONAE-OLZOCXBDSA-N 241.375 2.624 30 20 BFED C=CCCC[C@H](C)N[C@@H]1CCOC[C@@H]1C 192128128 XRADMBGQIBGQPK-RWMBFGLXSA-N 211.349 2.746 30 20 BFED CC[C@H](C#N)OC(=O)c1ccc(C)c(C(C)=O)c1 195051402 MDPMPAIDBXQBKR-GFCCVEGCSA-N 245.278 2.657 30 20 BFED CC1(C#N)CCN(C(=O)N2CCCCCC2)CC1 226318246 KINYWHIZAOPZEK-UHFFFAOYSA-N 249.358 2.608 30 20 BFED Cc1cnccc1CNCC(C)(C)CCC#N 228658448 UPCFNDQTKWLTDE-UHFFFAOYSA-N 231.343 2.810 30 20 BFED Cn1cc(CN[C@@H]2CCC(C)(C)C2)cc1C#N 232316102 RBUDDEDOEOEZQV-GFCCVEGCSA-N 231.343 2.565 30 20 BFED C=C(C)COc1ccc(C(=O)O)c(C)c1 232366657 AJJIDXGJGDDUTG-UHFFFAOYSA-N 206.241 2.648 30 20 BFED CC(C)(C)C[C@@H](N)c1cccc(C#N)c1 238073021 JRJAGGSDEIGGAO-GFCCVEGCSA-N 202.301 2.994 30 20 BFED C=CC[C@H](C)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 245845662 FKXWCBBEOLFTGV-IGQOVBAYSA-N 235.371 2.888 30 20 BFED C=CC1CCN(C(=O)/C(C)=C\CC)CC1 255332422 TWHQYOWPISYHIG-WDZFZDKYSA-N 207.317 2.767 30 20 BFED CN(Cc1ccc(F)cc1F)CC(C)(C)C#N 258905113 LJAIXFVBJOMCEL-UHFFFAOYSA-N 238.281 2.946 30 20 BFED CCN(CC)/C(N)=N/CC[C@@H](C)c1ccccc1 264090850 KZYCEXCKPNZYHR-CYBMUJFWSA-N 247.386 2.837 30 20 BFED Cc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1C 267213523 HXHKSKUWGRBSLA-CYBMUJFWSA-N 244.338 2.972 30 20 BFED C=C1CCN(C(=O)c2ccc(C)cc2F)CC1 267277405 UYHHPDIQWWITRP-UHFFFAOYSA-N 233.286 2.926 30 20 BFED C[C@@H]1CCCN1c1ccc(Cl)c(C#N)n1 267749179 XPBIKJLYVKBZHG-MRVPVSSYSA-N 221.691 2.595 30 20 BFED C=CCC[C@H](NCCCc1nc(C)no1)C1CC1 271419758 BJZRAUJDLYINMW-ZDUSSCGKSA-N 249.358 2.645 30 20 BFED C#CCN(Cc1ncc(C(C)(C)C)o1)C1CC1 274170849 NPSJLERBKAFIAE-UHFFFAOYSA-N 232.327 2.570 30 20 BFED N#Cc1c(F)cccc1N[C@@H]1CCC[C@@H]1CCO 275018024 LCYFSCAYHWMHGS-ZWNOBZJWSA-N 248.301 2.660 30 20 BFED C#CCOc1ccccc1NCC[C@@H]1CCCO1 276093579 QYGMUSJJWFDVQS-ZDUSSCGKSA-N 245.322 2.680 30 20 BFED CN(CCCCC(C)(C)C#N)CCn1cccn1 277763501 QMVRHUNQIJVTMK-UHFFFAOYSA-N 248.374 2.535 30 20 BFED CC[C@@H](NC[C@@H](O)C(C)C)c1ccc(C#N)cc1 278658250 IOMIWRMVKSGSHK-HUUCEWRRSA-N 246.354 2.616 30 20 BFED CCN(CC#N)Cc1ncc(C(C)(C)C)s1 279879651 RMJWBVJIYFZVHV-UHFFFAOYSA-N 237.372 2.786 30 20 BFED CCn1ccnc1[C@H]1CCCCN1CCCC#N 280696121 ABMYWQXCGSQCNC-CYBMUJFWSA-N 246.358 2.734 30 20 BFED CC(C)C(=O)Nc1cc(C#N)ccc1NC1CC1 281151636 LACZGTHUYKAXER-UHFFFAOYSA-N 243.310 2.727 30 20 BFED CO[C@]1(C)C[C@H](Nc2cc(C#N)ccn2)C1(C)C 288352489 KIKNTCBNGKRQDJ-SMDDNHRTSA-N 245.326 2.569 30 20 BFED COC1(CCNCc2cccc(C#N)c2)CCC1 292860280 CMCKYZPNLFVLSY-UHFFFAOYSA-N 244.338 2.607 30 20 BFED C=CC[C@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 294860704 SZFOYQCJUUAZSY-VHSXEESVSA-N 249.314 2.792 30 20 BFED C=CC(C)(C)C(=O)N[C@H]1CCc2c(O)cccc21 295017926 YTRJNAAQOBCBRU-LBPRGKRZSA-N 245.322 2.708 30 20 BFED C#C[C@@H](NC(=O)Nc1c(C)cccc1F)C(C)C 296893375 RIIQGYBOOIREEF-GFCCVEGCSA-N 248.301 2.913 30 20 BFED C=CCCc1noc([C@H](CCC)OC)n1 297264059 KFNDOLCATUNPKO-VIFPVBQESA-N 210.277 2.676 30 20 BFED 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2.865 30 20 BFED C=C(CC)C(=O)N(C)Cc1ccccc1 1348416587 XZANAZKDTQJPON-UHFFFAOYSA-N 203.285 2.611 30 20 BFED C/C=C(/C)COC(=O)c1csc(C#N)c1 1348734494 AJHRKARMYOJQSP-BAQGIRSFSA-N 221.281 2.743 30 20 BFED C=CC[C@H](N[C@H](C)[C@@H](C)c1ccccc1)C(=O)O 1353909575 IOTNFFNYHGZNKU-BZPMIXESSA-N 247.338 2.798 30 20 BFED C/C=C(/C)COC(=O)c1cccc(C#N)c1C 1519202474 QILHQAPPJIYCPX-WMZJFQQLSA-N 229.279 2.990 30 20 BFED C=C[C@H](CC)CC(=O)O[C@@H](C#N)C(C)C 1524621535 UCBOTZWJIZWZCV-MNOVXSKESA-N 209.289 2.680 30 20 BFED C=C1CC(CN(C)c2cccc(CC(=O)O)c2)C1 1776144104 KFYXPEITECMESJ-UHFFFAOYSA-N 245.322 2.716 30 20 BFED C=C1CC(CN2CC3(CCC3)CC[C@H]2C(=O)O)C1 1776144752 PQUKCDCWQMOJJX-ZDUSSCGKSA-N 249.354 2.672 30 20 BFED C=CCSCC(=O)Nc1cccc(OC)c1 6407335 NLMQVNJBUMDOQN-UHFFFAOYSA-N 237.324 2.553 30 20 BFED N#CCCNCc1ccc(CSC(F)F)o1 35015000 JHFYZUVLMZIJSJ-UHFFFAOYSA-N 246.282 2.739 30 20 BFED C#CCCCOc1ccc(-c2noc(C)n2)cc1 38237521 GDNWDRJXGIFWOA-UHFFFAOYSA-N 242.278 2.837 30 20 BFED CC(C)[C@@H](C)NC(=O)c1cccc(CC#N)c1 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246.339 2.639 30 20 BFED N#Cc1cccc(C(=O)/C=C/c2cncs2)c1 130006036 YPGWROXVXJWNOH-SNAWJCMRSA-N 240.287 2.911 30 20 BFED Cc1ccc(C#N)cc1OCc1ccccn1 131453295 BCJBGPBBJNWNSW-UHFFFAOYSA-N 224.263 2.841 30 20 BFED C=CCCCC[C@@H](C)NCc1cc[nH]n1 131936507 CJRFXBQWJXFVRQ-LLVKDONJSA-N 207.321 2.634 30 20 BFED Cc1nnc([C@H](C)Oc2ccc(C#N)cc2F)o1 134316747 HWHAHPGPOCGGBI-ZETCQYMHSA-N 247.229 2.529 30 20 BFED C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1C 134857284 PRVNORKPTBVFOO-YPMHNXCESA-N 209.333 2.990 30 20 BFED Cc1ccnc(N(C)Cc2ccccc2)c1C#N 135058107 CKSDGVSICALRNY-UHFFFAOYSA-N 237.306 2.898 30 20 BFED C=CCCCCNS(=O)(=O)CCC(C)(C)C 145441538 VCGNHXYXSJAHNH-UHFFFAOYSA-N 247.404 2.698 30 20 BFED CCCCCCCC(=O)N[C@@H](COC)C1CC1 152045093 KCWIBRMPKOQFLQ-ZDUSSCGKSA-N 241.375 2.888 30 20 BFED C=C(C)CNC(=O)C1(c2ccccc2C)CC1 152995457 JGTLPIXYWRUDIX-UHFFFAOYSA-N 229.323 2.719 30 20 BFED C=C[C@H](C)NC(=O)COc1ccc(C(C)C)cc1 154248955 OYQXIXNRGSGRQZ-LBPRGKRZSA-N 247.338 2.880 30 20 BFED C=C(C)CN(CC)C(=O)C[C@@H](C)c1ccncc1 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WFUALALIHXDGCV-UHFFFAOYSA-N 240.246 2.586 30 20 BFED C=CCCC(=O)COC(=O)[C@H]1CCC[C@H](C)C1 761402282 JOBHWNZCPWJPCR-RYUDHWBXSA-N 238.327 2.891 30 20 BFED CC(=NNc1cnn(C)c1)C1C(C)(C)C1(C)C 761867056 ANMOBZVNPQXBIC-UHFFFAOYSA-N 234.347 2.890 30 20 BFED C=CCCCOC(=O)c1c(C)ccnc1OCC 769069574 VDULDZADIPAEPH-UHFFFAOYSA-N 249.310 2.912 30 20 BFED C#C[C@@H](C)NC(=O)[C@H]1CCc2c(Cl)cccc21 772973401 XPFJYNSQTYXLOW-SKDRFNHKSA-N 247.725 2.508 30 20 BFED C=Cn1cc(C=NOC2CCCCC2)cn1 773074037 OJQMINAQQZTBOA-UHFFFAOYSA-N 219.288 2.667 30 20 BFED C=C(CC)CONC(=N)Cc1ccccc1 773179946 BSCYNTIZVIKICH-UHFFFAOYSA-N 218.300 2.694 30 20 BFED C[C@@H](C(=O)OCC1(C#N)CC1)c1cccs1 775858773 BZMQWIVDCPKKDR-SECBINFHSA-N 235.308 2.699 30 20 BFED CCSCCON=Cc1cccc(F)c1 778023398 JIBQTQLQXJYSGY-UHFFFAOYSA-N 227.304 2.929 30 20 BFED CCSCCC=NNc1cc(C)nc(C)n1 781121661 BZXGIWBNYUKDRY-UHFFFAOYSA-N 238.360 2.634 30 20 BFED C[C@H]1CC/C(=C\C(=O)N2CCC(CC#N)CC2)C1 782052799 HBRJCSHWSONMLK-SEVUAYLXSA-N 246.354 2.885 30 20 BFED O=C(Cc1csc2ccc(Cl)cc12)NO 782171839 FFSPIRVQAHFRHE-UHFFFAOYSA-N 241.699 2.603 30 20 BFED CCCNN=C(C)CCc1n[nH]c2ccccc12 782225714 YRJQATQNCZXJIM-UHFFFAOYSA-N 244.342 2.871 30 20 BFED CC1(C)CCC[C@H]1NN=Cc1cccc(O)c1 782299034 FEHXIQNCPJRGJE-CYBMUJFWSA-N 232.327 2.894 30 20 BFED C#CC[C@H](NCc1cnoc1C)c1ccccc1 782530217 VIAMKBCHMQTMAT-HNNXBMFYSA-N 240.306 2.837 30 20 BFED C=C(C)CNCc1ccc(OCOCC)cc1 783753011 GEMSSDJLOUNVAB-UHFFFAOYSA-N 235.327 2.725 30 20 BFED C[C@H](OC(=O)c1cc[nH]c1)c1ccc(C#N)cc1 784021596 OWUIOZZNGYLAPW-JTQLQIEISA-N 240.262 2.804 30 20 BFED CC(C)(C#N)CCCOC(=O)C1(C)CC1 784147756 MIVWCVORQYWLHH-UHFFFAOYSA-N 209.289 2.660 30 20 BFED N#C[C@@]1(F)CCN(Cc2ccc(CF)cc2)C1 786437121 OVHHAXXRBCTWEW-ZDUSSCGKSA-N 236.265 2.594 30 20 BFED Cc1cccc([C@H](O)CNC[C@H](C)CCC#N)c1 787774397 KLVSSUGFHAHQAP-UKRRQHHQSA-N 246.354 2.558 30 20 BFED C#CCC1(C(=O)OCC=C)CCCCC1 788213561 YYHQXALNTZHAKP-UHFFFAOYSA-N 206.285 2.689 30 20 BFED CC[C@@H](C)NN=C(C)c1sccc1O 790187588 GKCGIKNMVOASKC-SSDOTTSWSA-N 212.318 2.566 30 20 BFED C#C[C@H](CCC)NC(=O)c1cccc(C(C)C)n1 791200897 JAZIYYZGJYEGHD-GFCCVEGCSA-N 244.338 2.737 30 20 BFED c1cnnc(NN=C2CCC3(CC2)CC3)c1 792635652 IMDBOVQUDCSFAU-UHFFFAOYSA-N 216.288 2.599 30 20 BFED CC(=NNCC1(C)CCCC1)c1nccnc1C 793085064 WULXVYNSXYYAQD-UHFFFAOYSA-N 246.358 2.679 30 20 BFED C[C@@H]1CC[C@@H](C=NNc2cncc(Cl)n2)C1 800809946 IRQLAVITCZVXTL-RKDXNWHRSA-N 238.722 2.964 30 20 BFED C=C(C)CCOC(=O)c1ccc(C)nc1NC 803283250 UGFDSTKASZDWDS-UHFFFAOYSA-N 234.299 2.555 30 20 BFED C=CCCCCOC(=O)c1cc(C)sn1 811011154 NPFQSDSQHXUODX-UHFFFAOYSA-N 225.313 2.965 30 20 BFED N#Cc1ccc(C=NOC/C=C\Cl)cc1 811671037 MGHCOJUSKXQSPB-RUTKASESSA-N 220.659 2.661 30 20 BFED Cn1ncc(C=NOC2CCCCC2)c1Cl 814910388 UHKPNOKQFUDUSX-UHFFFAOYSA-N 241.722 2.757 30 20 BFED CCC(=NN[C@@H](C)c1ccncc1)[C@H]1CCOC1 819816257 IBVNSCFKWPRDDL-AAEUAGOBSA-N 247.342 2.535 30 20 BFED CN(C(=O)c1ccc(CF)cc1)C1(C#N)CCC1 823439714 TVBCXTCNGMJAOD-UHFFFAOYSA-N 246.285 2.674 30 20 BFED C#C[C@@H](C)NCc1cc(F)ccc1OC(F)F 825878934 XBPNBAHEHWSPHS-MRVPVSSYSA-N 243.228 2.538 30 20 BFED C[C@H](CC(C)(C)C#N)NCCOc1ccccc1 829180699 WXCOCCKOQONORS-CYBMUJFWSA-N 246.354 2.983 30 20 BFED COc1ccnc(NN=C2C[C@H](C)CC[C@H]2C)n1 834938045 DPUAEDKKEFGXKA-NXEZZACHSA-N 248.330 2.709 30 20 BFED CCC(=NNCC(F)F)c1ccsc1 834959520 UPQPVUQTAIRBKS-UHFFFAOYSA-N 218.272 2.717 30 20 BFED CC[C@@H](C)CC=NNc1ccc(C(=O)OC)cn1 834966280 FUKKZBUNTFNXAG-SNVBAGLBSA-N 249.314 2.702 30 20 BFED C[C@@H]1CC(=NN[C@@H]2CCCC2(C)C)[C@@H](C)O1 834976112 CEHIENWIWOGKDC-CKYFFXLPSA-N 224.348 2.708 30 20 BFED CC(C)ON=Cc1cnc([C@@H]2CCCO2)s1 834999942 IPKXYKBICBOUHW-JTQLQIEISA-N 240.328 2.754 30 20 BFED C[C@H]1CCC(=NNc2ccncn2)C[C@H]1C 835001034 JCIMHUXNAHLAKU-VHSXEESVSA-N 218.304 2.701 30 20 BFED C=CCCOC(=O)CCCC(=O)C(C)(C)C 835091744 UKHSDDLAQRRWHD-UHFFFAOYSA-N 226.316 2.891 30 20 BFED CS[C@H](C)COC(=O)c1ccc(C)c(C#N)c1 835689601 SNGMTELUIBZHDI-SNVBAGLBSA-N 249.335 2.775 30 20 BFED C[C@H](OC(=O)[C@H](C)C1CCC1)C(C)(C)C#N 838820496 GNKIFZCPKKGVDJ-ZJUUUORDSA-N 223.316 2.904 30 20 BFED CCC(=NN=C(C)c1cnccn1)[C@@H]1C[C@@H]1C 841628291 SGHFRCBRZNMUHQ-GXSJLCMTSA-N 230.315 2.708 30 20 BFED C[C@@H](COC(=O)CCCC#N)CC(F)F 842441690 NVAXPWSOICTNAW-MRVPVSSYSA-N 219.231 2.515 30 20 BFED C=C[C@H](C)ONC(=O)N[C@@H](C)c1ccccc1 844283828 HTOCEMDDINRKFZ-QWRGUYRKSA-N 234.299 2.553 30 20 BFED C=C[C@@H](C)ON=Cc1ccc(OC)cc1F 844621001 UBZKHTSAJBAXPV-SECBINFHSA-N 223.247 2.759 30 20 BFED C=CCCCC(=O)N1CCC2(CC1)CC2(F)F 844870973 JFXKURAHUBANHF-UHFFFAOYSA-N 243.297 2.991 30 20 BFED C=C(C)CONC(=O)N1CCC[C@@H]1CC(C)C 845594789 NNOBPCYJJQABJN-GFCCVEGCSA-N 240.347 2.714 30 20 BFED C=C(C)CONC(=O)[C@@H]1CCC[C@H]1CCC 846533572 BKDJMKCJXPQLMN-VXGBXAGGSA-N 225.332 2.827 30 20 BFED C=C[C@@H](C)ONC(=O)c1ccc(SC)cc1 846542449 BZPXKEONIQUNSI-SECBINFHSA-N 237.324 2.644 30 20 BFED C=C(C)CN(C)C(=O)/C(C)=C\c1ccco1 846953095 MMLBLDGHVZUUSI-FLIBITNWSA-N 219.284 2.717 30 20 BFED C=CCC[C@@H](C)OC(=O)Cn1cc(C2CC2)cn1 849976237 GLLZTGHQUFAHKS-LLVKDONJSA-N 248.326 2.658 30 20 BFED C[C@@H]1CC(=NNc2ccnc(Cl)c2)CCO1 853395146 MGIODMNWTOWDST-MRVPVSSYSA-N 239.706 2.702 30 20 BFED CC(=O)c1ccc(NC(=O)C#CC2CC2)cc1C 854511676 SYHCHPUSUNEYKX-UHFFFAOYSA-N 241.290 2.550 30 20 BFED CC#CCCCC(=O)OCc1ccnc(C)c1 856934241 NTTOMELBQZWYPQ-UHFFFAOYSA-N 231.295 2.627 30 20 BFED CCCCOC(=O)CS[C@@H]1CC[C@H](C#N)C1 865376958 JWIUESQHMZWXTE-WDEREUQCSA-N 241.356 2.755 30 20 BFED CCC(CC1CCCCC1)=NNc1cnnn1C 872379112 OFRIOLCYPLKJTE-UHFFFAOYSA-N 249.362 2.963 30 20 BFED C#CCCCCCCNc1cnn(CCF)c1 877653255 DVNLFYBNKBVEHP-UHFFFAOYSA-N 237.322 2.848 30 20 BFED C=C(CC)CN1CCC[C@@H](CCC(=O)OC)C1 880040753 BYNFWIBQBWKZHY-ZDUSSCGKSA-N 239.359 2.618 30 20 BFED C#CCCCNc1ccc(C#N)cc1COC 882030399 NTLJYJHBXFOFCM-UHFFFAOYSA-N 228.295 2.530 30 20 BFED C=CC[C@@H](CC)NC(=O)NC[C@@H]1C=CCC1 883623800 GDLXJZSDTYGLJT-VXGBXAGGSA-N 222.332 2.607 30 20 BFED C=CCCN(C)[C@@H](CO)c1ccccc1C 886433617 OUBRLMKBWIJMMD-AWEZNQCLSA-N 219.328 2.536 30 20 BFED CCCCN(CC)C(=O)Nc1ccc(C#N)cn1 889219217 FPQLHXSILYLQSX-UHFFFAOYSA-N 246.314 2.607 30 20 BFED C#CCCCC(=O)Nc1ccnc(Cl)c1F 891509548 KFJISTUNTJKGSL-UHFFFAOYSA-N 240.665 2.616 30 20 BFED C=C1CCN(C(=O)NCCC2CCC2)CC1 893575554 HMXCDOVKFGEKME-UHFFFAOYSA-N 222.332 2.538 30 20 BFED CC(C)(C#N)c1nc([C@@H]2CC2(Cl)Cl)no1 896806429 PLLFSYISLYAHGC-YFKPBYRVSA-N 246.097 2.532 30 20 BFED CS[C@@H]1CCCC(=NNCCOC(C)C)C1 901215154 IRZNXOZPSTZLMC-GFCCVEGCSA-N 244.404 2.663 30 20 BFED N#CCCNCC1(c2cccc(F)c2)CCC1 905565286 RHOPPUFQOAEPDE-UHFFFAOYSA-N 232.302 2.751 30 20 BFED C=C(CC)CNC(=O)/C(F)=C(/C)C1CC1 909388053 SZACMAYQAXCTJY-PKNBQFBNSA-N 211.280 2.722 30 20 BFED Cc1ccc(NN=Cc2cccn2C)cc1 916249922 DKQIGACEFIAFHC-UHFFFAOYSA-N 213.284 2.780 30 20 BFED C=CCN(C(=O)C[C@H](C)C1CC1)C(C)C 920476799 WLHQYTTTZDHFHC-NSHDSACASA-N 209.333 2.846 30 20 BFED C=CCOC(=O)[C@H](C)c1ccccc1C 923907212 GIKCWROORJZCMJ-LLVKDONJSA-N 204.269 2.828 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1cccc(CO)c1 929365309 YDGVMLLJVRYPSR-NSHDSACASA-N 233.311 2.720 30 20 BFED C=CCCN(C)C(=O)Nc1sccc1C#N 931840539 IMVCOCSVJIIAJK-UHFFFAOYSA-N 235.312 2.660 30 20 BFED C=C[C@H](CC)CC(=O)N(C)Cc1cccn1C 934733289 JBHDFKIXNMXWQG-GFCCVEGCSA-N 234.343 2.586 30 20 BFED C#Cc1ccc(NC(=O)N[C@@H]2CC23CCC3)cc1 934917718 HFKNQCMATZZNFO-CYBMUJFWSA-N 240.306 2.732 30 20 BFED Cc1ccc(C#N)cc1C(=O)N[C@H]1CCC1(C)C 935975660 WILZHZSOCVRLJL-ZDUSSCGKSA-N 242.322 2.785 30 20 BFED CC(=O)Nc1ccc(C=NOC(C)(C)C)cc1 1116409518 ZLJKXAPVGBRVSA-UHFFFAOYSA-N 234.299 2.794 30 20 BFED C#CCN(CC1CC1)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 1117794110 CCRVEFINFJGCLH-UMVBOHGHSA-N 247.382 2.931 30 20 BFED C=C(C)CCC(=O)NCc1ccccc1COC 1120565273 VKDBLVUNCUBNOR-UHFFFAOYSA-N 247.338 2.806 30 20 BFED C=CCC[C@@H]1CCCN1c1ccc(C#N)cn1 1262712015 PJPUJTUIHOQKDF-CYBMUJFWSA-N 227.311 2.888 30 20 BFED C#CCN(CC1CC1)C(=O)C[C@@H](CC)C(C)C 1319562437 FHGCRDSKEYXMAT-CQSZACIVSA-N 235.371 2.931 30 20 BFED C#CCC(C)(C)C(=O)Nc1cccc2c[nH]nc12 1338036985 CTRUUOIFUHWGCC-UHFFFAOYSA-N 241.294 2.551 30 20 BFED Cn1ccnc1[C@@H](C#N)C(=O)C1CCCCCC1 1342166487 PXHQLGBDHRYGPT-LBPRGKRZSA-N 245.326 2.567 30 20 BFED C#CCC[C@H](C)OC(=O)C1(C(C)(F)F)CC1 1345824142 IUHVPHSJGPOACX-VIFPVBQESA-N 230.254 2.767 30 20 BFED C=C[C@H](C(=O)N1CC[C@H](C)C1)c1ccccc1 1348079582 FDEMQPFTVVFLGP-JSGCOSHPSA-N 229.323 2.825 30 20 BFED CC[C@H](C)CCC(=O)[C@@H](C#N)c1nccn1CC 1517045927 IYDDJFQRWZZHIW-NWDGAFQWSA-N 247.342 2.906 30 20 BFED C=C(CC)C(=O)NC[C@H]1CCCCC1(F)F 1521638756 MSKFYMHWBRVXFS-SNVBAGLBSA-N 231.286 2.894 30 20 BFED CC(CCC(=O)O)=NNc1ccc(F)cc1F 1592471528 ZMMCUPDLCKUQKP-UHFFFAOYSA-N 242.225 2.617 30 20 BFED CCCCCCCN1CC2CC1(C(=O)O)C2 1605267028 CYUVEFMWHYZQQS-UHFFFAOYSA-N 225.332 2.506 30 20 BFED Cc1cccc(CNc2n[nH]c(C)c2C#N)c1 1658083882 RVGNBEZEEMYYAN-UHFFFAOYSA-N 226.283 2.510 30 20 BFED C=C(C)CCCN1CCC(F)(F)C[C@@H]1C(=O)O 1776138734 JZSOXOXGRAFVEH-SNVBAGLBSA-N 247.285 2.527 30 20 BFED Cc1cccc(NCc2ccc(C#N)cc2)n1 37749655 XZDLHXGEJNQMEX-UHFFFAOYSA-N 223.279 2.874 30 20 BFED N#CCCOc1ccc([N+](=O)[O-])cc1Cl 37974517 OYHAKCWRWQWTEE-UHFFFAOYSA-N 226.619 2.541 30 20 BFED C=CCNc1ccc(Cl)c([N+](=O)[O-])c1 41571857 OZSPCADFKWSUHR-UHFFFAOYSA-N 212.636 2.846 30 20 BFED Cc1ccc(C#N)c(NCc2cccs2)n1 44419419 OJWHCBFXCRJDIZ-UHFFFAOYSA-N 229.308 2.935 30 20 BFED Cc1cc(Cl)ccc1NC(=O)[C@@H](C)C#N 44812912 LGMWGLPZXXXEIO-QMMMGPOBSA-N 222.675 2.747 30 20 BFED C#CCN(C)Cc1cccc2ccccc12 51992988 KJQZIBPTNXRLEF-UHFFFAOYSA-N 209.292 2.905 30 20 BFED C=C(C)CN(CC)C(=O)Cc1ccc(OC)cc1 57157933 WHLSXHCHRJKKFQ-UHFFFAOYSA-N 247.338 2.662 30 20 BFED C[C@H](CC#N)NCc1ccc2c(c1)CCC2 67406327 FNPLKSBCFGNLOC-LLVKDONJSA-N 214.312 2.567 30 20 BFED CCCCN(CC)CCCSCC#N 74980784 FWPMDDBWDXYXCG-UHFFFAOYSA-N 214.378 2.755 30 20 BFED CC(C)c1csc([C@@H](C#N)C(=O)C2CC2)n1 80457599 QSMXFCHXODTVBI-VIFPVBQESA-N 234.324 2.853 30 20 BFED C[C@H]1CC[C@@H](C)N(C(=O)C2(C#N)CCCC2)C1 88706424 DCGGTNGWKHZAAU-NWDGAFQWSA-N 234.343 2.717 30 20 BFED C[C@@H](Cc1ccco1)NCc1cc(C#N)cs1 93492258 VAWJUCCRQXGUQT-JTQLQIEISA-N 246.335 2.934 30 20 BFED C[C@H](CC#N)N(C)C(=O)CCCC(C)(C)C 103441320 UBJXCARGEVFYOX-LLVKDONJSA-N 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30 20 BFED C=CC[C@@H](CO)CNCC1CCCCCC1 309612622 ZZSUYJLWHPEHKS-CQSZACIVSA-N 225.376 2.731 30 20 BFED C=C(CC)CNC(=O)C1(C#N)CCCCC1 313480198 IXPSQOSFISIBCO-UHFFFAOYSA-N 220.316 2.543 30 20 BFED Cc1nnccc1N=C(O)[C@H]1C[C@@H]1C(C)C 330105046 IAHWBLUEQIWJLI-ZJUUUORDSA-N 219.288 2.665 30 20 BFED C[C@]1(CNc2ccc(C#N)cc2F)CCOC1 334371448 XEKZAJJBKPOEGJ-CYBMUJFWSA-N 234.274 2.536 30 20 BFED C[C@H]1CC=C(C(=O)N(C)CC(C)(C)C#N)CC1 334728539 QODOTSHQSLJUIA-NSHDSACASA-N 234.343 2.741 30 20 BFED Cc1c(NC(=O)CC#N)cccc1-c1ncco1 334760197 AOLNXGKSIQUVCW-UHFFFAOYSA-N 241.250 2.502 30 20 BFED Cc1ccc(NC(=O)NCC2(C#N)CCC2)cc1 334917874 KEFHHFHMHFFUMU-UHFFFAOYSA-N 243.310 2.810 30 20 BFED C=C(C)C(C)(C)C(=O)Nc1cccc2nccn12 335098802 XWVUVORJJDOYSA-UHFFFAOYSA-N 243.310 2.875 30 20 BFED C=C(C)C(C)(C)C(=O)Nc1cncc(C)c1 335098941 IAHAWEFFPIMOHA-UHFFFAOYSA-N 218.300 2.931 30 20 BFED N#CCCC1CCN(C(=O)[C@H]2CC=CCC2)CC1 335502262 XSBPBLYBSUUOHV-AWEZNQCLSA-N 246.354 2.885 30 20 BFED CC[C@](C)(C#N)C(=O)N1CCc2cccc(F)c21 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228.311 2.715 30 20 BFED CN(CC(C)(C)C#N)c1nc2cccc(F)c2o1 599081545 OOVIYGADBWNJGI-UHFFFAOYSA-N 247.273 2.953 30 20 BFED C[C@H](C#N)CNC(=O)C[C@@H](C)C1CCCCC1 609525510 MBUZZFBYRWUWEO-VXGBXAGGSA-N 236.359 2.869 30 20 BFED CC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(C#N)c1 610335863 QQDQSRFTVZJYMK-MNOVXSKESA-N 245.326 2.717 30 20 BFED N#CCCCCNC(=O)N1C2CCCC1CCC2 610350199 IWBULDNXPICMPX-UHFFFAOYSA-N 249.358 2.797 30 20 BFED N#C[C@@]1(F)CCN(Cc2sccc2Cl)C1 618820713 GXHZVMQGFJKQOU-JTQLQIEISA-N 244.722 2.839 30 20 BFED C=CCC1(NC(=O)CC[C@H](C)OC)CCCC1 619111063 OJEKCVFQGNLSEG-LBPRGKRZSA-N 239.359 2.807 30 20 BFED C=CCC(C)(C)C(=O)NC[C@@H](CCC)OCC 628342069 ZPXFSJZZCPPMRK-GFCCVEGCSA-N 241.375 2.910 30 20 BFED C=C(C)C(C)(C)C(=O)Nc1conc1C 640480104 HIJCHMDMHVIWLH-UHFFFAOYSA-N 208.261 2.524 30 20 BFED C=CCN(CC1CCCCC1)C[C@H]1CCNC1 647884922 LBWHHIKAZIMHAV-HNNXBMFYSA-N 236.403 2.664 30 20 BFED C=CCCCCCN(C)C(=O)CCC(C)(C)N 648085592 MOVGLEQNXPKRJT-UHFFFAOYSA-N 240.391 2.709 30 20 BFED 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239.388 2.593 30 20 BFED CC(C)=CC(=O)N[C@@H](C)c1cccc(C#N)c1 743777919 ZJIUBBMLCAIULM-NSHDSACASA-N 228.295 2.702 30 20 BFED CCCC(=NOCCOC)c1ccccc1 748790937 CVGCVOSNXFJQQH-UHFFFAOYSA-N 221.300 2.854 30 20 BFED C#CCN(C)[C@H]1C[C@@H](OCCCC)C1(C)C 752313168 AGIZWDPEHMWWJM-QWHCGFSZSA-N 223.360 2.535 30 20 BFED CC(=NO[C@H]1CCCCO1)c1occc1C 755825589 YJOFVLQYBVYCRM-NSHDSACASA-N 223.272 2.855 30 20 BFED CCC(=NNc1cccc(C)c1)c1ccn(C)n1 758067775 DCWKPPZIGNTIMU-UHFFFAOYSA-N 242.326 2.955 30 20 BFED CCON=Cc1ccc(F)c2cccnc12 759193741 QFBZSYRIDXBMTM-UHFFFAOYSA-N 218.231 2.744 30 20 BFED CC#CC(=O)N(C)[C@@H](C)c1cc(F)ccc1F 764171298 LIYVIVOYOUNYBV-VIFPVBQESA-N 237.249 2.508 30 20 BFED CO[C@H](C)C(C)=NNCc1ccc(Cl)cc1 764717068 DNAZONWZBDPFPU-SNVBAGLBSA-N 240.734 2.840 30 20 BFED CCCCCCCN(C)Cc1ncc[nH]1 767118007 VOCFAAYDDXRGRM-UHFFFAOYSA-N 209.337 2.812 30 20 BFED Cc1cc(CN(CC#N)C2CC2)cnc1Cl 769098529 QAIGGEGSXNHNQS-UHFFFAOYSA-N 235.718 2.531 30 20 BFED C#C[C@@H](C)N(C)Cc1cccc(Cl)c1 769975751 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Cc1ccc(COC(=O)C2(C#N)CC(C)C2)cc1 767429877 AXTIRSIVUGBNAT-UHFFFAOYSA-N 243.306 2.978 30 20 BFED CCON=Cc1cccc(OC)c1OC(F)F 767469011 JGWRTNYXVAYHMC-UHFFFAOYSA-N 245.225 2.667 30 20 BFED C#CCC(C)(C)C(=O)O[C@@H](C)c1ccncc1 767651047 BYWGFOHUARDDGV-NSHDSACASA-N 231.295 2.735 30 20 BFED C[C@H]1CCC[C@@H](COC(=O)c2cc(C#N)c[nH]2)C1 771004084 RMUULDGZQGSNNR-WDEREUQCSA-N 246.310 2.869 30 20 BFED CCCNN=CCCc1ccc2c(c1)CCO2 774369242 HBFKUTYQUIRTOF-UHFFFAOYSA-N 232.327 2.540 30 20 BFED Cc1cccc(NN=Cc2ccc(F)nc2)c1 777419247 XQDGDJIVOBBMRB-UHFFFAOYSA-N 229.258 2.975 30 20 BFED Clc1ccnc(NN=CC[C@H]2CCOC2)c1 777906018 PENRNVVFTNLGMI-VIFPVBQESA-N 239.706 2.559 30 20 BFED CC(C)(C#N)CC(=O)OC1CCCCC1 778082386 DBVYCMDGKVJEAD-UHFFFAOYSA-N 209.289 2.802 30 20 BFED N#CC1(COC(=O)C[C@H]2C=CCCC2)CC1 778402484 RUSZNEDDUNGVKU-NSHDSACASA-N 219.284 2.580 30 20 BFED C[C@H](C=NN=c1cc[nH]cc1)c1ccc(F)cc1 779809474 PASWQXSICOIMIT-LLVKDONJSA-N 243.285 2.844 30 20 BFED C#CCCCCCC(=O)NCC1(C2CC2)CC1 779940236 OTHCMAKMCKLJNZ-UHFFFAOYSA-N 233.355 2.877 30 20 BFED CC[C@H](C)[C@H](C)C(=O)OCCCCC#N 780242747 ALNIPCOEGHUVDB-QWRGUYRKSA-N 211.305 2.906 30 20 BFED COc1ccc(NN=C[C@H]2CC=CCC2)nc1 780269630 TXIKLUOXLXKYGJ-NSHDSACASA-N 231.299 2.844 30 20 BFED CCc1ccccc1COC(=O)C1(C#N)CCC1 782273022 JZMVSYUAQOWIAK-UHFFFAOYSA-N 243.306 2.986 30 20 BFED CCCCS[C@@H](C)C(=O)OCC1(C#N)CC1 785751194 AWTLJISZWQTARJ-JTQLQIEISA-N 241.356 2.755 30 20 BFED CC(CCc1ccco1)=NOC[C@@H]1CCOC1 788033723 LOEJFACPDKPQNZ-GFCCVEGCSA-N 237.299 2.641 30 20 BFED CC(C)CC(=NN[C@@H]1CCOC1)c1ccccc1 788446974 MMEYUSJKYVRORJ-CQSZACIVSA-N 246.354 2.815 30 20 BFED CC[C@@H](C)NN=C/C=C\c1ccccc1[N+](=O)[O-] 790183954 PVDWCSVEZHXDDY-VQAKHOFPSA-N 247.298 2.982 30 20 BFED Cc1noc(C)c1/C=C\C(=O)c1ccnc(F)c1 794720771 UHKLQVXTMOFQSQ-ARJAWSKDSA-N 246.241 2.722 30 20 BFED C[C@@H](C#N)OC(=O)[C@@H](F)CC1CCCCC1 796208746 LUNRPXBQMKFKAC-ONGXEEELSA-N 227.279 2.750 30 20 BFED C=CCOCCOC(=O)C1(CC)CCCC1 797309859 MWZMDXBFFXFXFZ-UHFFFAOYSA-N 226.316 2.703 30 20 BFED C=CCCOCC(=O)OC[C@H](C)CC(C)C 798606791 NTGMFEBSJCUNMQ-GFCCVEGCSA-N 228.332 2.805 30 20 BFED CC(C)C[C@@H](C)COC(=O)c1c[nH]c(C#N)c1 798661646 HHOSKNUCCIYUEG-SNVBAGLBSA-N 234.299 2.725 30 20 BFED C=C[C@H](OC(=O)c1c[nH]c(C#N)c1)C(C)(C)C 798902243 WKOFAPDAZCLZRP-NSHDSACASA-N 232.283 2.644 30 20 BFED Cc1ccc(C(=O)OC2CCCC2)cc1C#N 799292971 RWMZFTFAZQTBPM-UHFFFAOYSA-N 229.279 2.966 30 20 BFED Cc1cccc2c1CCN(c1cc(C#N)ccn1)C2 804432311 YQZNTJGTRYXPMB-UHFFFAOYSA-N 249.317 2.824 30 20 BFED CS/C=C/C(=O)Nc1scc(C)c1C#N 809002721 KCJWMRXMNHPTSV-ONEGZZNKSA-N 238.337 2.743 30 20 BFED CN(C)[C@@H]1CCCC(=NOCCC2CC2)C1 814246133 UFBLYCAPICMXIW-CYBMUJFWSA-N 224.348 2.663 30 20 BFED CCOC1CC(=NNc2ccccc2[N+](=O)[O-])C1 814685330 GIDGCYYKMBFNFP-UHFFFAOYSA-N 249.270 2.562 30 20 BFED CCCNN=C1CS[C@@H](C(C)(C)C)C1 814804161 CIBIOTIEPADAIG-SNVBAGLBSA-N 214.378 2.894 30 20 BFED Cc1cc(F)ccc1NN=CC1(C)COC1 814884999 IKUDORWKMRXWRW-UHFFFAOYSA-N 222.263 2.568 30 20 BFED Fc1ccc2c(c1)OCC2=NNC1CCCCC1 814910860 JRVKRVHSFBAQOU-UHFFFAOYSA-N 248.301 2.845 30 20 BFED C=C[C@@H]1CCCCN1Cc1cnn(C)c1Cl 816594278 WWPDJBDIDHOFII-LLVKDONJSA-N 239.750 2.614 30 20 BFED CN(Cc1cc(F)ccc1O)CC(C)(C)C#N 816632127 UTBPVJSABXHQJE-UHFFFAOYSA-N 236.290 2.513 30 20 BFED COc1cc(Cl)ccc1C(C)=NNC1CC1 817326690 UHCBIRBLJHQNGF-UHFFFAOYSA-N 238.718 2.825 30 20 BFED C#CC(C)(C)N(C)C(=O)O[C@H](C)CC(C)C 820796194 CAHFBTZLCGXAEI-LLVKDONJSA-N 225.332 2.901 30 20 BFED C#Cc1ccc(CNC[C@@](C)(CC)OC)cc1 824743790 MJGSWZUKVXUCEX-OAHLLOKOSA-N 231.339 2.573 30 20 BFED CC[C@@](C)(CC(=O)O)NCCCC(C)(C)C#N 828658491 VXDDKNRBSABXTK-ZDUSSCGKSA-N 240.347 2.549 30 20 BFED C#C[C@@H](C)NC(=O)C1CC(C)(C)CC(C)(C)C1 832431092 KBWDOBYRNWKDLB-LLVKDONJSA-N 235.371 2.977 30 20 BFED C[C@H](CC#N)OC(=O)[C@@]1(C)CC=CCC1 835158700 JPMMKGCQTSTCQV-PWSUYJOCSA-N 207.273 2.578 30 20 BFED C#CCO[C@@H](C)C(=O)O[C@@H](C)c1ccc(C)cc1 835238446 MWJXBIZYCSXNQH-STQMWFEESA-N 246.306 2.638 30 20 BFED CSC1(C(=O)O[C@@H]2CCC[C@H](C#N)C2)CC1 839060455 VCCHHIDOUDLYCI-VHSXEESVSA-N 239.340 2.508 30 20 BFED CCCCCCCn1cnc(Cl)n1 840209721 ZYQUIEAZGSAUFD-UHFFFAOYSA-N 201.701 2.902 30 20 BFED N#CCCN[C@@H]1CCc2cccc(Cl)c2C1 840940473 ALUAAOPCJZFRQE-LLVKDONJSA-N 234.730 2.701 30 20 BFED C=C[C@@H](C)ONC(=O)NC1CCCCCCC1 844284995 ZKUOVNHYDWFEHX-LLVKDONJSA-N 240.347 2.905 30 20 BFED C=C[C@H](C)ON=C1CCOc2ccc(OC)cc21 844623158 FVPBBTOMOHAJFR-JTQLQIEISA-N 247.294 2.773 30 20 BFED C=C[C@H](C)ON=Cc1cc(C)c(O)c(C)c1 844624427 LUHGRMCGSMAANN-NSHDSACASA-N 219.284 2.934 30 20 BFED C=C(C)CONC(=O)N[C@H](C)CCC=C(C)C 845610492 KCHPOUFMPICJMC-GFCCVEGCSA-N 240.347 2.928 30 20 BFED C=C[C@H](C)ONC(=O)N[C@@H](C)c1ccc(C)cc1 845638547 KLLQUNXQJIKHSB-RYUDHWBXSA-N 248.326 2.861 30 20 BFED C=CCCSCCNC(=O)C1CC(C)(C)C1 855383784 KLFVQRREDPTAQB-UHFFFAOYSA-N 241.400 2.848 30 20 BFED Cc1cc(C)c(C#N)c(NC(=O)[C@H](F)C(C)C)n1 857639295 MQDDXNMROWIPPQ-LLVKDONJSA-N 249.289 2.503 30 20 BFED C=CC[C@@H](CC)NC(=O)c1cc(C=O)ccc1F 861513059 ZIDIQZAJPJRQNO-LLVKDONJSA-N 249.285 2.723 30 20 BFED CC(=NN[C@@H]1C[C@H]2CC[C@H]1C2)c1nc(C)cs1 863104442 GLGQTOUIXYYSSH-SDDRHHMPSA-N 249.383 2.954 30 20 BFED N#Cc1ccc(NN=C2CCC[C@@H]2F)cc1 872341655 GLRXBHAKAIQMBA-NSHDSACASA-N 217.247 2.848 30 20 BFED CC1(C)CC(=NOC/C=C/Cl)CCO1 872375096 SAZRZVQAWPFZFQ-NQCNLDHGSA-N 217.696 2.701 30 20 BFED N#CCC1(CNCc2cccc(Cl)c2N)CC1 877494446 LJJLBKVSPANDKJ-UHFFFAOYSA-N 249.745 2.706 30 20 BFED C=CC(C)(C)CC(=O)N(C)Cc1cccc(O)c1 878321891 JOQBKOBJRATDMP-UHFFFAOYSA-N 247.338 2.953 30 20 BFED C=C(C)CCNC(=O)c1cnc(C(C)C)nc1C 880200106 RIQYFZRZOCPFFC-UHFFFAOYSA-N 247.342 2.604 30 20 BFED C=C(Cl)CN(CC)[C@H](CO)c1ccccc1 880459594 HRKMNFFHDIXNOE-CYBMUJFWSA-N 239.746 2.794 30 20 BFED Cc1ccc(NCC2CCSCC2)c(C#N)n1 881980715 BDVDWHFVXSYZAM-UHFFFAOYSA-N 247.367 2.817 30 20 BFED FC(F)(F)CON=Cc1ccc(Cl)cn1 884440760 QNYABRZTUJLJMA-UHFFFAOYSA-N 238.596 2.648 30 20 BFED Cc1c(C#N)c(N2C[C@H]3C[C@@H]3C2)nc2ccccc12 884591586 VDZDQKLWUURULS-VXGBXAGGSA-N 249.317 2.871 30 20 BFED C=C1CCC(C(=O)N(C)[C@H](C)C2CC2)CC1 887894543 DGOIPOHCWVWMFH-LLVKDONJSA-N 221.344 2.990 30 20 BFED C#CCSCC(=O)Oc1cccc(CC)c1 892445613 VYBUZYPRGVBBHU-UHFFFAOYSA-N 234.320 2.521 30 20 BFED C=CC1(OC(=O)c2cccc(OC)c2)CC1 893367089 UGSZWZGLLIJXBP-UHFFFAOYSA-N 218.252 2.571 30 20 BFED C=C1CC(c2noc([C@@H]3CCC(=O)C[C@@H]3C)n2)C1 896883457 IDEVRIMWCFZWTM-JOYOIKCWSA-N 246.310 2.976 30 20 BFED C#Cc1ccc(N[C@H]2CCO[C@H](C)C2)cc1 898505065 KNOKAVWNWQPDDF-RISCZKNCSA-N 215.296 2.647 30 20 BFED C=CC[C@@H](C)NC1C[C@@H]2CC[C@H](C1)N2C1CC1 903119822 KBXGKVHTQMWCPC-IKKMQULASA-N 234.387 2.698 30 20 BFED CCC(C[C@@H](C)CC)=NNC(=S)NC1CC1 915944372 GHCGYOIXJONMTN-VIFPVBQESA-N 241.404 2.815 30 20 BFED C(=NNCCN1CCCCC1)C1CCCCC1 915973511 KGYDXGYGIZZRIP-UHFFFAOYSA-N 237.391 2.628 30 20 BFED CC(=NNc1ccccn1)c1nc(C)sc1C 916276057 IINGERIOISERII-UHFFFAOYSA-N 246.339 2.991 30 20 BFED Cc1ccc2c(c1)CCC2=NNc1ncccn1 921257487 CRLPBCKALIGYTR-UHFFFAOYSA-N 238.294 2.547 30 20 BFED C[C@H]1C[C@H](N[C@H](C)CC(C)(C)C#N)CN1C1CC1 925242969 IKEJCTFKEHHTIH-AGIUHOORSA-N 249.402 2.530 30 20 BFED C=C(Cl)CN[C@@H]1CCCC[C@@H]1CCCO 925437089 JNIZNNYNOPITID-VXGBXAGGSA-N 231.767 2.660 30 20 BFED C#CCN(C(=O)c1ccsc1Cl)C(C)C 928623368 RHVUKAHIHOSCCJ-UHFFFAOYSA-N 241.743 2.885 30 20 BFED C#CCCCN(OC)[C@@H](C)c1csc(C)n1 931542183 HIUFPKHXVPFUNB-JTQLQIEISA-N 238.356 2.789 30 20 BFED CC(C)(C)ON=Cc1csc([N+](=O)[O-])c1 1116409216 UHCMAACLRLYSMI-UHFFFAOYSA-N 228.273 2.805 30 20 BFED CC1(C)CCC1=NNc1ccc(C#N)cn1 1119362369 DLLSUUDTEJTXTC-UHFFFAOYSA-N 214.272 2.541 30 20 BFED C=C(C)CCOC(=O)[C@@H]1C[C@H]1c1ccncc1 1122749102 GIDLDEBIZUUVCR-QWHCGFSZSA-N 231.295 2.695 30 20 BFED C=C(CC(C)C)C(=O)N1CCC[C@@H]1c1ncc[nH]1 1123782535 LAXXVJVHKDAZRC-GFCCVEGCSA-N 247.342 2.676 30 20 BFED N#Cc1cccc(NC(=S)NCC2CCC2)c1 1197670765 FSQRVHOEZQSMBW-UHFFFAOYSA-N 245.351 2.645 30 20 BFED COC(=O)c1cccc(C=NOC(C)(C)C)c1 1319576765 HNPRXZRAXFMBBO-UHFFFAOYSA-N 235.283 2.622 30 20 BFED C=C[C@@H](COC)NCc1ccc(C2CC2)cc1 1325501020 ALHUOQCFMQYKCN-HNNXBMFYSA-N 231.339 2.855 30 20 BFED C#CCCCC(=O)NC[C@H]1CCC[C@H]1CC 1330649157 SYUWFIRVPJWAGT-CHWSQXEVSA-N 221.344 2.732 30 20 BFED CC(=NNc1ccc(C#N)cn1)C1CCC1 1333218777 HFQHJPYQHPLUFI-UHFFFAOYSA-N 214.272 2.541 30 20 BFED N#C[C@H]1CCC[C@@H](NCCCC(F)F)C1 1334042134 ZPEJBFVCSZHJGT-VHSXEESVSA-N 216.275 2.704 30 20 BFED C=CC[C@H](N[C@@H]1CCCC(C)(C)C1)C(=O)O 1334776788 KTMWFKLYFYATRT-MNOVXSKESA-N 225.332 2.574 30 20 BFED C=C[C@H](OC(=O)/C=C\c1cn(C)cn1)C(C)(C)C 1343473202 MOZHHDWHNXIDQQ-KRZKBDHCSA-N 248.326 2.577 30 20 BFED C=C[C@@H](CC)CC(=O)[C@H](C#N)c1nccn1CC 1345644407 ZJEIPBMXLLQVDW-RYUDHWBXSA-N 245.326 2.682 30 20 BFED C=C(C)CCC(=O)OCCCSC 1345690427 BVPGJZUSVXPVFV-UHFFFAOYSA-N 202.319 2.639 30 20 BFED C=C(CC)C(=O)NCCc1c(F)cccc1F 1346190529 RAZJJJWNMNLFNA-UHFFFAOYSA-N 239.265 2.590 30 20 BFED C=C(CC)C(=O)Nc1scnc1C1CC1 1346721153 AFKKFMPRARONLA-UHFFFAOYSA-N 222.313 2.925 30 20 BFED C=CC1CCN(C(=O)NC/C=C\C2CC2)CC1 1347971361 GQOUKBISKMOBAL-ARJAWSKDSA-N 234.343 2.560 30 20 BFED CC[C@](C)(C#N)c1nnc(-c2ccccc2)o1 1349955300 HRTZGQOEKQICKA-CYBMUJFWSA-N 227.267 2.928 30 20 BFED C=C[C@H](C(=O)N(C)CC(=C)C)c1ccccc1 1521721297 ATGFEJQPUMXHHB-AWEZNQCLSA-N 229.323 2.991 30 20 BFED C=CC[C@@H]1CCN1[C@H](C(=O)O)c1ccccc1F 1602855132 ICXDDOTVIRLZNV-MFKMUULPSA-N 249.285 2.602 30 20 BFED C[C@H](Sc1cccnc1C#N)c1ncccn1 1613782233 MTHMUBSZKKZTAZ-VIFPVBQESA-N 242.307 2.597 30 20 BFED C=C(C)CCCN(C1CCC1)[C@H](C)C(=O)O 1776138577 GPPAKCSGSQTDHH-LLVKDONJSA-N 225.332 2.670 30 20 BFED C[C@@H](C#N)OC(=O)CCc1c[nH]c2ccccc12 4286658 MJJRTFTYCTZXPD-JTQLQIEISA-N 242.278 2.556 30 20 BFED N#Cc1ccc(OC(=O)/C=C/c2ccco2)cc1 5576891 UQURXYOKBXDZOB-BQYQJAHWSA-N 239.230 2.770 30 20 BFED C=C(C)CNC(=S)NNc1ccc(C)cc1C 6332294 SCEHNXHMCCRRPS-UHFFFAOYSA-N 249.383 2.671 30 20 BFED CC(C)CO[C@@H](C)C(=O)Nc1ccc(C#N)cc1 19847387 IJWGUXHGDCJDJV-NSHDSACASA-N 246.310 2.558 30 20 BFED C#CCOc1ccccc1CN[C@H](C)C(C)C 20305460 WTLLWFDMYJPBQS-CYBMUJFWSA-N 231.339 2.833 30 20 BFED CC[C@@H](CC#N)NCCCN(C)c1ccccc1 36987196 OKSYSDMEMONKSA-AWEZNQCLSA-N 245.370 2.795 30 20 BFED C=C(Br)CN[C@@H](C)c1ccccn1 37681327 FKVLDDNYAUCDGP-VIFPVBQESA-N 241.132 2.641 30 20 BFED CC(C)C[C@H](C)NC[C@H](O)c1ccc(C#N)cc1 37887222 JBIZKIPDFJVQES-WFASDCNBSA-N 246.354 2.616 30 20 BFED CCOC1CCN(Cc2cccc(C#N)c2)CC1 40689413 VEILAKYSPKVDTA-UHFFFAOYSA-N 244.338 2.559 30 20 BFED CC[C@H](CNC(=O)C(C)(C)C#N)c1ccccc1 42107528 OICLDVSREWRZPD-GFCCVEGCSA-N 244.338 2.846 30 20 BFED CCCCCC(=O)N(CC)C[C@@H](C)C#N 42296857 HDUYJJOEQKVYIU-NSHDSACASA-N 210.321 2.575 30 20 BFED CC[C@@H](C#N)C(=O)Nc1ccc(OC(C)C)cc1 44814184 CYNDZBDRXVZNJU-NSHDSACASA-N 246.310 2.962 30 20 BFED CC[C@@H](C#N)C(=O)N(C)CC1CCCCC1 44824679 SEOCIGODGOTCGQ-LBPRGKRZSA-N 222.332 2.575 30 20 BFED N#Cc1ccc(NC(=O)C2CCCCCC2)nc1 53714613 ZKXAFKWOVRFLKQ-UHFFFAOYSA-N 243.310 2.862 30 20 BFED C[C@H](C#N)CNC(=O)c1csc2ccccc12 54157495 XTBWTGDGYOGXHQ-SECBINFHSA-N 244.319 2.791 30 20 BFED CC[C@@H](CC#N)NCc1ccc(OC)c(C)c1 54183777 DKPTVMPBPQKVAB-ZDUSSCGKSA-N 232.327 2.786 30 20 BFED C=C(C)CN(CC)C(=O)NCc1cccs1 57769344 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BFED C=CCn1c(S[C@@H](C#N)CC)nnc1C1CC1 127119594 YENDYEUPMUTNNS-SNVBAGLBSA-N 248.355 2.736 30 20 BFED C=C[C@@H](C)Nc1nc2ccccc2nc1C 130646327 CYPLMGORQXMISQ-SECBINFHSA-N 213.284 2.925 30 20 BFED CCC(C#N)(CC)C(=O)N[C@@H](C)CCSC 130704713 BYRQABZSEINJEP-JTQLQIEISA-N 242.388 2.574 30 20 BFED CCCCCCCCn1cnc(C#N)c1C#N 136990435 IOTDZGRECILAHX-UHFFFAOYSA-N 230.315 2.987 30 20 BFED COc1ccc(C#N)cc1CN1CC[C@@H](C)[C@H]1C 154302515 OCOOTAQOKLSNKF-VXGBXAGGSA-N 244.338 2.797 30 20 BFED C#CCCCCNC(=O)[C@H](C)c1cccc(F)c1 156054135 HEGBJMGUSCDLBQ-GFCCVEGCSA-N 247.313 2.849 30 20 BFED C=C(C)CNC(=O)Nc1c(C)noc1C1CC1 157900802 FDAAOBDWYKJJQF-UHFFFAOYSA-N 235.287 2.558 30 20 BFED C=CCOC(=O)[C@@H](c1ccccc1)C1CC1 161999402 OMCMLKCHXMEDML-ZDUSSCGKSA-N 216.280 2.909 30 20 BFED C=CCN(C(=O)c1cccc(C#N)c1)C(C)(C)C 165327616 BCOCZUABQJIHAB-UHFFFAOYSA-N 242.322 2.985 30 20 BFED CC#CCCNC(=O)[C@H]1CCCc2ccccc21 168727744 OTHXSOBLPVKYPS-HNNXBMFYSA-N 241.334 2.636 30 20 BFED C#CCCCOC(=O)c1ccc(F)c(F)c1 170714681 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218.300 2.948 30 20 BFED C=C(C)CNC1(C(=O)OC(C)(C)C)CCCC1 533378593 KWQKBSLKJVDOGY-UHFFFAOYSA-N 239.359 2.807 30 20 BFED C=CCCCN[C@]1(C)CCCC[C@@H]1C(=O)OC 537275518 ZWGWVGBQZUUWIC-TZMCWYRMSA-N 239.359 2.664 30 20 BFED C=C(CC)CN1CCOC2(CCCCC2)C1 552950347 LQAPSCPXGHOMKU-UHFFFAOYSA-N 223.360 2.988 30 20 BFED CC1(C)Cc2cccc(NCCC#N)c2O1 564202900 GNIGQKHKDQTHCX-UHFFFAOYSA-N 216.284 2.726 30 20 BFED COCCS[C@H](C#N)c1ccccc1 569868163 TZENPSXUORILFG-LLVKDONJSA-N 207.298 2.631 30 20 BFED CC(C)c1cc(N[C@@H]2CC[C@H](C#N)C2)ncn1 584347196 KYXMTKBWSAYCAI-WDEREUQCSA-N 230.315 2.704 30 20 BFED CC1(CCNC(=O)CCCCCC#N)CC1 588165690 DCZFFIDWWZPQLZ-UHFFFAOYSA-N 222.332 2.767 30 20 BFED N#CCCCCCC(=O)N1CCC(F)(F)CC1 588728219 KDTAJGNIEVMMAS-UHFFFAOYSA-N 244.285 2.718 30 20 BFED COC1(C)CCN([C@@H](C#N)c2ccccc2)CC1 595427062 WRSLFUCEQUFQIE-AWEZNQCLSA-N 244.338 2.752 30 20 BFED Cc1cccc2[nH]c(CNC[C@@H](C)C#N)cc12 597082903 NTGBQHWNFAEDOH-JTQLQIEISA-N 227.311 2.726 30 20 BFED CC1(C(=O)Nc2cc(F)cc(C#N)c2)CCC1 601715714 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20 BFED CCCCCCCN(C)CC(=O)N1CCCC1 740873444 AFNPTIXGZLKLTE-UHFFFAOYSA-N 240.391 2.511 30 20 BFED CC#CCOC(=O)C(C)(C)Cc1ccccc1 745057543 CIRIVIHWWNQMET-UHFFFAOYSA-N 230.307 2.822 30 20 BFED C=C(C)COC(=O)c1c(F)cccc1OC 745312392 YPWLUTFLTVBVPK-UHFFFAOYSA-N 224.231 2.567 30 20 BFED N#CCCN(CC1CC1)C[C@H]1CC1(Cl)Cl 749117085 QQEJGSBYDBMLRB-SNVBAGLBSA-N 247.169 2.806 30 20 BFED C=CCNC(=S)NN=C(C)CC1CCCC1 752717227 AFFIBPFYIGXTKE-UHFFFAOYSA-N 239.388 2.593 30 20 BFED CC(CC1CCCC1)=NNc1cnccn1 752723652 LQDVZUGSOZKPIS-UHFFFAOYSA-N 218.304 2.845 30 20 BFED C#C[C@H](CC)NC(=O)N[C@H](C)CCCC(C)C 753059570 GYJYJLRSKBIUJQ-CHWSQXEVSA-N 238.375 2.912 30 20 BFED CC[C@@H](C#N)OC(=O)/C=C(\C)C(C)(C)C 753434840 ZGPZVWNSRHNVQY-PCYYEKQGSA-N 209.289 2.824 30 20 BFED Cc1ccc(NN=CC2CCOCC2)cc1 755465813 PSPXCEMAXBIQSJ-UHFFFAOYSA-N 218.300 2.819 30 20 BFED C=C(C)COC(=O)c1cccc2[nH]ccc12 757049426 QFMBWMPKHJZFQZ-UHFFFAOYSA-N 215.252 2.901 30 20 BFED CON=C(C)c1c(Cl)cccc1[N+](=O)[O-] 758105457 VNNIXHGCSWERET-UHFFFAOYSA-N 228.635 2.619 30 20 BFED CC#CCCOC(=O)c1ccc(Cl)o1 760288660 CGNSOAYMJLMECT-UHFFFAOYSA-N 212.632 2.503 30 20 BFED CC[C@](C)(C#N)NC(=O)C(F)=C1CCCC1 763029507 FNWXJUBUBDPDJQ-GFCCVEGCSA-N 224.279 2.592 30 20 BFED Fc1ccccc1CCNN=Cc1ccco1 764723684 RNUIQWAZKWPNGD-UHFFFAOYSA-N 232.258 2.585 30 20 BFED C#CCCN(CC(F)(F)F)C(=O)CC(C)(C)C 767164158 AVVAWEQQJPEWRX-UHFFFAOYSA-N 249.276 2.837 30 20 BFED Cc1nc(C=NNc2cccc(C#N)c2)cs1 767359080 FXRYADBWMBFGHL-UHFFFAOYSA-N 242.307 2.769 30 20 BFED Fc1cc(F)cc(NN=Cc2cncs2)c1 767777104 SFHNZADBGDWXRM-UHFFFAOYSA-N 239.250 2.867 30 20 BFED C#C[C@H](C)N(C)CCO[C@H]1CCCC[C@@H]1C 769962196 BZVOSWPACOIVMO-IHRRRGAJSA-N 223.360 2.535 30 20 BFED C#C[C@H](C)N(C)CCOc1cc(C)cc(C)c1 769975704 IJOYCBHSWVBAJE-AWEZNQCLSA-N 231.339 2.636 30 20 BFED CC(C)[C@@]1(C)C[C@@H]1C(=O)OCCCCC#N 774095439 MFNWOKPSMNHYLL-DGCLKSJQSA-N 223.316 2.906 30 20 BFED C#C[C@H](N[C@@H]1CC(C)(C)C[C@H]1C)[C@H]1CCCO1 774358389 DSWAJALACPELJG-XJFOESAGSA-N 235.371 2.582 30 20 BFED 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30 20 BFED Cc1cc(F)ccc1NC[C@@H](C#N)CCC#N 517024923 FNOIHTUHEBIXDC-LLVKDONJSA-N 231.274 2.990 30 20 BFED C=C(C)COc1cc(Cl)cc(CCO)c1 530178525 ZJPMCFCOCLYBPR-UHFFFAOYSA-N 226.703 2.830 30 20 BFED N#CCCN[C@@H]1CC[C@@H](c2cccc(F)c2)C1 570564966 RKZSIZDUBAPSQD-TZMCWYRMSA-N 232.302 2.965 30 20 BFED CC(C)C[C@H]1CCCN(c2ccnc(C#N)n2)C1 581953840 ABZPPHFOCPTASL-GFCCVEGCSA-N 244.342 2.611 30 20 BFED CC#CCCCC(=O)N(C)c1ccc(OC)cc1 582066001 MBWLADJVKGHUAI-UHFFFAOYSA-N 245.322 2.852 30 20 BFED N#CC1(C(=O)N[C@@H]2C[C@H]2C2CCC2)CCCCC1 584835021 HFYDBTGAGACGCI-QWHCGFSZSA-N 246.354 2.765 30 20 BFED N#CCCNc1ccc([C@@H]2CCOC2)cc1 591777731 PAANDRNGROFRGB-GFCCVEGCSA-N 216.284 2.516 30 20 BFED CC[C@@H](C#N)N(C)C(=O)[C@H]1CC[C@H](CC)CC1 594088513 QYBUOXNVMNZYCH-AVGNSLFASA-N 236.359 2.963 30 20 BFED C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)CC#N 595519311 WVXATDJHOQNZGG-QMMMGPOBSA-N 248.717 2.733 30 20 BFED C[C@@]1(C#N)CCCN(c2nccc3[nH]ccc23)C1 596191871 BJFCHHXGHRGBEI-AWEZNQCLSA-N 240.310 2.693 30 20 BFED 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2.884 30 20 BFED C=C(C)CCC(=O)NC[C@@H]1CCCC1(F)F 1339027558 DWPPSLYKNWOSCO-JTQLQIEISA-N 231.286 2.894 30 20 BFED C=C[C@H](C)ONC(=O)C12CCC(CC1)CC2 1339058925 CMIIACSGPWCTOG-ZBOXLXRLSA-N 223.316 2.579 30 20 BFED C#CCN(CC1CC1)[C@@H](C)c1nc(C(C)C)no1 1348448912 DUXPJFKSFKQLGF-NSHDSACASA-N 247.342 2.599 30 20 BFED C=C(C)COC(=O)C1(Oc2ccccc2)CC1 1352857541 OXXSMKHWUXDFMT-UHFFFAOYSA-N 232.279 2.717 30 20 BFED C=C(CC)C(=O)Nc1cc(C)c(O)c(C)c1 1548687201 HKZNLIBKWHRKTN-UHFFFAOYSA-N 219.284 2.914 30 20 BFED C=CC[C@@H]1CCN1[C@@H](C)c1ccc(C(=O)O)o1 1602854980 CTCRAWAGCJSDRV-VHSXEESVSA-N 235.283 2.689 30 20 BFED C=CCC[C@@H](CC)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1 1602857953 ZRADVZUFGMMVOR-NMKXLXIOSA-N 237.343 2.574 30 20 BFED CCCN(C)CCCOc1cccc(C#N)c1 34674588 ILKMRXCCRQAYKY-UHFFFAOYSA-N 232.327 2.669 30 20 BFED C=CCOc1cccc(CNC2CC2)c1 37486610 JHIMXNHMHSRHIF-UHFFFAOYSA-N 203.285 2.503 30 20 BFED CC(C)(C)CNCc1cc(C#N)ccc1F 40493754 SPNGQIWLGUWLME-UHFFFAOYSA-N 220.291 2.833 30 20 BFED 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C#CCCCC(=O)Nc1cccc(COC)c1 192065429 VHNYWRKCXMPPCT-UHFFFAOYSA-N 231.295 2.575 30 20 BFED C=CCC1(C(=O)OC[C@@H]2CCCCO2)CCC1 192115602 DFMXDSAAONQRRM-LBPRGKRZSA-N 238.327 2.845 30 20 BFED N#C[C@@H]1CCC[C@@H](NC[C@@H]2CCCS2)C1 192951227 WZGOMHKMIFJNGA-UTUOFQBUSA-N 224.373 2.554 30 20 BFED CC(C)(C)CN(CCC#N)C[C@H]1CCC=CO1 193881475 GHKOKRGVBYCGQH-CYBMUJFWSA-N 236.359 2.941 30 20 BFED CC1(C)[C@H]2CN(c3c(C#N)cccc3C#N)C[C@@H]21 195265770 TUPGXRDDHNOTQE-STQMWFEESA-N 237.306 2.522 30 20 BFED C=CCSCC(=O)OC1CCCCC1 196156401 GPSDHXFQPJMYHQ-UHFFFAOYSA-N 214.330 2.782 30 20 BFED Cc1cc(/C=C\C(=O)c2cnccn2)ccc1F 215144975 JTTSRQLOSLDXDO-HYXAFXHYSA-N 242.253 2.820 30 20 BFED C[C@H]1[C@H](C)CCCN1c1ncccc1C#N 252092566 DWTPAMKIRANXFH-MNOVXSKESA-N 215.300 2.578 30 20 BFED CN(Cc1cc(F)ccc1F)CC(C)(C)C#N 258905150 LKBSDFPPVXQQRX-UHFFFAOYSA-N 238.281 2.946 30 20 BFED N#C[C@@H](NC(=O)CC1CC1)c1ccccc1Cl 259964986 OCJWFSJHZFSQIA-GFCCVEGCSA-N 248.713 2.821 30 20 BFED C=CCC[C@H](CC)N[C@H](CCCC)C(=O)O 263435821 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30 20 BFED CC(C)(C#N)NC(=O)CCCC1CCCC1 540971757 ADWQPRMZBWXJHB-UHFFFAOYSA-N 222.332 2.765 30 20 BFED CC[C@@H](C#N)NC(=O)C[C@H]1CCCC[C@H]1C 547814097 AOZXAIOXMLIPMJ-UTUOFQBUSA-N 222.332 2.621 30 20 BFED N#CCCNC[C@@H]1SCCc2ccccc21 567605177 GSVBHSZIFGVDIT-ZDUSSCGKSA-N 232.352 2.520 30 20 BFED CC(F)(F)CNc1cc(C#N)ccc1[N+](=O)[O-] 569360147 IJSNDKIAPVDUKH-UHFFFAOYSA-N 241.197 2.534 30 20 BFED C=C[C@H](N[C@@H](C)[C@H]1CCC[C@H](C)C1)C(=O)OC 590765352 OFIGTKYEFVEQLQ-CYDGBPFRSA-N 239.359 2.518 30 20 BFED C[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)CO1 592366088 SGWHZHZIYGCMNU-BPLDGKMQSA-N 244.338 2.798 30 20 BFED C[C@@H](C#N)CN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C 592754402 HXTZPMNAVRXPJW-SDDRHHMPSA-N 236.359 2.677 30 20 BFED N#CC1(C(=O)NC2CC3(CCC3)C2)CCCCC1 593885592 SQJZNMSQLKNLEJ-UHFFFAOYSA-N 246.354 2.909 30 20 BFED CO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(C#N)cc1F 595108497 QMTAGQKURLTBMI-FZQKWOKYSA-N 248.301 2.525 30 20 BFED CC(C)CC(CC(C)C)N=c1cc(C#N)cn[nH]1 596106409 AWKYPOQMLIQZSV-UHFFFAOYSA-N 246.358 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2.977 30 20 BFED C=C(C)[C@@H](C)OC(=O)c1ccc(NC(C)=O)cc1 755994573 DLELYAIZDKTWLW-SNVBAGLBSA-N 247.294 2.766 30 20 BFED C=C(C)[C@@H](CC(=O)O[C@@H](C)CC)OCC 756473309 RSHWGMCHZRYSJB-WDEREUQCSA-N 214.305 2.699 30 20 BFED C#CCN1CCc2c(F)cc(F)cc2[C@H]1C 758751886 MKDCRHUAHSIDGJ-SECBINFHSA-N 221.250 2.517 30 20 BFED C=CCCC(=O)COC(=O)C[C@@H]1CC[C@@H](C)C1 761424161 ZHZIRQOPTMCZPA-VXGBXAGGSA-N 238.327 2.891 30 20 BFED C#CCN(CC)Cc1ccc(F)c(Cl)c1 769105655 NWGSXRRELRUNQK-UHFFFAOYSA-N 225.694 2.934 30 20 BFED C/C=C(\C)C(=O)Nc1cccc(C#N)c1C 770334015 BHEPDSHYJRLYPR-RUDMXATFSA-N 214.268 2.771 30 20 BFED C=CCOC(=O)CCCCCCC(C)=O 772082202 NDLZMMHFWSPVJJ-UHFFFAOYSA-N 212.289 2.645 30 20 BFED CC(=NN[C@@H]1CCCCC1(C)C)c1ncc[nH]1 773126590 VETOJDZTUWEJKP-LLVKDONJSA-N 234.347 2.692 30 20 BFED Cc1cc(C=NOC2CCOCC2)cc(C)c1O 774442192 NBHFHCYLOHLTCH-UHFFFAOYSA-N 249.310 2.539 30 20 BFED C=CCCC[C@H](C)NC(=O)C1=C(C)OCCC1 775925723 WHHAJAFNKLYICZ-NSHDSACASA-N 237.343 2.932 30 20 BFED Cn1ccc(C=NNc2cc(Cl)ccn2)c1 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2.816 30 20 BFED FCCON=C(c1ccccc1)C(F)(F)F 803428915 RWBNNKWEMRFIFC-UHFFFAOYSA-N 235.180 2.939 30 20 BFED C=C(Cl)COC(=O)/C=C/c1ccccc1C#N 806318748 XSDGGKBWJLPSTQ-VOTSOKGWSA-N 247.681 2.867 30 20 BFED CCCC[C@H]1CCCC1=NNc1nc[nH]n1 807998827 RKUJXPPHDBBVCX-VIFPVBQESA-N 221.308 2.563 30 20 BFED CC(C)C(=NN[C@H]1CCSC1)C1CC1 808003684 SIYWAWSVCCBSFW-JTQLQIEISA-N 212.362 2.504 30 20 BFED C#CCCc1noc(C[C@@H]2CCC[C@H]2C)n1 809397268 MCELHYRQRJETPZ-MNOVXSKESA-N 218.300 2.614 30 20 BFED C#Cc1ccccc1CC(=O)OCCC1CC1 810599891 CUHYVJBEIAGJFQ-UHFFFAOYSA-N 228.291 2.554 30 20 BFED C=CCCCCOC(=O)[C@@](C)(CC)OC 811010426 SDJICBOPRJDGHU-GFCCVEGCSA-N 214.305 2.701 30 20 BFED C#CCON=Cc1ccc2c(c1)CCC(C)(C)O2 812233239 POMQKUJXAAMKDW-UHFFFAOYSA-N 243.306 2.774 30 20 BFED CC(=NOC1CCC1)c1cccc(C#N)c1 812234984 GCYVPMKWPNTEDC-UHFFFAOYSA-N 214.268 2.851 30 20 BFED CCOc1cc(C=NOC2CCC2)ccc1O 812237196 PAFXRXMECBWDDJ-UHFFFAOYSA-N 235.283 2.694 30 20 BFED CC(CCCO)=NNc1ccccc1Cl 814690978 HLRPUSSKNIHHMM-UHFFFAOYSA-N 226.707 2.900 30 20 BFED C=CCNN=C1CC(c2ccccc2)C1 814927845 JWXURDMWGBPTLS-UHFFFAOYSA-N 200.285 2.696 30 20 BFED CC(C)(C)[C@@H](C#N)OC(=O)c1ncoc1C1CC1 816013486 QEOVMRXQYBDUMD-SECBINFHSA-N 248.282 2.647 30 20 BFED CCCCCCC(=O)N(C)CC(C)(C)C#N 817617821 GJAVRXWAFNITCP-UHFFFAOYSA-N 224.348 2.965 30 20 BFED CC#CC(=O)Nc1ccc2c(c1)C(=O)CCCC2 817688620 FNGVJPOZMAUQKS-UHFFFAOYSA-N 241.290 2.558 30 20 BFED N#C[C@H]1CC[C@@H](N[C@@H]2CCc3cccc(O)c32)C1 818355038 ANOHGODLZXGYNI-CYZMBNFOSA-N 242.322 2.661 30 20 BFED CCCNN=Cc1c(F)cc(C)cc1F 819806158 LHWISTUYMWIHQS-UHFFFAOYSA-N 212.243 2.607 30 20 BFED C=C(C)C(C)(C)C(=O)OCc1ncc(CC)o1 821448147 PRBDREJIBGZEEA-UHFFFAOYSA-N 237.299 2.883 30 20 BFED Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)cc(Cl)n1 822498416 YXSYVDZGYJVPHE-CMPLNLGQSA-N 249.745 2.825 30 20 BFED C=C1CN(C(=O)c2cc(C(C)(C)C)oc2C)C1 825129180 HMSSBTBDKVFQAR-UHFFFAOYSA-N 233.311 2.898 30 20 BFED CCCCOCCN[C@H](C)CC(C)(C)C#N 829178804 HTRYIULHHIKNSR-GFCCVEGCSA-N 226.364 2.721 30 20 BFED CC(C)(CCC#N)CNC(=O)OC1CCCC1 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30 20 BFED CCC(=CC(=O)Nc1cc(C)c(C#N)cn1)CC 847133777 UTEUFPDIFRWXSA-UHFFFAOYSA-N 243.310 2.947 30 20 BFED C=CCNC(=N)NCC12CC3CC(CC(C3)C1)C2 849000931 JIDQIDDVRWXJMQ-UHFFFAOYSA-N 247.386 2.503 30 20 BFED C=C(CC)CNC(=N)NCc1ccc(C)cc1 849038909 XVLINXFEODXQAR-UHFFFAOYSA-N 231.343 2.575 30 20 BFED C=C(Cl)CN(CC1CC1)[C@@](C)(CC)C(=O)O 851707125 TZPKWHZGVHHONO-LBPRGKRZSA-N 245.750 2.704 30 20 BFED C#Cc1cccnc1NC[C@H]1CC=CCC1 853234008 MDMWXSPKZOYYLI-LBPRGKRZSA-N 212.296 2.831 30 20 BFED CC(=NN1CCCC[C@H]1C)c1cncs1 853378899 AOGLFIFYYKKNEL-SECBINFHSA-N 223.345 2.742 30 20 BFED C#C[C@](C)(CC)NC(=O)C[C@@H](C)CC(C)C 854696943 QNRZWPJYCVCDMS-GXTWGEPZSA-N 223.360 2.977 30 20 BFED C#CCCCC(=O)NCCc1ccc(C)c(C)c1 855615533 LFKCNLAIMBGPEO-UHFFFAOYSA-N 243.350 2.766 30 20 BFED C#CCCOC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 859095062 KCAFFFODCSLPBK-UPJWGTAASA-N 235.327 2.799 30 20 BFED C#CCCCCNc1ncnc2[nH]c(Cl)cc12 865610710 WWOIRVUXJNXQPZ-UHFFFAOYSA-N 248.717 2.827 30 20 BFED C#C[C@H](OC(=O)c1coc(SC)c1)C1CC1 870255926 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2.587 30 20 BFED CC[C@@H](C#N)C(=O)Nc1ccc2ccccc2n1 1141704447 LJNULHYNZRWXRO-JTQLQIEISA-N 239.278 2.723 30 20 BFED CC(C)c1nccnc1NN=C[C@H](C#N)C(C)C 1255998370 INAIZRXFMVXCHI-NSHDSACASA-N 245.330 2.793 30 20 BFED CC(C)CNN=CCCc1ccc(F)cc1 1256730765 TWNHPOOFNOHOHR-UHFFFAOYSA-N 222.307 2.990 30 20 BFED C=CCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]1F 1262708702 LTRBBVHOYHCCRU-QWHCGFSZSA-N 233.286 2.559 30 20 BFED Cn1ccc(NN=C2CCCC23CCCC3)n1 1324206614 BJKDPHQBDSNMPO-UHFFFAOYSA-N 232.331 2.932 30 20 BFED CC[C@H]1C[C@H](C)CN1C(=O)c1csc(C#N)c1 1324707611 DXOKKFJWMHIYSF-ONGXEEELSA-N 248.351 2.880 30 20 BFED N#CC1(C(=O)NCCCC(F)F)CCCCC1 1333626224 PZSYDGPMMXDYJS-UHFFFAOYSA-N 244.285 2.622 30 20 BFED C#Cc1ccc(N[C@@H](C)c2c(C)noc2C)nc1 1337771674 DZSZWMNRFQBWCK-VIFPVBQESA-N 241.294 2.841 30 20 BFED CC[C@@H](C#N)OC(=O)[C@@H](C)OC1CCCCC1 1339329250 CJKJUVGVPUNAJV-MNOVXSKESA-N 239.315 2.570 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)NCCC1CC1 1348403352 GCHKVUXPBKMMRT-CYBMUJFWSA-N 236.359 2.927 30 20 BFED 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237.237 2.541 30 20 BFED COc1ccc(O)c(/C=N/Cc2ccco2)c1 5273459 JZYURVUNBLXPLS-RIYZIHGNSA-N 231.251 2.613 30 20 BFED N#Cc1ccnc(NCCc2cccc(F)c2)c1 37409376 JKZPFYUFAMDKBY-UHFFFAOYSA-N 241.269 2.747 30 20 BFED CC[C@H](CC#N)N[C@@H](C)c1ccc(C#N)cc1 37749466 LIDUSADURHWZRN-SMDDNHRTSA-N 227.311 2.901 30 20 BFED CC(C)C[C@H](CO)N[C@@H](C)c1cccc(C#N)c1 40776266 OYZDMINUNQLIHW-SWLSCSKDSA-N 246.354 2.616 30 20 BFED CC[C@@H]1c2ccsc2CCN1CC#N 53420919 SVKWWJTXPLROAQ-SNVBAGLBSA-N 206.314 2.581 30 20 BFED C[C@@H](CSCc1ccccc1C#N)C(=O)O 83050976 ZOTCQBTYJVEKNE-VIFPVBQESA-N 235.308 2.512 30 20 BFED COc1cc(C#N)ccc1OCCC1CC1 88490789 ATGLUUQOYGUCKK-UHFFFAOYSA-N 217.268 2.746 30 20 BFED C[C@H](CC#N)N(C)Cc1cc(F)cc(F)c1 93090416 GRLFJHQEMVLTPA-SECBINFHSA-N 224.254 2.699 30 20 BFED N#Cc1cc(F)c(NCC(F)F)c(F)c1 98000832 YWSQZGYRQHOCGL-UHFFFAOYSA-N 218.153 2.513 30 20 BFED C=CC1CCN(C(=O)[C@H](C)CCC)CC1 110362121 JYTPCHRVJQFOEE-LLVKDONJSA-N 209.333 2.847 30 20 BFED CCCCCCCN(C)C(C)(C)C(=O)O 112166092 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219.263 2.975 30 20 BFED COCCCON=C1CCc2ccc(F)cc21 795055284 KCGGRMFRMVEFAG-UHFFFAOYSA-N 237.274 2.529 30 20 BFED CC[C@@H]1CCCC[C@H]1C(=O)O[C@@H](C)C#N 796322538 CTBKLOZDYDQFEW-HBNTYKKESA-N 209.289 2.658 30 20 BFED C=CCOCCOC(=O)[C@@H]1CCCC(C)(C)C1 797312517 ZXRVZZJMOVXXMW-GFCCVEGCSA-N 240.343 2.949 30 20 BFED Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C)cc1C#N 799332831 BMDVLEUZOCGFHC-BXUZGUMPSA-N 242.322 2.785 30 20 BFED C#Cc1ccc(CNC2C[C@H](C)O[C@@H](C)C2)cc1 809630137 MYDSONKSIVJOAN-STQMWFEESA-N 243.350 2.714 30 20 BFED C#Cc1ccccc1CC(=O)N1[C@@H](C)CC[C@H]1C 810523797 MRBORUHKSVKBEM-BETUJISGSA-N 241.334 2.610 30 20 BFED CCOc1cccc(C=NOCC2CC2)c1O 814242136 UXTLGKNSSVZKEQ-UHFFFAOYSA-N 235.283 2.551 30 20 BFED C[C@H](NN=Cc1nccs1)c1ccccc1 814815382 VXRAYHQDQJKXSJ-JTQLQIEISA-N 231.324 2.828 30 20 BFED CC(C)C1CC(=NNc2ccc(C(=O)O)cn2)C1 814890086 HMJOQFOIZFAFBE-UHFFFAOYSA-N 247.298 2.614 30 20 BFED CCCCC[C@@](C)(CC)C(=O)N1CC(C#N)C1 817554642 PIPACKGNOVIYRN-CQSZACIVSA-N 236.359 2.965 30 20 BFED 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CN(CCC#N)C(=O)/C(F)=C/C1CCCCC1 798283075 BJIPAYYYAPKWJO-BENRWUELSA-N 238.306 2.792 30 20 BFED C=C1CCN(C(=O)Nc2cc(C)cc(C)n2)CC1 800904318 QVNXKXDBMPVZHG-UHFFFAOYSA-N 245.326 2.882 30 20 BFED C[C@H]1C[C@@H]1C=NNc1nccnc1C1CCC1 807994004 KGYNBSUZKXHUSY-GXSJLCMTSA-N 230.315 2.798 30 20 BFED N#Cc1nc(F)ccc1OC/C(Cl)=C/Cl 808048493 VVESNGGTFXCPLD-UTCJRWHESA-N 247.056 2.790 30 20 BFED C#Cc1ccc(CNCc2ccc(C)nc2)cc1 809424482 LOHHRNAVSIRAML-UHFFFAOYSA-N 236.318 2.661 30 20 BFED C[C@H]1C[C@H](C(=O)O)CCC1=NOCCC1CC1 814941768 UAHHIMXUWYMPKF-GXSJLCMTSA-N 239.315 2.680 30 20 BFED C#C[C@@](C)(CC)NC(=O)C[C@@H](C=C)CC 821005266 ZXFRLUNIJBAYMQ-AAEUAGOBSA-N 207.317 2.507 30 20 BFED C#CCC(C)(C)C(=O)OC[C@]1(C)C[C@@]1(F)Cl 821914922 PSYHKYYMCFSGGA-RYUDHWBXSA-N 246.709 2.894 30 20 BFED C=CCN(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)C(C)C 823096364 CVHQJRZCBQOQSR-FRRDWIJNSA-N 221.344 2.846 30 20 BFED CC#CCCCC(=O)N[C@H](C)c1ccccc1O 827941192 OYTNOLSYHZRMNJ-GFCCVEGCSA-N 245.322 2.763 30 20 BFED C=CCCCCN1CCC[C@H](c2nccn2C)C1 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241.334 2.976 30 20 BFED CC(C)CC[C@@H]1CCCN1C(=O)C#CC1CC1 837481002 SFJMUMBGJJVEPD-AWEZNQCLSA-N 233.355 2.827 30 20 BFED CCC(=NNCC(F)(F)F)[C@@H]1C[C@@H]1C 841631186 DUKUZYVJUYXVLN-NKWVEPMBSA-N 208.227 2.560 30 20 BFED C#C[C@H](OC(=O)C(C)C)c1ccc(F)cc1 842411640 LPPVNEMUBZVOMF-LBPRGKRZSA-N 220.243 2.699 30 20 BFED C=CCC(C)(C)c1noc([C@@](C)(O)CCC)n1 842505835 UIWYNFUUOCLTDO-ZDUSSCGKSA-N 238.331 2.931 30 20 BFED CCn1nccc1-c1ccc([C@H](C#N)OC)cc1 844231830 XAAGIIDQEONSMV-AWEZNQCLSA-N 241.294 2.781 30 20 BFED C=C[C@@H](C)ONC(=O)N[C@H](CC)C1CCCC1 845619976 ZGCPNRZAYSOZMP-ZYHUDNBSSA-N 240.347 2.761 30 20 BFED CCc1ccc(OC(=O)[C@@H](C#N)CC)c(OC)c1 845901024 XLTAPFMIVDLPLL-LLVKDONJSA-N 247.294 2.713 30 20 BFED C/C(=C/c1ccco1)C(=O)OCC1(CC#N)CC1 847655018 YFCPGGXWEJVEQL-LUAWRHEFSA-N 245.278 2.920 30 20 BFED C=CCOCC(=O)OC[C@H]1CCCC[C@H]1C 849726737 QNTZFRMAHGYIRQ-VXGBXAGGSA-N 226.316 2.559 30 20 BFED C=CC(C)(C)CCOC(=O)[C@]1(C)CCCOC1 851300356 RPDORPCUUZRDRP-CQSZACIVSA-N 240.343 2.949 30 20 BFED C=C[C@H](OC(=O)Cc1cscn1)C(C)(C)C 853122024 KYVLRSIRJHRCOC-JTQLQIEISA-N 239.340 2.830 30 20 BFED Cc1ccc(F)cc1NN=C1CCN2CCC[C@H]12 853393563 LHBZOQRGDZZAGF-CQSZACIVSA-N 247.317 2.770 30 20 BFED CC(C)C#CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 854179105 OXFFWPITSZKUCY-YNEHKIRRSA-N 221.344 2.587 30 20 BFED C=CCCONC(=O)[C@@H](CC=C)c1ccccc1 856033204 BHHDOBZFJZMKCO-AWEZNQCLSA-N 245.322 2.970 30 20 BFED C=C(C)COC(=O)COCc1ccccc1C 856961243 FILVCNVXXFAHQC-UHFFFAOYSA-N 234.295 2.631 30 20 BFED C#CCCOC(=O)N1CC[C@@H]1c1ccc(F)cc1 859221246 KWIZJPMVUFZEQY-CYBMUJFWSA-N 247.269 2.732 30 20 BFED C#CCCCCCCNCCc1ccoc1 877629765 AMDYPLIXGHCAIP-UHFFFAOYSA-N 219.328 2.995 30 20 BFED COc1cncc(N[C@H]2CCC[C@@H](C#N)C2)c1 877663651 DUXINOOIAPEFJJ-MNOVXSKESA-N 231.299 2.584 30 20 BFED C=C(C)COC(=O)c1cnc(C(C)C)nc1C 884840957 PFEDWYSNQLRXOE-UHFFFAOYSA-N 234.299 2.641 30 20 BFED C=C1CCC(C(=O)NC[C@H](C)C2CC2)CC1 888424217 MURGQWUOUQLEEJ-NSHDSACASA-N 221.344 2.895 30 20 BFED CCC#CCOC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 893843343 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20 BFED C=CC[C@H](CC)NC(=O)c1cnn(C2CCC2)c1 935798055 APOKAHRVBBLWTH-LBPRGKRZSA-N 247.342 2.693 30 20 BFED CO[C@@H]1CC(=NOC(C)(C)C)C12CCC2 1117782324 FQLWYJVNYRMVIR-SNVBAGLBSA-N 211.305 2.747 30 20 BFED N#Cc1ccc(NC(=O)NC/C=C\C2CC2)cc1 1117833508 XIHJVRZARORWTO-UPHRSURJSA-N 241.294 2.646 30 20 BFED CC[C@H](NCC[C@@H](C)NC)c1ccc(C#N)cc1 1118122193 QSSVZXWWZOYJKM-DOMZBBRYSA-N 245.370 2.597 30 20 BFED C=CCCC[C@H](C)OC(=O)c1ccc(C)nn1 1122875724 YVUIDQBZAMYOFM-NSHDSACASA-N 234.299 2.687 30 20 BFED Nc1ccc(C=NNc2ccccn2)cc1Cl 1319432163 ICSMWIIKQIFRKA-UHFFFAOYSA-N 246.701 2.763 30 20 BFED C#CCN(C)C(=O)c1ccc(CC)c(CC)c1 1320707608 ORVAJUVEQQKCIV-UHFFFAOYSA-N 229.323 2.517 30 20 BFED Cc1csc(CCCN[C@H]2CC[C@H](C#N)C2)n1 1321220915 NIBMTFALGHDGKU-RYUDHWBXSA-N 249.383 2.666 30 20 BFED C#CC[C@H](CO)N[C@@H]1CCC[C@H]1CCC(C)C 1331567495 WDEXSQGWHOXFGU-RRFJBIMHSA-N 237.387 2.565 30 20 BFED CCC(=NNc1ccc(C#N)cn1)C1CC1 1332012116 OHEGZLVUJNNJMI-UHFFFAOYSA-N 214.272 2.541 30 20 BFED C#CCN(Cc1csc(C2CC2)n1)CC1CC1 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BFED C=CC[C@@H]1CCN1Cc1ccsc1C(=O)O 1602855225 KHECFCOUOUANKR-SNVBAGLBSA-N 237.324 2.597 30 20 BFED C=CCON=Cc1cc(C(=O)O)c(Cl)s1 1776060075 BJJKFTSNWSNOBO-UHFFFAOYSA-N 245.687 2.636 30 20 BFED N#CCOc1ccc2ccccc2c1C=O 14071963 FXKKXLPVOUQNGS-UHFFFAOYSA-N 211.220 2.555 30 20 BFED CCCCC(=O)Oc1ccc(C#N)cc1 32180457 MMIDKFMIMXKQFT-UHFFFAOYSA-N 203.241 2.654 30 20 BFED CC[C@H](C)N(C)CCOc1ccc(C#N)cc1 34674622 ZALDIWCBPAECOQ-LBPRGKRZSA-N 232.327 2.667 30 20 BFED CCN(C[C@H](C)C#N)c1ccccc1[N+](=O)[O-] 44413313 MYZNQPFTQXNIAC-SNVBAGLBSA-N 233.271 2.581 30 20 BFED CC[C@H](C#N)C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 44823543 MGWWCEIVDSEMKY-FRRDWIJNSA-N 234.343 2.575 30 20 BFED CC(C)C(=O)N[C@H](C#N)c1ccccc1Cl 49828360 ZVKWFSXOEKBTMM-LLVKDONJSA-N 236.702 2.677 30 20 BFED C[C@H](CC#N)NC(=O)c1cc(Cl)ccc1F 50336068 HNMWFIAVCZUCRZ-SSDOTTSWSA-N 240.665 2.511 30 20 BFED CC#CCOc1ccc([C@@H](O)CC)cc1 51664063 DLJLLULRLHSYTI-ZDUSSCGKSA-N 204.269 2.532 30 20 BFED CC[C@H](C)Oc1cccc(NC(=O)CC#N)c1 51781322 KQBOBAYHAXJAMB-JTQLQIEISA-N 232.283 2.716 30 20 BFED N#Cc1nccnc1SCC1CCCC1 62836015 ZJLYLFUJJAAECK-UHFFFAOYSA-N 219.313 2.631 30 20 BFED N#CC1(NC(=O)c2ccccc2Cl)CCC1 63477137 IWGKKQCDFCAXTD-UHFFFAOYSA-N 234.686 2.516 30 20 BFED CCN(CC#N)C(=O)c1ccc2c(c1)CCCC2 68241380 AKUSMRPWWVCMEG-UHFFFAOYSA-N 242.322 2.551 30 20 BFED CCN(CC#N)Cc1cc(-c2ccccc2)no1 68958326 UYBWPYSWSFUVAD-UHFFFAOYSA-N 241.294 2.687 30 20 BFED CCC(CC)S(=O)(=O)/N=C(\O)C1CCCC1 73838329 LMSCEJGDWMFPCM-UHFFFAOYSA-N 247.360 2.652 30 20 BFED CN(CCC#N)CCSc1ccccc1 80624631 SCMHOGNSBCHVPH-UHFFFAOYSA-N 220.341 2.624 30 20 BFED CC1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 82271764 LHNHYIGUWCNCTC-UHFFFAOYSA-N 246.285 2.569 30 20 BFED C=C[C@H](O)c1ccc(OC)c(OC)c1Cl 83813609 MULYXLMYEROBHC-QMMMGPOBSA-N 228.675 2.577 30 20 BFED C=CCCCOC(=O)c1cc(C#N)cs1 83955729 LOJNPVXZEMOOCK-UHFFFAOYSA-N 221.281 2.743 30 20 BFED Cc1nsc(NC2CCCC2)c1C#N 86254440 VWHYUGKULAPUOU-UHFFFAOYSA-N 207.302 2.678 30 20 BFED CC(C)N(CCCC(C)(C)C#N)CCC(=O)O 87599969 LNNWOVJXRUZPSL-UHFFFAOYSA-N 240.347 2.501 30 20 BFED CCCN(CC1CC1)CC1(CC#N)CC1 88259352 IFPAHFFDBUAUPS-UHFFFAOYSA-N 206.333 2.802 30 20 BFED C/C=C(C)/C(O)=N/S(=O)(=O)C[C@H](C)CCC 89970598 IOVDSZQVSNHMIT-ZFZMKPAXSA-N 247.360 2.675 30 20 BFED C#CCCCCN[C@@H](C)c1ccc(F)cn1 90398769 RXCSNSSGHJFKQR-NSHDSACASA-N 220.291 2.675 30 20 BFED C=CCCC(=O)Nc1c(C)cc(C)nc1C 102224122 QBDPUMSHAIFKHJ-UHFFFAOYSA-N 218.300 2.912 30 20 BFED N#Cc1cccc(CNC[C@H]2C[C@H]3C=C[C@H]2C3)c1 103128391 HNFXXSHBPOTKBH-VBNZEHGJSA-N 238.334 2.860 30 20 BFED CCCCCCCN(CCC)CC(=O)O 104773491 BZGXQOHLWLFGLF-UHFFFAOYSA-N 215.337 2.753 30 20 BFED C=CCOc1ccccc1CNC(=O)[C@@H]1C[C@@H]1C 110425225 JQDITMPAAFNBAX-WCQYABFASA-N 245.322 2.524 30 20 BFED CCCCCCCC(=O)N1CCOC[C@H]1CC 115304207 RIYOXJSJOURJFS-CYBMUJFWSA-N 241.375 2.984 30 20 BFED C=CC[C@@H](C)NCc1csc([N+](=O)[O-])c1 116926541 VRNMFDMMNIUUOM-MRVPVSSYSA-N 226.301 2.711 30 20 BFED CN(Cc1ccc(C#N)cc1)Cc1cccn1C 125269883 YBJBYLFPAYNCPH-UHFFFAOYSA-N 239.322 2.529 30 20 BFED 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2.726 30 20 BFED C#Cc1ccc(CN(C)Cc2nccs2)cc1 787771036 KBDROWLADWWCEE-UHFFFAOYSA-N 242.347 2.756 30 20 BFED CCC(=NNc1cccc(OC)c1)c1cn[nH]c1 788979857 AVLUTSWSBUNBMI-UHFFFAOYSA-N 244.298 2.645 30 20 BFED C=C(Cl)COC(=O)C1(OCC)CCCC1 792828221 VOQFPIDNVHBCMD-UHFFFAOYSA-N 232.707 2.631 30 20 BFED CCC(=NOCCSC)C1CCOCC1 794574706 MJAXGOSZSMZHNP-UHFFFAOYSA-N 231.361 2.559 30 20 BFED Cc1ccnc(NN=C[C@@H]2CCCSC2)c1 794918742 KCDHUTWAXGYDLA-NSHDSACASA-N 235.356 2.931 30 20 BFED C#CCN(Cc1ccccc1)C[C@@H]1CC[C@@H](C)O1 796639505 LFLRXMPHZXSADC-ZBFHGGJFSA-N 243.350 2.689 30 20 BFED C=CCN1CC[C@H](SC/C(C)=C/Cl)C1=O 798372471 LZFSPWZXGWFXFK-PCYYEKQGSA-N 245.775 2.649 30 20 BFED C#C[C@H](NC(=O)[C@@H]1CCCC(C)(C)C1)C(C)C 799043289 HHZPQHDWBPVHMA-OLZOCXBDSA-N 235.371 2.977 30 20 BFED C=CCCCOC(=O)c1ccc(C)c(C#N)c1 799546428 BULMYDATSGHLBR-UHFFFAOYSA-N 229.279 2.990 30 20 BFED C/C(=C\C(=O)OCCCSCC#N)C1CC1 805418865 AARVUAYIDILFBH-MDZDMXLPSA-N 239.340 2.533 30 20 BFED C[C@@H](C[C@@H]1CCOC1)NCC(C)(C)CCC#N 806175492 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FC(F)CNN=Cc1cccc(C2CC2)c1 817326205 TXQLZZSDXCPURV-UHFFFAOYSA-N 224.254 2.753 30 20 BFED C=CCCCCCCCN[C@H](C)C1CNC1 817931557 LQMDMZDYJZUEFC-CYBMUJFWSA-N 224.392 2.711 30 20 BFED CCC[C@@H](CC)C(=O)N[C@@H](C#N)C(C)(C)C 820642423 TXEORNLARAJKNV-MNOVXSKESA-N 224.348 2.867 30 20 BFED C#C[C@H](CCC)NC(=O)N1CCC(C)=C(C)C1 820661428 RKDCXMXBIWFNCZ-CYBMUJFWSA-N 234.343 2.540 30 20 BFED CO[C@H]1CC(=NNc2ccc(C)cn2)C12CCC2 834954954 ZBGODHVKTUGJJJ-LBPRGKRZSA-N 245.326 2.747 30 20 BFED COc1cc(C=NOC(C)C)c2c(c1)C[C@@H](C)O2 834999529 CSFMAXRYBJIEGN-SNVBAGLBSA-N 249.310 2.778 30 20 BFED CC1=CCC[C@H](C)[C@@H]1C=NNc1ccncn1 835002445 VVHJUNQYFIKDIV-NWDGAFQWSA-N 230.315 2.867 30 20 BFED C#CCO[C@@H](C)C(=O)OCCC1CCCCC1 835188720 IYFJPBSEXBNJLN-LBPRGKRZSA-N 238.327 2.538 30 20 BFED CC1(C)CC=C(C(=O)O[C@@H](C#N)C2CC2)CC1 835197359 XWRXSTFXUGDWTA-LBPRGKRZSA-N 233.311 2.968 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C)[C@@H](C)CCC 835324721 SCHSKDMALZVUPE-RVMXOQNASA-N 240.343 2.945 30 20 BFED C#CCCCCCC(=O)O[C@H]1CCOC[C@@H]1C 835776789 VXQLZUQOFIPNPV-STQMWFEESA-N 238.327 2.538 30 20 BFED C=CCCCC(=O)OCc1ccncc1F 836010398 YTYXPXUTMLZRLG-UHFFFAOYSA-N 223.247 2.620 30 20 BFED C=CCONC(=O)N[C@H](C)CCC=C(C)C 838713131 IXUNZIDCFWUEQQ-LLVKDONJSA-N 226.320 2.538 30 20 BFED CC(C)SCC(=O)O[C@H]1CCC[C@@H](C#N)C1 839046336 KPOWJXAYCUITEN-MNOVXSKESA-N 241.356 2.754 30 20 BFED C=C(CC)CNc1ncc2c(n1)CCCC2 840313944 ZHVAZSJUHVSYEZ-UHFFFAOYSA-N 217.316 2.734 30 20 BFED CO[C@@H](C=NOCC(F)(F)F)CC(C)C 841630306 LCNFGISHVXDPBM-MRVPVSSYSA-N 227.226 2.612 30 20 BFED C#Cc1ccccc1CC(=O)OC/C(C)=C\C 842845948 LLTUCMUSYICMTH-QCDXTXTGSA-N 228.291 2.720 30 20 BFED C=CCNc1cc(Cl)c(OC)c(OC)c1 844616994 IYNRIQYVCMPDOW-UHFFFAOYSA-N 227.691 2.955 30 20 BFED C=C[C@H](C)ON=C(C)c1cc(C(=O)O)cs1 844621298 XYVLIPVOOQMZKV-ZETCQYMHSA-N 239.296 2.761 30 20 BFED CC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)C1CC1 849171606 ARHNHUHIDFIGHL-QENILXLESA-N 248.282 2.908 30 20 BFED C=C(Cl)CNc1cccc2c1OCCO2 849314132 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2.970 30 20 BFED CN(CCCCC1(C#N)CCC1)Cc1ncc[nH]1 930120887 KMKCIZKXCNWUBN-UHFFFAOYSA-N 246.358 2.706 30 20 BFED C#Cc1ccc(NC(=O)N2C[C@@H](C)[C@@H](C)C2)cc1 934934795 ILHZQDVQQLVIKA-TXEJJXNPSA-N 242.322 2.788 30 20 BFED Cc1sc(NC(=O)[C@H]2C[C@@H]2F)c(C#N)c1C 1120806320 YZIGKQMRRCCPCM-CBAPKCEASA-N 238.287 2.533 30 20 BFED Cc1[nH]nc(NC[C@H]2CCCC[C@H]2C)c1C#N 1178895601 RYOYWCWLXCXTSU-MWLCHTKSSA-N 232.331 2.828 30 20 BFED N#Cc1cccc(NCc2ccncc2F)c1 1180488678 SKCKBUVFRUCQGG-UHFFFAOYSA-N 227.242 2.704 30 20 BFED C=C[C@H](OC(=O)[C@H]1C[C@@H]1F)c1ccccc1 1262802530 BWICJXXLECUQMO-SRVKXCTJSA-N 220.243 2.815 30 20 BFED C=C(CC)COC(=O)Cc1c[nH]c2cnccc12 1263475666 SITQPBGGQJGRKD-UHFFFAOYSA-N 244.294 2.615 30 20 BFED C=C(CC)C(=O)NC[C@@H](OCC)c1ccccc1 1263804688 RLTKFMTVACCVDZ-CQSZACIVSA-N 247.338 2.847 30 20 BFED CC(C)C[C@H](C)NC(=O)c1csc(C#N)c1 1324474483 HXBKKXITQOZXQA-VIFPVBQESA-N 236.340 2.784 30 20 BFED CC(C)n1ccnc1C=NOC(C)(C)C 1327648259 KTAONPZTGNOQCP-UHFFFAOYSA-N 209.293 2.613 30 20 BFED 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218.275 2.561 30 20 BFED CCN(CC1CC1)c1ncc(C#N)cc1Cl 265129798 MPJFMBCRBTUKKT-UHFFFAOYSA-N 235.718 2.843 30 20 BFED C=CCNC(=O)c1ccc(OC2CCC2)cc1 266239997 OVDMNLSRRPYIIV-UHFFFAOYSA-N 231.295 2.534 30 20 BFED CC[C@H]1CN(c2ccc(F)cc2C#N)C[C@@H](C)O1 266437465 VMRFVUDBGCTRGZ-MFKMUULPSA-N 248.301 2.701 30 20 BFED C#CC[C@@H](NC(=O)C1CCC1)c1ccccc1 270553749 ZGAOBYKJIFNOMD-CQSZACIVSA-N 227.307 2.667 30 20 BFED C=CCN(C(=O)c1oc(C)cc1C)C1CC1 271593265 XGEKHLJKBUFBBR-UHFFFAOYSA-N 219.284 2.687 30 20 BFED CC(C)(C)[C@@](C)(C#N)NC(=O)CCc1ccco1 274377367 XSSPVQKOOSOHJN-CQSZACIVSA-N 248.326 2.657 30 20 BFED CC1(C)CCCN(Cc2ccccn2)[C@H]1C#N 277622646 ALTSZQHXWOOSAS-ZDUSSCGKSA-N 229.327 2.596 30 20 BFED C#CCCN[C@H](C)c1nc(C(F)(F)F)cs1 278937390 NEHLRIPYSCVJLO-SSDOTTSWSA-N 248.273 2.836 30 20 BFED CC1(C)CC[C@H]1/N=C/c1cccc(O)c1O 286418212 HCRTZZAFRMEMRY-GYBQTFJISA-N 219.284 2.705 30 20 BFED CC(C)(C(=O)NCc1ccc(C#N)cc1)C1CC1 287521120 KHJPSCVVNLHMFI-UHFFFAOYSA-N 242.322 2.611 30 20 BFED 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236.359 2.867 30 20 BFED C=CCCC(=O)NCCSC(C)(C)C 263879772 NSTLVBFLQUFXOT-UHFFFAOYSA-N 215.362 2.601 30 20 BFED C[C@@H]1[C@H](c2ccccc2)CCN1CCC#N 267614337 OVHJTDBJVCUQNF-TZMCWYRMSA-N 214.312 2.778 30 20 BFED C#CCCN1CCO[C@@H](c2ccccc2Cl)C1 269923632 VEOPCAWQPSSEGE-CQSZACIVSA-N 249.741 2.737 30 20 BFED CC[C@@H](CC#N)Nc1ccc(Cl)c(C#N)n1 273823582 DGBAWGRYDHLFSZ-QMMMGPOBSA-N 234.690 2.711 30 20 BFED CC[C@@H](CC#N)Nc1cc(C#N)ccc1[N+](=O)[O-] 274267494 PSZRVESXJUSFRF-JTQLQIEISA-N 244.254 2.571 30 20 BFED C=CCCCCNC(=O)CSCCC 274457527 ISAVHJRHZRBNDF-UHFFFAOYSA-N 215.362 2.602 30 20 BFED C[C@H](C#N)CN(C)[C@@H](C)c1cccc(C#N)c1 274993405 FBJDYCAMCLKNPE-NEPJUHHUSA-N 227.311 2.711 30 20 BFED C=CC[C@@H]1N(C(=O)c2cocn2)CCCC1(C)C 278525029 ZKULSFYRTXCYIQ-LBPRGKRZSA-N 248.326 2.882 30 20 BFED Cc1cscc1NC(=O)CC(C)(C)C#N 278787677 PXYUYZIUPMAAHF-UHFFFAOYSA-N 222.313 2.935 30 20 BFED C#CC(C)(C)N(C)Cc1cnc(Cl)s1 279338093 UMUZFHFMZPKJDD-UHFFFAOYSA-N 228.748 2.640 30 20 BFED C[C@H]1CCCCN(c2cc(C#N)ccn2)C1 287036074 WGBYUFPDMQJGJK-NSHDSACASA-N 215.300 2.580 30 20 BFED CCC[C@]1(CO)CCN(c2ccc(C#N)cc2)C1 288853400 JYXABZHNDOGXEZ-HNNXBMFYSA-N 244.338 2.547 30 20 BFED N#Cc1ccc(N[C@@H](CO)C2CCCC2)cc1 290924210 XXYBKDRDCKWEAF-AWEZNQCLSA-N 230.311 2.521 30 20 BFED CCN(C[C@@H](C)OC)[C@H](C)c1cccc(C#N)c1 291139634 CQRSVTFPZCVSPP-CHWSQXEVSA-N 246.354 2.976 30 20 BFED C=CCC(C)(C)CNC(=O)[C@@H](F)C(F)(F)F 293672232 ACTQJNVWXLBQKH-SSDOTTSWSA-N 241.228 2.605 30 20 BFED Cc1cc([C@@H](C)NCCC#N)ccc1F 298803498 DZQLWIAETKOZLD-SNVBAGLBSA-N 206.264 2.698 30 20 BFED Cc1cc(C#N)ccc1Oc1ncc(F)cn1 301792481 RRNTWINEEYZOQO-UHFFFAOYSA-N 229.214 2.588 30 20 BFED CN(/C(N)=N/CCCC1CCCCC1)C1CC1 305803014 FGSSCUAJTZOYME-UHFFFAOYSA-N 237.391 2.756 30 20 BFED Cc1cc(N[C@H]2CCS[C@@H]2C)cc(C#N)n1 308279013 OUGUZBVQLLXRRY-SKDRFNHKSA-N 233.340 2.568 30 20 BFED C=C[C@H](COC)N[C@@H]1CCC[C@H](C)[C@H]1C 308950527 OZYDJZWVBPVAKK-UMSGYPCISA-N 211.349 2.602 30 20 BFED Cc1ccnc(N[C@@H]2CC[C@@H](F)C2)c1C#N 309707004 PAFIRXTWHQINBL-NXEZZACHSA-N 219.263 2.564 30 20 BFED C=C[C@@H](COC)N[C@H](CCC(C)C)C1CC1 309950306 FSHDPADRVXHUEZ-UONOGXRCSA-N 225.376 2.992 30 20 BFED CCC1CCC(N(C)CCO[C@@H](C)C#N)CC1 310170462 PIRQZDCRHQPHEU-HSBZDZAISA-N 238.375 2.816 30 20 BFED C=CCCCCNc1cc(C(=O)OC)ccn1 310267815 HPVUXQXUSKCFDK-UHFFFAOYSA-N 234.299 2.636 30 20 BFED O/C(=N/C1CCC1)Nc1cnc2c(c1)CCCC2 329337724 QAFJALMJDCKTNW-UHFFFAOYSA-N 245.326 2.839 30 20 BFED O/C(=N/C[C@H]1CC=CCC1)c1csc(O)n1 329914371 PBYAOSVVUQBYOG-QMMMGPOBSA-N 238.312 2.510 30 20 BFED CC(C)[C@]1(C)C[C@H]1C(=O)N[C@H]1CC[C@@H](CC#N)C1 331424093 BNMLKVTVHSRLBT-ABHRYQDASA-N 248.370 2.867 30 20 BFED N#Cc1ccc(CN[C@H]2CCC[C@H](F)C2)cc1 335374021 VTBYGYBPCVRFKA-KBPBESRZSA-N 232.302 2.929 30 20 BFED N#CCC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 335389743 WDKDJIPCWDODBC-KBPBESRZSA-N 242.322 2.743 30 20 BFED CC1(C)CC[C@H]1Nc1cc(C#N)ccn1 335555461 NYPUCAKAXVDVCB-SNVBAGLBSA-N 201.273 2.554 30 20 BFED C[C@]1(F)CCN(c2ccc(C#N)cc2F)C1 335763938 JCMMNNLWYNNOPD-LBPRGKRZSA-N 222.238 2.636 30 20 BFED C=CCN(C)C(=O)Nc1cnc2c(c1)CCCC2 335802513 YUYHWGWOCPTJRR-UHFFFAOYSA-N 245.326 2.610 30 20 BFED C=C[C@H]1CCCCN1C(=O)c1cccc(C)c1O 336143089 RVGMAFFYNWAWPN-LBPRGKRZSA-N 245.322 2.881 30 20 BFED CC1(C#N)CCC(NC2CC(F)(F)C2)CC1 336209973 SPYCRCULWTWCDO-UHFFFAOYSA-N 228.286 2.846 30 20 BFED C=C[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)C1 336626737 PSLRVFULTCPRLH-JSGCOSHPSA-N 244.338 2.760 30 20 BFED CC[C@@H](C)[C@@H](C)N=c1ccc(C#N)c(C)[nH]1 336643623 BAFSGYKIKSRMPV-NXEZZACHSA-N 217.316 2.530 30 20 BFED CC[C@@H]1CCC[C@@H]1Nc1cccc(C#N)n1 336744347 USEIJHNYFDOQLQ-PWSUYJOCSA-N 215.300 2.944 30 20 BFED Cc1ccsc1CN(C)c1cccc(C#N)n1 338644436 SUSGCQZUXNMDIB-UHFFFAOYSA-N 243.335 2.960 30 20 BFED C=C(C)[C@@H](CC(=O)N1CCCC[C@@H]1C)OCC 339434010 USSYNLFDUWLIES-QWHCGFSZSA-N 239.359 2.759 30 20 BFED CC[C@H](c1ccncc1)N(CC)C(=O)[C@@H](C)C#N 343635971 HXIYDIABIDGLDV-WCQYABFASA-N 245.326 2.541 30 20 BFED CC(C)[C@H](NC(=O)[C@@H](C)C#N)c1ccccc1 345804581 VAJXFIFTDOJDMB-AAEUAGOBSA-N 230.311 2.660 30 20 BFED CC(C)(C#N)CCN[C@@H]1CCC[C@@H]1OC(F)F 348534685 PMSCOTSINFFBBQ-ZJUUUORDSA-N 246.301 2.676 30 20 BFED Cc1ccc(C#N)cc1OCC[C@@H](C)F 349232178 JCMJHJGXCHYIFR-SNVBAGLBSA-N 207.248 2.994 30 20 BFED C=C[C@](C)(CC)c1nc([C@@]2(C)CCCO2)no1 350245374 FHTGYSJOOYPAJS-CHWSQXEVSA-N 236.315 2.949 30 20 BFED C=C[C@H](C)NC(=O)Cc1cccc(Cl)c1F 355052755 HZMOUCBPZCCRSR-QMMMGPOBSA-N 241.693 2.712 30 20 BFED C[C@H](C#N)CN(C)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 356332314 YQXHGASKINVAMB-XQHKEYJVSA-N 236.359 2.677 30 20 BFED C=CCOCCCC(=O)N1[C@@H](C)CC[C@@H]1CC 357183249 FWJWVFRJNQCJKV-STQMWFEESA-N 239.359 2.759 30 20 BFED C=C(CC)CN1CC[C@@H](CN(C)CC2CC2)C1 358512498 TVUAAZPDOZWKQB-HNNXBMFYSA-N 236.403 2.616 30 20 BFED N#CCCCN1CCC[C@@H](Oc2ccccc2)C1 364223248 QOPIFUGFJAHUTJ-OAHLLOKOSA-N 244.338 2.834 30 20 BFED CC#CCCN1CCC(F)(c2cccnc2)CC1 375339137 WNWQMNGHOYFMRH-UHFFFAOYSA-N 246.329 2.756 30 20 BFED CC#CCCN1CCC(Cc2cccnc2)CC1 376376254 NLNGGMJDMYQYPD-UHFFFAOYSA-N 242.366 2.750 30 20 BFED FC(F)CNN=Cc1cc(Cl)cs1 379365322 ORDIMWZHNWZVEQ-UHFFFAOYSA-N 224.663 2.590 30 20 BFED C=C(C)CN(CC)Cc1ccc(C(=O)O)s1 382483707 RVKCZQZDAIKPFX-UHFFFAOYSA-N 239.340 2.844 30 20 BFED C=CCN(CCC)Cc1cc(C(=O)O)c(C)o1 382534162 LNAVCSFMMZSXGP-UHFFFAOYSA-N 237.299 2.684 30 20 BFED C=CCN(Cc1cc(C)c(C(=O)O)o1)C(C)C 383617887 HDWIKDKXDCNNNU-UHFFFAOYSA-N 237.299 2.683 30 20 BFED N#C[C@H]1CCC[C@H](NCCC2CCC2)C1 389931359 LBCUADRVGUKXSP-STQMWFEESA-N 206.333 2.849 30 20 BFED C#C[C@@H](NCc1cnc(Cl)c(C)c1)C(C)C 390381801 ZWLADDQNDIMASH-GFCCVEGCSA-N 236.746 2.791 30 20 BFED C=CC[C@@H](CC)N[C@@H]1CCOC(C)(C)C1 393754941 WCAXKJICDQSOCN-VXGBXAGGSA-N 211.349 2.888 30 20 BFED C#C[C@](C)(CC)NC(=O)c1cccc(C)c1 395232471 RUCGYPAYWOXUEV-CQSZACIVSA-N 215.296 2.527 30 20 BFED Cc1cc(C)c(C#N)c(N[C@H]2CS[C@@H](C)C2)n1 397846991 INWRIJYSAWTKOO-WDEREUQCSA-N 247.367 2.876 30 20 BFED N#CCC1(CNC(=O)Nc2ccccc2F)CC1 404108813 ZMRLXGNKKMQUML-UHFFFAOYSA-N 247.273 2.641 30 20 BFED C[C@H](NC(=O)CC(C)(C)C#N)[C@H]1C[C@H]2CC[C@H]1C2 408130073 AQVWPYSOGZULNN-ZDEQEGDKSA-N 248.370 2.867 30 20 BFED CCC(C)(C)CNc1ncc(C#N)cc1F 413256297 CGNLOJUREZMPER-UHFFFAOYSA-N 221.279 2.940 30 20 BFED C=CC[C@@H](CO)CNC[C@@H]1C[C@H]1c1ccccc1 417953623 BGFQICGJMBPGBE-KBMXLJTQSA-N 245.366 2.564 30 20 BFED N#CCCN[C@@H](CC(F)F)c1ccccc1 420983138 BQEFYXSMDPVVRK-NSHDSACASA-N 224.254 2.886 30 20 BFED C=C(C)C(C)(C)C(=O)N(CC)C[C@H](C)C#N 424608509 STEQIFJPGGTQIQ-LLVKDONJSA-N 222.332 2.597 30 20 BFED N#Cc1c(N[C@H]2C[C@@H]3C[C@@H]3C2)ncc2c1CCC2 425293236 BNECRZFASGDOFF-ZSBIGDGJSA-N 239.322 2.652 30 20 BFED C=C(C)CN[C@@H](c1ccccc1)C(C)(C)CO 429727301 WNNXSDFVYYQUAG-AWEZNQCLSA-N 233.355 2.912 30 20 BFED C=CC(C)(C)C(=O)N(C)Cc1cccc(C)n1 449928438 YCTAMAMXTFOPLS-UHFFFAOYSA-N 232.327 2.561 30 20 BFED Cc1csc([C@H](C)NCC2(C#N)CCC2)n1 450729194 OLJGYXRMGLWMID-JTQLQIEISA-N 235.356 2.796 30 20 BFED F[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 451185796 LUVAGDUAIKNWGX-ZDUSSCGKSA-N 237.705 2.735 30 20 BFED C=CC(C)(C)C(=O)NCc1cscc1C 451241639 KBFVYDPSHPIAEB-UHFFFAOYSA-N 223.341 2.885 30 20 BFED C=C(C)CCNC(=O)c1ccc2oc(C)nc2c1 452720041 VOBNKMYVEGUTMX-UHFFFAOYSA-N 244.294 2.832 30 20 BFED C=CC(C)(C)CNC(=O)N[C@H](C)c1ccccn1 454249873 WNFZGHRHZVSQSB-LLVKDONJSA-N 247.342 2.654 30 20 BFED C=CC[C@H](CC)NC(=O)N1CCC(CF)CC1 454901756 CBFWDKWJXWPCGP-LBPRGKRZSA-N 242.338 2.732 30 20 BFED C=C(C)CCNC(=O)N1C[C@@H](C)C[C@@H]1CC 455319157 ZMQFMBBGEQQUJG-RYUDHWBXSA-N 224.348 2.783 30 20 BFED C=C[C@@H](C)NC(=O)c1cc(C)oc1C(F)(F)F 472338751 BELBKHQGVZCHMU-ZCFIWIBFSA-N 247.216 2.911 30 20 BFED C(#Cc1ccccc1)CN1CC[C@@H]2CCC[C@@H]21 483998553 ATDXBNKNJOTWCI-HOTGVXAUSA-N 225.335 2.913 30 20 BFED C[C@@H](C#N)CN(C)Cc1cc2ccc(F)cc2[nH]1 488323541 RAMYKVWQTGAAPE-JTQLQIEISA-N 245.301 2.898 30 20 BFED C[C@@H]1C[C@H]1CN(CCC#N)CC(C)(C)C 488340248 PTFLNSGWHIXKDW-NEPJUHHUSA-N 208.349 2.904 30 20 BFED C#CCNC(=O)c1sc2cc(F)ccc2c1C 491096831 WXMFLYMCJYBQBX-UHFFFAOYSA-N 247.294 2.712 30 20 BFED C#C[C@@H](CC)NC(=O)[C@H](SC)c1ccccc1 491632734 QJUHLNPHZNUOGC-QWHCGFSZSA-N 247.363 2.619 30 20 BFED C#CCCN(CC(F)(F)F)C(=O)/C=C/C=C/C 492615576 JHPHERMGXYNPAT-VSAQMIDASA-N 245.244 2.533 30 20 BFED C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@]1(C)OC(C)C 529971455 WUWVKZUWLKZMQB-XBFCOCLRSA-N 239.359 2.661 30 20 BFED C=CC[C@H](CO)CN[C@H](C)[C@@H](C)c1ccccc1 537097677 YHYNLAPSZSNMOA-KFWWJZLASA-N 247.382 2.953 30 20 BFED CCCc1csc(CN(CC#N)CCC)n1 559143622 VUJWFLCMHMFRHN-UHFFFAOYSA-N 237.372 2.831 30 20 BFED CCOCc1ccc(NCCC#N)cc1 566063673 GSFLCYRFAVXWQS-UHFFFAOYSA-N 204.273 2.549 30 20 BFED C=CCC1(C(=O)NC[C@H](C)C#N)CCCCC1 572106264 PPBLGDUVPXVRSN-GFCCVEGCSA-N 234.343 2.789 30 20 BFED CCCN(CC#N)C(=O)[C@H]1CC[C@H](C)CC1 573005230 IBCWNRRPUIZYEB-HAQNSBGRSA-N 222.332 2.575 30 20 BFED C=C[C@@H](N[C@H](CCC)C1CCCC1)C(=O)OC 591377342 PGJGDCJOTCFOCV-CHWSQXEVSA-N 239.359 2.663 30 20 BFED CC[C@H](C#N)N(C)C(=O)[C@H]1CCC(C)(C)C1 594086494 VYVYPHAOSTYASB-WDEREUQCSA-N 222.332 2.573 30 20 BFED CC[C@H](C#N)N(C)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 594093260 NMYSBDUVMWHVQQ-AGIUHOORSA-N 248.370 2.985 30 20 BFED CN(CCOC(C)(C)C)[C@H](C#N)c1ccccc1 595357257 YOXIZVPMRNDSOZ-CQSZACIVSA-N 246.354 2.998 30 20 BFED CC[C@H]1CCCC[C@@H]1CNc1c(C#N)cnn1C 596249088 CBJYXKQCQUGDKA-NWDGAFQWSA-N 246.358 2.920 30 20 BFED CC[C@H](C)CCNc1ccnc(C#N)c1 596417007 WHCGJWLTEZHICP-JTQLQIEISA-N 203.289 2.801 30 20 BFED N#Cc1ccc(N2CC[C@@H]3C[C@@H]3C2)c(F)c1 596512894 XVFSMLSAQQEOKQ-GHMZBOCLSA-N 216.259 2.544 30 20 BFED C[C@@H](C#N)CNC(=O)CC(C1CCC1)C1CCC1 599428086 GRDIYYHCSQKOQE-NSHDSACASA-N 248.370 2.869 30 20 BFED N#CCn1cc(-c2ccc3c(c2)CCC3)cn1 600773523 SZAAGURCXADHNX-UHFFFAOYSA-N 223.279 2.562 30 20 BFED C[C@@H](CCC#N)CNCC(C)(C)CCC#N 602661668 HRINUWVWHAOHGR-LBPRGKRZSA-N 221.348 2.846 30 20 BFED CC1(F)CCN(Cc2ccc(C#N)s2)CC1 602741798 NGOVLYOWXHTLDO-UHFFFAOYSA-N 238.331 2.944 30 20 BFED CC(C)(C#N)CNC(=O)C(C)(C)C1CCCC1 611697127 ZYELXRKUYATHEX-UHFFFAOYSA-N 236.359 2.869 30 20 BFED Cc1ccc(CN2CCC[C@](C)(C#N)C2)cn1 613241508 ZFZRQZCQNKUPCF-CQSZACIVSA-N 229.327 2.516 30 20 BFED C=CC[C@H]1CCN(Cc2cc(C)c(C(=O)O)o2)C1 629366656 RHDACUYZWOMDOI-NSHDSACASA-N 249.310 2.684 30 20 BFED C=C(C)CCc1noc(-c2ncccc2OC)n1 632137126 DMSZLOFDBSFYPH-UHFFFAOYSA-N 245.282 2.649 30 20 BFED C=CCC1(NC[C@H](CCC)OC)CCOCC1 639315132 QHARBHLJIBXHFU-ZDUSSCGKSA-N 241.375 2.516 30 20 BFED C=CCNC(=O)[C@H](C)c1ccc(Cl)cc1 650988508 IHDNKNCCNBAZRX-SECBINFHSA-N 223.703 2.746 30 20 BFED C=C(C)CCNCc1nccn1C(C)C 657480588 ZQWSKMNIFLMOTF-UHFFFAOYSA-N 207.321 2.520 30 20 BFED C=CC[C@@H]1CCCC[C@H]1NC[C@@H](C)CCO 657895122 ITKIPGTTYZXXDB-BFHYXJOUSA-N 225.376 2.729 30 20 BFED C=CC[C@H]1CCCN(c2nc(C)cc(C)n2)C1 664253634 PQMJNWWUDNZYNP-ZDUSSCGKSA-N 231.343 2.886 30 20 BFED C=CCCC(C)(C)NCc1cc(COC)on1 668777979 FRSBHNMCBQHNCR-UHFFFAOYSA-N 238.331 2.655 30 20 BFED CCC[C@@H]1[C@@H](C)CCCN1CC#CCOC 677818994 NNOFGMQOUUNPSY-UONOGXRCSA-N 223.360 2.537 30 20 BFED C=CCN1C[C@H](C(F)(F)F)CC[C@@H]1C 679545497 KJDOCNZJHGRDQM-DTWKUNHWSA-N 207.239 2.835 30 20 BFED C=CCCN(C)C(=O)N(C)C(C)(C)CC 684917844 GWTGZTWVZUGKFO-UHFFFAOYSA-N 212.337 2.735 30 20 BFED C=CCCOCc1nc(-c2ccoc2C)no1 685694101 WSYJXEIURWFCMM-UHFFFAOYSA-N 234.255 2.731 30 20 BFED C#CCCCCCN[C@@H](C(=O)O)c1ccccc1 686686277 SHHOVMCHXCUGRY-CQSZACIVSA-N 245.322 2.596 30 20 BFED C#CCN(C(=O)c1ccc(CC)cc1)C(C)C 688858481 BQOIGXWAJJZOIT-UHFFFAOYSA-N 229.323 2.733 30 20 BFED CC[C@@H](C)N(C)CCN[C@H](C)CC(C)(C)C#N 695843258 PAUWNJDMCFSWAJ-CHWSQXEVSA-N 239.407 2.635 30 20 BFED C#C[C@H](NC(=O)c1c(C)oc(C)c1C)C(C)(C)C 702236094 IMMGLRBSLYBCDS-LBPRGKRZSA-N 247.338 2.983 30 20 BFED Cc1ccc(CC(=Nn2cnnc2)C(C)C)cc1 741451916 YMYAAYGAMUYNIC-UHFFFAOYSA-N 242.326 2.689 30 20 BFED COc1ccc(NN=C(C)[C@@H]2CCOC2)cc1 750920704 ATPNZOGDANBBSD-LLVKDONJSA-N 234.299 2.520 30 20 BFED C=CC[C@@H](NC(=O)/C(C)=C\C)c1ccncc1 751380615 HFVAMTQZVMFZFB-ZRVMKQEGSA-N 230.311 2.781 30 20 BFED C[C@@H](NN=CC1CCOCC1)c1ccccc1 755663662 CQZNDWQKACRBQY-GFCCVEGCSA-N 232.327 2.750 30 20 BFED CC(CCC(C)C)=NNC1CCOCC1 757597221 GJYYYWXLYDRIGH-UHFFFAOYSA-N 212.337 2.567 30 20 BFED C[C@H]1C[C@H]1C=NNCc1cc(F)ccc1F 758371774 CRIVVIMYWYAPGP-IUCAKERBSA-N 224.254 2.696 30 20 BFED C=CCC(CC=C)C(=O)OCC(=O)CC(C)C 759008683 VLZVMJNCXCTFBR-UHFFFAOYSA-N 238.327 2.913 30 20 BFED C#CCOCCOC(=O)CCCC1CCCC1 762711516 CMMLENJJXGMZLE-UHFFFAOYSA-N 238.327 2.540 30 20 BFED CCO[C@H]1CCCC1=NNc1ccc(F)cn1 766450332 IPMVKRLKCBWIHK-NSHDSACASA-N 237.278 2.578 30 20 BFED C#CCCCN(C)c1ccc(OC)c(OC)c1 766896368 RUERBUWELJFOCM-UHFFFAOYSA-N 233.311 2.553 30 20 BFED C#Cc1ccc(C(=O)OCC/C=C\CC)cn1 767534024 KLLKYKYYMIGEKH-WAYWQWQTSA-N 229.279 2.576 30 20 BFED CC(=NNCc1ccccc1)c1cscn1 767896338 FZAIXPBGVXTBOH-UHFFFAOYSA-N 231.324 2.657 30 20 BFED Fc1ccc(NN=C2CCCOCC2)c(F)c1 770591048 VVOSYUWFSGZUCU-UHFFFAOYSA-N 240.253 2.933 30 20 BFED C/C(C=NNC[C@@H](C)C#N)=C/c1ccccc1 771106056 ASLFDDDFBJZESI-KJDZLRHASA-N 227.311 2.825 30 20 BFED CCCc1cccc(C=NNc2cccnn2)c1 774387347 PYEADGUXIPFCMB-UHFFFAOYSA-N 240.310 2.875 30 20 BFED COc1ccc(C=NOC2CCCC2)cc1O 774597721 WSMNDHPVYHCLSP-UHFFFAOYSA-N 235.283 2.694 30 20 BFED CC[C@@H](C)C(=O)OCc1cccc(C#N)c1F 774898551 UILYTPWCADNGQV-SECBINFHSA-N 235.258 2.787 30 20 BFED C#CCN(CC)Cc1cc(Cl)cc(F)c1O 775663119 YVVXDAOYOKLKLV-UHFFFAOYSA-N 241.693 2.640 30 20 BFED C#CCCCN1C[C@@H](C)Oc2c(F)cccc21 775845297 PJZOGRPKZUKLIK-LLVKDONJSA-N 233.286 2.826 30 20 BFED N#C[C@H](OC(=O)c1ccoc1)C1CCCCC1 776369452 NMHMSNSVJKRKMU-LBPRGKRZSA-N 233.267 2.909 30 20 BFED C=CCN(C)C[C@@H](O)c1ccc(Cl)c(F)c1 778165074 KJZZFNOSVWFTTC-GFCCVEGCSA-N 243.709 2.630 30 20 BFED C=CCCCCCOC(=O)C[C@@H]1CCCO1 782917842 GCYYVBPNBLOKBY-LBPRGKRZSA-N 226.316 2.845 30 20 BFED Cc1cc(COC(=O)C(C)(C)F)ccc1C#N 784481594 IXBZAQFFTPFTDZ-UHFFFAOYSA-N 235.258 2.658 30 20 BFED CC(=NOC[C@H]1CCOC1)c1ccc(C)s1 788035179 YGEVDUSJZYTFEO-NSHDSACASA-N 239.340 2.834 30 20 BFED CC(=NOC[C@@H]1CCOC1)C1CCSCC1 788036853 NZIOQQXOISRNSJ-LLVKDONJSA-N 243.372 2.559 30 20 BFED CC[C@H](C)NN=Cc1ccc(N(C)C(C)C)nc1 790182899 NFZXVSRQHQRYQA-LBPRGKRZSA-N 248.374 2.648 30 20 BFED Cn1ccnc1NN=C1CC[C@@H]1c1ccccc1 790302435 SVDXIAJIJHOFSE-GFCCVEGCSA-N 240.310 2.766 30 20 BFED C#C[C@H](CCC)NC(=O)NC[C@H]1C[C@H]2CC[C@H]1C2 791022614 LPCBXHKCHBIGDA-IGQOVBAYSA-N 248.370 2.524 30 20 BFED CSCCON=Cc1cccc(C)c1 794573936 PAKLIGFBQQRJCY-UHFFFAOYSA-N 209.314 2.709 30 20 BFED C=C(C)COC(=O)C[C@@H]1CCC[C@H](OC)C1 796067289 XWKIHDIQFWWOLR-NEPJUHHUSA-N 226.316 2.701 30 20 BFED CC[C@@](C)(C#N)C(=O)O[C@H](C)c1cccnc1 797015803 HCSCBWCRULEVHS-MFKMUULPSA-N 232.283 2.626 30 20 BFED C#Cc1ccc(C(=O)OC[C@H](C)CC(C)C)cn1 798612676 XKTZSAZOWHFIJV-GFCCVEGCSA-N 245.322 2.902 30 20 BFED Cc1nc(C#N)c(NN=C[C@H]2CC[C@H](C)C2)o1 800811125 IJYAJZWXTCKYQM-WPRPVWTQSA-N 232.287 2.689 30 20 BFED COc1nccnc1NN=C[C@H](C)C(C)(C)C 800815786 NSNFKNQUZPAFGC-VIFPVBQESA-N 236.319 2.565 30 20 BFED COc1ccc(NN=C[C@H]2CC[C@@H](C)C2)nc1 800816474 LLPGLXIWCFEJTB-MNOVXSKESA-N 233.315 2.924 30 20 BFED CC[C@](C)(C#N)C(=O)O[C@@H]1C=CCCC1 803781774 JETAFVATICXLSO-ZYHUDNBSSA-N 207.273 2.578 30 20 BFED C=CCCCCCCNC(=O)N[C@@H](C)C=C 805198498 PCSKRJMBAXLLGY-LBPRGKRZSA-N 224.348 2.997 30 20 BFED N#CCOC(=O)c1csc2ccccc12 809094358 BFSOHDDNJQSJAT-UHFFFAOYSA-N 217.249 2.582 30 20 BFED Cc1ccc([C@@H](C)NC(=O)CCCC#N)s1 812479486 DLFZMZCFKDAVKP-SNVBAGLBSA-N 236.340 2.928 30 20 BFED CCO[C@@H]1CC(=NOCCC2CC2)[C@H]1SC 814245325 ONENEJAWDKFEEQ-VXGBXAGGSA-N 243.372 2.700 30 20 BFED CC(C)n1cc(C=NOCCC2CC2)cn1 814246181 UXVWTFUMYHRHRE-UHFFFAOYSA-N 221.304 2.615 30 20 BFED CC[C@@H](C)NN=C1COc2ccc(Cl)cc21 814913494 OALZWFNBSGLLSK-MRVPVSSYSA-N 238.718 2.825 30 20 BFED C=CCOCCN1Cc2ccccc2[C@@H](C)C1 815013199 RFQTZQGZGAAYMG-ZDUSSCGKSA-N 231.339 2.808 30 20 BFED C#CCCCC(=O)O[C@H]1CCC(C)(C)C1 820565461 ZYPNELHLDBQPMH-NSHDSACASA-N 208.301 2.912 30 20 BFED C#C[C@@H](NC(=O)Nc1ccc(F)c(C)c1)C(C)C 821552858 LADWGMVTGVJCCE-CYBMUJFWSA-N 248.301 2.913 30 20 BFED C#C[C@H](CC)NC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 821567423 MWHXVPMYTQBTBS-REWJHTLYSA-N 248.370 2.618 30 20 BFED C=C(Cl)CN(C)C[C@@](C)(O)c1ccccc1 823584291 DKZTVPRZTYQBHO-CYBMUJFWSA-N 239.746 2.578 30 20 BFED CC(C)CN(C(=O)C#Cc1cccs1)C(C)C 825553743 AZWFVDMHJQRMDZ-UHFFFAOYSA-N 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237.343 2.672 30 20 BFED CC[C@H](NCCC#N)c1ccc(OC)c(OC)c1 20200196 FWWGJSSWRAPXJK-LBPRGKRZSA-N 248.326 2.658 30 20 BFED CCCN(CC#N)C(=O)c1cc(C)cc(C)c1 44373038 MAECNCJSSSBLOR-UHFFFAOYSA-N 230.311 2.679 30 20 BFED Cc1ccoc1C(=O)N(CCC#N)CC(C)C 49932759 BIQNJJQGKPYKFA-UHFFFAOYSA-N 234.299 2.600 30 20 BFED C=C(C)CN(C)CCOc1ccc(OC)cc1 52661104 SKVBLPBMWLWCTB-UHFFFAOYSA-N 235.327 2.582 30 20 BFED C=CCCOCCN[C@H]1CCCC[C@H]1C 53584781 OQNBOAUKDIRRFH-OLZOCXBDSA-N 211.349 2.747 30 20 BFED CN(Cc1cc(C#N)ccc1F)CC1CCC1 61457767 BEXLSGNHANSYCL-UHFFFAOYSA-N 232.302 2.929 30 20 BFED CCN(CC1CC1)c1ccc(C#N)cc1[N+](=O)[O-] 69797873 DWTUIKDBUGTBPX-UHFFFAOYSA-N 245.282 2.703 30 20 BFED C[C@H](CC#N)N(C)C(=O)c1coc2ccccc12 70379901 LPVFIJIOBSMRGP-SNVBAGLBSA-N 242.278 2.807 30 20 BFED C=CC[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 74764092 IXXQZVFQKFOWIH-SECBINFHSA-N 221.260 2.675 30 20 BFED C[C@H](NC(=O)c1ccco1)c1cccc(C#N)c1 75267499 ISKRTMWQUILRMW-JTQLQIEISA-N 240.262 2.642 30 20 BFED C=CC[C@@H](C)NC(=O)c1cccc2cc[nH]c12 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C=C(Cl)CNC(=O)c1cccc2cc[nH]c12 127386577 RFOZKNWKUMVLBF-UHFFFAOYSA-N 234.686 2.650 30 20 BFED Cc1cc(C(=O)NC(C)(C)C#N)ccc1Cl 129241484 GHHSAZIDRMAVHF-UHFFFAOYSA-N 236.702 2.680 30 20 BFED CC[C@H](C)N(C)Cc1cc(C#N)ccc1OC 130398607 DHUVYCFFLZKESE-NSHDSACASA-N 232.327 2.797 30 20 BFED CC(C)OCCCNCc1ccc(C#N)s1 135495260 DPHDEGYSERWMTP-UHFFFAOYSA-N 238.356 2.524 30 20 BFED CC[C@@](C)(C#N)C(=O)N[C@@H](C)CCC(C)C 136254764 LWJCNLNXLAQXET-AAEUAGOBSA-N 224.348 2.867 30 20 BFED C=C(Br)COC(=O)c1ccccc1 140434792 YBTXEQCKKULBQP-UHFFFAOYSA-N 241.084 2.752 30 20 BFED O=[N+]([O-])c1ccc(Cl)cc1CS 149395184 PJVAXDJVYQWQPR-UHFFFAOYSA-N 203.650 2.678 30 20 BFED CC[C@H](C)CO/N=C(/N)c1ccc(F)c(F)c1 153420498 QGIKOMFUKBHOQB-QMMMGPOBSA-N 242.269 2.648 30 20 BFED CC[C@H](C)NC(=O)c1ccc(C#N)c(Cl)c1 153465221 OQOYVPGGGPJYPJ-QMMMGPOBSA-N 236.702 2.740 30 20 BFED N#CCSc1ccc(C#N)cc1Cl 154163304 PKCQCUYXTKCCQH-UHFFFAOYSA-N 208.673 2.827 30 20 BFED C=CCN(C)Cc1cc(F)c(F)c(F)c1 154555354 IMOHSDAMMQNBQK-UHFFFAOYSA-N 215.218 2.722 30 20 BFED C#CCNc1cccc(CC(=O)OC(C)(C)C)c1 154957306 RCIOLBWQQFUECY-UHFFFAOYSA-N 245.322 2.616 30 20 BFED CC[C@H](CC#N)NC(=O)Nc1cccc(C)c1F 158673429 XWGBNLYYTDWTTJ-SNVBAGLBSA-N 249.289 2.948 30 20 BFED CCCCCCCCNC[C@@]1(OC)CCOC1 160087457 JOUIGMMTOBHTKI-AWEZNQCLSA-N 243.391 2.742 30 20 BFED C=CCOC(=O)C(F)(F)c1ccc(OC)cc1 161522929 UAZTVKFPHZDAOG-UHFFFAOYSA-N 242.221 2.516 30 20 BFED C=CCN(C)C(=O)CCc1cccc(F)c1F 161929222 NTNDRNFWEJTLDO-UHFFFAOYSA-N 239.265 2.542 30 20 BFED C=CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 162200903 IPDYXCLKENIDHF-JTQLQIEISA-N 220.272 2.822 30 20 BFED C#C[C@H](C)NCc1c(F)cccc1Cl 166481668 XRYJFKZYYZFTAF-QMMMGPOBSA-N 211.667 2.590 30 20 BFED C#CCCCOc1ccc(CC)cc1[N+](=O)[O-] 169039178 BPGVRUBJATUKHE-UHFFFAOYSA-N 233.267 2.949 30 20 BFED CC[C@@H](C#N)NC(=O)c1cccc(C(F)F)c1 171484557 CAWQTTCHOMKJAQ-JTQLQIEISA-N 238.237 2.656 30 20 BFED C=CCOC(=O)c1cccc(C(F)F)c1 171567985 UDPYDZSTFCHVFI-UHFFFAOYSA-N 212.195 2.967 30 20 BFED CCCNC(=O)[C@@H](C)Sc1cccc(C#N)c1 177106570 PPSZDNKYGSTFLQ-SNVBAGLBSA-N 248.351 2.565 30 20 BFED N#Cc1cc(C(=O)NCCC2=CCCCC2)c[nH]1 181145696 UIUOZUDYGPPKKB-UHFFFAOYSA-N 243.310 2.507 30 20 BFED C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CC#N)C1 187366569 SUEJGZNMACYIKN-MFKMUULPSA-N 246.285 2.649 30 20 BFED C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1 187739957 FGJLSDKKKDGJIJ-HNNXBMFYSA-N 247.338 2.532 30 20 BFED Cn1cc(CN2C[C@H]3CCCC[C@@H]3C2)cc1C#N 191368873 HTQYHVBYVNNDNH-ZIAGYGMSSA-N 243.354 2.519 30 20 BFED C#CCCCC(=O)N[C@H](C)CCCCC 192048111 MFJWXHZJKKLWGH-GFCCVEGCSA-N 209.333 2.875 30 20 BFED C[C@H]1CCN(Cc2cccc(C#N)c2)CCS1 192168385 CYAKCJBNEFWNIH-LBPRGKRZSA-N 246.379 2.886 30 20 BFED Cc1ccc(Cl)cc1C(=O)N[C@@H](C)CC#N 228447998 KMVRIJCLCDXRMJ-VIFPVBQESA-N 236.702 2.680 30 20 BFED N#Cc1ccnc(Nc2ccccc2Cl)n1 231896010 HXEVGKBJMQXFIR-UHFFFAOYSA-N 230.658 2.745 30 20 BFED CC(C)c1ccccc1NC(=O)NCCC#N 243344681 LUVYMRYOGSDAGO-UHFFFAOYSA-N 231.299 2.845 30 20 BFED C=CCC[C@H](CCC)NC[C@@H]1CC[C@@H](O)C1 248973979 DEAKDNYCKJQIGA-HZSPNIEDSA-N 225.376 2.872 30 20 BFED CC[C@](C)(C#N)C(=O)N1CC[C@@H](C)C[C@H]1C 252503445 MGTMPNNTBFRTMX-NQBHXWOUSA-N 222.332 2.573 30 20 BFED C=CCN1CCN(C/C=C\c2ccccc2)CC1 255424638 FHWMVNCRNSVUOI-TWGQIWQCSA-N 242.366 2.503 30 20 BFED CC[C@H](C)N/C(N)=N/CC[C@@H](C)c1ccccc1 264109382 QMQYYMHOUSBOQK-OLZOCXBDSA-N 247.386 2.883 30 20 BFED C#CC[C@H](N[C@H](C)[C@@H](C)OC)c1ccccc1 271432955 DHODSUOTRDEXSI-NFAWXSAZSA-N 231.339 2.764 30 20 BFED C=C1CCN(Cc2cc(F)ccc2O)CC1 272328310 VPIDMBXBRCDMKX-UHFFFAOYSA-N 221.275 2.683 30 20 BFED CCCN(CCc1cccc(F)c1)C(=O)CC#N 274666230 IBNQKXMULZZQBM-UHFFFAOYSA-N 248.301 2.520 30 20 BFED C#C[C@H](C)NC(=O)NC[C@@H](CC)c1ccccc1 274786031 KJDUHJMPTVOSRA-QWHCGFSZSA-N 244.338 2.501 30 20 BFED C#CCN(CC)C(=O)[C@@H](CC=C)c1ccccc1 275015305 OGBFMOFBIZDNLG-HNNXBMFYSA-N 241.334 2.828 30 20 BFED COC1CCN([C@H](C)c2cccc(C#N)c2)CC1 275061064 HUDPNBGPRZHESL-GFCCVEGCSA-N 244.338 2.730 30 20 BFED CC#CCCN(C#N)c1ccccc1F 281252065 GYFWBDIZSQNQCT-UHFFFAOYSA-N 202.232 2.527 30 20 BFED CC#CCNC(=O)Nc1nc(C2CCC2)cs1 283019206 NXHTUBXOLPMYJN-UHFFFAOYSA-N 249.339 2.555 30 20 BFED C#CCN(Cc1ccccc1)C(=O)C1CCCC1 286226423 CDEQCTUTLIOEQR-UHFFFAOYSA-N 241.334 2.839 30 20 BFED CC(C)[C@H](C)C(=O)Nc1ccc(C#N)c(F)c1 291454241 INEWQJDPXCUUBW-VIFPVBQESA-N 234.274 2.928 30 20 BFED C=CCN(CCC#N)C(=O)C1C(C)(C)C1(C)C 292232796 CXXGKBPZFOEOGF-UHFFFAOYSA-N 234.343 2.597 30 20 BFED COc1ccc(CNC2(C(C)C)CC2)cc1C#N 293162979 VTCVMXXYUUZODT-UHFFFAOYSA-N 244.338 2.845 30 20 BFED C#CCCOc1ccc(C(=O)N(C)C(C)C)cc1 294308467 JELUEDNFGJPYHM-UHFFFAOYSA-N 245.322 2.569 30 20 BFED Cc1cccc2cc(C(=O)N(C)CCC#N)oc12 299494333 JGPOIQRUHONLCB-UHFFFAOYSA-N 242.278 2.727 30 20 BFED CCC(=O)c1ccc(OCCO[C@H](C)C#N)cc1 302433583 SSPYLGPKHCGCHK-LLVKDONJSA-N 247.294 2.587 30 20 BFED C#CCCCNc1ccnc(C)c1Cl 307335589 GQCZABKABCIWDE-UHFFFAOYSA-N 208.692 2.869 30 20 BFED Cc1cc(C#N)cc(N[C@H]2CCOC[C@@H]2C)c1 308104081 KQJRMLNOZJRDJQ-FZMZJTMJSA-N 230.311 2.704 30 20 BFED Cc1cc(N[C@@H](C)c2nccs2)cc(C#N)n1 308277516 QXAZFBKZPGRIHZ-VIFPVBQESA-N 244.323 2.891 30 20 BFED C#C[C@H](NC[C@H]1CC=CCC1)C(C)(C)C 308856159 PWSCDYUFMBYLEI-STQMWFEESA-N 205.345 2.980 30 20 BFED C=CCOCCCN[C@@H]1CCC[C@@H]1SCC 309493229 XSTVKFWJJNWRJC-OLZOCXBDSA-N 243.416 2.843 30 20 BFED C#C[C@H](NC(CCC)CCC)[C@@H]1CCCO1 309726766 YHTYNFBHYHHRRK-KBPBESRZSA-N 223.360 2.726 30 20 BFED COc1ccc(C#N)cc1NC[C@@H]1C[C@@H]1C 309910203 MFLXJYQDFYATJV-ONGXEEELSA-N 216.284 2.635 30 20 BFED C[C@H](C#N)OCCOc1cnc2ccccc2c1 310727151 USFHNLPTAQSSLT-LLVKDONJSA-N 242.278 2.542 30 20 BFED C#CCOc1ccccc1CNCC(=C)CC 313497347 KDTBFNMJHWGROM-UHFFFAOYSA-N 229.323 2.754 30 20 BFED CC#CCCNC(=O)C1CCC(CC)CC1 328316699 CRPMMLSVLQAGEL-UHFFFAOYSA-N 221.344 2.732 30 20 BFED C[C@@H]1CC(O)=N[C@H](/C(O)=N/CC2(C)CCC2)C1 328908992 MMACUTWXMCKRNP-UWVGGRQHSA-N 238.331 2.888 30 20 BFED C[C@H](/N=C(/O)C[C@@H]1CCOC1)c1ccccn1 329767847 DHUABBQXNQQFIP-QWRGUYRKSA-N 234.299 2.526 30 20 BFED Cc1ncoc1/C(O)=N/C[C@@]1(C)CCCS1 329815082 UYVSSXWQSOOZTL-LLVKDONJSA-N 240.328 2.573 30 20 BFED Cc1ccnc(N[C@H]2CS[C@H](C)C2)c1C#N 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239.359 2.520 30 20 BFED C=CCOCC(=O)N1CCCC[C@H]1[C@@H](C)CC 357915397 QTZUDRFWEVPAIF-STQMWFEESA-N 239.359 2.616 30 20 BFED C=C(CC)CN1CCC[C@H](COCC)C1 358489652 KJQDGTTUGWELQV-ZDUSSCGKSA-N 211.349 2.701 30 20 BFED C=CCN(CC=C)c1ncc(C#N)cc1Cl 359020426 RAFHNNKUVTYOCR-UHFFFAOYSA-N 233.702 2.785 30 20 BFED N#CCCCC(=O)Nc1ccc2ncccc2c1 360034177 XQMLTQDUJZDDSM-UHFFFAOYSA-N 239.278 2.867 30 20 BFED C=CCCC1(C(=O)N=c2ccn(C(C)C)[nH]2)CC1 361301239 OLLILBOHMPYCGL-UHFFFAOYSA-N 247.342 2.571 30 20 BFED C=CCC[C@@H](O)CN(CC)CC(C)(C)C 361526630 CFPGDLCEORDFKZ-GFCCVEGCSA-N 213.365 2.682 30 20 BFED CCCCCCCN1CC[S@](=O)C[C@H](C)C1 373020822 CEFCHRNQGXTWPL-CJNGLKHVSA-N 245.432 2.657 30 20 BFED C=CCCCN1CC2(CCC2)[C@H]1[C@H]1CCCO1 377763812 QCERZDULFYPNHK-ZIAGYGMSSA-N 235.371 2.986 30 20 BFED CC[C@@H](C)NN=Cc1ncc(Cl)s1 378869121 JETVXPRJJSTGPS-ZCFIWIBFSA-N 217.725 2.519 30 20 BFED C=CCCCCN[C@H]1CCOC(C)(C)C1 389630788 MCHVXFKWSNWTTK-LBPRGKRZSA-N 211.349 2.890 30 20 BFED CCC(C#N)(CC)C(=O)N1C[C@H](C)[C@H](C)[C@H]1C 399517816 MZWVTCUHDJHLOZ-SDDRHHMPSA-N 236.359 2.819 30 20 BFED COc1cc(C#N)ccc1NC(=O)CC1(C)CC1 401340609 RMYIQRDXKHKYGZ-UHFFFAOYSA-N 244.294 2.696 30 20 BFED C[C@@H](Sc1ccccc1)C(=O)N(C)[C@H](C)C#N 410891219 SLVLUJURGIPBFT-GHMZBOCLSA-N 248.351 2.538 30 20 BFED CC[C@@H](Nc1ncc(C#N)cc1F)C(F)F 413321585 GIZORLKWOLJECM-MRVPVSSYSA-N 229.205 2.548 30 20 BFED C[C@@H]1CN(C(=O)c2ccc(C#N)s2)[C@@H](C)[C@H]1C 416070980 LNULHQYZSWASFX-UTLUCORTSA-N 248.351 2.736 30 20 BFED C=CCCCc1nc(C2(N)CCCCC2)no1 424339551 DAQWQDSKVKADGH-UHFFFAOYSA-N 235.331 2.696 30 20 BFED C=C(C)C(C)(C)C(=O)N(C)Cc1ccccn1 424605913 RMJMVRJTJANGDW-UHFFFAOYSA-N 232.327 2.642 30 20 BFED CCC[C@H](C)N(C)C(=O)N[C@@H]1CC[C@H](C#N)C1 425844040 KVMSMMIXEHTXFL-SDDRHHMPSA-N 237.347 2.509 30 20 BFED C=CCn1c(O)nnc1SCCCC(C)C 428077964 QDDCRVXGFAGNSS-UHFFFAOYSA-N 241.360 2.698 30 20 BFED CC(C)CSCCCN(CC#N)C1CC1 443620766 FEBJDYXTAGYTLA-UHFFFAOYSA-N 226.389 2.754 30 20 BFED CCCN(CC#N)Cc1cc(F)cc(OC)c1 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AOQDJRIRENDGLU-LLVKDONJSA-N 232.352 2.645 30 20 BFED C=C(C)CN(CC)C/C=C/c1ccncc1 495079699 OXLHUKOUDFMHOM-AATRIKPKSA-N 216.328 2.993 30 20 BFED C=C(C)CCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 514777264 MPSQMFMHAXNWRL-SDDRHHMPSA-N 207.317 2.505 30 20 BFED C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@]1(C)OC(C)C 529970849 UEUBUPYPXQLJFQ-SCRDCRAPSA-N 239.359 2.661 30 20 BFED C=CCCCN1CCC(Nc2ccccn2)CC1 536367728 CSQATRVEUVMNKV-UHFFFAOYSA-N 245.370 2.924 30 20 BFED N#Cc1cc(F)ccc1CNC1(C2CC2)CC1 543452349 USBHHTBMKRHNHX-UHFFFAOYSA-N 230.286 2.730 30 20 BFED CC(C)N(CCC#N)C(=O)C[C@H]1CCC[C@H]1C 546011707 BNACWWNJLIUJFZ-CHWSQXEVSA-N 236.359 2.963 30 20 BFED C=C(C)CCN1CCC(OC(C)C)CC1 556811531 OBBKRCDWXZNZLD-UHFFFAOYSA-N 211.349 2.842 30 20 BFED C=CCOc1cccc(CN[C@H]2CO[C@@H](C)C2)c1 563711470 AIYWLOMFPHWMER-GXTWGEPZSA-N 247.338 2.518 30 20 BFED N#CCC[C@H](C#N)CNC[C@H]1CCC[C@@H]1C1CC1 569087051 CJSBZCYXVXIZII-BPLDGKMQSA-N 245.370 2.846 30 20 BFED C=CC(C)(C)CNC(=O)c1cc(C)c(C)o1 570654855 YGNBEZGNXZTWKO-UHFFFAOYSA-N 221.300 2.838 30 20 BFED Cc1cc(CNC[C@H]2CCSC2)ccc1C#N 572570116 DAMJGFFNCAUSEL-CYBMUJFWSA-N 246.379 2.709 30 20 BFED Cc1cc(C#N)nc(N2CC[C@H](C)C[C@H](C)C2)n1 588005375 FAQIPKMTWDJAND-QWRGUYRKSA-N 244.342 2.529 30 20 BFED CCSCCCNC(=O)CCCCCC#N 588166406 RHPWNOODVLGGTN-UHFFFAOYSA-N 242.388 2.720 30 20 BFED N#CCCCCCC(=O)N1CC[C@@H]2CCC[C@@H]21 588691015 BKZJOLAKINLVCI-STQMWFEESA-N 234.343 2.861 30 20 BFED CC[C@@H](C#N)N(C)C(=O)[C@H]1CCCC1(C)C 594087660 NIHJXVZZWIONLJ-WDEREUQCSA-N 222.332 2.573 30 20 BFED CCC[C@H]1[C@@H](C)CCCN1c1ccnc(C#N)n1 594556717 IMLCRIDSPCISOX-RYUDHWBXSA-N 244.342 2.753 30 20 BFED CO[C@]1(C)CCCN([C@H](C#N)c2ccccc2)C1 595470300 UADYXEZVIWMMSI-HUUCEWRRSA-N 244.338 2.752 30 20 BFED CC[C@@H](C)CC(=O)NCCc1ccc(C#N)cc1 597890242 RBDQPRVVKSZFPY-GFCCVEGCSA-N 244.338 2.653 30 20 BFED N#Cc1cccnc1N1CCCC(F)(F)CC1 599134123 PMSKDOBTNQFPFM-UHFFFAOYSA-N 237.253 2.579 30 20 BFED N#CCCS[C@H]1CCO[C@H](c2cccnc2)C1 600559110 YEUSNQSUSFZMGJ-STQMWFEESA-N 248.351 2.949 30 20 BFED N#Cc1ccc(F)c(Cn2ccnc2C2CC2)c1 600610069 FERYTFXUHKYYTK-UHFFFAOYSA-N 241.269 2.820 30 20 BFED Cc1cnccc1S[C@H](C#N)C1CC1 601082556 IXDJYGYRBQKYBH-LLVKDONJSA-N 204.298 2.784 30 20 BFED C[C@@H](CCC#N)CN[C@H]1CCC(F)(F)C1 602576056 LCPGWMWVRAZECB-UWVGGRQHSA-N 216.275 2.704 30 20 BFED CC[C@@H](CC#N)NCc1cc2ccccc2n1C 602610665 IDUMIDZFPLFLLP-ZDUSSCGKSA-N 241.338 2.960 30 20 BFED C[C@H](NCC1(C#N)CC1)c1cccc(C#N)c1 611433182 PWMWXXWPCKDDMF-NSHDSACASA-N 225.295 2.513 30 20 BFED C=C[C@@](C)(O)C(=O)NC[C@@H](CCC)CCCC 612112678 RWCBVPNNILHDIW-GXTWGEPZSA-N 241.375 2.646 30 20 BFED C=CCCC[C@@H](C)NC(=O)CCCF 613273778 XNVLHCJTLVTHPH-SNVBAGLBSA-N 201.285 2.597 30 20 BFED CCC(C)(CC)C(=O)N[C@H](C#N)CC(C)C 613402067 IPPHVEDWPPXIQV-NSHDSACASA-N 224.348 2.867 30 20 BFED C=CCCNC(=O)c1ccc(N(C)CCC)cc1 617615269 FHRNQJBNGRWTPS-UHFFFAOYSA-N 246.354 2.839 30 20 BFED C=CCC1(NC(=O)c2cc(C)no2)CCCC1 619113747 GWZUDUSSYRHBNN-UHFFFAOYSA-N 234.299 2.602 30 20 BFED CC(C)n1nccc1CN1CCC[C@@](C)(C#N)C1 619428766 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229.201 2.976 30 20 BFED C=CCC(F)(F)C(=O)N[C@H]1CCC[C@H](C)C1 814934332 BBUYHFWQKMDSGW-UWVGGRQHSA-N 231.286 2.893 30 20 BFED CCCCCCCCC(=O)N1CCCOC1 816558704 JFGMRNZPQHCTPH-UHFFFAOYSA-N 227.348 2.943 30 20 BFED C=C(C)C(C)(C)C(=O)NOCc1ccccc1 819027346 HMOAPDSGHRRIHW-UHFFFAOYSA-N 233.311 2.837 30 20 BFED Cc1ccc([C@@H](O)CNCC(C)(C)CC#N)cc1 819362494 GTFBVSVOZZEYJU-AWEZNQCLSA-N 246.354 2.558 30 20 BFED C#CCN(C(=O)N[C@@H]1C=CCC1)C1CCCCC1 821086897 YTQMLGXYQVFPBN-CYBMUJFWSA-N 246.354 2.683 30 20 BFED CC(C)C#CC(=O)N1CC[C@@H](c2ccccc2)C1 824663267 JDUWSJSQGNKJLX-OAHLLOKOSA-N 241.334 2.662 30 20 BFED C#C[C@H](C)NCc1cccc(C(C)C)c1 825878180 DPDZTUFKZDVLKL-LBPRGKRZSA-N 201.313 2.921 30 20 BFED Cc1ccc2c(c1)[C@@H](NC(=O)C#CC(C)C)CC2 826692762 IRMXUNZDRQZRRW-HNNXBMFYSA-N 241.334 2.758 30 20 BFED C#Cc1cnc(NCCC2CCCCC2)nc1 827378961 ZUYVNHXTIAHPMT-UHFFFAOYSA-N 229.327 2.840 30 20 BFED CC(C)C#CC(=O)N1C[C@H](C)CCC[C@H]1C 828642023 NHJOUVBZGHEBLX-CHWSQXEVSA-N 221.344 2.683 30 20 BFED 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2.575 30 20 BFED C=CCCC[C@H](C)N[C@@H](COC)C(C)C 182183322 XZFLSZFZLKYWAP-STQMWFEESA-N 213.365 2.992 30 20 BFED C[C@H](C#N)CNC(=O)N1CCC2(CCCCC2)C1 182807638 ANDGMWFXAKUDKQ-GFCCVEGCSA-N 249.358 2.512 30 20 BFED CC#CCCCC(=O)N1CCS[C@@H](C)[C@@H]1C 185610747 ICKSAIFQWSFEGV-RYUDHWBXSA-N 239.384 2.532 30 20 BFED C#CCN(C)C(=O)[C@@H](CC)Sc1ccccc1 191171245 GKJHGUJZSDHYBV-CYBMUJFWSA-N 247.363 2.649 30 20 BFED C=CCCCCCSCc1nncn1C 192543997 QGQKIBZCVXPVRK-UHFFFAOYSA-N 225.361 2.795 30 20 BFED C=C(C)CN(CC)C(=O)N[C@@H](C)c1cccnc1 193283769 YPAHFQJWJFDAOH-LBPRGKRZSA-N 247.342 2.750 30 20 BFED C/C=C/C=C\C(=O)OCc1ccccc1C#N 209383277 RONGMZGSBWLEOK-OQIXSKIXSA-N 227.263 2.734 30 20 BFED c1cc(NN=C2CCCCCC2)ncn1 225201099 MBMADTGAYJTKBB-UHFFFAOYSA-N 204.277 2.599 30 20 BFED CC[C@@H](C)NCc1ccc(O[C@H](C)C#N)cc1 236899965 PVHSWHMFPVYBGR-VXGBXAGGSA-N 232.327 2.866 30 20 BFED N#C[C@@H](NC(=O)c1ccc(F)cc1)C1CCCC1 259905363 LGLJVGQBARUYND-CYBMUJFWSA-N 246.285 2.638 30 20 BFED CO[C@@H](C)CCN[C@@H](C)c1cccc(C#N)c1 271888352 RGTAGVZZVVOPMX-RYUDHWBXSA-N 232.327 2.634 30 20 BFED C=CCCN(C)Cc1ccc(NC(C)=O)cc1 276181546 VFWXJXHBTCPACD-UHFFFAOYSA-N 232.327 2.653 30 20 BFED C#CCCCN(C)Cc1ccccc1N(C)C 288765638 HUFARCBMQPAFLG-UHFFFAOYSA-N 230.355 2.598 30 20 BFED CC1CC(NC(=O)Nc2ccc(C#N)c(F)c2)C1 290302345 YZZWKKZWKOZRFU-UHFFFAOYSA-N 247.273 2.617 30 20 BFED Cc1cc(NC(=O)CCCC#N)ccc1[N+](=O)[O-] 291655599 HGDLDXNMNZFSLM-UHFFFAOYSA-N 247.254 2.536 30 20 BFED COc1c(C)ccc(NC(=O)CCCC#N)c1C 292587929 LMUHIHOAMHEUAS-UHFFFAOYSA-N 246.310 2.944 30 20 BFED C=C(C)CN(CC)C(=O)c1ncoc1C1CC1 294213246 UUGMTCXZIYBMJD-UHFFFAOYSA-N 234.299 2.590 30 20 BFED CCN(C[C@@H](C)C#N)c1nccc(C#N)c1Cl 300264556 CDEWJUDKDAEGQH-VIFPVBQESA-N 248.717 2.593 30 20 BFED Fc1c(C[C@@H]2CO2)ccc2ccccc12 307295779 PDVOUQKUCTZLFY-LLVKDONJSA-N 202.228 2.920 30 20 BFED Cc1nc(C#N)cc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)n1 308333940 MRRVWOSLXQSFBN-JFGNBEQYSA-N 244.342 2.893 30 20 BFED CC1(CN(CC#N)C2CCCC2)CCC1 308935834 SQDKSQYTVZABQM-UHFFFAOYSA-N 206.333 2.945 30 20 BFED Cc1cc([C@H](C)NCCCC#N)oc1C 309142873 UEMROYBZXFPECP-JTQLQIEISA-N 206.289 2.851 30 20 BFED C[C@@H](Nc1ccc(OCC#N)cc1)[C@@H]1CCCO1 310864214 KYHYQMQIJZEOFM-RISCZKNCSA-N 246.310 2.568 30 20 BFED CC[C@](C)(CO)/N=C(/O)c1cc[nH]c1C(C)C 330609404 RYOOKYFJUDQACN-CYBMUJFWSA-N 238.331 2.604 30 20 BFED CCC1(NC(=O)Nc2cc(C#N)ccc2C)CC1 334674749 GGLIGYJZKJQUDF-UHFFFAOYSA-N 243.310 2.931 30 20 BFED Cc1oc(C#N)cc1C(=O)N1CC(C)(C)C[C@H]1C 335207751 HIZFFROIANWVLQ-SECBINFHSA-N 246.310 2.720 30 20 BFED Cc1cccc2[nH]c(=NC[C@H](C)C#N)sc12 335608213 DQEBYWRVFGTCEF-MRVPVSSYSA-N 231.324 2.598 30 20 BFED C[C@@H]1CC2(CCC2)CN1c1ccnc(C#N)c1 335954025 XYXJDOWJAWAHAW-LLVKDONJSA-N 227.311 2.722 30 20 BFED C=C(C)C[C@@H](C)C(=O)N1CC[C@@](C)(F)C1 336038608 YVIOZZLVYVXVIV-ZYHUDNBSSA-N 213.296 2.549 30 20 BFED C=C[C@H](C)N[C@H](C)[C@H](OC)c1ccccc1 336772031 UZNCXTDVMGCYLE-SCRDCRAPSA-N 219.328 2.927 30 20 BFED CCCC[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C 337459943 LSRNPVADLKYKKO-DGCLKSJQSA-N 224.348 2.867 30 20 BFED C=C(C)[C@@H](CC(=O)N(CC)CC(C)C)OCC 339419923 QNELQEIYZAWHGK-CYBMUJFWSA-N 241.375 2.862 30 20 BFED C=CCCOCCNC(=O)CC(C)(C)CC 339857059 LHZATPPQGPIXRD-UHFFFAOYSA-N 227.348 2.522 30 20 BFED C=CCC(C)(C)c1noc(-c2ccc(C#N)[nH]2)n1 340779023 SKLIYFOIQASQEU-UHFFFAOYSA-N 242.282 2.790 30 20 BFED C=CCCN(C)C(=O)c1ccc2ccccc2n1 342008292 GXTZYSDRBKDGBY-UHFFFAOYSA-N 240.306 2.883 30 20 BFED C=CC[C@H](C)NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 342376580 NSHDQOMUNZOIQJ-CYDGBPFRSA-N 221.344 2.894 30 20 BFED CCC(CC)N(CC)C(=O)c1c[nH]c(C#N)c1 342607795 OVKAEBOOTRZFOF-UHFFFAOYSA-N 233.315 2.537 30 20 BFED C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1C(F)F 343419119 SFPQTGMVYGTTGK-VHSXEESVSA-N 231.286 2.845 30 20 BFED C[C@@H](C#N)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1 343626767 LKNXYOGSGOHTOK-DYEKYZERSA-N 242.322 2.756 30 20 BFED C=CCCC1(C(=O)N[C@H]2CC[C@@H]2C)CC1 343997750 YPWWAHFHFAPLAC-QWRGUYRKSA-N 207.317 2.648 30 20 BFED CCc1noc(C[C@@H](CC#N)c2ccccc2)n1 345728061 WNECCIIQSMPFEX-GFCCVEGCSA-N 241.294 2.872 30 20 BFED C=CCOCCCN(C(C)C)C1CCC1 348049575 OVMGJSCYGZBJMW-UHFFFAOYSA-N 211.349 2.842 30 20 BFED CC(C)[C@H](C)CC(=O)N(CCC#N)CC1CC1 349360995 XOCUYUWUYNDILW-GFCCVEGCSA-N 236.359 2.821 30 20 BFED C=CCC(C)(C)CNC(=O)C1(SC)CC1 352487826 JGLWUZORVORNMY-UHFFFAOYSA-N 227.373 2.601 30 20 BFED C=CCN(C(=O)CC[C@H](C)CC)C1CC1 354458916 QMDRFYUUZAEKSU-LLVKDONJSA-N 209.333 2.990 30 20 BFED C=CCN(C)C(=O)[C@H](CCC)c1ccccn1 356473945 NXZJEPXCEBUHNK-GFCCVEGCSA-N 232.327 2.610 30 20 BFED CC[C@@H](CC#N)NC(=O)[C@H](C)c1ccsc1 358043669 AEXZKHCLROANFS-KOLCDFICSA-N 236.340 2.660 30 20 BFED C=C[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1CC 362381198 WAQRPHZYWLTFFX-QJPTWQEYSA-N 224.348 2.829 30 20 BFED C=C[C@@H](C)NC(=O)CCCOc1ccccc1 362585470 CLEWQOJOECDUFR-GFCCVEGCSA-N 233.311 2.536 30 20 BFED C[C@H]1CCN(CC#N)CC12CCCCC2 373423203 SCMYEZPQFRAHRH-LBPRGKRZSA-N 206.333 2.802 30 20 BFED C=CCCCCCCNCc1cnc[nH]1 379932161 WGHRXLTVXSYJAV-UHFFFAOYSA-N 207.321 2.636 30 20 BFED C[C@H](CC(C)(C)C)NCc1cc(C#N)n(C)c1 384509378 GNMJWWPIXXMWJR-LLVKDONJSA-N 233.359 2.811 30 20 BFED C=CCCCNCC1Cc2ccccc2C1 390101661 AHNXEGIYSIOIDP-UHFFFAOYSA-N 215.340 2.957 30 20 BFED CCC[C@@H](C#N)N(C)C(=O)c1oc(C)cc1C 410829768 SGCVVDQWJIRILY-NSHDSACASA-N 234.299 2.661 30 20 BFED CCCC[C@H](C)N(C)C(=O)[C@]1(C#N)C[C@@H]1C 410879780 QFJPBAVCLAHOSZ-GVXVVHGQSA-N 222.332 2.573 30 20 BFED C=C(C)CCN[C@H](CC(C)C)C(=O)OCC 419228956 WFXRHNUSQSSGIK-GFCCVEGCSA-N 227.348 2.520 30 20 BFED N#CC1(CSC[C@H]2CCC[C@@H](O)C2)CCC1 419593444 ZUXRDWJYRSJPQN-NWDGAFQWSA-N 239.384 2.965 30 20 BFED C=CC[C@@H](C)NC(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2 420922085 VMZJMZRKYLEDHW-ZOBORPQBSA-N 248.370 2.853 30 20 BFED C=CC(C)(C)CN[C@@H](Cc1ccccc1)[C@@H](C)N 423158378 WORSVNCYKDRQTJ-HIFRSBDPSA-N 246.398 2.747 30 20 BFED C=C(C)C(C)(C)C(=O)NCCCOCC1CC1 424537740 HKIQRAOUOYRHMK-UHFFFAOYSA-N 239.359 2.522 30 20 BFED C=CCOCCN(C)[C@@H](C)c1cccc(C#N)c1 425542881 YWFSQKWHJYRKHH-ZDUSSCGKSA-N 244.338 2.754 30 20 BFED CC[C@@H]1[C@@H](C)CCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 425615795 ZAQJADZQFOTLCY-WUHRBBMRSA-N 249.358 2.509 30 20 BFED Cc1ccnc(N(C)[C@@H]2CC[C@H](C)C2)c1C#N 428665280 KQPLVGIZASXASB-CMPLNLGQSA-N 229.327 2.887 30 20 BFED CCC[C@H](C(=O)NCC1(CC#N)CC1)C(C)C 431170823 XCJNDWLNRVIOCD-LBPRGKRZSA-N 236.359 2.869 30 20 BFED C=C(C)CN(C)Cc1nnc(C(C)C)s1 450702136 PULPLNBEUXAWIN-UHFFFAOYSA-N 225.361 2.669 30 20 BFED C=C(C)CCNC(=O)c1cccnc1NC(C)C 452715910 FTCLOPICDVUAJS-UHFFFAOYSA-N 247.342 2.598 30 20 BFED C=CC(C)(C)CNC(=O)Cc1ccc(C)cc1 452776498 KTYCZFIAEAXAOI-UHFFFAOYSA-N 231.339 2.866 30 20 BFED C=C(C)CCNC(=O)N[C@H](C)CC(F)(F)F 454787104 CCXYBWKLRXBLPV-MRVPVSSYSA-N 238.253 2.593 30 20 BFED CC(C)Oc1cccc(NC(=O)NCCC#N)c1 455767181 ATXZWJSKBRZTNM-UHFFFAOYSA-N 247.298 2.509 30 20 BFED C=CC(C)(C)CNC(=O)[C@@H](C)C1CCC1 457825795 GWHNYECLUMADBN-JTQLQIEISA-N 209.333 2.751 30 20 BFED C=C(CC)CNC(=O)N1CCc2ccc(F)cc21 459077841 BVWYGZRUELKVBK-UHFFFAOYSA-N 248.301 2.864 30 20 BFED CCCc1cccc(CN2CC(C)(C#N)C2)c1 459585961 DFMQXQTWZRNLQE-UHFFFAOYSA-N 228.339 2.985 30 20 BFED C=C[C@H](C)NC(=O)C(C)(C)Cc1ccccc1 465116366 DPCPSDKONCVOHS-LBPRGKRZSA-N 231.339 2.946 30 20 BFED C#CCN(CC)C(=O)[C@@H](SC)c1ccccc1 490897604 DEHFUYUTUBABAM-ZDUSSCGKSA-N 247.363 2.572 30 20 BFED C#C[C@@H](CC)NC(=O)N1CCC[C@H](CCC)C1 491288123 PZCMQSHSYXITDR-STQMWFEESA-N 236.359 2.620 30 20 BFED C#CCN(C)C(=O)Nc1cccc(Cl)c1F 491658495 BSZJVYNWHZDYMN-UHFFFAOYSA-N 240.665 2.576 30 20 BFED C#CC(C)(C)N(C)Cc1cc(C)nc(Cl)c1 491665624 GJQLLXFJAVDQMG-UHFFFAOYSA-N 236.746 2.887 30 20 BFED N#CCCNc1cccc(OC[C@H]2CCCO2)c1 514856676 UCJOWNBRDBQABY-CQSZACIVSA-N 246.310 2.570 30 20 BFED CCC(C#N)(CC)c1nc(C2CCOCC2)no1 528117186 KUJOVYHGWBNAJA-UHFFFAOYSA-N 249.314 2.545 30 20 BFED Cc1ccccc1[C@H](CO)NCCC(C)(C)C#N 541981722 CJXXKPUXYXRHFP-AWEZNQCLSA-N 246.354 2.558 30 20 BFED CC#CCN(C)C(=O)[C@@H](c1ccccc1)C1CC1 558047050 BPAAJRFTHILVHC-HNNXBMFYSA-N 241.334 2.662 30 20 BFED CC[C@@H]1CCCC[C@H]1C(=O)NCC1(C#N)CC1 559609902 GXGAGKIPSMEGJI-VXGBXAGGSA-N 234.343 2.623 30 20 BFED CC#CCCCC(=O)Nc1nnc(C2CC2)s1 568578790 RDGQEEJXEMJPID-UHFFFAOYSA-N 249.339 2.548 30 20 BFED COC(=O)C[C@H](C)S[C@@H](C#N)c1ccccc1 577410550 ACZCEULEGOXQMQ-JQWIXIFHSA-N 249.335 2.936 30 20 BFED Cc1oc(C)c(C(=O)N[C@@H]2CC[C@H](C#N)C2)c1C 591796052 IJVUPKZLDHOFBS-NWDGAFQWSA-N 246.310 2.627 30 20 BFED CC[C@H](C#N)C(=O)Nc1ccc(C)c(OC)c1C 593403547 WNOQXBKBXJIKFR-LLVKDONJSA-N 246.310 2.800 30 20 BFED CC[C@H](C#N)C(=O)N(CC1CCC1)C(C)C 593656226 DFSMIYQDEJFSEB-GFCCVEGCSA-N 222.332 2.573 30 20 BFED C=C(CC)CN(CCC(=O)OCC)C(C)C 594053701 OKSHUPKSKYJLGO-UHFFFAOYSA-N 227.348 2.616 30 20 BFED CC[C@@H](C#N)N(C)C(=O)c1cc(C)ccc1C 594101011 PQALAQCERFBWHG-LBPRGKRZSA-N 230.311 2.678 30 20 BFED CN(CC1=CCSC1)Cc1ccc(C#N)cc1 595888458 MJIZIWVAFNOKNN-UHFFFAOYSA-N 244.363 2.663 30 20 BFED COCc1ccc(CN2CCC[C@H](CC#N)C2)o1 597177452 MKZKFXAIPWYSOW-GFCCVEGCSA-N 248.326 2.552 30 20 BFED CC[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H](CC#N)C1 597899530 BCGCJOIGCJLDCW-BFHYXJOUSA-N 248.370 2.965 30 20 BFED N#CC[C@H]1CCCN(C(=O)CCC2CCC2)C1 597908494 UHPUHDKSEQBTMY-CYBMUJFWSA-N 234.343 2.719 30 20 BFED CN1CCN(CCCC#N)c2ccc(Cl)cc21 599693183 XDICUQMXDJPTSC-UHFFFAOYSA-N 249.745 2.900 30 20 BFED Cc1cc(C)c(O)c(NC(=O)CCCC#N)c1 601843979 BDSALFUSSYVBTL-UHFFFAOYSA-N 232.283 2.641 30 20 BFED C=CCC(C)(C)CNC(=O)c1ccc(CO)cc1 615287139 WVZCODYEAPYVHM-UHFFFAOYSA-N 247.338 2.511 30 20 BFED CCN(C[C@H]1CCOC1)c1ccc(C#N)cc1F 615494938 SLGWWUYWRWENGG-GFCCVEGCSA-N 248.301 2.560 30 20 BFED N#C[C@]1(F)CCN(Cc2cccc3[nH]ccc23)C1 615652203 SUVQIIVNBBERRW-CQSZACIVSA-N 243.285 2.605 30 20 BFED CC#CCCCC(=O)N1C[C@@H]2CCCC[C@@H]21 616724528 PQXXPHXAPQRFBK-STQMWFEESA-N 219.328 2.581 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1cccc(OC)n1 616946889 LGJMKIMYPDYQTJ-CYBMUJFWSA-N 234.299 2.631 30 20 BFED C=CCC(CC=C)C(=O)N[C@]12CCC[C@@H]1C2 617208265 DLUSCNOBCLDWAJ-OCCSQVGLSA-N 219.328 2.814 30 20 BFED C=CC[C@@H]1CCCN(C(=O)c2ccncc2C)C1 617777059 HHMQTAYQHOLQBB-CYBMUJFWSA-N 244.338 2.818 30 20 BFED Cc1ccc(CCN[C@@H]2CCC[C@H](C#N)C2)o1 618562665 XZOOLNFBJYKQKR-QWHCGFSZSA-N 232.327 2.803 30 20 BFED C=CCCC(C)(C)NC(=O)C(=O)c1ccccc1 620856850 CJZUMWUNQFFVQG-UHFFFAOYSA-N 245.322 2.730 30 20 BFED C=CCCC(C)(C)NC(=O)CCc1ccccn1 620856974 IBNOXPHLXVTRFI-UHFFFAOYSA-N 246.354 2.875 30 20 BFED C=CCCN(C)C(=O)Nc1cccc2c1OCC2 626686005 UGMFTGROWZNHAJ-UHFFFAOYSA-N 246.310 2.661 30 20 BFED C=CCC[C@H](N[C@@H](CCC)CCO)C1CC1 631670373 VBKIXUUHAWTULG-KBPBESRZSA-N 225.376 2.872 30 20 BFED C=C(C)COCCNC(=O)C(C)(C)CCC 649841861 GDFNIOFAQYTONQ-UHFFFAOYSA-N 227.348 2.522 30 20 BFED C=CCCC(=O)N1Cc2cc(F)c(F)cc2C1 654174594 MKCREQQQHABCIH-UHFFFAOYSA-N 237.249 2.773 30 20 BFED C=CCCC(C)(C)NCc1ccc(OC)nc1 657805123 KWLZRCDSYQAISO-UHFFFAOYSA-N 234.343 2.925 30 20 BFED N#C[C@H]1CC[C@@H](N2CCC3(CCCC3=O)CC2)C1 661958714 XJOYNYCRMIDXPM-QWHCGFSZSA-N 246.354 2.514 30 20 BFED C=CCCC(C)(C)NC(=O)Nc1cnc(C)nc1 665979221 MMWNMEODIDFWSX-UHFFFAOYSA-N 248.330 2.651 30 20 BFED COCC#CCOc1ccc(OCC2CC2)cc1 678822392 CTNNRCWLKAPIKS-UHFFFAOYSA-N 246.306 2.504 30 20 BFED C=C(C)CNC(=O)C1(C(F)F)CCCC1 685194987 JZFFABMEXQCSDD-UHFFFAOYSA-N 217.259 2.504 30 20 BFED C[C@@H](CC(C)(C)C#N)N[C@H]1CCOC(C)(C)C1 695817840 VAIZEWAMJMRGMS-RYUDHWBXSA-N 238.375 2.862 30 20 BFED C[C@@H]1CCCC1=NNc1ccccc1C(=O)O 729142891 FJCPXMLFXJWVQQ-SECBINFHSA-N 232.283 2.973 30 20 BFED C=CC[C@H](C)NC(=O)/C=C/c1ccccc1F 735068137 TWOPACFHDJJJDS-USKTWTLRSA-N 233.286 2.920 30 20 BFED C=CCCCOC(=O)Cc1ccsc1 735527811 JKPINWUSGUGIOE-UHFFFAOYSA-N 210.298 2.800 30 20 BFED CC(C)CN(CCC#N)C(=O)[C@@H](C)c1ccco1 741678781 YPCUEHLIOYOVEX-LBPRGKRZSA-N 248.326 2.781 30 20 BFED COc1cc(C)nc(NN=C2CCCCC2)n1 747634650 MAKRVBPGVIAVLG-UHFFFAOYSA-N 234.303 2.526 30 20 BFED N#CCCCCOC(=O)CCC1CCC1 750393030 FBRPPHIPVNJPED-UHFFFAOYSA-N 209.289 2.804 30 20 BFED C=C(CC)COC(=O)c1c(C)noc1C1CC1 751705609 VPEGQCISANRCQL-UHFFFAOYSA-N 235.283 2.983 30 20 BFED Cc1cc(NN=CCC(C)(C)C)nc(C)n1 755649912 ZQYPAZRJDGSNDO-UHFFFAOYSA-N 220.320 2.927 30 20 BFED CC(C)c1ccc(C=NNC2CCOCC2)cc1 757599149 RFVWQJFICVROBU-UHFFFAOYSA-N 246.354 2.913 30 20 BFED Fc1cc(F)c(C=NOCC(F)F)cc1F 758910626 JEPBEYRCAYFMST-UHFFFAOYSA-N 239.143 2.720 30 20 BFED COc1cccc(/C=N\[C@H](C)c2ccc[nH]2)c1O 760230165 XNLQGAPJCLNQGT-MQHRVFIMSA-N 244.294 2.909 30 20 BFED C#CCCNc1ccc(C(=O)NC(C)(C)C)cc1 760288164 SNNJHPFVHUOBCZ-UHFFFAOYSA-N 244.338 2.650 30 20 BFED C#CCCc1noc(Cc2ccc(CC)cc2)n1 762012087 TXGIGAAINCGXBJ-UHFFFAOYSA-N 240.306 2.789 30 20 BFED CCN(CC)c1ccnc(NN=CCC(C)C)n1 762607336 AXNSLFYSVMWSBC-UHFFFAOYSA-N 249.362 2.767 30 20 BFED CC#CC(=O)Nc1ccccc1SC(F)F 763989766 BDBQFZZRCKEUMS-UHFFFAOYSA-N 241.262 2.963 30 20 BFED Cc1cc(C=NOCC(F)(F)F)cc(C)c1O 764844642 KYOQMYBVVCFFLO-UHFFFAOYSA-N 247.216 2.922 30 20 BFED CCON=Cc1cc(C)n(-c2nccs2)c1C 767463780 JHAVPXYQKNSHID-UHFFFAOYSA-N 249.339 2.921 30 20 BFED C#CCOc1ccc(CN2C[C@@H](C)[C@H](C)C2)cc1 769446819 BUSNKDHZPRTMFN-ZIAGYGMSSA-N 243.350 2.786 30 20 BFED CCON=C(C)c1ccccc1N(C)C 769570909 YHNUTWQLAOXXPA-UHFFFAOYSA-N 206.289 2.513 30 20 BFED c1ccc([C@@H]2CCC2=NNc2ncccn2)cc1 769781992 UJEJRVRXBFSGGG-LBPRGKRZSA-N 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30 20 BFED C=CC[C@H](CO)CN[C@@H]1C[C@@H](C)C[C@@H](C)C1 336781466 UUZGIMCMLFGTPM-RFQIPJPRSA-N 225.376 2.585 30 20 BFED C=CCCOCCNC(=O)[C@@H](C)CCCC 337166738 IYZDZGLRCLANCP-LBPRGKRZSA-N 227.348 2.522 30 20 BFED Cc1c(C#N)cccc1C(=O)NCCC1(C)CC1 337990722 LRLGYHIPFSRWJO-UHFFFAOYSA-N 242.322 2.787 30 20 BFED C=CCCOc1cc(C)c([N+](=O)[O-])cc1F 339026422 CLHYBWXGHSRRHP-UHFFFAOYSA-N 225.219 2.997 30 20 BFED C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CC[C@H]1C 339060316 PRIJHYAQBWXQFA-FVCCEPFGSA-N 206.333 2.657 30 20 BFED C=CCCOc1ccc(OC)cc1C(C)=O 339096226 SWNISEIIDOTONC-UHFFFAOYSA-N 220.268 2.853 30 20 BFED CCN(CCC#N)C(=O)[C@H]1CCCC(C)(C)C1 339199547 BOPYYDKZFXDGQL-LBPRGKRZSA-N 236.359 2.965 30 20 BFED CC1(C)C[C@H]1CNC(=O)c1ccc(CC#N)cc1 340148242 KQCGLVXNEGIEMT-ZDUSSCGKSA-N 242.322 2.529 30 20 BFED C=CC[C@H](CO)CN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 341879660 ONDABQJSOYWYBU-XBORSJSESA-N 249.398 2.585 30 20 BFED N#CCc1ccc(CSc2nncs2)cc1 342204317 HXOIVIWPKLZWIM-UHFFFAOYSA-N 247.348 2.896 30 20 BFED 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246.701 2.884 30 20 BFED CC(=NNc1cncnc1)c1cccc(Cl)c1 794978595 KKLINLNJJAMFJW-UHFFFAOYSA-N 246.701 2.966 30 20 BFED C=CCNN=C1C[C@H](OCC)C1(CC)CC 794998619 OVUFUWVACYXMGQ-LBPRGKRZSA-N 224.348 2.733 30 20 BFED Fc1cccc(NN=C2CC3(CCC3)C2)n1 795007783 NYGMAQOQVVEAOX-UHFFFAOYSA-N 219.263 2.953 30 20 BFED COCCCON=C1CCC[C@H]1CCCF 795053458 NRUMBPQKWGSJDW-NSHDSACASA-N 231.311 2.945 30 20 BFED C#C[C@H](C)N(C)C(=O)Nc1ccc(F)c(CC)c1 806557158 NPBHKSNPVKPDLB-JTQLQIEISA-N 248.301 2.874 30 20 BFED CCC[C@H](C)c1noc(C2(C#N)CCOCC2)n1 809360658 UWUWIIKVRVSAGX-JTQLQIEISA-N 249.314 2.545 30 20 BFED C#Cc1ccccc1CC(=O)N(C)CCC(C)C 810083301 IMPMZBJTRBJHBO-UHFFFAOYSA-N 243.350 2.715 30 20 BFED CON=C(C[C@H]1CCCO1)c1ccc(F)cc1 811638479 PJUJNSVOBHQUDT-GFCCVEGCSA-N 237.274 2.745 30 20 BFED C=CCOCCOC(=O)c1ccoc1C(C)C 813895027 IYACQPMMKYPFMH-UHFFFAOYSA-N 238.283 2.762 30 20 BFED CC(=NOCc1ccccc1)c1c[nH]nc1C 814791078 ASHUMXQOQGXWQR-UHFFFAOYSA-N 229.283 2.659 30 20 BFED Clc1cccc(NN=C[C@@H]2CCCOC2)n1 814939488 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209.289 2.658 30 20 BFED C=C[C@@](C)(CC)COC(=O)[C@H]1CC1(F)F 835337980 YIACOOHEFIIEPA-SCZZXKLOSA-N 218.243 2.787 30 20 BFED C=CCC(C)(C)COC(=O)/C=C\[C@H]1CCOC1 835462032 DDYNDVUJOSAJCI-FJOGCWAESA-N 238.327 2.725 30 20 BFED CC[C@H]1CCCN(C(=O)C#CC(C)(C)C)C1 837340086 GTFCFZHNQOMOHY-LBPRGKRZSA-N 221.344 2.685 30 20 BFED C#CCC[C@H](C)OC(=O)[C@@H](C)OCCC(C)C 839035680 JMPJAELRYNPAKZ-QWHCGFSZSA-N 240.343 2.783 30 20 BFED C#CCC[C@@H](C)OC(=O)c1ccc(Cl)nc1 839039609 QVQQAZULRHEKEJ-SECBINFHSA-N 237.686 2.694 30 20 BFED CC(C)[C@@H]1C[C@H]1/N=C\c1cc([N+](=O)[O-])ccc1O 840712424 YQXNCVCKAAOHBW-KMNMOCJZSA-N 248.282 2.764 30 20 BFED CO[C@H](CC(C)C)CN(CCC#N)CC(C)C 842150230 PBTQYNMIOQLGIR-CQSZACIVSA-N 240.391 2.919 30 20 BFED C/C=C(\C)COC(=O)c1ccc(C=NOC)cc1 842852700 OQHCLINNKDXJMF-HKPFRAKASA-N 247.294 2.790 30 20 BFED C=C(C)CONC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 846533885 HBBBVTXUKNYKCW-HIFRSBDPSA-N 245.322 2.804 30 20 BFED C#C[C@H](C)Nc1cc(C(F)F)nc(SC)n1 848681571 IMWYDZUYNHTYLL-LURJTMIESA-N 243.282 2.570 30 20 BFED CC(C)=CCCOC(=O)c1cc(C#N)[nH]c1C 849793790 LIJBHELYMJYXDO-UHFFFAOYSA-N 232.283 2.708 30 20 BFED CC[C@@H](C)C(=O)O[C@H](C)CC(C)(C)C#N 851212524 SSAWMODZRFEQMR-NXEZZACHSA-N 211.305 2.904 30 20 BFED C#C[C@@](C)(CC)NC[C@@H]1CC1(Cl)Cl 852097667 UEJCDIQYTAUMTL-IUCAKERBSA-N 220.143 2.572 30 20 BFED C#CCCN1CCC[C@@H]1c1ccc(OC)c(F)c1 852521220 NKJNELBUQNDHPP-CQSZACIVSA-N 247.313 2.995 30 20 BFED C#Cc1cccnc1NC1CCCCC1 853082550 JNMZSUILOPAEBA-UHFFFAOYSA-N 200.285 2.808 30 20 BFED CCc1ccccc1NC(=O)CON=CC1CC1 853735723 YTFBEOHWHUAMQZ-UHFFFAOYSA-N 246.310 2.600 30 20 BFED C=CCCONC(=O)C[C@@H]1CCC[C@H](C)C1 856031220 IFXQTARIVTWTCW-NWDGAFQWSA-N 225.332 2.827 30 20 BFED C#CCCOC(=O)NCC(C)(C)c1ccccc1 858896292 VVAYQYFWTPIDKM-UHFFFAOYSA-N 245.322 2.714 30 20 BFED C[C@H](C#N)COC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 860614930 PJOWXQCQGNYKQH-BLFANLJRSA-N 221.300 2.516 30 20 BFED c1nc2c(s1)CCCC2=NOCC1CC1 863115490 QCDDKNUHUZCMRD-UHFFFAOYSA-N 222.313 2.610 30 20 BFED CC(C)(C)SCCCN1CC[C@](F)(C#N)C1 878490876 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CCC(Cc1cccs1)=NN(C)CCOC 794967015 ZGPNVHCIQFOMLR-UHFFFAOYSA-N 240.372 2.635 30 20 BFED Cc1ccc2c(c1)CCC2=NNc1cncnc1 794979909 YODGQKPRJMMSRZ-UHFFFAOYSA-N 238.294 2.547 30 20 BFED COCCCON=C(C)c1cc(F)cc(F)c1 795041272 AVEISXAFMBCGJM-UHFFFAOYSA-N 243.253 2.742 30 20 BFED Cc1cc(C)nc(NN=C[C@@H]2CC[C@@H](C)C2)n1 800803900 PEBYCBDLAFOBCW-BXKDBHETSA-N 232.331 2.927 30 20 BFED FCCC[C@H]1CCCC1=NNc1cnccn1 800810144 MEBXGCSXRZORKK-SNVBAGLBSA-N 236.294 2.794 30 20 BFED CSC1(C=NOCC(F)(F)F)CCC1 800814823 ZRPVDCVUGLPLQX-UHFFFAOYSA-N 227.251 2.837 30 20 BFED CC#CC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 801161661 PUKGTPXXHAZLES-ZFWWWQNUSA-N 241.334 2.662 30 20 BFED CC#CC(=O)Nc1ccc2occ(C)c2c1 801202233 ZTSADGFWHMLICV-UHFFFAOYSA-N 213.236 2.703 30 20 BFED Cc1ccc([C@@H](C)N(C)CCO[C@H](C)C#N)cc1 801915181 OGSONFHWTLJHAY-ZIAGYGMSSA-N 246.354 2.917 30 20 BFED C#Cc1cc(F)c(NCc2ncc(C)o2)c(F)c1 802745247 QQCNXNFRATYXPH-UHFFFAOYSA-N 248.232 2.855 30 20 BFED C#CCN(Cc1ccccc1)C(=O)/C=C/SC 804835099 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2.756 30 20 BFED C=CCCCCOC(=O)C[C@@H]1CCCC[C@H]1O 837696377 DHUPVDTURCGKBH-QWHCGFSZSA-N 240.343 2.827 30 20 BFED CCC[C@@H](CC(C)C)C(=O)O[C@@H](C#N)COC 838250655 AYXSTCRXWCKERQ-RYUDHWBXSA-N 241.331 2.531 30 20 BFED C[C@H](OC(=O)C#CC(C)(C)C)c1cccnc1 838372555 QFLHTZBRUBTUBE-NSHDSACASA-N 231.295 2.735 30 20 BFED C=CCONC(=O)N[C@H]1CCCC[C@@H]1CCC 838707398 JZDYEHHNIAXNON-RYUDHWBXSA-N 240.347 2.762 30 20 BFED C#CCCCN[C@@H](C(C)C)C1(CO)CCCC1 839070326 KFMIDYFMWQXELH-AWEZNQCLSA-N 237.387 2.567 30 20 BFED C#CCCCCCC(=O)N(C)c1ccc(F)cn1 839415969 DXIXULYGAPHOMY-UHFFFAOYSA-N 248.301 2.767 30 20 BFED C=C(Cl)CN[C@@H](C)c1nc(C(C)(C)C)no1 839555979 SDBKLAVBWLATQC-QMMMGPOBSA-N 243.738 2.770 30 20 BFED CCCCCCCn1ccn2c(=O)cc(C)nc12 842104091 KZFWHWZCSZZOPP-UHFFFAOYSA-N 247.342 2.775 30 20 BFED Cc1ccccc1C1CC(=NN(C)[C@H](C)CO)C1 842541165 PHJZOYMREXQBQQ-PZORYLMUSA-N 246.354 2.541 30 20 BFED CCC(C[C@H](C)CC)=NN(C)[C@H](C)CO 842543660 MQUZHLULLCYRLK-GHMZBOCLSA-N 214.353 2.501 30 20 BFED N#CC1(OC(=O)/C=C\C2CCCC2)CCC1 842731790 BTINSNKXQPMVAS-SREVYHEPSA-N 219.284 2.722 30 20 BFED C=C(C)CON=C1CC[C@@H](CC(=O)OC)[C@H]1C 844618600 XXCFOLCHBYVTTQ-MNOVXSKESA-N 239.315 2.544 30 20 BFED CC#CCCOC(=O)[C@H]1CCc2ccccc2C1 845216752 UJSMPJYHKFENDO-HNNXBMFYSA-N 242.318 2.748 30 20 BFED Cc1cc(C#N)ccc1N1CCOC2(CCC2)C1 846750291 PBUDDRGLLHGXGG-UHFFFAOYSA-N 242.322 2.626 30 20 BFED C#C[C@@H](NC(=O)[C@](C)(F)CCCC)C(C)C 847112964 GMPJJYUIBIITJR-DGCLKSJQSA-N 227.323 2.679 30 20 BFED C=C(C)CON=C1CCc2c1cccc2[N+](=O)[O-] 848414275 XTWQWZGKHVLHLW-UHFFFAOYSA-N 246.266 2.838 30 20 BFED N#Cc1ccc(C(=O)OCCCC2CCC2)o1 849781849 QPQPQCOIWXPMHF-UHFFFAOYSA-N 233.267 2.888 30 20 BFED C=CCCN[C@@H](C)c1cccc(OC)c1O 850501843 HABKJXLASOXHRG-JTQLQIEISA-N 221.300 2.628 30 20 BFED C#CCOCCN1c2ccccc2SC[C@@H]1C 851852295 KXKUVCHNGSHZMD-LBPRGKRZSA-N 247.363 2.637 30 20 BFED CC[C@@H]1COCC1=NNc1ccccc1 853254990 OSDDUFFKLXAZRD-SNVBAGLBSA-N 204.273 2.511 30 20 BFED N#Cc1nc(S[C@@H]2CCOC2)sc1Cl 853532752 LNHYWNSCWRXDRC-RXMQYKEDSA-N 246.744 2.549 30 20 BFED C=CCONC(=O)[C@]1(c2ccccc2)CC1(C)C 854853147 YFMIABLHCMIVLA-OAHLLOKOSA-N 245.322 2.588 30 20 BFED C#CCC(C)(C)C(=O)Nc1cc([C@@H]2C[C@H]2C)[nH]n1 855002318 SJNYDLHZTPRHEO-NXEZZACHSA-N 245.326 2.521 30 20 BFED CCCCCCCC(=O)NCC[C@H](C)N(C)C 855411214 NKSJMUDOVRYMLC-ZDUSSCGKSA-N 242.407 2.803 30 20 BFED C=CCCOC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 860190235 RKQWYVZJUPQJTM-GVXVVHGQSA-N 208.301 2.932 30 20 BFED CC1(C)CCC[C@@H]1NN=C1CC[C@@H]2C[C@H]12 872372489 ZEGISCWPNVGETM-SCVCMEIPSA-N 206.333 2.941 30 20 BFED CC(CCc1ccc(F)cc1)=NN1CCC1 872396099 RMNRSOAKIRUEMG-UHFFFAOYSA-N 220.291 2.840 30 20 BFED N#C[C@@H]1CC[C@@H](Nc2cccc3nccnc23)C1 877762985 MFEBLQGPIANWQX-GHMZBOCLSA-N 238.294 2.734 30 20 BFED Oc1ccccc1/C=N\C[C@@H]1C=CCC1 887268287 HVBKENMYBWSTLK-UXEDPAHQSA-N 201.269 2.777 30 20 BFED C=C1CCC(C(=O)N[C@@](C)(C#N)CC)CC1 889654723 BOZBOUZNFVZASO-CYBMUJFWSA-N 220.316 2.541 30 20 BFED CC[C@@H]1CCCN(c2cc(C)cc(C#N)n2)C1 891783206 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C=CCn1c(CCC)nnc1N1CC[C@@H](C)[C@@H]1C 1121515768 POOQPENEAVRIAC-NEPJUHHUSA-N 248.374 2.651 30 20 BFED CC[C@H](C)[C@@H](C)C(=O)[C@@H](C#N)c1nccn1CC 1123234186 RNJUFKKMUMLCLQ-QJPTWQEYSA-N 247.342 2.761 30 20 BFED C#CCN(CC1CCCCC1)CC1CC1 1253563751 WLOFCYIYEQEGSV-UHFFFAOYSA-N 205.345 2.912 30 20 BFED C=CC[C@H](N[C@H](C)C1CCCC1)C(=O)OCC 1256332714 URVDGHYFJDVOAN-YPMHNXCESA-N 239.359 2.663 30 20 BFED N#CCCCSCc1ccc(F)cn1 1320981361 JPYQMTIQQMOZLW-UHFFFAOYSA-N 210.277 2.758 30 20 BFED N#Cc1ccc(-c2nnc(-c3ccncc3)o2)cc1 1322453986 POSZJBCXAFPFPA-UHFFFAOYSA-N 248.245 2.670 30 20 BFED C#C[C@H](CCC)NC[C@@H](O)[C@@H](C)c1ccccc1 1335476972 LHECIMDWGBSZEK-NUEKZKHPSA-N 245.366 2.543 30 20 BFED C#Cc1ccc(N[C@@H]2CCC[C@@H]2C)nc1 1336513921 LYRCUVVZFJKRBR-CMPLNLGQSA-N 200.285 2.663 30 20 BFED C=CC[C@H](N[C@@H](C)CC1CCCC1)C(=O)O 1339135591 PVIUGNBBKTXQPX-JQWIXIFHSA-N 225.332 2.574 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Oc1cccc(C)c1 1342094039 TUJSAMHGAXZWSF-KBPBESRZSA-N 246.306 2.882 30 20 BFED C=C(CC)C(=O)N1C[C@H](C2CC2)[C@@H]1C1CC1 1347149741 UZIVJHVHTBWCLK-OLZOCXBDSA-N 219.328 2.600 30 20 BFED C=C(C)[C@H](C)OC(=O)[C@@H]1CCOC2(CCC2)C1 1347260152 JUYZDXNTMAVPAD-NWDGAFQWSA-N 238.327 2.844 30 20 BFED C=C(CC(C)C)C(=O)NC[C@@H]1CCCS1 1348102268 PHHNILCYUJNSCO-NSHDSACASA-N 227.373 2.601 30 20 BFED C=CC[C@H](CC)NC(=O)c1ccnn1[C@@H](C)CC 1348417029 LBRSUHBDHKGPKA-RYUDHWBXSA-N 249.358 2.939 30 20 BFED CC(F)(F)C1(C(=O)OCCCCC#N)CC1 1350130309 MDOXBJAVOMSREF-UHFFFAOYSA-N 231.242 2.659 30 20 BFED C=CC[C@@H](C(=O)O)N1CCCCCCCC1 1573350102 BGBCYQRPEINYHQ-LBPRGKRZSA-N 225.332 2.672 30 20 BFED CC[C@H](C)C[C@H](/N=C\c1ccccc1O)C(=O)O 1594937425 UDTKKXRAJGIWFK-QCVCZCSCSA-N 249.310 2.701 30 20 BFED Cc1cnc(Nc2cccc(CC#N)c2)nc1 1612391189 ATFZGHBCNGWKTI-UHFFFAOYSA-N 224.267 2.595 30 20 BFED CCCCC1CCC(C(=O)NCC#N)CC1 37714234 IHHWDSNJEKFZOV-UHFFFAOYSA-N 222.332 2.623 30 20 BFED CCCC[C@@H](CC)C(=O)N[C@@H](C#N)CC 40350893 WLOLXJQTHMYIFX-GHMZBOCLSA-N 210.321 2.621 30 20 BFED N#Cc1cccc(CNC(=O)C2CCCCC2)c1 45213393 HPEYXBFENDXZMX-UHFFFAOYSA-N 242.322 2.755 30 20 BFED C#CCNC(=O)c1ccc(SC(C)C)cc1 48224043 ZOMGYCQTYXQYKA-UHFFFAOYSA-N 233.336 2.550 30 20 BFED C=C(Cl)CN(CCC#N)CC(C)C 49800845 FFIBZNKHPZYEME-UHFFFAOYSA-N 200.713 2.611 30 20 BFED N#CCN1CCC(c2ccc(F)cc2)CC1 57499206 JRNUIIOXOJCJDL-UHFFFAOYSA-N 218.275 2.529 30 20 BFED C=CCSc1nc(-c2ccccc2F)n[nH]1 57519543 ZEDAPCDLBFBILT-UHFFFAOYSA-N 235.287 2.889 30 20 BFED Cc1cc(C)c(C(=O)N(C)[C@H](C)CC#N)c(C)c1 63093993 RFLATJIGFWWCEB-CYBMUJFWSA-N 244.338 2.986 30 20 BFED CC(C)N(CC#N)Cc1ccccc1F 70216242 HSULSNPKGKYSJA-UHFFFAOYSA-N 206.264 2.560 30 20 BFED C=C(Cl)CN(C)CC[C@H]1CCCCN1C 75861393 CSIPAVPCRZZONJ-GFCCVEGCSA-N 230.783 2.545 30 20 BFED Cc1ccc(CN(C)[C@H](C)CC#N)s1 76342168 BBXBALQLZIPYRP-SECBINFHSA-N 208.330 2.791 30 20 BFED CCc1ccc(OC(=O)C(C)(C)C#N)cc1 79763545 SJJJGUYEVDOZKK-UHFFFAOYSA-N 217.268 2.704 30 20 BFED C[C@@H]1CCC[C@@H](N(C)c2cccc(C#N)n2)C1 80117606 ZPPWBZZALIUKKQ-DGCLKSJQSA-N 229.327 2.968 30 20 BFED 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C/C(=C/CSc1ccccc1C#N)C(=O)O 825793179 OIBBCSFBURADJJ-TWGQIWQCSA-N 233.292 2.681 30 20 BFED CCCNN=C1CCC(CSC)CC1 834940263 BHFGHSKTHXUEBK-UHFFFAOYSA-N 214.378 2.895 30 20 BFED CC[C@@H](C)[C@@H](C=NNc1cc(C)ccn1)OC 834964841 QHYDNKKNPMFESU-VXGBXAGGSA-N 235.331 2.849 30 20 BFED C=CCON=C1CCCC[C@@H]1N1CCCCC1 835015596 LNSOIMUNIJMLAK-AWEZNQCLSA-N 236.359 2.974 30 20 BFED C=CCONC(=O)C[C@@H](CC)CCCC 837047821 JGIDDHBLBFUGDT-NSHDSACASA-N 213.321 2.827 30 20 BFED CC[C@@H](C)[C@@H](C)NC(=O)C#CC(C)(C)C 837365626 NSNXSLDJIJLUTR-GHMZBOCLSA-N 209.333 2.587 30 20 BFED CC(C)[C@H]1CCCN1C(=O)C#CC(C)(C)C 837366208 TTXZIFNQJNJGDX-GFCCVEGCSA-N 221.344 2.683 30 20 BFED C#CCC[C@H](C)OC(=O)c1ccnc(C2CC2)c1 839043292 PWQVRLKIIHLRPF-NSHDSACASA-N 243.306 2.918 30 20 BFED CC(C)[C@@H]1C[C@H]1C/N=C\c1cccc(O)c1O 840708275 FAQUJSMHXOHSOF-QLTPJQJZSA-N 233.311 2.809 30 20 BFED CC(CCCCC#N)=NNCCC(F)(F)F 841636999 RNOAVMOKDUHUIQ-UHFFFAOYSA-N 235.253 2.988 30 20 BFED CC#CCCCC(=O)OC[C@@H](CC(C)C)OC 842093996 RNDMCAZXIROEHJ-CYBMUJFWSA-N 240.343 2.784 30 20 BFED CC(=NN(C)[C@H](C)CO)[C@H]1CCCC[C@@H]1C 842538547 MDIUYTPREQVBNA-LOWVWBTDSA-N 226.364 2.501 30 20 BFED C[C@@H](CO)N(C)N=CC1CCC(C)(C)CC1 842542773 VGTSMPLTOKPMQN-NSHDSACASA-N 226.364 2.501 30 20 BFED C=C(Cl)CN(C)c1ccc(OC)cc1 844352910 CHXWZHAPFUCRFE-UHFFFAOYSA-N 211.692 2.884 30 20 BFED C=C[C@H](C)ON=Cc1scnc1C1CC1 844626594 XSZZJQCQFKRJLR-QMMMGPOBSA-N 222.313 2.946 30 20 BFED C=C[C@@H](C)ONC(=O)[C@H](CC)Cc1ccccc1 846544156 DXYGPOLPQKMWHN-TZMCWYRMSA-N 247.338 2.878 30 20 BFED C1CC(=C2CCC(=NN3CCOCC3)CC2)C1 853260287 MUMZKGHPUQLDAX-UHFFFAOYSA-N 234.343 2.729 30 20 BFED CC(=NN[C@H]1CCCCC1(C)C)c1cnc[nH]1 853340671 FDYSDNOMKRMAMU-LBPRGKRZSA-N 234.347 2.692 30 20 BFED C#Cc1cccnc1NCC1CC(C)(C)C1 853510342 CFJAECCWZOUFHB-UHFFFAOYSA-N 214.312 2.911 30 20 BFED C=CC(C)(C)CNC(=O)c1nccc2[nH]ccc12 854817474 RJMSDDOIVKIXGN-UHFFFAOYSA-N 243.310 2.505 30 20 BFED C#CC[C@@H](CCOC)NCc1cccc(CC)c1 858334782 RPLZSCZGEGIPHO-INIZCTEOSA-N 245.366 2.767 30 20 BFED C#C[C@@H](NC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2)C(C)C 861514641 RMMNWTKUPZPUFN-RMRHIDDWSA-N 233.355 2.587 30 20 BFED CC[C@H](C=NN1CCOC1=O)c1ccccc1 863161028 GVDYZINCIWBNHC-LLVKDONJSA-N 232.283 2.618 30 20 BFED CC(C)c1nn(C)cc1-c1cc(C#N)ccc1O 863692276 UFXVZEGZOPVTJC-UHFFFAOYSA-N 241.294 2.788 30 20 BFED C=C1CCN(C(=O)Nc2cc(C)ccn2)CC1 865932319 RSPCZXHYZLQKGP-UHFFFAOYSA-N 231.299 2.574 30 20 BFED C#CCCCCCCN[C@H](C)[C@@H](C)OC 877540490 AJFLFFHSGYWIKQ-CHWSQXEVSA-N 211.349 2.583 30 20 BFED C=C/C=C/CCNC(=O)[C@@]1(C#N)CC12CCCC2 881566695 FDGHGFLJJNFMIQ-BWPKMQGJSA-N 244.338 2.709 30 20 BFED C=CC(C)(C)CNCc1ccc2oc(=O)oc2c1 883134667 FZLJBLQQJSFIJY-UHFFFAOYSA-N 247.294 2.688 30 20 BFED CCCSC[C@@H](C)NCC(C)(C)C#N 893550946 IXHPMYILKVPOEI-SNVBAGLBSA-N 214.378 2.657 30 20 BFED N#C[C@@H]1CCCN(Cc2cccc3cc[nH]c23)C1 896505517 ZOGVLFCPFALEMX-LBPRGKRZSA-N 239.322 2.903 30 20 BFED C=C1CCC(C(=O)N(OC)[C@H](C)CC)CC1 897044745 YWXGKMXCHUPECE-LLVKDONJSA-N 225.332 2.921 30 20 BFED C#Cc1ccc(C(=O)N2CC(CC)(CC)C2)cc1 897850241 OTLCCXWPDURRFX-UHFFFAOYSA-N 241.334 2.930 30 20 BFED N#CCCCC[S@](=O)Cc1ccsc1 899438762 WNQRZPQQWCTETA-AWEZNQCLSA-N 227.354 2.691 30 20 BFED C#CCCCCNC(=O)/C(F)=C(\C)C1CC1 901035311 RKHZFQIYZYTOBA-BENRWUELSA-N 223.291 2.560 30 20 BFED C=CCC1(C(=O)N=S(C)(C)=O)CCCCC1 913639940 AKMGOJOLWJZCMN-UHFFFAOYSA-N 243.372 2.767 30 20 BFED CCC(C[C@H](C)CC)=NNC(=S)NC1CC1 915944371 GHCGYOIXJONMTN-SECBINFHSA-N 241.404 2.815 30 20 BFED CC(=NNc1ccccn1)c1ccc(C)o1 916276337 XOIPWHRXPXTJSX-UHFFFAOYSA-N 215.256 2.819 30 20 BFED C=C(C)COCCN[C@H](C)c1c(C)noc1C 925530300 CWFMCOUEOCPVMS-SNVBAGLBSA-N 238.331 2.535 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1cc(CCC)nn1C 935224581 QXYOUFOKYXATOK-NSHDSACASA-N 249.358 2.913 30 20 BFED C=CCN(C(=O)C[C@H](C=C)CC)C1CC1 935224631 SPKCTTMFAYMIRZ-LLVKDONJSA-N 207.317 2.766 30 20 BFED C#Cc1ccc(N(C)[C@@H](C)C(C)C)nc1 1120806254 WRRZSIBOIHCUSP-NSHDSACASA-N 202.301 2.544 30 20 BFED C#Cc1ccc(N(C)[C@H](CC)CSC)nc1 1120829837 IECSMWSXFKCXPX-GFCCVEGCSA-N 234.368 2.641 30 20 BFED C=CCCC(=O)COC(=O)C1(C(C)(F)F)CC1 1261600151 UTHLDGLVUCHEST-UHFFFAOYSA-N 246.253 2.500 30 20 BFED CC(C)(C)ON=Cc1ccc(N2CCCC2)nc1 1320325096 HDENGPFIKMBJFR-UHFFFAOYSA-N 247.342 2.831 30 20 BFED C#CCC(C)(C)C(=O)NC[C@@H]1CCCC1(F)F 1330690505 BBZLEZQILJSTHY-JTQLQIEISA-N 243.297 2.588 30 20 BFED CCN(C(=O)/C=C/c1cccs1)[C@@H](C)C#N 1330965129 AZPSTGQGXRWOJW-FGEFZZPRSA-N 234.324 2.522 30 20 BFED C=CCn1cnnc1SCC1(C#N)CCCC1 1333483598 QQIPQRKMAFDZGK-UHFFFAOYSA-N 248.355 2.640 30 20 BFED C=C(C)CCC(=O)N1CCCC[C@@H]1C(=O)CC 1338927757 WSMQKUWMMREIOS-GFCCVEGCSA-N 237.343 2.703 30 20 BFED C=C(C)[C@H](C)OC(=O)C1(C(C)(F)F)CC1 1343385478 MCYOXWHUNAUMRO-QMMMGPOBSA-N 218.243 2.930 30 20 BFED Cc1csc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)c1 1344659339 YLSRIWNLYVMDFB-NXEZZACHSA-N 235.308 2.906 30 20 BFED C=C[C@H](C)ON=Cc1ccc(F)c(OC)c1 1346129283 ZZTGRFKHHAVOFU-VIFPVBQESA-N 223.247 2.759 30 20 BFED C=C(CC)C(=O)N[C@@H](C#N)C1CCCCC1 1346871194 HYHGLWYXJCDFTG-LBPRGKRZSA-N 220.316 2.541 30 20 BFED Cc1ccoc1C(=O)[C@@H](C#N)c1cccc(F)n1 1347123430 LITXIBIYMVCWQG-VIFPVBQESA-N 244.225 2.612 30 20 BFED C#Cc1ccc(N2[C@@H](C)CC[C@H]2CC)nc1 1354152128 NPOKIHQYPFVRHV-WCQYABFASA-N 214.312 2.830 30 20 BFED Cc1ncccc1NC(=O)c1csc(C#N)c1 1360908448 DNKKRGBZAZPOKS-UHFFFAOYSA-N 243.291 2.576 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)[C@@H]1CCC(F)(F)C1 1518547829 IJHRXZFNYCEURS-ZJUUUORDSA-N 244.285 2.572 30 20 BFED C[C@@H](c1cccc(C#N)c1)N(C)c1cnccn1 1559218805 RDTHOANINNKPEB-NSHDSACASA-N 238.294 2.546 30 20 BFED C=CCC[C@H]1CCCN1c1ccc(C(=O)O)cn1 1588781829 JRNMAVFBXOKHQZ-LBPRGKRZSA-N 246.310 2.715 30 20 BFED Cc1cc(C#N)cc(C)c1CSCCC(=O)O 1594274109 QUDSOTPSEKICCQ-UHFFFAOYSA-N 249.335 2.883 30 20 BFED CCNc1ccccc1CN1CC[C@](F)(C#N)C1 1652206925 XBHMKSMXGWRIAO-AWEZNQCLSA-N 247.317 2.556 30 20 BFED N#Cc1ccc(CN2CCCCC2)c(F)c1 19425184 XSKIHXARYBUQHI-UHFFFAOYSA-N 218.275 2.683 30 20 BFED COc1ccc(CC[C@@H](C)NCCC#N)cc1 37240180 JABJAUBZQVJGSZ-GFCCVEGCSA-N 232.327 2.520 30 20 BFED Cc1cc(NC(=O)CC#N)ccc1Cl 38951791 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C=CCCC(=O)Oc1cc([N+](=O)[O-])ccc1C 102232011 YWLVVNASQPPOLH-UHFFFAOYSA-N 235.239 2.775 30 20 BFED CC[C@H](C)[C@](C)(O)CNc1ccc(C#N)cc1 112334117 GCBDCNHPXLRJIL-SMDDNHRTSA-N 232.327 2.767 30 20 BFED C=CCN(C)C(=O)Nc1cccc(Cl)c1 122367993 GWCCAWWNIJLFTA-UHFFFAOYSA-N 224.691 2.990 30 20 BFED C#CCCCOc1cc(C)c([N+](=O)[O-])cc1F 123658459 ZFHXIUMGFZPVEU-UHFFFAOYSA-N 237.230 2.835 30 20 BFED C=CCCO[C@@H](C)C(=O)Oc1ccccc1F 125006716 NLDMROVCACFBRO-JTQLQIEISA-N 238.258 2.712 30 20 BFED CCN(CCC#N)Cc1cnc(C2CC2)s1 127673488 GGAZEBGPJNNGFJ-UHFFFAOYSA-N 235.356 2.756 30 20 BFED C=CCCN(C)CC(=O)Nc1c(C)cccc1C 132345992 NYKIUPURBFQVMH-UHFFFAOYSA-N 246.354 2.750 30 20 BFED N#Cc1ccc(CNCCCc2ccccc2)o1 135123857 DMGOPYOTKUQKFO-UHFFFAOYSA-N 240.306 2.874 30 20 BFED CSCC[C@H](C)Nc1ccc(C#N)nc1 135503692 RFNKUUYLJQMXIU-VIFPVBQESA-N 221.329 2.507 30 20 BFED C=C[C@H](C)NC(=O)Nc1ccc(F)cc1F 150832773 BATSXHNODUCUPA-ZETCQYMHSA-N 226.226 2.661 30 20 BFED CC(C)C[C@@H]1CCCN(C(=O)C2(C#N)CCC2)C1 152191924 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C=CCC[C@@H](CC)NC[C@H]1CCCOC1 178429022 CXPHGAWBWGFUJQ-CHWSQXEVSA-N 211.349 2.747 30 20 BFED C=CCN[C@@H](c1ncc(C)s1)C1CC1 185328847 XPPAMWOKEYYOIS-SNVBAGLBSA-N 208.330 2.678 30 20 BFED C#C[C@@H](C)/N=C(\N)Nc1c(CC)cccc1CC 187048291 AEFLMTWYUBYFIV-LLVKDONJSA-N 243.354 2.560 30 20 BFED C[C@H]1CC[C@H](COc2cccc(F)c2C#N)O1 188533785 XYVLALZMQIZMLE-VHSXEESVSA-N 235.258 2.644 30 20 BFED CCC(C)(C)N(CCC#N)C(=O)[C@H](C)SC 189927665 RIWPMRLDAVOCLY-JTQLQIEISA-N 242.388 2.669 30 20 BFED C=CCCCN(C1CC1)[C@@H](CC)C(=O)OCC 190624504 HLZGAVJKWXWYAF-ZDUSSCGKSA-N 239.359 2.759 30 20 BFED C#CCOc1ccccc1NC(=O)/C(=C/C)CC 191047387 KWMJAQTUQDJANV-LFYBBSHMSA-N 243.306 2.993 30 20 BFED C#Cc1cccc(N[C@H]2CCOC[C@H]2C)c1 192735434 DYQZNHHLUWSYEI-RISCZKNCSA-N 215.296 2.505 30 20 BFED C=CCSCC(=O)NCC1CCCCC1 193353743 WXEAMECUSKTQFX-UHFFFAOYSA-N 227.373 2.602 30 20 BFED C=CCSCCNC(=O)CC1CCCC1 194491624 KLYNRONYKBSSIE-UHFFFAOYSA-N 227.373 2.602 30 20 BFED Cn1ccc(/C=C\C(=O)c2ccc(Cl)cc2)n1 210304210 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223.279 2.874 30 20 BFED C=CCOCCCN[C@@H](C)C1CCCC1 336747696 CRIXKPLJEAOQRM-LBPRGKRZSA-N 211.349 2.747 30 20 BFED N#CCCCCN[C@@H]1CCCC[C@@H]1OC(F)F 337385155 FNJCOWIYBUQXLX-MNOVXSKESA-N 246.301 2.820 30 20 BFED CC#CCN(C)Cc1ncc(Cl)cc1Cl 339757416 RACQZHQMBAEMMT-UHFFFAOYSA-N 243.137 2.844 30 20 BFED C=CC[C@@H](CO)CN[C@H](CC)c1ccccc1 341882898 HNWZLEMMYWEEHT-UKRRQHHQSA-N 233.355 2.912 30 20 BFED C=CCOCCCSCc1cccnc1 342010668 BPUQNJWNXZKBGO-UHFFFAOYSA-N 223.341 2.908 30 20 BFED CCOc1ccccc1CN(C)CC1(C#N)CC1 343140662 OBDGSHDDXRSGPY-UHFFFAOYSA-N 244.338 2.821 30 20 BFED C=CCCC[C@@H](C)NC(=O)N(C)C[C@@H](C)C#N 343813023 NWJQXBKQXZYMKL-NWDGAFQWSA-N 237.347 2.532 30 20 BFED C=C[C@](C)(CC)C(=O)N(CC)CC1CC1 344022218 WEWOQCMVWIFTNZ-CYBMUJFWSA-N 209.333 2.847 30 20 BFED C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1c1ncc[nH]1 344446469 BMFJBIDIHKVEML-RYUDHWBXSA-N 247.342 2.676 30 20 BFED C=CCOCCCC(=O)N(C)[C@H]1CC[C@@H](C)C1 346935851 OEPJRMQSXKNKCS-OLZOCXBDSA-N 239.359 2.616 30 20 BFED N#CCCCCSCCOCC(F)(F)F 350652104 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2.679 30 20 BFED C=C(C)Cn1c(C(C)C)nnc1N1CC=CCC1 642726156 GTMHXGIXDLVREV-UHFFFAOYSA-N 246.358 2.744 30 20 BFED C=CCCCN(C)c1ccc(CCC)nn1 663638758 RIGSCWJMHBUZOE-UHFFFAOYSA-N 219.332 2.832 30 20 BFED CCC#C[C@H](C)N1CCC[C@@H](OCC2CC2)C1 681697087 VOGGXLVLYJRDPJ-DZGCQCFKSA-N 235.371 2.679 30 20 BFED C#CC1CCN(C(=O)[C@@H]2CCCC2(C)C)CC1 692286668 GOTXYVJMPSNHMG-ZDUSSCGKSA-N 233.355 2.685 30 20 BFED N#CC1CCN(C(=O)OC2CCCCC2)CC1 704338596 RDRFGGOLJVRUMC-UHFFFAOYSA-N 236.315 2.691 30 20 BFED C#CCN(C(=O)Nc1cccc(F)c1)C(C)C 708406921 FBZRSDNFPDVXSD-UHFFFAOYSA-N 234.274 2.701 30 20 BFED C#CCCCOC(=O)CC1CCCCC1 727040764 RWRPRMPOBPSZQR-UHFFFAOYSA-N 208.301 2.913 30 20 BFED C#CCCOC(=O)c1cc(-c2ccccc2)no1 727042127 SEERQLRZLPCOFM-UHFFFAOYSA-N 241.246 2.522 30 20 BFED Cc1ncccc1C=NNCc1ccccc1 728780039 UFUZOSMAECAONL-UHFFFAOYSA-N 225.295 2.514 30 20 BFED C#Cc1ccc(C(=O)OCC2CCCCC2)cn1 729029184 NACZIOYENGRDDQ-UHFFFAOYSA-N 243.306 2.800 30 20 BFED N#CCCCOC(=O)c1ccc2[nH]ccc2c1 730855656 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C#CCC(C)(C)C(=O)N[C@@H](C)Cc1ccsc1 767067006 DRMHXRUQFBDMKP-NSHDSACASA-N 249.379 2.845 30 20 BFED C#C[C@@H](C)NC(=O)[C@H](CC(C)C)c1ccccc1 772968395 FYGQXFRMYZHSCX-UKRRQHHQSA-N 243.350 2.954 30 20 BFED C#C[C@@H](C)N(C)Cc1ccc(C)c(F)c1 775183985 QTLPXTSOICTDMB-LLVKDONJSA-N 205.276 2.588 30 20 BFED C#C[C@H](NCc1ccc(C)c(C)c1)[C@@H]1CCCO1 775340512 GZDHWZDUAYKBIW-HOTGVXAUSA-N 243.350 2.574 30 20 BFED C#C[C@H](NC1CCC(C(C)C)CC1)[C@H]1CCCO1 775572670 CIOXUQRCUPAYHU-SSHXOBKSSA-N 249.398 2.972 30 20 BFED Cc1ccncc1CCC=NNC1CCCC1 776729007 GRHNUCCZEXEFQX-UHFFFAOYSA-N 231.343 2.841 30 20 BFED CC(Cc1ccccc1F)=NNCC(F)(F)F 780241157 MEVYSDOSBDFLGM-UHFFFAOYSA-N 248.223 2.896 30 20 BFED CC(C)=CCSc1ccccc1C(=O)NO 782172333 RCAVCXJMTRMXQT-UHFFFAOYSA-N 237.324 2.864 30 20 BFED Cn1cc(NN=Cc2sccc2Cl)cn1 782286522 XMTLJMLWEBOINC-UHFFFAOYSA-N 240.719 2.581 30 20 BFED CC1(C)CCC[C@@H]1NN=Cc1ccc(F)nc1 782289197 UQHMGEMSKXYIJB-NSHDSACASA-N 235.306 2.723 30 20 BFED N#C[C@H](OC(=O)[C@@H]1CCC=CO1)C1CCCCC1 787040161 JZCPFVLQZVAAKA-STQMWFEESA-N 249.310 2.695 30 20 BFED N#C[C@@]1(F)CCN(Cc2cc(Cl)cs2)C1 787284660 VTVZNXSZHADMML-JTQLQIEISA-N 244.722 2.839 30 20 BFED CC[C@@H](C)NN=Cc1cc(Cl)cc(F)c1O 790183818 OPFRCMXFFZDNEO-SSDOTTSWSA-N 244.697 2.907 30 20 BFED C=CC[C@H](C)NC(=O)C1=C(CC)OCCC1 790651147 OISLLGWAOYADJL-JTQLQIEISA-N 223.316 2.542 30 20 BFED C#C[C@H](CCC)NC(=O)CCSCCCC 791740269 AMULWOFWUFIPLW-GFCCVEGCSA-N 241.400 2.828 30 20 BFED CSCCON=C(C)c1cccc(C#N)c1 794573419 ANZJNPLTPOZKPC-UHFFFAOYSA-N 234.324 2.662 30 20 BFED CC(=NNc1cncnc1)c1cc(F)ccc1F 794978932 SNVITDOORKFBCX-UHFFFAOYSA-N 248.236 2.591 30 20 BFED C=CCNN=C(CC)c1ccc(N(C)C)cc1 794993711 FWMPQAQXDZSBRM-UHFFFAOYSA-N 231.343 2.642 30 20 BFED C=CCNC(=O)[C@H](C)SC/C(C)=C\Cl 797813787 MJPFSOPUZLXPES-XZLDQRQTSA-N 233.764 2.553 30 20 BFED CC(C)CC1(COC(=O)c2ccc(C#N)[nH]2)CC1 799665004 IKMSRJFNCCIAIQ-UHFFFAOYSA-N 246.310 2.869 30 20 BFED Cc1cccc(C(=O)/C=C/c2cn(C)cn2)c1C 800792903 DPEJQOCFMREDHI-BQYQJAHWSA-N 240.306 2.933 30 20 BFED C[C@@H](C#N)OCCNc1cccc2ccn(C)c12 802743985 JKIXWOULNZFSMC-NSHDSACASA-N 243.310 2.519 30 20 BFED C=C(C)CCOC(=O)c1c(F)ccc(F)c1N 803514583 DWKCRAPTTKNZQS-UHFFFAOYSA-N 241.237 2.670 30 20 BFED COc1ccc(OC)c(C(C)=NOC2CCC2)c1 812237267 RPTAPLAEBCFJCP-UHFFFAOYSA-N 249.310 2.997 30 20 BFED CCC(=NOCC1CC1)C1CCOCC1 814243213 LLYNPUFCEMDOMF-UHFFFAOYSA-N 211.305 2.606 30 20 BFED CC(C)[C@@H]1CC(=NOCC(F)F)CS1 814904046 OMBVQWWRJVIVPD-QMMMGPOBSA-N 223.288 2.786 30 20 BFED C=CCC(F)(F)C(=O)N1CCC[C@@H]2CCC[C@@H]21 815701490 RILQBYRUHMATSM-QWRGUYRKSA-N 243.297 2.989 30 20 BFED C=CCONC(=O)N[C@@H](C)CCCC(C)C 834920718 QBEOMEOWEIBRKP-NSHDSACASA-N 228.336 2.618 30 20 BFED CCC(=NNCCOC(C)C)c1ccsc1 834970318 MFFXTUDPOZJXOW-UHFFFAOYSA-N 240.372 2.877 30 20 BFED C=CCON=Cc1ncc(C(C)C)s1 835014098 AOBACWXVMUBTBT-UHFFFAOYSA-N 210.302 2.803 30 20 BFED C=CC(C)(C)C(=O)OCCCOC(C)C 835283960 BUQJJCNQVNMJFX-UHFFFAOYSA-N 214.305 2.557 30 20 BFED C=C[C@@H](C)OC(=O)c1coc2c1C(=O)CCC2 835328968 VXDBDMKREYPSSD-MRVPVSSYSA-N 234.251 2.530 30 20 BFED C=CC(C)(C)COC(=O)Cc1ccc(C)o1 835725112 WFMQTFAWRVTQOI-UHFFFAOYSA-N 222.284 2.886 30 20 BFED C=CCC1(CNC(=O)C[C@@H](C)OC)CCCC1 836990366 DYXSKVIAVMKGQO-GFCCVEGCSA-N 239.359 2.664 30 20 BFED C#Cc1cccc(NC(=O)C#CC(C)(C)C)c1 837324426 ZCRFBYZXNGHVOE-UHFFFAOYSA-N 225.291 2.656 30 20 BFED CC(C)CN(C(=O)C#CC(C)(C)C)C(C)C 837381998 QJDMTUGQNPZGIJ-UHFFFAOYSA-N 223.360 2.929 30 20 BFED C=CCCC(=O)OCC(=O)CCc1ccccc1 837492691 OBXHWHLCBPJTKH-UHFFFAOYSA-N 246.306 2.698 30 20 BFED C=CCCC(=O)COC(=O)C[C@@H]1CC[C@@H]2C[C@H]12 838128225 GDGKCHVISAHFKK-MDZLAQPJSA-N 236.311 2.501 30 20 BFED C[C@@H](C(=O)OCCCSCC#N)C1CCC1 838388446 NIHGQAZHBKXWDE-SNVBAGLBSA-N 241.356 2.613 30 20 BFED CON=Cc1ccc(C(=O)N(C)C(C)(C)C)cc1 844093458 QSMFYXBVLDQKKW-UHFFFAOYSA-N 248.326 2.537 30 20 BFED COCC(CC(C)(C)C)=NOCCSC 844593987 LRHYSLRIUNVZJK-UHFFFAOYSA-N 233.377 2.805 30 20 BFED C=C(C)COC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 845226838 VFNSBMYJLQORJA-GRYCIOLGSA-N 206.285 2.708 30 20 BFED C=C(C)CONC(=O)[C@H](C)C(CC)CC 846536429 KYOZQAXPOLTTNX-SNVBAGLBSA-N 213.321 2.683 30 20 BFED CC[C@@H](C#N)N(C)C(=O)/C=C/c1cccs1 847175649 YUNXTBUGAIYXTR-FGEFZZPRSA-N 234.324 2.522 30 20 BFED C=CCCCC(=O)OC[C@H](C)N1CCCCC1 847960507 OXAARXRMTLZDKH-ZDUSSCGKSA-N 239.359 2.760 30 20 BFED CCc1cccc(C=NO[C@H]2CCCCO2)c1O 848407453 PSJVWRPLENOVCQ-ZDUSSCGKSA-N 249.310 2.832 30 20 BFED Cc1ccc(NC(=O)C#CC(C)C)cc1C 854125830 WVCKGPNJEMJQIY-UHFFFAOYSA-N 215.296 2.901 30 20 BFED C/C(=C/C(=O)NCC(C)(C)C#N)c1cccs1 857176486 ZYTOJEAMZQPDAW-YFHOEESVSA-N 248.351 2.817 30 20 BFED C#CCCOC(=O)N[C@H]1CSc2ccccc21 858993796 WVUYXLRJWFYXTO-NSHDSACASA-N 247.319 2.583 30 20 BFED C#CC[C@@H](CCOC)NC1CCC(CC)CC1 862547593 KIHJHKYGQVDTFH-SLTAFYQDSA-N 237.387 2.973 30 20 BFED C[C@H](C#N)OC(=O)/C=C/CCc1ccccc1 870032446 GSHDHBHFBFAMAB-GCZGVDRJSA-N 229.279 2.631 30 20 BFED CCc1ccc(F)cc1C(=O)OC[C@@H](C)C#N 870248879 ZITXXCHGTGMDEV-VIFPVBQESA-N 235.258 2.705 30 20 BFED C=C[C@H](CC)OC(=O)C1(C)CC(F)(F)C1 873515333 DVOZAMNYYUHHCW-MRVPVSSYSA-N 218.243 2.930 30 20 BFED C=CCN(CC=C)C(=O)C1(C)CC(F)(F)C1 873733297 RBTSHLXVWZXRNG-UHFFFAOYSA-N 229.270 2.622 30 20 BFED C[C@@H](CCC#N)CNC(C)(C)C1CCOCC1 877483547 WYAKNTKOKKZQHL-LBPRGKRZSA-N 238.375 2.721 30 20 BFED CCCCCCCC(=O)N(C)c1ccon1 892445367 YTHWWIFXKPQOGU-UHFFFAOYSA-N 224.304 2.998 30 20 BFED C[C@@]1(C#N)CCCN(Cc2ccc(O)c(F)c2)C1 893526835 LWILYIOAXUVTGT-AWEZNQCLSA-N 248.301 2.657 30 20 BFED CCC#CCOC(=O)[C@@H]1Cc2ccccc2S1 893833360 OMGFDAAZWVQTCB-ZDUSSCGKSA-N 246.331 2.660 30 20 BFED C#C[C@H](CC)NC/C=C/c1cccc(F)c1 894737796 ISHYRPMMKWOZEX-IZPAUZPXSA-N 217.287 2.840 30 20 BFED CC[C@H](NCC1(C)COC1)c1cccc(C#N)c1 902802989 SPXDLWBTQJRFNS-AWEZNQCLSA-N 244.338 2.635 30 20 BFED C=CCCCCNC(=O)N(O)CCCC 904183023 UMYMFTUURDLUJU-UHFFFAOYSA-N 214.309 2.544 30 20 BFED C=CCCCCCCNC(=O)[C@@H](C)[C@H](O)CC 908186483 WHZSIIDUTQPVBY-QWHCGFSZSA-N 241.375 2.646 30 20 BFED CC(C)CNN=Cc1cccc(Cl)c1 916366845 ZBRUUOWQZWYEDK-UHFFFAOYSA-N 210.708 2.920 30 20 BFED CCc1ccc(CCC(=O)O[C@@H](C)C#N)cc1 917246373 YKCOGGDJBATZKH-NSHDSACASA-N 231.295 2.637 30 20 BFED C=CCCCN[C@@H](C)c1cc(OC)ccn1 926323493 IKZFDPVMCSNDPQ-NSHDSACASA-N 220.316 2.707 30 20 BFED N#C[C@@H]1CC[C@H](NC2CC3(CCCC3)C2)C1 926615543 PCVNCTCETKREPO-NEPJUHHUSA-N 218.344 2.991 30 20 BFED CC[C@@H](C#N)NC(=O)[C@H](C)c1ccccc1C 931331837 WOGDJLUVIMEHGH-NEPJUHHUSA-N 230.311 2.517 30 20 BFED CC[C@H](C)N(CC)C(=O)Nc1ccc(C#N)cn1 932109920 JIDHUDJYOHHDPO-JTQLQIEISA-N 246.314 2.606 30 20 BFED N#C[C@H]1CCCN(Cc2ncc(Cl)s2)C1 932147493 DWUMUZOFSAZQRQ-MRVPVSSYSA-N 241.747 2.532 30 20 BFED C=C[C@H](CC)CC(=O)Nc1ccc2nccn2c1 932615498 QRCCDCOJJRPFII-LLVKDONJSA-N 243.310 2.875 30 20 BFED C#Cc1ccc(NC(=O)N(C)CCC)cc1 934934510 YFVPPJSMICUFEB-UHFFFAOYSA-N 216.284 2.542 30 20 BFED C=C[C@@H](CC)CC(=O)N[C@@H](C)c1ccc[nH]1 935129164 KTBTXGLEENMSFC-QWRGUYRKSA-N 220.316 2.794 30 20 BFED CC(C)(C)ON=Cc1nn[nH]c1-c1ccccc1 1116404614 LOLACUIBIYBQEN-UHFFFAOYSA-N 244.298 2.621 30 20 BFED C#C[C@H](C)Nc1nc2cccc(C)c2o1 1117799117 PIYHDOHYKCPQBO-VIFPVBQESA-N 200.241 2.570 30 20 BFED C=CCC1(C(=O)NC(C)(C)CF)CCCC1 1119288494 MBNOVAXBUYNABA-UHFFFAOYSA-N 227.323 2.987 30 20 BFED CC[C@@H](CC#N)OC(=O)c1cccc(C#N)c1C 1122863334 IXWXHIPRUMOEBG-LBPRGKRZSA-N 242.278 2.716 30 20 BFED C=C[C@@H](C(=O)N1CCC[C@@H](F)C1)c1ccccc1 1263858200 ZILKOYVNUCRSPT-ZIAGYGMSSA-N 247.313 2.917 30 20 BFED C=C[C@@H](C)NC(=O)CSCc1cccs1 1319572981 MDUWHYWNGNFBPK-SECBINFHSA-N 241.381 2.672 30 20 BFED C[C@@H]1CC(=NNc2ccn(C)n2)C[C@@H](C)C1 1320686646 JCAOUXMRAUAHPP-UWVGGRQHSA-N 220.320 2.644 30 20 BFED C=CCOCCCc1nnc(CC(C)(C)C)o1 1322268845 WVXOTERHZBKOLL-UHFFFAOYSA-N 238.331 2.793 30 20 BFED C#CCOCCN(CCc1ccccc1)C(C)C 1333582435 LWJJUXLMBLOLEM-UHFFFAOYSA-N 245.366 2.589 30 20 BFED C#Cc1ccc(NC[C@@]2(C)CCCS2)nc1 1336545256 VSBHLSNHFCTPCK-CYBMUJFWSA-N 232.352 2.761 30 20 BFED C=C(C)CCC(=O)Nc1cc(C(F)(F)F)no1 1337480917 RRFQSRLECVMJKW-UHFFFAOYSA-N 248.204 2.988 30 20 BFED Cc1ccc(C#N)cc1C(=O)OCC(F)(F)F 1341966858 VLAMDQXHGDKOFD-UHFFFAOYSA-N 243.184 2.586 30 20 BFED C=CCC[C@H]1CCCN1c1nnc(C)n1CC 1343023689 ZXXNRMRJEUHSPF-LBPRGKRZSA-N 234.347 2.541 30 20 BFED C=C[C@H](OC(=O)/C=C/c1cn(C)cn1)C(C)(C)C 1343473201 MOZHHDWHNXIDQQ-GUOLPTJISA-N 248.326 2.577 30 20 BFED N#CC[C@H](OC(=O)C1CCCC1)c1ccco1 1345982846 XNDQKBUGBKUBJI-LBPRGKRZSA-N 233.267 2.968 30 20 BFED C=C(CC)C(=O)NCCCN(CCC)CCC 1346404856 QDLPDEQTGNSKCP-UHFFFAOYSA-N 240.391 2.581 30 20 BFED C=CCCC(C)(C)CNC[C@@]1(C)CCNC1 1574900323 URSLBKAZXDTCNQ-AWEZNQCLSA-N 224.392 2.568 30 20 BFED C=C(C)C[C@H](C)C(=O)O[C@@H](/C=C\CC)C(=O)O 1602747423 RAKRUULRCXSCGR-TWHAFNCTSA-N 240.299 2.551 30 20 BFED C=C(CC)CN1C[C@@H](C(=O)O)C2(CCCC2)C1 1776141378 ZXTHJUBKIUUPDC-LBPRGKRZSA-N 237.343 2.529 30 20 BFED CCN(Cc1ccc(C#N)cc1F)C(C)C 37082254 PEOHHTATHUQDNV-UHFFFAOYSA-N 220.291 2.928 30 20 BFED CC[C@H](C)CN(C)CCOc1cccc(C#N)c1 37173137 JJMOVJXXYOILHV-ZDUSSCGKSA-N 246.354 2.915 30 20 BFED CC[C@](C)(C#N)NC(=O)c1cc(C)ccc1C 40357880 DSCBKZHMULLENL-CQSZACIVSA-N 230.311 2.726 30 20 BFED C#Cc1cccc(NC(=O)c2scnc2C)c1 41639383 IVINNKGIOGLAGA-UHFFFAOYSA-N 242.303 2.685 30 20 BFED CCN(C[C@@H](C)C#N)c1ncnc2ccsc12 42450097 FAPKKXUTKSMOKW-VIFPVBQESA-N 246.339 2.677 30 20 BFED CN(CC1CCCCC1)C(=O)C(C)(C)C#N 44352948 PWNSTKWXHNHQFB-UHFFFAOYSA-N 222.332 2.575 30 20 BFED Cc1ccc(C(=O)N(CCC#N)CC(C)C)o1 48151452 LIDJTQWBBFNEMF-UHFFFAOYSA-N 234.299 2.600 30 20 BFED N#Cc1ccnc(N2CC[C@H](c3ccccc3)C2)c1 50600481 FIAXAMVBHQBXPF-HNNXBMFYSA-N 249.317 2.947 30 20 BFED C[C@@H](C#N)CNC[C@H](C)c1ccccc1 52396186 YDUVLTUVQAPLIF-RYUDHWBXSA-N 202.301 2.539 30 20 BFED CC[C@H](CC#N)NCc1c(F)cccc1F 54181942 WUUPQNMZBWOFLM-SECBINFHSA-N 224.254 2.747 30 20 BFED C=CCN1CCC[C@H]1Cc1ccccc1 55504889 YLGMSHXSNDTGGJ-AWEZNQCLSA-N 201.313 2.880 30 20 BFED C=CCCNc1ccc(C(=O)NC2CC2)cc1 77244962 HZODBSRAOZQJNU-UHFFFAOYSA-N 230.311 2.567 30 20 BFED CN(CCC#N)[C@H]1CCCc2ccccc21 78316221 QJIBEKKOHHETMU-AWEZNQCLSA-N 214.312 2.909 30 20 BFED N#CC1(C(=O)O)CC2(CCCCCC2)C1 83172632 ALBQJNGFBYBSMP-UHFFFAOYSA-N 207.273 2.715 30 20 BFED C=C(CC)CNCc1cccc(C#N)c1 85057606 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CC[C@H](C#N)C(=O)N(CC(C)C)C1CCCC1 94848194 XDMKFBGINYCONV-GFCCVEGCSA-N 236.359 2.963 30 20 BFED CC(C)CN(CCC#N)Cc1nccs1 94966445 YYKZOTQFULUMIE-UHFFFAOYSA-N 223.345 2.515 30 20 BFED C=CC[C@H](C)NC(=O)N(C)Cc1ccoc1C 116972083 BCXSBEWMCKBKMB-JTQLQIEISA-N 236.315 2.694 30 20 BFED C#CCCCCC(=O)Nc1cccnc1Cl 119539096 VAGXKJLHKPIKCQ-UHFFFAOYSA-N 236.702 2.867 30 20 BFED CC(C)N(Cc1cc(C#N)cs1)C1CC1 121352398 RSHFPZUWFYZYLG-UHFFFAOYSA-N 220.341 2.993 30 20 BFED Cc1cccc([C@@H](C)C(=O)N[C@H](C#N)C2CC2)c1 121833988 MQMQPEYCIMNOIT-BXUZGUMPSA-N 242.322 2.517 30 20 BFED CC[C@H](C#N)N[C@H](C)c1cc(F)ccc1OC 122207440 ZPTVWTOVNRZKEV-MWLCHTKSSA-N 236.290 2.787 30 20 BFED CC[C@@H](C)C[C@@H](C)NC(=O)C1(C#N)CC(C)C1 122385123 ZXYDWWGVTRZNBA-KTEZZQQRSA-N 236.359 2.867 30 20 BFED N#Cc1ccc(NC[C@@H]2CCCCS2)cn1 122471979 OICWFMJUXWDQSK-LBPRGKRZSA-N 233.340 2.651 30 20 BFED C=C(Cl)CNC(=O)c1ccc(Cl)s1 124626882 TWEXRFXOFPYWTA-UHFFFAOYSA-N 236.123 2.884 30 20 BFED C[C@@]1(CNCc2ccc(C#N)cc2)CCCS1 126515730 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BFED CCCCCCCCC(=O)N[C@@H]1CCOC1 179184639 QEVBEEVHDGHOSM-GFCCVEGCSA-N 227.348 2.642 30 20 BFED C#CCCCCC(=O)N(C)Cc1cccc(F)c1 179636963 TXMPKSZGSZJKNE-UHFFFAOYSA-N 247.313 2.978 30 20 BFED C=C(C)CN(C)C(=O)CCOCc1ccccc1 180428274 NHANVYSLUSXHID-UHFFFAOYSA-N 247.338 2.628 30 20 BFED CC[C@@H](NCCCC#N)c1nc(C)cs1 184376561 CUAPKKVWXIHJDT-SNVBAGLBSA-N 223.345 2.796 30 20 BFED C#CCCCNC(=O)N1CCCC[C@H]1CCC 186327779 IWHZTMVZFSEHAE-CYBMUJFWSA-N 236.359 2.764 30 20 BFED CCc1ccccc1CC(=O)N(C)[C@@H](C)CC#N 188545354 ZEHIYFFGIZXSTP-LBPRGKRZSA-N 244.338 2.552 30 20 BFED N#CCSCCCSC[C@H]1CCCO1 191751488 VZAQJXAGCOHDEO-SNVBAGLBSA-N 231.386 2.545 30 20 BFED C=CCN(CCOC)C(=O)CC1=CCCCC1 191974984 XFWZAQDASOHSDH-UHFFFAOYSA-N 237.343 2.538 30 20 BFED C=CCOc1ccccc1C(=O)OCC(=C)C 192666943 GAWXFIAVTWOAAA-UHFFFAOYSA-N 232.279 2.984 30 20 BFED C=CCCC(=O)NC[C@H](OCC)c1ccccc1 194177490 PJXVDECZFDFDDZ-AWEZNQCLSA-N 247.338 2.847 30 20 BFED CN(C(=O)[C@H]1CC1(C)C)c1ccc(C#N)cc1 228831435 AKFHAMBWWRMNFD-GFCCVEGCSA-N 228.295 2.567 30 20 BFED N#C[C@@H]1CCCN(C[C@@H]2CCC3(CCCC3)O2)C1 229316470 VKXVDZJCRYANPR-KBPBESRZSA-N 248.370 2.714 30 20 BFED CCC[C@@H]1C[C@H]1Nc1cccc(C#N)n1 231663925 ULBICRAQHLIDMJ-MWLCHTKSSA-N 201.273 2.554 30 20 BFED CC[C@@H](CC#N)NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 249732504 BQOSUUNIVHDREI-RVMXOQNASA-N 234.343 2.621 30 20 BFED CC(=NNC(=S)NCc1ccccc1)C(C)C 254590637 BOMUBHLCAMNYGD-UHFFFAOYSA-N 249.383 2.683 30 20 BFED C#CCOc1ccc(-c2nc(C3CC3)no2)cc1 266543800 HGINZZORHOMRSE-UHFFFAOYSA-N 240.262 2.626 30 20 BFED C[C@H]1[C@H](C)CCN1c1ccc(C#N)cc1F 267686973 QBUZNELHEWPVCF-ZJUUUORDSA-N 218.275 2.932 30 20 BFED C=CC[C@@H](C)NC(=O)/C=C1/CC[C@H](C)C1 267939501 HGFLOIQMCDNGEG-UEMLBJACSA-N 207.317 2.814 30 20 BFED C=CCN(Cc1ccccc1C#N)C1CC1 271495032 VCQHFLCZXCLJMO-UHFFFAOYSA-N 212.296 2.709 30 20 BFED C#CCCCN[C@@H](CC#C)c1ccccc1 271730598 SEHZWCWLDVDGFA-HNNXBMFYSA-N 211.308 2.754 30 20 BFED C[C@H]1C[C@@H]1c1ccc(CNCCCC#N)o1 273085636 RQRHSBIEFOEYLS-JQWIXIFHSA-N 218.300 2.796 30 20 BFED C[C@@H](CCC#N)N(C)Cc1cccc(N(C)C)c1 276276554 DZDWPAYZIIAFRD-ZDUSSCGKSA-N 245.370 2.877 30 20 BFED C#CCCCCC(=O)N[C@H](CC)CC=C 281090143 OZIODWJRCOPOIP-GFCCVEGCSA-N 207.317 2.651 30 20 BFED COCC1(CNc2ccc(C#N)cc2F)CCC1 281956075 QJHKGWWOTYRUID-UHFFFAOYSA-N 248.301 2.926 30 20 BFED CC[C@H](CC#N)NC(=O)c1occc1C(C)C 284539193 CXPSJGWXIFDMTJ-SNVBAGLBSA-N 234.299 2.825 30 20 BFED C=C(C)CCc1noc(-c2cc(C)on2)n1 285004075 DJISNECZFXEWLF-UHFFFAOYSA-N 219.244 2.542 30 20 BFED C=CCCN[C@@H](C)c1c(F)cncc1F 285469296 BBVNGVZMLJEKEK-QMMMGPOBSA-N 212.243 2.587 30 20 BFED C=CCCCN1CCCC[C@@H]1c1nc(C)no1 285837220 XENZTIYQIPVZSS-GFCCVEGCSA-N 235.331 2.871 30 20 BFED COc1ccc([C@H](C)NCCCCC#N)cc1O 289653563 IIKYMRVHAMXNCU-NSHDSACASA-N 248.326 2.745 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccc(C(C)C)cn1 290632262 YRWVHGVNPYABBN-LLVKDONJSA-N 232.327 2.899 30 20 BFED CC1(C)CN(c2ccc(C#N)cn2)[C@H]2CCC[C@H]21 293927605 FECXTSJBBTVGQW-OLZOCXBDSA-N 241.338 2.968 30 20 BFED C[C@@H]1C[C@H](Nc2cccc(OCC#N)c2)[C@@H](C)O1 295505188 ULGOFRFWGCQBTB-GYSYKLTISA-N 246.310 2.567 30 20 BFED CCCN(CC#N)Cc1ccc(C(C)=O)cc1 297671801 ZUHDFXCHTFMCND-UHFFFAOYSA-N 230.311 2.625 30 20 BFED CCN(CC#N)[C@@H]1CCc2ccc(F)cc21 298126503 NERUYMRHCLBTCL-CYBMUJFWSA-N 218.275 2.658 30 20 BFED N#Cc1ccc(NCCCOC2CCCC2)cn1 301500085 FPFAZDCGGFCYRZ-UHFFFAOYSA-N 245.326 2.714 30 20 BFED CC(=O)c1ccc(OCCO[C@H](C)C#N)c(C)c1 302408245 PDKFEQHXWAKARQ-LLVKDONJSA-N 247.294 2.505 30 20 BFED C=C(C)CN/C(N)=N/Cc1c(C)cc(C)cc1C 303898522 RABDNWIFRUABTN-UHFFFAOYSA-N 245.370 2.592 30 20 BFED N#Cc1cncnc1Sc1ccc(F)cc1 304469930 HIIRDIUJVBINCP-UHFFFAOYSA-N 231.255 2.639 30 20 BFED CNc1nnc(SCCC(C)(C)C#N)s1 309216802 UMOGEZFLFGPMDT-UHFFFAOYSA-N 242.373 2.612 30 20 BFED N#Cc1ccnc(N[C@@H]2CCC(F)(F)C2)c1 309595572 IFZDEGAGYYIIQV-SECBINFHSA-N 223.226 2.553 30 20 BFED Cc1nnccc1N=C(O)[C@@H]1CC=CCC1 329541853 NMQLLCAOQLVPAP-SNVBAGLBSA-N 217.272 2.729 30 20 BFED CCCC[C@@H](CC)C(=O)NC1(C#N)CCC1 332078370 YAZFDODVYKAYGU-LLVKDONJSA-N 222.332 2.765 30 20 BFED C[C@@H](C(=O)N1CCC(C)(C#N)CC1)C1CCC1 334704234 VIDWEXSNPXYVJD-LLVKDONJSA-N 234.343 2.575 30 20 BFED CN(C(=O)c1ccc(CC#N)cc1)C(C)(C)C 335434342 ISUTURYEXMIALF-UHFFFAOYSA-N 230.311 2.623 30 20 BFED Cc1cc(N2CCS[C@H](C)CC2)c(C#N)cn1 335514662 WMIUDHWLRXHXEB-LLVKDONJSA-N 247.367 2.594 30 20 BFED CCc1cc(OC)ccc1CN(CC#N)C1CC1 337529127 CANGPLJPYFQMKV-UHFFFAOYSA-N 244.338 2.746 30 20 BFED Cc1ccnc(COc2cc(C#N)ccc2C)n1 339301405 BNQHZJFJIQBFRJ-UHFFFAOYSA-N 239.278 2.544 30 20 BFED C=CCc1ccc(OCC2(O)CCC2)c(OC)c1 339335288 IYJXEERCSTZDBM-UHFFFAOYSA-N 248.322 2.718 30 20 BFED CCOC1(CN[C@@H]2CC[C@@H](C#N)C2)CCCC1 340461101 DPFAQTNKBVLVAE-CHWSQXEVSA-N 236.359 2.618 30 20 BFED C=CCN(C(=O)[C@H]1CC=CC[C@H]1C)C1CC1 341512728 NDUBHAIVZFITCZ-YPMHNXCESA-N 219.328 2.766 30 20 BFED C[C@@H]1CC[C@H](C(=O)Nc2ccc(C#N)cc2)C1 345190461 HDHYUWKFIMXUMJ-PWSUYJOCSA-N 228.295 2.933 30 20 BFED C=CCCCCNC(=O)[C@@H]1CCC[C@H](OC)C1 347023533 RHSXMUAAJHGUAG-OLZOCXBDSA-N 239.359 2.664 30 20 BFED 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C=CCC1(C(=O)N2CC[C@H](CF)C2)CCCC1 881678323 XRNJYDTYALAPNK-GFCCVEGCSA-N 239.334 2.941 30 20 BFED C#C[C@@H](NCc1c(C)noc1CC)C(C)(C)C 894517999 ULAMHBODFHWIIS-CYBMUJFWSA-N 234.343 2.683 30 20 BFED C#C[C@@H](CC)NC/C=C/c1cccc(F)c1 894737797 ISHYRPMMKWOZEX-OWNNVSBGSA-N 217.287 2.840 30 20 BFED C=C[C@@](C)(CC)c1nc(-c2ocnc2C)no1 896320516 HOJYUSFATJLTLP-LBPRGKRZSA-N 233.271 2.887 30 20 BFED CO[C@@H](C)Sc1ccc(C#N)cc1F 901493882 NBORQTVAPBWIHA-SSDOTTSWSA-N 211.261 2.782 30 20 BFED C=C(C)CNCc1cc(C)ccc1NC 902539625 ZEMSIBHYXIFQMX-UHFFFAOYSA-N 204.317 2.702 30 20 BFED C=C(C)CCN[C@H](C(=O)O)c1ccccc1F 905376732 QEEGHYAFTQXHIZ-LBPRGKRZSA-N 237.274 2.507 30 20 BFED C#CCN(Cc1cc(OC)c(C)cc1O)C(C)C 905747659 AHMZGUHULJJAQO-UHFFFAOYSA-N 247.338 2.553 30 20 BFED C=C[C@@H](CC)CC(=O)OCC(=O)CCC 909524568 IVJDMUQJSQILGQ-JTQLQIEISA-N 212.289 2.501 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)NC[C@H]1C[C@H]1C 912088961 DGEGKFGYMDXHMO-JHJVBQTASA-N 236.359 2.783 30 20 BFED CON=Cc1ccc2c(c1)CCC(C)(C)O2 920372252 XYGKNAMMKGUJHM-UHFFFAOYSA-N 219.284 2.771 30 20 BFED C=CCNCc1ccccc1N1CCCCC1 920955012 MMIJPIBHQXPSJY-UHFFFAOYSA-N 230.355 2.953 30 20 BFED CC[C@H](C)C[C@H](CO)N[C@@H](C)CC(C)(C)C#N 926636321 VPUPVEVTFRCZLW-RWMBFGLXSA-N 240.391 2.701 30 20 BFED C=C[C@@H](CC)CC(=O)NCCc1cccc(C)n1 935734097 HYTATZRPEJYBCZ-ZDUSSCGKSA-N 246.354 2.651 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)c1ccc(F)nc1 1120813514 FYIUCDYWLNOSQV-GFCCVEGCSA-N 248.301 2.792 30 20 BFED CC[C@@H](C#N)N(CC)C(=O)c1sccc1C 1121160107 CLWWINPKOYPHOB-JTQLQIEISA-N 236.340 2.821 30 20 BFED COCCC(=NOC(C)(C)C)C1CCOCC1 1254919836 OIKVVLYOMRTGBH-UHFFFAOYSA-N 243.347 2.621 30 20 BFED C=CC(C)(C)CC(=O)O[C@@H]1CCOC[C@@H]1C 1263481924 VTPHMUVTRAAFCL-WDEREUQCSA-N 226.316 2.557 30 20 BFED C=C(CC)C(=O)N1CC[C@@H](Oc2ccccc2)C1 1263864915 RIWROCTYQYNHMN-CQSZACIVSA-N 245.322 2.633 30 20 BFED N#CCc1cccc(N2CCCCCC2)n1 1319738971 CRMWJCQZRYNLPT-UHFFFAOYSA-N 215.300 2.528 30 20 BFED CC(C)NC(=S)NN=C[C@H]1CCC[C@H](C)C1 1320480772 UGEFOFSGXCOHNW-QWRGUYRKSA-N 241.404 2.671 30 20 BFED C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](SC)C1 1326483187 SKCQPAMRYPNRFF-ZJUUUORDSA-N 227.373 2.599 30 20 BFED Cc1ccc(NC(=N)NCC(C)(C)CC#N)cc1 1327772649 MNUCVIIZKTUUCT-UHFFFAOYSA-N 244.342 2.871 30 20 BFED C#CCSCC(=O)N[C@@H](C)CCC=C(C)C 1332469158 IKOOIPZPONIBTH-LBPRGKRZSA-N 239.384 2.604 30 20 BFED C=C(C)CN(CC)C(=O)c1cn(CCC)nc1C 1336253748 CGNNXXWRMGPNRV-UHFFFAOYSA-N 249.358 2.640 30 20 BFED C[C@H]1CCCCN1C(=O)c1ccc(C#N)cc1F 1336762244 AWADSJCPWOOVKV-JTQLQIEISA-N 246.285 2.712 30 20 BFED CC(C)c1nc(C=NOCC(F)F)cs1 1337831732 YHGMPAWQZRGPHA-UHFFFAOYSA-N 234.271 2.882 30 20 BFED C=C(C)C(C)(C)C(=O)Nc1nc(C)ccc1OC 1339113523 AUYNZDNVRDDPIK-UHFFFAOYSA-N 248.326 2.939 30 20 BFED CCO[C@H]1CC(=NOC(C)(C)C)[C@H]1SC 1342844493 VGPSOUOMXXDNOX-VHSXEESVSA-N 231.361 2.698 30 20 BFED C=CC(C)(C)CNC(=O)CCCC1CC1 1344415389 UAVSULLIUJWBSE-UHFFFAOYSA-N 209.333 2.895 30 20 BFED CCO[C@@H]1CCCC[C@@H]1OC(=O)CCCC#N 1346061796 UEVZATPTESEFFR-NEPJUHHUSA-N 239.315 2.571 30 20 BFED CCc1cccc(C=NNCC2CCOCC2)c1 1349509493 BJGKVDNSPWBFIR-UHFFFAOYSA-N 246.354 2.599 30 20 BFED C=C[C@@H](C(=O)N[C@H]1CC12CC2)c1ccccc1 1349952199 WSLODRNDWYMZBK-OLZOCXBDSA-N 227.307 2.625 30 20 BFED CCCCCNC(=O)c1ccc(C#N)cc1F 1353255929 XMUCPQYUTYIRNM-UHFFFAOYSA-N 234.274 2.617 30 20 BFED C#CC[C@H](Cc1ccccc1)OC(=O)[C@@H]1C[C@@H]1F 1518629679 KUTCIDISWOWAIO-MCIONIFRSA-N 246.281 2.522 30 20 BFED Cc1c(C#N)cccc1NC(=O)c1ccsn1 1533220129 AXLGTTSEMGBCHS-UHFFFAOYSA-N 243.291 2.576 30 20 BFED C=CC[C@@H](C)N[C@@H](C(=O)O)c1ccccc1C 1609290759 WNWBXMIWZSYWRX-DGCLKSJQSA-N 233.311 2.675 30 20 BFED N#Cc1c(F)cccc1SCc1ccno1 1613821973 WSJFAIZFJAYKQE-UHFFFAOYSA-N 234.255 2.978 30 20 BFED CC1(C)CCN1C(=O)[C@@H](CC#N)c1ccccc1 1628457956 WABAZIUGOFOINU-ZDUSSCGKSA-N 242.322 2.695 30 20 BFED C=CCCCCN1CCC(F)(F)C[C@@H]1C(=O)O 1776207809 QVDZGTSQMBRXQC-SNVBAGLBSA-N 247.285 2.527 30 20 BFED N#CCCCCSc1ncccc1C(=O)O 37414509 GSAKWMVLEOVVGW-UHFFFAOYSA-N 236.296 2.566 30 20 BFED C[C@@H]1CN(Cc2ccccc2C#N)CC(C)(C)O1 44477775 LVHKYQMBVOWUPB-GFCCVEGCSA-N 244.338 2.558 30 20 BFED N#CCCCNC(=O)c1c(F)cccc1Cl 54137842 IDJPLDPPACVUGU-UHFFFAOYSA-N 240.665 2.513 30 20 BFED Cc1cc([C@@H](C)Nc2nccnc2C#N)c(C)o1 54378199 SBZVZVWCIBWVAY-SECBINFHSA-N 242.282 2.731 30 20 BFED C=CCNC(=O)c1sccc1C1CC1 60476734 TWHXWUKQUXOVCV-UHFFFAOYSA-N 207.298 2.541 30 20 BFED CN(Cc1cccc(C#N)c1)c1ncccc1F 61948215 PXZLWWVNQRCERQ-UHFFFAOYSA-N 241.269 2.729 30 20 BFED C=CCOC(=O)c1cccn1Cc1cccs1 62584693 CSYMSUMTCFMPAT-UHFFFAOYSA-N 247.319 2.941 30 20 BFED Cc1nc(COc2ccc(C#N)c(F)c2)oc1C 66750515 GWQOFUIJPVUDSW-UHFFFAOYSA-N 246.241 2.881 30 20 BFED C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](C)CC 68006446 DLNZRHABUKWFEE-GFCCVEGCSA-N 247.313 2.834 30 20 BFED C=C(C)CNc1cc(C(=O)OC)ccc1C 70824538 AKQOBUHBJWXWFH-UHFFFAOYSA-N 219.284 2.770 30 20 BFED Cc1ccc(CN(C)C(=O)C(C)(C)C#N)s1 76174621 JYTRUPGFPFAODA-UHFFFAOYSA-N 236.340 2.565 30 20 BFED Cc1nccn1Cc1ccc(C#N)cc1Cl 79379055 QNKMFLSCLWADJU-UHFFFAOYSA-N 231.686 2.765 30 20 BFED N#C[C@]1(Cc2ccccc2)CCCCC1=O 83776594 LKWLBDZDUDCALL-CQSZACIVSA-N 213.280 2.882 30 20 BFED CCc1ncc(CN(CC)C[C@@H](C)C#N)s1 91982340 ZKESTBQMQXSSKZ-JTQLQIEISA-N 237.372 2.687 30 20 BFED Cc1cc(F)ccc1C(=O)/C=C\c1cnn(C)c1 96404927 MVJAFRAZUVGEQE-UTCJRWHESA-N 244.269 2.764 30 20 BFED C=CCN(C(=O)CCCOC)c1ccccc1 97366927 KSYJQSWNYLFFEL-UHFFFAOYSA-N 233.311 2.632 30 20 BFED C[C@H]1C[C@@H]1CN(C)Cc1cccc(C#N)c1 111732648 ZMZJFPKWMUNMAP-SMDDNHRTSA-N 214.312 2.646 30 20 BFED CC#CCN(C)Cc1ccc(F)cc1Cl 119414937 ZRFVCNOZGXHFAT-UHFFFAOYSA-N 225.694 2.934 30 20 BFED C[C@H](N[C@H]1CCSC1)c1cccc(C#N)c1 122147073 RNEZKDQRQPHBAO-GWCFXTLKSA-N 232.352 2.714 30 20 BFED C=CCCO[C@@H](C)C(=O)N(C)c1ccccc1 125137822 HDMVLGZHRKLPRR-LBPRGKRZSA-N 233.311 2.631 30 20 BFED CC[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 125344776 PXKHJDVLCHYNJZ-NSHDSACASA-N 232.302 2.929 30 20 BFED CCOc1cccc(CN(CC)CCC#N)c1 127582233 MDRSQOSRAZBYKG-UHFFFAOYSA-N 232.327 2.821 30 20 BFED C=C[C@H](C)NC(=O)NC[C@H]1CCC[C@H](C)C1 128262840 JCJJMNBHOCZFSW-SRVKXCTJSA-N 224.348 2.686 30 20 BFED CC[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2)C1 128572900 ZEOUQKUQCXHUCP-LLVKDONJSA-N 243.310 2.822 30 20 BFED CC(C)CCN/C(N)=N/CC1(C2CC2)CCC1 130671039 NWEZBYHTEZAXHY-UHFFFAOYSA-N 237.391 2.517 30 20 BFED C#CCCCCN[C@H](C)c1cncs1 130756955 XEPPFFRPZYWIDO-SNVBAGLBSA-N 208.330 2.597 30 20 BFED C=CCCCC[C@@H](C)NC1CCN(C)CC1 132003494 HLEUIXZPVIIWRY-CYBMUJFWSA-N 224.392 2.805 30 20 BFED CSCCN[C@@H](C)c1ccc(C#N)c(F)c1 134000806 GRZNZSXWCLRYPG-VIFPVBQESA-N 238.331 2.711 30 20 BFED C#C[C@H](C)N[C@@H](C)CCc1ccccc1 135168557 GCHRZYRYBLGCCX-STQMWFEESA-N 201.313 2.619 30 20 BFED CC[C@@H]1CCN(Cc2cc(C#N)ccc2OC)C1 135398088 HHAYJYJGUCBSIZ-GFCCVEGCSA-N 244.338 2.799 30 20 BFED CC[C@H](O)CCNc1cc(Cl)ccc1C#N 135508537 VSPCOCHQTXANQP-NSHDSACASA-N 238.718 2.785 30 20 BFED C=C(C)CNCc1cnc2ccccc2c1 142138605 OZOFYJTWXQVYGJ-UHFFFAOYSA-N 212.296 2.901 30 20 BFED CCC(=O)N(CC)c1ccc(C#N)c(Cl)c1 156583851 GUVUYQXQWXMLLC-UHFFFAOYSA-N 236.702 2.975 30 20 BFED CC(C)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 158715172 YFWZQRLKYOULFO-LBPRGKRZSA-N 232.327 2.818 30 20 BFED C=C(C)CN(CC)Cc1c(CC)nn(C)c1CC 159015566 JHQGJLZYQKUDDJ-UHFFFAOYSA-N 249.402 2.943 30 20 BFED C#CCOc1ccccc1CN[C@H](C)C1CCC1 163299222 CIBDUDZPZATCBA-CYBMUJFWSA-N 243.350 2.977 30 20 BFED C#C[C@@H](C)NC(=O)c1cc2ccc(F)cc2s1 163421067 SPDHKYSHFGFOKZ-MRVPVSSYSA-N 247.294 2.792 30 20 BFED Cc1ccnc(NCc2ccccc2O)c1C#N 168010710 XFRDHWRPRWHZET-UHFFFAOYSA-N 239.278 2.579 30 20 BFED C=CCCNc1nc2ccccc2n1C 168878605 UFADBHSHLSGVOP-UHFFFAOYSA-N 201.273 2.561 30 20 BFED CC#CCSc1nnc(-c2ccco2)n1CC 172896434 ATXJKKSKOAUFTK-UHFFFAOYSA-N 247.323 2.673 30 20 BFED CC(C)CCN(CCC#N)CCCC#N 173538511 XQFOSKCQKJKGDJ-UHFFFAOYSA-N 207.321 2.552 30 20 BFED CCCCCCCC(=O)NC[C@](C)(O)C(C)C 174443636 COCIQXXVMQIGLZ-AWEZNQCLSA-N 243.391 2.870 30 20 BFED CC[C@@H](C#N)OC(=O)[C@H](C)c1cccc(OC)c1 176000133 FSCCZJDGXBMJDA-PWSUYJOCSA-N 247.294 2.644 30 20 BFED C=CCSCCNC(=O)C[C@@H]1CC[C@@H](C)C1 177689274 CBRIXDVUJPALNE-VXGBXAGGSA-N 241.400 2.848 30 20 BFED C=CCC[C@@H](CC)N[C@@H]1C[C@H]2CC[C@@H]1O2 178318050 BXXGTXKNDSNREP-LPWJVIDDSA-N 209.333 2.641 30 20 BFED CC#CCCCC(=O)N(C)OCc1ccccc1 184783836 AJMSUYDPICYCGD-UHFFFAOYSA-N 245.322 2.770 30 20 BFED CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(C#N)cc1 185395499 VODXUQUZIAYECC-FZMZJTMJSA-N 242.322 2.819 30 20 BFED C=C(C)C[C@@H](C)C(=O)N(C)[C@@H](C)c1cnn(C)c1 186013265 YYQKJBPHWUMYHJ-NEPJUHHUSA-N 249.358 2.542 30 20 BFED C=CCN1CCO[C@@H](CCc2ccccc2)C1 186073726 INYCMLJFWVGMQB-HNNXBMFYSA-N 231.339 2.506 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@@H]1C[C@H]2OCCC[C@H]12 187286165 PEWQAOLEYGHQKK-ODXJTPSBSA-N 223.360 2.744 30 20 BFED CSCc1nnc(S[C@H](C)CCC#N)o1 188283657 AKSXYDASAPAWHW-SSDOTTSWSA-N 243.357 2.717 30 20 BFED Cn1cc(CN[C@H]2CCCC2(C)C)cc1C#N 189595949 MPKLNIINIBRWLK-ZDUSSCGKSA-N 231.343 2.565 30 20 BFED C=CCC[C@H](C)NCCc1csc(C)n1 230658498 IULTWYFPIHENMU-JTQLQIEISA-N 224.373 2.938 30 20 BFED C/C=C(/C)C(=O)[C@@H](C#N)c1nc2ccccc2o1 255586633 XTILYTFYIASOMQ-KSXVILFYSA-N 240.262 2.970 30 20 BFED C[C@@H](/N=C\c1ccccc1O)C(=O)OC(C)(C)C 255729461 DFJSXZRTZAEEEQ-XBDQXEDDSA-N 249.310 2.541 30 20 BFED Cc1cccc(-c2cc(C#N)nc(C)n2)c1 259466099 XGJPZKMPJHEAHP-UHFFFAOYSA-N 209.252 2.632 30 20 BFED N#CC[C@@H]1CCCN(Cc2cccc(F)c2)C1 260310910 ZQDSBXLAMYBPGR-LBPRGKRZSA-N 232.302 2.951 30 20 BFED C/N=C(/NC)N1CCCC2(CCCCCC2)C1 261812749 SSUHUQPSVXYEEU-UHFFFAOYSA-N 237.391 2.628 30 20 BFED CN(CC(C)(C)C)C(=O)c1cc(C#N)cs1 267843443 VDMPOYHQEZHWMS-UHFFFAOYSA-N 236.340 2.738 30 20 BFED N#CCc1ccc(C(=O)N[C@@H]2CC=CCC2)cc1 270332769 NVDVOXSMPZIDAC-CQSZACIVSA-N 240.306 2.591 30 20 BFED N#Cc1cccc(C2(NC/C=C/Cl)CC2)c1 271766395 IWJLKQFWEUFKDH-FARCUNLSSA-N 232.714 2.889 30 20 BFED C=C1CCN(C(=O)[C@H](C)c2ccccc2)CC1 273217595 RAOQEWPOUTXYJI-CYBMUJFWSA-N 229.323 2.969 30 20 BFED CCCN(CCC#N)CCc1cccs1 274313270 MXHGIJGSSAPIAU-UHFFFAOYSA-N 222.357 2.916 30 20 BFED C=CCCCN1CCOCc2ccccc21 280315391 GJTOXNONMJLRPQ-UHFFFAOYSA-N 217.312 2.989 30 20 BFED C=CC[C@H](CC)NC(=O)N(CC=C)CC=C 281409909 QDCUWMPBLXZHFP-LBPRGKRZSA-N 222.332 2.725 30 20 BFED C=CC[C@H](CC)Nc1ncccc1C#N 281730905 WDPAJFKYZBXCIR-NSHDSACASA-N 201.273 2.720 30 20 BFED C=CCn1c(C2CC2)nnc1N1CCC(C)(C)C1 282399491 WNKNLTGKRNHHPE-UHFFFAOYSA-N 246.358 2.578 30 20 BFED C=C(C)CN(CC)C(=O)C(C)(C)CSC 282590588 PUQIIANOUKKTLU-UHFFFAOYSA-N 229.389 2.800 30 20 BFED CC#CC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 286409950 QDVKALVQFARSIJ-OCCSQVGLSA-N 227.307 2.619 30 20 BFED CC(C)(C)NC(=O)Nc1ccc(C#N)c(F)c1 289747434 KYRSJUQAWDEATE-UHFFFAOYSA-N 235.262 2.617 30 20 BFED N#CCCCNc1c(Cl)cccc1[N+](=O)[O-] 292912006 CMDCYYFPTHTGHZ-UHFFFAOYSA-N 239.662 2.964 30 20 BFED CC(C)[C@H]1CN(c2ccc(C#N)cc2)CCCO1 294072087 NIMCRRUCDUOXEM-OAHLLOKOSA-N 244.338 2.810 30 20 BFED C=CCCN(C)Cc1cccc(C(C)=O)c1 296071994 RYNHKDAEYVLJEO-UHFFFAOYSA-N 217.312 2.897 30 20 BFED C[C@@H](CCC#N)N1CCc2ccc(F)cc2C1 298041252 CWDQRHYKIGYITE-NSHDSACASA-N 232.302 2.876 30 20 BFED C=C[C@@H](N[C@H](CCC)CCCC)C(=O)OC 301019281 JHNASJZLPVWQCP-VXGBXAGGSA-N 227.348 2.663 30 20 BFED C[C@]1(CO)CCC[C@H]1Nc1ccc(C#N)cc1F 301374799 VEXNKAKSQMTYSQ-ZIAGYGMSSA-N 248.301 2.660 30 20 BFED CC(C)CCN/C(N)=N/C[C@H]1CCC[C@H](C)C1 303882302 LHHYWSKUOVYZCK-STQMWFEESA-N 239.407 2.763 30 20 BFED N#CCCNc1ccc(Cl)cc1C#N 307689036 MRZAXSXDTHQILK-UHFFFAOYSA-N 205.648 2.537 30 20 BFED CCc1nc(C#N)cc(N[C@H](C)[C@H](C)CC)n1 308169570 OQGQIUSJQHOTRB-NXEZZACHSA-N 232.331 2.757 30 20 BFED CO[C@H]1C[C@@H](Nc2ccc(C#N)cc2)C12CCC2 308383627 YQUQNMJKEIKMHR-KGLIPLIRSA-N 242.322 2.928 30 20 BFED C=C[C@@H](C)N[C@H](C)c1ccc(Cl)cn1 308641665 FAFWDHCXLXVZFV-RKDXNWHRSA-N 210.708 2.960 30 20 BFED C=CCCCCN[C@H](C)[C@@H]1CCCOC1 309160235 YQXSQQDPOGMJOY-CHWSQXEVSA-N 211.349 2.747 30 20 BFED C[C@@H](CC#N)N[C@H]1CCc2c(F)cccc21 309495658 TXCNHEITSRRHSL-ZANVPECISA-N 218.275 2.705 30 20 BFED C=CCCCCNC[C@@H](O)c1ccc(F)cc1 310255652 FJXDLLXYEHJCNY-CQSZACIVSA-N 237.318 2.805 30 20 BFED C=CCC[C@H](CO)N[C@@H](C)c1cccc(C#N)c1 320383788 LHMMYPRTFHTPGR-SWLSCSKDSA-N 244.338 2.536 30 20 BFED O/C(=N/C1CCCC1)c1cc2nc[nH]c2cc1F 329263689 FIGLBOMAHWNUDB-UHFFFAOYSA-N 247.273 2.949 30 20 BFED CCCC1(C(=O)N[C@@H]2CCC[C@H]2C#N)CCC1 331758998 ILPCFGKTZVXZGK-NWDGAFQWSA-N 234.343 2.765 30 20 BFED C=C[C@H](C)NC(=O)c1cc(F)cc2cccnc12 334461282 VTCUCUVLHQVUNW-VIFPVBQESA-N 244.269 2.678 30 20 BFED N#C[C@H]1CC[C@H](N2CCOC3(CCCCC3)C2)C1 334531167 DQVZJOVCMZXXMF-KBPBESRZSA-N 248.370 2.714 30 20 BFED CCc1ccc(NC(=O)[C@]2(C#N)C[C@@H]2C)cc1F 334654119 IKMKSTWXMCDHOG-XPTSAGLGSA-N 246.285 2.876 30 20 BFED C=C(CC)CN1CCC2(CCOCC2)CC1 334944307 AVCOLADDUWXAJQ-UHFFFAOYSA-N 223.360 2.845 30 20 BFED CC1(C#N)CN(Cc2cnc(C3CCC3)s2)C1 335170503 RABZXGVVOCTOHU-UHFFFAOYSA-N 247.367 2.756 30 20 BFED C=C[C@@H]1OCCC[C@H]1NC1CC2(CCC2)C1 335219630 SZRYDVIJJBHRST-OLZOCXBDSA-N 221.344 2.642 30 20 BFED Cc1cc(NC[C@@H]2CCCS2)cc(C#N)n1 335599734 AAWLVCIFHIPUPG-LBPRGKRZSA-N 233.340 2.569 30 20 BFED N#Cc1c(F)cccc1NC1CC(F)(F)C1 335639939 WBDZFQZHEYUDKV-UHFFFAOYSA-N 226.201 2.907 30 20 BFED Cc1ccc2c(C(=O)N[C@H](C)C#N)csc2c1 335785817 LRSJWACFKHCCIH-SECBINFHSA-N 244.319 2.852 30 20 BFED Cc1cc(C)c(C#N)c(N2CC[C@@](C)(F)C2)n1 335915829 DUKBHBUJSRJMKY-CYBMUJFWSA-N 233.290 2.508 30 20 BFED C=C[C@H]1CCCCN1C(=O)c1ccncc1C 336304586 XZDVZQIUBLGCCW-LBPRGKRZSA-N 230.311 2.571 30 20 BFED CC[C@@H]1CC[C@@H](C)N1C(=O)CC(C)(C)C#N 336506290 BIPBECZEISNORP-GHMZBOCLSA-N 222.332 2.716 30 20 BFED N#CC1(CN2CCS[C@H]3CCCC[C@H]32)CC1 336619369 PKUUYUPAVPWZRI-NEPJUHHUSA-N 236.384 2.650 30 20 BFED CCC[C@@H]1C[C@@H]1NC(=O)c1cccc(C#N)c1C 338128771 FTAAJNLTLWGSHY-RISCZKNCSA-N 242.322 2.785 30 20 BFED C=CCCN1C[C@H](C)N(CCC=C)C[C@@H]1C 338571604 QALFODMUSGPEHB-KBPBESRZSA-N 222.376 2.533 30 20 BFED C=CCCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 338620540 KGLBDEMJIBVSLO-CYDGBPFRSA-N 221.344 2.894 30 20 BFED CC(C)CC(=O)Nc1ccccc1CC#N 339169147 MTLNNGTXKCIVTP-UHFFFAOYSA-N 216.284 2.737 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@H](CC)C(C)(C)O 340506269 UFFDHTQPAWTIBS-SDDRHHMPSA-N 213.365 2.726 30 20 BFED C=CC[C@H](CC)NC(=O)N[C@H]1CCCSC1 342171229 RAADTUPTCVGCAN-QWRGUYRKSA-N 242.388 2.536 30 20 BFED C=CCn1cccc1-c1nc(CCCF)no1 351135496 DJULHNQOJHVVCV-UHFFFAOYSA-N 235.262 2.626 30 20 BFED COCCC(C)(C)Nc1cccc(F)c1C#N 353268282 QZXCWXNUNUDKSS-UHFFFAOYSA-N 236.290 2.924 30 20 BFED C=CCN(CCc1ccco1)C(=O)C[C@@H]1C[C@H]1C 355649075 KJBDPJAZLGSTOE-OLZOCXBDSA-N 247.338 2.883 30 20 BFED C=CCCC1(C(=O)N2CCC23CCC3)CC1 356260519 YGTUDAUBOPDTTO-UHFFFAOYSA-N 219.328 2.888 30 20 BFED C=CCN(C(=O)[C@H]1CCCC1(C)C)C1CC1 356314178 JGMICBGOHMBHNL-GFCCVEGCSA-N 221.344 2.990 30 20 BFED C=C[C@@H]1CCCCN1C(=O)[C@H](OC)[C@@H](C)CC 357151121 RHTUSARGWPNWLI-YNEHKIRRSA-N 239.359 2.615 30 20 BFED C#Cc1cc(F)c(NCC2CC2)c(F)c1 380161373 BPDJQUCFJHEFEC-UHFFFAOYSA-N 207.223 2.768 30 20 BFED C=C[C@@H](Nc1cccc(C(F)F)c1)C(=O)O 386334357 QKQDIRGEVSMFHN-SECBINFHSA-N 227.210 2.675 30 20 BFED C=CC[C@H](CC)N[C@@H]1CCO[C@@H](CC)C1 393738915 FHQHGWCFMCIYJK-XQQFMLRXSA-N 211.349 2.888 30 20 BFED C[C@H]1C[C@@H](C)N(Cc2ccc(CC#N)cc2)C1 398952916 FLYNNIFEOLPRDL-QWHCGFSZSA-N 228.339 2.983 30 20 BFED FC(F)(F)c1ccc(C#C[C@H]2CCNC2)cc1 404869744 XPBXTGFEQAUGOO-NSHDSACASA-N 239.240 2.666 30 20 BFED C#C[C@@H](Nc1cc(C#N)sc1[N+](=O)[O-])C(C)C 407092575 NKUGPWIASOKFTN-SECBINFHSA-N 249.295 2.598 30 20 BFED C=CCNC(=O)N[C@@H](CC=C)Cc1ccccc1 413028977 CXQSEJKLDFSOCN-AWEZNQCLSA-N 244.338 2.659 30 20 BFED C[C@@H]1O[C@H](C)C[C@H]1CNc1ccc(C#N)cc1F 413528323 GWKXCSAEJGVZSL-SCVCMEIPSA-N 248.301 2.923 30 20 BFED Cc1ccc(CC(C)(C)NC(=O)[C@@H](C)C#N)cc1 416284832 ZEMJCHCLUICBGT-LBPRGKRZSA-N 244.338 2.592 30 20 BFED C=C(C)C(C)(C)C(=O)NCCc1ccncc1C 424761605 FJOUCSBOCLPHNT-UHFFFAOYSA-N 246.354 2.651 30 20 BFED C=C[C@H]1CCCCN1Cc1ccn(C)c1 426569058 WLWJKFMJXLPBFO-ZDUSSCGKSA-N 204.317 2.566 30 20 BFED C[C@H]1CCC[C@@H](NC(=O)NCC2(CC#N)CC2)C1 430188396 UDAOLFNEAIOELN-NWDGAFQWSA-N 249.358 2.558 30 20 BFED C=CCCCCCN(C)CCC(=O)N(C)CC 431388506 VCMLSXQVTODAOO-UHFFFAOYSA-N 240.391 2.533 30 20 BFED C=C[C@H](C)NC(=O)c1cccc(F)c1SC 436173896 TVSQDAKGBCPXMR-QMMMGPOBSA-N 239.315 2.852 30 20 BFED C=C1CCN(CCCN2CCCCC2)CC1 444624469 LZHNHZBAEKCKCC-UHFFFAOYSA-N 222.376 2.514 30 20 BFED C=CC[C@H](C)NC(=O)c1ccc(C2CC2)cn1 446283410 KNVKUJCTLOBOCM-JTQLQIEISA-N 230.311 2.653 30 20 BFED C=C[C@@H]1OCC[C@H]1NCCC1CCCCC1 449516569 BCQVUOPECCBBNU-KGLIPLIRSA-N 223.360 2.890 30 20 BFED C[C@@H]1CCC[C@H](CCNC(=O)[C@]2(C#N)C[C@H]2C)C1 449870465 KLPXAUWAUOWMSZ-BHPKHCPMSA-N 248.370 2.869 30 20 BFED CC#CCNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 450297167 ICTJPHWFEVBVJA-HUUCEWRRSA-N 241.334 2.710 30 20 BFED CC1(C)CCC(SC[C@H](O)CC#N)CC1 450915395 QBNDINJLCCWKLL-SNVBAGLBSA-N 227.373 2.963 30 20 BFED C=CCCCC(=O)N[C@H](CC)C(F)F 452241482 HESDYONYIYRJLH-MRVPVSSYSA-N 205.248 2.503 30 20 BFED C=C(C)CCNC(=O)c1cc(C(C)=O)cs1 452725779 TVXZCVWDHMYHTI-UHFFFAOYSA-N 237.324 2.647 30 20 BFED C=C(C)CCNC(=O)c1ccc(O)c(CC)c1 456122204 NMHIRQXPYYNVGN-UHFFFAOYSA-N 233.311 2.651 30 20 BFED Cc1nc(C(C)C)oc1CN[C@@H]1CCC[C@H]1C#N 459452281 BGEULBCYSINWGN-NWDGAFQWSA-N 247.342 2.888 30 20 BFED Cc1nc(N(C)[C@H]2CC[C@H](C)C2)ccc1C#N 487733883 WDQVCLWDJVOXSR-GWCFXTLKSA-N 229.327 2.887 30 20 BFED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)CSC 488870836 TZSVUUVPEBWOJI-WDEREUQCSA-N 227.373 2.553 30 20 BFED CC(C)(CC#N)CNC(=O)/C=C/c1ccccc1 493284583 BPLOPGHORRJBDV-CMDGGOBGSA-N 242.322 2.756 30 20 BFED C=C(C)CN(CC)C(=O)c1occ2c1CCC2 505355437 ILLWOJOECVGUHI-UHFFFAOYSA-N 233.311 2.807 30 20 BFED Cc1cc(C#N)ccc1OCc1ccc(F)cn1 516696826 ORDXBRBECBRKHA-UHFFFAOYSA-N 242.253 2.980 30 20 BFED CC(C)CN(CC(C)(C)C)c1cc(C#N)ncn1 519617553 IWRDXVQZCFSGGT-UHFFFAOYSA-N 246.358 2.857 30 20 BFED C=CCNC(=O)Nc1cccc2c1OC(C)(C)C2 530448986 LROVEFSLCNDGPP-UHFFFAOYSA-N 246.310 2.708 30 20 BFED C=Cc1ccc(C(=O)N[C@](C)(C#N)CC)cc1 556447839 VCRRDMSLIPYJIA-AWEZNQCLSA-N 228.295 2.752 30 20 BFED C=CCN(CCC#N)C[C@H]1CCC2(CCCC2)O1 559264068 ZGVNITPLXFSBEI-CQSZACIVSA-N 248.370 2.880 30 20 BFED C=CCCCCN(C)CC1(N(C)C)CCC1 562699472 GUECRXCBRBEBOE-UHFFFAOYSA-N 224.392 2.759 30 20 BFED C=CCCCCN[C@H](C)C1(OC)CCC1 562704970 WXPMKZXVSCMHRA-GFCCVEGCSA-N 211.349 2.890 30 20 BFED CC[C@H](CC#N)NCCCC(C)(C)C#N 570291659 MCWFUSXCPNTPFV-LLVKDONJSA-N 207.321 2.598 30 20 BFED C=CCCCCN1CCC[C@@](C)(OC)C1 571374993 ZRTNFPBPUSUNMC-CYBMUJFWSA-N 211.349 2.844 30 20 BFED COCCN(CC#N)C[C@@H]1CCCC(C)(C)C1 573061556 JWOBRYMPAMBMHU-CYBMUJFWSA-N 238.375 2.675 30 20 BFED CSC1(CN2CCC[C@@](C)(C#N)C2)CCC1 589511503 PMTBJSFPAIFXBJ-LBPRGKRZSA-N 238.400 2.898 30 20 BFED C=C1CCN(C(=O)[C@@H](C)c2c(C)noc2C)CC1 591092604 ZRYVIBFLLIGUGQ-JTQLQIEISA-N 248.326 2.574 30 20 BFED CCc1nc(C#N)cc(SCC=C(C)C)n1 596214166 NYUCJRSUZVGHCE-UHFFFAOYSA-N 233.340 2.969 30 20 BFED C=CCN(CCC#N)Cc1ncccc1Cl 599427538 CISKMCRRBQPKDP-UHFFFAOYSA-N 235.718 2.637 30 20 BFED CCN(Cc1c(C)cccc1OC)C[C@@H](C)C#N 602448494 VIUSVLGVKXQRMB-LBPRGKRZSA-N 246.354 2.985 30 20 BFED CC(C)(CN(CC#N)C1CC1)Oc1ccccc1 602450728 XJCDZRYBTIDAOE-UHFFFAOYSA-N 244.338 2.832 30 20 BFED CC[C@@H]1CN(C[C@H](C)CCC#N)C[C@@H](CC)O1 602697127 HXAQOONNSWRJMO-MGPQQGTHSA-N 238.375 2.816 30 20 BFED C=C[C@H]1CCCCN1c1cc(C)c([N+](=O)[O-])cn1 618687013 BEDULCHLCQATGX-NSHDSACASA-N 247.298 2.843 30 20 BFED C=CCCC(C)(C)NC(=O)[C@@H]1O[C@@H](C)C[C@H]1C 620857175 QPLSBYWHPKIOTH-GRYCIOLGSA-N 239.359 2.661 30 20 BFED C=CCCC(C)(C)NC(=O)c1cncc(F)c1 620859023 VCQXGEZBMRDPBR-UHFFFAOYSA-N 236.290 2.695 30 20 BFED C=CC1CCN(C(=O)NCC2CC(C)C2)CC1 621522693 KFXQRIHUKDUTIM-UHFFFAOYSA-N 236.359 2.640 30 20 BFED C=C(CC)CNC(=O)c1c[nH]cc1C1CC1 640390141 NMMWPFHZSQQNOQ-UHFFFAOYSA-N 218.300 2.588 30 20 BFED C=CC[C@H]1CC[C@@H](N[C@@H]2CCCC[C@H]2O)C1 651766319 CQTHZSYSNDZMQD-REWJHTLYSA-N 223.360 2.624 30 20 BFED C=CC[C@H]1CCCN([C@@H](C)c2nc(C)no2)C1 661378331 CVDIQLVBTOFCPZ-JQWIXIFHSA-N 235.331 2.727 30 20 BFED C=CCn1c(CC)nnc1N(C)CCC(C)C 669811193 BFLCCNWYPZIYRT-UHFFFAOYSA-N 236.363 2.509 30 20 BFED C=CCN(Cc1cccc(N(C)C)c1)C1CC1 678537244 UQBUJOANNAWCJZ-UHFFFAOYSA-N 230.355 2.903 30 20 BFED C=C(CC)CN1C[C@H](C)O[C@H](C(F)(F)F)C1 678624714 MQOSRMPGXUOIKW-UWVGGRQHSA-N 237.265 2.604 30 20 BFED COCC#CCN[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 680383505 QVOVMWDOGPUIHA-SOUVJXGZSA-N 237.387 2.687 30 20 BFED C=CC[C@H]1CCCN(C(=O)c2ccc(C#N)o2)C1 703642487 AICNLRKNWBLRBI-NSHDSACASA-N 244.294 2.580 30 20 BFED C[C@H](CC(C)(C)C#N)N[C@H](C)C(F)(F)F 709963451 JWSXJUBZMMHLDH-HTQZYQBOSA-N 222.254 2.855 30 20 BFED CCCNN=Cc1cccc(OCCCC#N)c1 726737371 PSLSXVFXZCMWEG-UHFFFAOYSA-N 245.326 2.703 30 20 BFED C[C@@H]1CCCC1=NNc1cncc(Cl)n1 729142097 MEIBGTRGCTVZHP-SSDOTTSWSA-N 224.695 2.718 30 20 BFED C#CC(C)(C)NC(=O)[C@@H](C)c1ccc(CC)cc1 733976830 YSLRBQHWZUWAKM-LBPRGKRZSA-N 243.350 2.881 30 20 BFED C=CCCNc1ccc(CN(C)C(=O)O)cc1 736102801 ZZLXKFQTXIRBSC-UHFFFAOYSA-N 234.299 2.784 30 20 BFED CCCNN=Cc1ccc(SC)c(OC)c1 746489969 LNDGORRURDGXSZ-UHFFFAOYSA-N 238.356 2.751 30 20 BFED C=CCN(C(=O)[C@H](CC)SC)C(C)C 746816942 PEUYSLRYLRYMAA-JTQLQIEISA-N 215.362 2.551 30 20 BFED N#Cc1c(CON=C2CCC2)cn2ccccc12 747836456 SZRPINDGXLUFHQ-UHFFFAOYSA-N 239.278 2.867 30 20 BFED C=C(Cl)COC(=O)C12CCC(CC1)C2 752120968 NMUOTMOAHLOBIJ-UHFFFAOYSA-N 214.692 2.862 30 20 BFED CC[C@H](C#N)OC(=O)c1cc2ccccc2n1C 753422604 SAQRKSYVBDXCPD-LLVKDONJSA-N 242.278 2.637 30 20 BFED C#CCOCCN[C@@H](CCC)c1ccccc1 753767816 MLNYPBBPQSIWIG-HNNXBMFYSA-N 231.339 2.767 30 20 BFED C=C[C@@H](CC(=O)O[C@@H](C)C(C)=O)c1ccccc1 758912775 NSTXSRWRHSRRMK-STQMWFEESA-N 246.306 2.867 30 20 BFED C#C[C@H](CC)NC(=O)c1cc(Cl)cs1 760533028 WKHOGUPPBLLLEQ-MRVPVSSYSA-N 227.716 2.543 30 20 BFED CC/C(C)=C(/C)C(=O)N[C@@H](CC)CC#N 762718572 GWZRWWJNLGXBLO-JUDLJHIGSA-N 208.305 2.541 30 20 BFED C#CCCCOC(=O)c1ccc(C(=O)CC)cc1 766904860 DIRZTGMHKITTMT-UHFFFAOYSA-N 244.290 2.850 30 20 BFED C#CCOc1ccc(CN2CC[C@H](C)[C@@H]2C)cc1 770283118 IOYIMFCMJVBSDN-KBPBESRZSA-N 243.350 2.929 30 20 BFED CCCCCCCN1CCN(C)[C@H](C)[C@H]1C 771460342 OMNSKWYWZSGEOV-ZIAGYGMSSA-N 226.408 2.981 30 20 BFED C=CCCC(=O)OCc1cnoc1C1CC1 773500822 JLWBDDJTFYHQKV-UHFFFAOYSA-N 221.256 2.561 30 20 BFED CCOCCON=C(C)c1c(F)cccc1F 774423846 YSKJKGMHAVRQPN-UHFFFAOYSA-N 243.253 2.742 30 20 BFED C#Cc1ccccc1C(C)=NOC1CCOCC1 774433528 POYIBAYAPKTCOU-UHFFFAOYSA-N 243.306 2.588 30 20 BFED CCC(=NN[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCOC1 774595386 CFPKCDYHHNRZQD-ZJQBRPOHSA-N 236.359 2.567 30 20 BFED C=CCCOCC(=O)O[C@@H]1CCC[C@H](C)[C@@H]1C 779272510 FKXGGOYBHQLXFE-RWMBFGLXSA-N 240.343 2.947 30 20 BFED CC#CCCNC(=O)/C=C(\C)c1ccc(F)cc1 779448034 OIOFINLLXAQKNO-VAWYXSNFSA-N 245.297 2.759 30 20 BFED CC[C@H](C)c1ccc(C(=O)NCCC#N)cc1 787620377 SVVGXDOSDRZPSM-NSHDSACASA-N 230.311 2.844 30 20 BFED CC(C)CNN=Cc1ccc(N(C)C(C)C)nc1 790169901 CQMMBTCIUCWOJZ-UHFFFAOYSA-N 248.374 2.506 30 20 BFED CC[C@H](C)NN=Cc1ccc(-n2ccnc2)cc1 790183676 USCFOEKNXKAEQI-LBPRGKRZSA-N 242.326 2.594 30 20 BFED CC(=NNc1ncccc1C)c1ccccc1O 790189751 DGXIHZIVSMYZEF-UHFFFAOYSA-N 241.294 2.932 30 20 BFED CC(C)Cc1ccccc1C(=O)O[C@H](C)C#N 791740644 GCYHOPVCYVEWDN-LLVKDONJSA-N 231.295 2.954 30 20 BFED CO[C@@H]1CCCCC1=NN[C@H](C)C(C)(C)C 793116469 STDOAYMMFHPACQ-ZYHUDNBSSA-N 226.364 2.956 30 20 BFED CC[C@H](C)CON=Cc1cn2ccccc2n1 793160172 URSFEUHWCRMQRR-NSHDSACASA-N 231.299 2.731 30 20 BFED C=C(C)COC(=O)c1nc(C(C)C)oc1C 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2.538 30 20 BFED C=CCCCCCCCNC(=O)c1cn[nH]c1 811589845 INMKFSMRKXWAKX-UHFFFAOYSA-N 235.331 2.666 30 20 BFED CC[C@@H](O)CNN=C1CCC2(CCCC2)CC1 811653887 PKPZEIXOHWFEET-CYBMUJFWSA-N 238.375 2.837 30 20 BFED C#C[C@@H](C)NC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 812003955 MIPCPBYTUMACMV-MCYUEQNJSA-N 248.370 2.522 30 20 BFED CC(=NN[C@@H](C)c1ccccc1)c1csnn1 814815265 RMBGMKNRRHCYTD-VIFPVBQESA-N 246.339 2.613 30 20 BFED CC[C@@H](C)CON=Cc1cccc(C(=O)O)c1 814939658 YDATUXXEIFBCQU-SNVBAGLBSA-N 235.283 2.781 30 20 BFED C#CCCCNC(=O)c1ccc(C(C)C)nc1C 815714759 HLMYDWZRQDHYRE-UHFFFAOYSA-N 244.338 2.657 30 20 BFED CCCc1[nH]ccc1C(=O)O[C@@H](CC)CC#N 817729277 BNGAPEOGNPBZKP-JTQLQIEISA-N 234.299 2.816 30 20 BFED COc1cc(C(=O)/C=C/c2cccc(C)c2)on1 821021016 AZHJWLYOVKFVLH-VOTSOKGWSA-N 243.262 2.888 30 20 BFED C=CCCNCc1cc(Cl)c(F)cc1O 826915768 VPUKNPOFPWRARB-UHFFFAOYSA-N 229.682 2.850 30 20 BFED C=CCC(CC=C)C(=O)N(CC)OCC 831470956 HWSSULBKWVQWOZ-UHFFFAOYSA-N 211.305 2.555 30 20 BFED CCCc1csc(NC(=O)C#CC(C)C)n1 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N#Cc1cccc(C=NOCC2CCC2)c1 853440198 XRGUZUUWXVJPML-UHFFFAOYSA-N 214.268 2.709 30 20 BFED CC#CC(=O)N1CCC[C@@H](C2CCCCC2)C1 856303450 FODJNFGWMKDXFZ-CQSZACIVSA-N 233.355 2.829 30 20 BFED C#CCCOC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 858876864 SKRIACWPHCQLPD-GRYCIOLGSA-N 223.316 2.561 30 20 BFED C#CCCOC(=O)NC[C@@H](C)c1ccc(F)cc1 858917614 VMVDKRMTNWMVHQ-LLVKDONJSA-N 249.285 2.679 30 20 BFED C#CCCCOC(=O)C[C@@H](C)c1ccco1 859814655 IMNRQQJRGWEGIU-LLVKDONJSA-N 220.268 2.730 30 20 BFED CC(C)(C)[C@@H](C#N)OC(=O)[C@@H]1C[C@H]1c1ccco1 860646257 CPNBAXKWXRTAFI-CKYFFXLPSA-N 247.294 2.865 30 20 BFED C=CC(C)(C)CC(=O)Nc1cnc(C)s1 879278234 KVOOSFCWUQHVKL-UHFFFAOYSA-N 224.329 2.992 30 20 BFED C=CC(C)(C)CC(=O)N(CCCC)CCCO 879386731 QHDFLOJFLSQZRG-UHFFFAOYSA-N 241.375 2.600 30 20 BFED C=CC[C@@H](CC)NC(=O)N1CCC[C@H](CF)C1 883623838 HDEGKBZEYQXLSP-VXGBXAGGSA-N 242.338 2.732 30 20 BFED C=CC(C)(C)CC(=O)OCC1CC(OCC)C1 884649035 QKVPBVSSJUOQJV-UHFFFAOYSA-N 240.343 2.947 30 20 BFED C#Cc1ccc(NC(=O)[C@H](C)C2CC2)cc1 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2.534 30 20 BFED C=CC[C@@H](CC)NC(=O)[C@H]1C[C@H](C)O[C@H](C)C1 337105608 ZJYPVMQHDRKJRP-YVECIDJPSA-N 239.359 2.661 30 20 BFED Cn1nccc1CCSc1ccccc1C#N 338406646 HFYVBRPUDAPSNO-UHFFFAOYSA-N 243.335 2.627 30 20 BFED C=CCCN(C)[C@H]1C[C@@H](OCC)C1(C)C 338549351 RDQOAHWSAUVXRB-NWDGAFQWSA-N 211.349 2.698 30 20 BFED N#C[C@@H]1CC[C@@H](N2C[C@H]3CCCC[C@H]3C2)C1 339012864 IPOKDOIHPXBZOX-YIYPIFLZSA-N 218.344 2.801 30 20 BFED C=CC[C@@H](CC)NC(=O)N(C)[C@H]1CC1(C)C 341425619 AXHDWRULSQSXPQ-MNOVXSKESA-N 224.348 2.781 30 20 BFED C=CCCN(C)C(=O)NCC1(CCC)CC1 342175068 CNBJIFOLIURULX-UHFFFAOYSA-N 224.348 2.784 30 20 BFED C=CCCN(C)C(=O)c1ccnn1C(CC)CC 342555398 KFWYUSAYZVFUDL-UHFFFAOYSA-N 249.358 2.892 30 20 BFED C=CCC(C)(C)C(=O)N1CC[C@@H]1C(C)C 345451637 FXZVBXWQAFGZRI-LLVKDONJSA-N 209.333 2.846 30 20 BFED CC(C)(CCC#N)CN1CCC(F)(F)C1 346298956 SFYYNPWGTPJXJZ-UHFFFAOYSA-N 216.275 2.657 30 20 BFED C=CCOCCCN(CC(C)C)C1CC1 347976097 YCXFNBWNICSMDT-UHFFFAOYSA-N 211.349 2.700 30 20 BFED CC(=O)c1ccccc1OCC1(C#N)CC1 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CC(C)CC[C@H]1CCCN1c1ccc(C#N)nn1 301987980 ZVPIRWZWRKHENB-CYBMUJFWSA-N 244.342 2.753 30 20 BFED C=C[C@H](C(=O)OC)N1CCC(CC)(CC)CC1 304212719 IGAVDBAMAQVEIX-GFCCVEGCSA-N 239.359 2.616 30 20 BFED C=C(Br)CN1CCC(F)(F)CC1 306166391 CFBKTVHKLYSCFG-UHFFFAOYSA-N 240.091 2.626 30 20 BFED C=C(C)CS(=O)(=O)c1ccc(Cl)s1 307267409 DWGZPTAMIQBZEM-UHFFFAOYSA-N 236.745 2.751 30 20 BFED Cc1cc(NCCCCOC(C)C)cc(C#N)n1 308280376 XOENXCPJKZKAEZ-UHFFFAOYSA-N 247.342 2.879 30 20 BFED C=CCCCC[C@H](C)N[C@@H]1C[C@H](O)C1(C)C 309427531 AZJLUIPMBMKRRN-XQQFMLRXSA-N 225.376 2.870 30 20 BFED C=CCOc1ccc(CN[C@@H](C)CF)cc1 309810438 YWGFOZDWIPBCMX-NSHDSACASA-N 223.291 2.699 30 20 BFED C=C(C)CCN[C@H](C(=O)OCC)C(C)(C)C 309927968 WHAZKJABLLYFHV-LLVKDONJSA-N 227.348 2.520 30 20 BFED CCC[C@@H](C#N)NC(=O)[C@H]1CC2CCC1CC2 310361270 UIWFNFBZDMVPRJ-TYUFSLCMSA-N 234.343 2.621 30 20 BFED CO[C@H](C)[C@@H](C)Nc1cccc(CC#N)c1 313485018 WMXOKXDAXQMPEZ-GHMZBOCLSA-N 218.300 2.588 30 20 BFED C[C@@H]1CCC[C@@H](C)C1NC(=O)CC(C)(C)C#N 334383672 LEVGMTQRJSHVLO-GHMZBOCLSA-N 236.359 2.867 30 20 BFED Cc1cc(CN[C@H]2CC[C@H](C#N)C2)ccc1F 334546575 JEGZCMDIVKZVFN-AAEUAGOBSA-N 232.302 2.916 30 20 BFED N#Cc1cnc(N[C@H]2C=CCCC2)c(F)c1 334580039 QTOSVROMDOYHDL-JTQLQIEISA-N 217.247 2.613 30 20 BFED C[C@H]1CCCCN(c2ncc(C#N)cc2F)C1 334817480 FSBXSUQHMAZPJY-JTQLQIEISA-N 233.290 2.719 30 20 BFED C=CC1CCN(C(=O)[C@@H](C)C2CCC2)CC1 335118393 SIXRMELRAWZSBL-NSHDSACASA-N 221.344 2.847 30 20 BFED CC1(C)CCCN(C(=O)N[C@@H]2CCC[C@H]2C#N)C1 335329818 MCRYOPXCTDJITL-NWDGAFQWSA-N 249.358 2.510 30 20 BFED C[C@H](c1cccc(C#N)c1)N1CCC(F)(F)C1 335720151 ONCIIIYTTORIRF-SNVBAGLBSA-N 236.265 2.960 30 20 BFED C=CCC1(C(=O)N2CCO[C@H]3CCC[C@@H]32)CCC1 336220147 QQWRBMRWQYCGPI-STQMWFEESA-N 249.354 2.513 30 20 BFED N#Cc1cccc(C(=O)N2CC[C@H]3CCC[C@@H]32)c1 336385173 XKRYXOZCQBYORW-OCCSQVGLSA-N 240.306 2.573 30 20 BFED N#C[C@@H]1CCC[C@@H](NC[C@@H]2CCCSC2)C1 336696935 MDCPOPVMZQFUDV-FRRDWIJNSA-N 238.400 2.802 30 20 BFED C=CC[C@H](CC)NC(=O)c1cc(C(C)C)[nH]n1 337092477 MHIUBHISNQPDOT-JTQLQIEISA-N 235.331 2.618 30 20 BFED C=CC[C@@H](CC)NC(=O)Nc1nc(C)cs1 337210772 CYTLJBPEJXPWGO-SECBINFHSA-N 239.344 2.928 30 20 BFED N#Cc1cc(F)ccc1N[C@@H]1CCC[C@H]1F 338825938 ZEDIVVLPRMFDHR-ZYHUDNBSSA-N 222.238 3.000 30 20 BFED C=CCSCCNC(=O)[C@H]1CC=CC[C@H]1C 341457019 OTEPQUNYBPZGKU-NEPJUHHUSA-N 239.384 2.624 30 20 BFED CC#CCCNCc1ccc(OC)c(OC)c1C 348130284 BXKYTCAPALWPCM-UHFFFAOYSA-N 247.338 2.515 30 20 BFED C[C@@H](C(=O)N[C@H](C#N)c1ccccc1F)C1CC1 349448346 RFWXDXKGPRVNIT-NOZJJQNGSA-N 246.285 2.553 30 20 BFED C=CC[C@H](CC)NC(=O)N[C@H]1CC[C@@H](C)C1 350461200 MMNOTPGGQQTJFD-WOPDTQHZSA-N 224.348 2.829 30 20 BFED C=CCn1c(C)nnc1N(CC1CC1)C1CCC1 350753329 YRKQQGWSFMHZEA-UHFFFAOYSA-N 246.358 2.541 30 20 BFED CC(C)CCO[C@@H]1CCN([C@@H](C)CCC#N)C1 351178407 BUPJPNCZBBWPRB-UONOGXRCSA-N 238.375 2.816 30 20 BFED C=CC[C@H](CC)NC(=O)c1ncccc1Cl 352767399 CKQAZDBIEOITCE-VIFPVBQESA-N 238.718 2.820 30 20 BFED C=CCCCCN[C@H]1CCCc2nn(C)cc21 358990476 PCUBOTOEPIAQQG-ZDUSSCGKSA-N 233.359 2.743 30 20 BFED C=C[C@H](C)NC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 362371590 SGLZOGTYFUNXOF-WHCZJHEKSA-N 248.370 2.685 30 20 BFED N#CCSCCCN1CCC2(CC1)CC2 371206588 YZGXJBAZNHRCPB-UHFFFAOYSA-N 224.373 2.509 30 20 BFED C#C[C@@](C)(CC)NC(=O)c1ccc(F)cc1C 384207181 NRMJRKRGBGFGBP-AWEZNQCLSA-N 233.286 2.666 30 20 BFED N#CCc1ccc(COc2ccc(F)nc2)cc1 399033004 MODXMZILCARELG-UHFFFAOYSA-N 242.253 2.866 30 20 BFED C[C@@H]1CN(CC2(CC#N)CC2)[C@H](C)[C@@H]1C 399693499 VRRVXQFPVWUDQD-IJLUTSLNSA-N 206.333 2.657 30 20 BFED C=C[C@@H]1CCCCN1CCc1cncs1 411655717 MIWFKUDGBKLYRN-LLVKDONJSA-N 222.357 2.726 30 20 BFED N#Cc1ccc(OCCOCC2CCC2)cc1F 416923696 OIRQGUKAGUVJJU-UHFFFAOYSA-N 249.285 2.893 30 20 BFED CC[C@@H](Nc1cncc(C#N)n1)[C@H]1CC1(C)C 420648070 CRRPAPXWKOKAOG-GHMZBOCLSA-N 230.315 2.585 30 20 BFED Cc1cncc(CN2CCc3c(C#N)cccc32)c1 420972198 JTQBJHHTLVYAEZ-UHFFFAOYSA-N 249.317 2.824 30 20 BFED C=CCC[C@H](CCC)NC1CCN(OC)CC1 421396508 KBYWODMPELBQAZ-ZDUSSCGKSA-N 240.391 2.737 30 20 BFED Cc1cc(F)c(CNCCCC#N)c(F)c1 424162133 CEBBSRREZRPSEQ-UHFFFAOYSA-N 224.254 2.667 30 20 BFED C=C(CC)CNC(=O)[C@H]1CCCC[C@H]1C 424863188 IBQDLWXCOKEXPH-NEPJUHHUSA-N 209.333 2.895 30 20 BFED C=C(C)CN(CC)C(=O)[C@@H]1CCC[C@H](OC)C1 432498077 USOPSYZHVBSYGZ-OLZOCXBDSA-N 239.359 2.616 30 20 BFED C=CCN(CC=C)C(=O)CSC[C@H](F)CC 442542252 LTVQHGLDGHZWPM-LLVKDONJSA-N 245.363 2.668 30 20 BFED CCc1noc(CC)c1CN[C@@H]1CC[C@H](C#N)C1 442784582 SARDFQILOWSAEL-WDEREUQCSA-N 247.342 2.581 30 20 BFED COc1cc(CN2CC[C@@H]2C(C)C)ccc1C#N 442884035 JILQULDVGYOAAW-CQSZACIVSA-N 244.338 2.797 30 20 BFED CC1(C)CCCCN(C[C@H](C#N)CCC#N)C1 446078718 NEYVPDLJTSPMJR-ZDUSSCGKSA-N 233.359 2.942 30 20 BFED C=CCSCCNC(=O)C(C)(C)C1CCC1 448817523 FCMQCHPQXLFFNO-UHFFFAOYSA-N 241.400 2.848 30 20 BFED C=CCC[C@H](CCC)N[C@@H](CC)[C@H](C)O 449547434 XYRFNVHDRQNLAP-AVGNSLFASA-N 213.365 2.870 30 20 BFED C=CCC[C@@H](CC)N[C@@H](C)Cc1cnn(C)c1 449584327 JLYNDIPILKOEBF-GXTWGEPZSA-N 235.375 2.686 30 20 BFED C[C@H]1C[C@H](CC(F)(F)F)[C@@H](C)N1CC#N 451146789 NAOHQFNJXBKGBI-DJLDLDEBSA-N 220.238 2.561 30 20 BFED C=CCCC(=O)NC[C@@](C)(OC)c1ccccc1 452780535 SGMBIHZZEMGQAE-OAHLLOKOSA-N 247.338 2.631 30 20 BFED C=CCC[C@@H](NC[C@H](C)CCCO)C1CC1 453272642 IIBJFSHBMLTZIY-TZMCWYRMSA-N 225.376 2.729 30 20 BFED C=C(C)CCNC(=O)N1C[C@H](C)C[C@@H](C)C1 459020847 OIDMPPIWYKQVKR-VXGBXAGGSA-N 224.348 2.640 30 20 BFED C=CCC1(C(=O)Nc2cnccn2)CCCCC1 459915344 IUQYGAQWKSEGTG-UHFFFAOYSA-N 245.326 2.942 30 20 BFED C#C[C@H](NC(=O)/C(C)=C(/C)CC)C(C)C 490994899 GQXYKENOGPOUED-WEHUKYGOSA-N 207.317 2.507 30 20 BFED COCC(C)(C)CNc1ccc(CC#N)cc1 494337007 ZBQXNTGOANHJRP-UHFFFAOYSA-N 232.327 2.837 30 20 BFED N#CCN(Cc1scnc1C1CC1)C1CC1 495171449 FXOWRFKPEWGLAT-UHFFFAOYSA-N 233.340 2.508 30 20 BFED N#CCN(C(=O)c1cccc(C2CC2)c1)C1CC1 519612580 XAHASLHOIGOYBH-UHFFFAOYSA-N 240.306 2.692 30 20 BFED N#C[C@@H]1CC[C@H](NCc2ccc3cc[nH]c3c2)C1 527719047 FOHFGGAVWOVJQW-RISCZKNCSA-N 239.322 2.950 30 20 BFED C=Cc1ccc(C(=O)N[C@H](C#N)CCC)cc1 551611835 FWSVUWOMLBANQN-ZDUSSCGKSA-N 228.295 2.752 30 20 BFED C=CCC[C@@H](NCc1cc[nH]n1)c1ccco1 552248399 FPWCOVBQPMTBHC-GFCCVEGCSA-N 231.299 2.800 30 20 BFED N#CC1(CN[C@@H]2CCCC23CCC3)CC1 556168897 NQNRALKVTHWFAD-LLVKDONJSA-N 204.317 2.603 30 20 BFED C[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cn1 562046806 GPRXUAHACGHJFC-BXUZGUMPSA-N 229.327 2.622 30 20 BFED C=CCCCCN1C[C@@H](CO)c2ccccc21 562704056 BBOTWCQDDMHFKE-ZDUSSCGKSA-N 231.339 2.939 30 20 BFED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccoc1 580875743 UNNRDUGSDDRVNV-UHTWSYAYSA-N 221.300 2.664 30 20 BFED CCN(CCSC)Cc1ccc(C#N)s1 592529351 LBDCNKPLFNTYEC-UHFFFAOYSA-N 240.397 2.805 30 20 BFED C=C[C@@](C)(CC)C(=O)N(CC)CCSC 592744627 QOAZLCKLWPONPR-LBPRGKRZSA-N 229.389 2.800 30 20 BFED CC[C@H](C#N)C(=O)N1CCC[C@@H]1C(C)(C)C 593451080 TXSXOXYLNRZSFH-GHMZBOCLSA-N 222.332 2.573 30 20 BFED CC[C@@H](CC#N)NCc1cccc(N(C)C)c1 594006875 UVSVCDJKMYUEQL-ZDUSSCGKSA-N 231.343 2.534 30 20 BFED C[C@@H](C1CC1)N(C)CCc1ccc(C#N)cc1 595292050 ONOPCIKSTBLDDT-LBPRGKRZSA-N 228.339 2.831 30 20 BFED CCN(CCc1noc2ccccc12)[C@@H](C)C#N 595817486 JSJQLUXKZKIJAL-NSHDSACASA-N 243.310 2.604 30 20 BFED CN(CC1CC1)C(=O)CC1(C#N)CCCCC1 596846233 XHPOAZYTDZYCOX-UHFFFAOYSA-N 234.343 2.719 30 20 BFED CC(C)n1cc(CN2CCC[C@H](CC#N)C2)cn1 597175069 VIQNTMDPKALHAO-CYBMUJFWSA-N 246.358 2.590 30 20 BFED CC1=NN([C@@H]2CCC[C@H](C)C2)C(=O)[C@H]1CCC#N 601940935 TYNUVIBDVFSDEK-UHTWSYAYSA-N 247.342 2.703 30 20 BFED Cc1cccc(CCCNC[C@H](C)CCC#N)n1 602651585 SUOVWORYFNWZCW-CYBMUJFWSA-N 245.370 2.852 30 20 BFED C[C@H](CC#N)NCc1cc(F)ccc1Cl 602870039 KFXUYIRMJVLJCR-MRVPVSSYSA-N 226.682 2.871 30 20 BFED COc1cccc(C[C@H]2CCCN2CCC#N)c1 603844605 SJVKACDKLGACMT-CQSZACIVSA-N 244.338 2.616 30 20 BFED Cc1ccc(C(=O)N[C@H](C#N)CC(C)C)cc1F 608821649 UQPWLJPDAIPEMG-LBPRGKRZSA-N 248.301 2.802 30 20 BFED C=CCCC(=O)N[C@@H](C)c1cccc(C#N)c1 610361640 HZFKRWAJPFRFML-NSHDSACASA-N 228.295 2.702 30 20 BFED N#C[C@]1(F)CCN(Cc2cccc3cc[nH]c23)C1 615649693 BGARDFNKUWJGFT-CQSZACIVSA-N 243.285 2.605 30 20 BFED C=CCCNC(=O)CCc1ccc(F)cc1F 617616750 GFQMHJQKMRRWEG-UHFFFAOYSA-N 239.265 2.590 30 20 BFED C=C[C@H](NCC[C@H]1CCCC[C@@H]1C)C(=O)OC 619701202 ANVAQGVKFZPIRD-XQQFMLRXSA-N 239.359 2.520 30 20 BFED C=C[C@@H](N[C@H](c1ccccc1)C(C)C)C(=O)OC 619715984 GNRZWEVYIOHBOK-KGLIPLIRSA-N 247.338 2.701 30 20 BFED C=CCN(C(=O)[C@H](C)[C@@H](C)COC)C(C)(C)C 622945452 DURYCPLTFLCXBH-NWDGAFQWSA-N 241.375 2.718 30 20 BFED C=CCN(CCOC)Cc1ccc2[nH]ccc2c1 628251686 RMZFCDZTGZTSRG-UHFFFAOYSA-N 244.338 2.802 30 20 BFED C=CCCN(C)Cc1ccc2nccnc2c1 639092096 SXBRZMYGGFRGCD-UHFFFAOYSA-N 227.311 2.638 30 20 BFED CC#CC[C@H](CO)NCc1cccc(C(C)C)c1 641768087 WAXXEPNKRPHUTQ-MRXNPFEDSA-N 245.366 2.674 30 20 BFED C=CCCOCC(=O)N(C)[C@H](C)CCCC 641854808 HITHUSNCMFUBIZ-GFCCVEGCSA-N 227.348 2.616 30 20 BFED C=CCCN(C)C(=O)[C@@]1(C)CCc2ccccc21 648365774 ZFMOGOVDTKCFQP-INIZCTEOSA-N 243.350 2.925 30 20 BFED C=CCCn1cc(CN[C@H]2CCCC[C@@H]2C)nn1 653614963 UFEHTKGNBJJZQI-JSGCOSHPSA-N 248.374 2.523 30 20 BFED C=CCOCCNCc1cc2ccncc2s1 657428810 BSAYRSFCNZCYOL-UHFFFAOYSA-N 248.351 2.589 30 20 BFED C=CCCNCc1cccc2c1CCC2 657583464 LUMZVSDHCLKRML-UHFFFAOYSA-N 201.313 2.841 30 20 BFED C=CCN(C[C@@H](CC(C)C)OC)[C@H](C)COC 661239519 HOLMECKROSYSJQ-ZIAGYGMSSA-N 243.391 2.570 30 20 BFED C=CCCNC(=O)N[C@@]1(C)CCCC[C@@H]1C 665940701 JYBQENUHMUXYPX-AAEUAGOBSA-N 224.348 2.831 30 20 BFED C#CC1CCN(C(=O)/C=C/c2ccccc2)CC1 692293458 IXWIBFXZAXVIMG-CMDGGOBGSA-N 239.318 2.572 30 20 BFED C=C(Cl)CNC(=O)/C=C/c1cccs1 700630112 MVIAALTUWCYHSE-SNAWJCMRSA-N 227.716 2.630 30 20 BFED C#C[C@H](N[C@H]1CCO[C@H](CC)C1)C(C)(C)C 702273873 AYVKMHJPLRAIPU-XQQFMLRXSA-N 223.360 2.582 30 20 BFED C[C@@H](CN1CCC[C@H](C#N)C1)C(C)(C)C 711157090 RUHVSHCZEKPNNN-NWDGAFQWSA-N 208.349 2.904 30 20 BFED CCCNN=C(Cc1ccccc1)C1CC1 729141802 GMXIQKLMRZHMAP-UHFFFAOYSA-N 216.328 2.995 30 20 BFED C=CCOC(=O)c1sccc1OC(F)F 729773469 PVTQWDMRSBDGLV-UHFFFAOYSA-N 234.223 2.692 30 20 BFED Fc1ccc([C@@H]2CCCC2=Nn2cnnc2)cc1 741160271 WJCMZQNNYZXAIN-LBPRGKRZSA-N 244.273 2.589 30 20 BFED CCCCCCCC(=O)N[C@H](C)CCN(C)C 744432919 DGYXIVOOWBJGCT-CYBMUJFWSA-N 242.407 2.803 30 20 BFED Cn1ccc(C=NNc2cc(F)cc(F)c2)c1 749859809 ZLPYSBMZMVASRK-UHFFFAOYSA-N 235.237 2.749 30 20 BFED C[C@@H]1CC/C(=C/C(=O)N2CCC[C@@](C)(C#N)C2)C1 753164043 NFQLNQFCYJIUJM-PQEBEJDBSA-N 246.354 2.885 30 20 BFED CC[C@@H](C)C=NNc1cc(Cl)nc(C)n1 755744292 ONXYBDOMRMSCQA-SSDOTTSWSA-N 226.711 2.882 30 20 BFED COc1cccc(C(C)=NO[C@@H]2CCCCO2)c1 755821972 JHSYSVPQIZRNOX-CQSZACIVSA-N 249.310 2.962 30 20 BFED CCC(=NNc1ccccc1F)c1ccn(C)n1 758103629 IQWIZXXVSFQSBZ-UHFFFAOYSA-N 246.289 2.785 30 20 BFED C#CCN(Cc1nc2c(s1)CCCC2)C1CC1 764678025 ZJMGQNZJRWRRLL-UHFFFAOYSA-N 246.379 2.620 30 20 BFED Cc1ccc(C=NOCC(F)(F)F)cc1 764836319 RYUBAPHUBKJRTK-UHFFFAOYSA-N 217.190 2.908 30 20 BFED Oc1cccc2c1CCC2=NOCC(F)(F)F 764844758 NHZATBUZAHFYQH-UHFFFAOYSA-N 245.200 2.621 30 20 BFED C#CCCCN(C)[C@@H]1C[C@H](OCC)C12CCC2 766905302 JPJQSQSLTKAOCY-KGLIPLIRSA-N 235.371 2.679 30 20 BFED C#CCC(C)(C)C(=O)Nc1nc(C)c(C)s1 767046678 SXVSYPYNQORAOQ-UHFFFAOYSA-N 236.340 2.748 30 20 BFED CCCCCN1C(=O)C(=NOC)c2ccccc21 767477443 CAHWHXSLULKXQG-UHFFFAOYSA-N 246.310 2.574 30 20 BFED Cc1cc(C=NNCC(F)(F)F)ccc1F 769824003 FMVWICHEVSFODE-UHFFFAOYSA-N 234.196 2.620 30 20 BFED Cc1cccc2c1C/C(=C/c1ccn(C)n1)C2=O 773153910 QEKQLJWBBWKJHB-FLIBITNWSA-N 238.290 2.551 30 20 BFED N#CC1(OC(=O)c2coc(C3CCC3)n2)CCC1 774136788 ZGNHPEVLLVYTPG-UHFFFAOYSA-N 246.266 2.545 30 20 BFED c1cc(=NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc[nH]1 779808817 ATAXDLDSZFHRBX-CABNGKKXSA-N 241.338 2.728 30 20 BFED CC1(C)CC[C@H](NCc2ccc(C#N)cn2)C1 783294404 PTEVTKOIGOKKGL-LBPRGKRZSA-N 229.327 2.622 30 20 BFED CC(C)(C#N)CCCOC(=O)[C@H]1CCSC1 784157792 NAHQWMGLLHSSMW-JTQLQIEISA-N 241.356 2.613 30 20 BFED C=CCCCCCOC(=O)C[C@](C)(O)C1CC1 784363427 AJJPCCUFTCDRTC-AWEZNQCLSA-N 240.343 2.827 30 20 BFED C=C[C@](C)(CC)C(=O)NCCC1CCC1 785411022 HMQSGSXZUBKGCQ-CYBMUJFWSA-N 209.333 2.895 30 20 BFED C=C[C@](C)(CC)C(=O)OCCCSC 785767950 JQASNEDKMMZYJK-LLVKDONJSA-N 216.346 2.885 30 20 BFED CC(=O)OCCCSCc1cccc(C#N)c1 788514720 YQISQYSVLLIRFX-UHFFFAOYSA-N 249.335 2.745 30 20 BFED CCCCCCCN1C[C@@H](C)S(=O)[C@H](C)C1 792389366 UMAKOYMAQIWZFW-CHWSQXEVSA-N 245.432 2.798 30 20 BFED CC[C@@H](C)CON=Cc1ccccc1C#N 793159085 KTTKROWCWUMXGT-LLVKDONJSA-N 216.284 2.955 30 20 BFED C[C@@H]1COCCC1=NNc1cc(Cl)ccn1 794527363 YQKWQVLNLHUMAA-MRVPVSSYSA-N 239.706 2.559 30 20 BFED COCCCON=C1CCOc2c(C)cccc21 795047845 AGKGCXDPLIRGQV-UHFFFAOYSA-N 249.310 2.535 30 20 BFED C#CCCOC(=O)Cc1coc2ccccc12 796857277 SBVIBBFWNSDPFO-UHFFFAOYSA-N 228.247 2.542 30 20 BFED C=CCOCCOC(=O)/C=C(\C)c1ccccc1 797296311 DZOMLHKCPYHDIJ-OUKQBFOZSA-N 246.306 2.836 30 20 BFED C=CC[C@H](CC)NC(=O)NOCc1ccccc1 798404275 OLTCGTNNMCNOQZ-ZDUSSCGKSA-N 248.326 2.772 30 20 BFED CC(C)C[C@H](C)COC(=O)c1ccc(C#N)[nH]1 798660266 FYJQKWGKQIHRBJ-JTQLQIEISA-N 234.299 2.725 30 20 BFED CC(C)C[C@H](C)C=NOC1CCOCC1 799113956 YYAPEBZZPOBESF-NSHDSACASA-N 213.321 2.850 30 20 BFED CSC1(C=NN=C(C)c2cnccn2)CCC1 800814047 OPFCONSVAHNZAC-UHFFFAOYSA-N 248.355 2.557 30 20 BFED 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30 20 BFED C=CCCCCOC(=O)/C=C(/C)c1cnccn1 838232960 XSSWQIIRUHZUEL-BENRWUELSA-N 246.310 2.779 30 20 BFED C=CCNC(=S)N[C@H](CC)C1CCCC1 840817348 BGXICPRARATIBI-LLVKDONJSA-N 226.389 2.605 30 20 BFED CCN(CCO)N=CC1CCC(C(C)C)CC1 842538759 UWFLCYZZKFTWAV-UHFFFAOYSA-N 240.391 2.749 30 20 BFED C[C@@H](CO)N(C)N=C1CCC(C(C)(C)C)CC1 842545946 ZPSAVOLSYLGYCQ-PXYINDEMSA-N 240.391 2.891 30 20 BFED C=C(C)CON=C(C)c1ccc(O)cc1F 844618013 WXPOMJVUMHQDKH-UHFFFAOYSA-N 223.247 2.848 30 20 BFED C=C[C@H](C)ONC(=O)[C@@H]1CCCc2ccccc21 846544237 PNWTXCCJVSIJCD-SMDDNHRTSA-N 245.322 2.729 30 20 BFED CC(C)(C#N)COC(=O)c1ccc(CF)cc1 850935945 SCKPNVRWHFFTPQ-UHFFFAOYSA-N 235.258 2.863 30 20 BFED C#C[C@@H](C)N(C)CCc1nsc2ccccc12 851989441 IEFJEEXRGXEJIG-LLVKDONJSA-N 244.363 2.792 30 20 BFED C#C[C@](C)(CC)NC(=O)/C(C)=C(\C)CC 854700541 UQYNONZRMQQBGT-OCHBPSSRSA-N 207.317 2.651 30 20 BFED C=CCCC(=O)OCc1cc(COC)cs1 857044451 MRZMKAZGBIBXNE-UHFFFAOYSA-N 240.324 2.904 30 20 BFED CC1=CC(=NNc2ncc(Cl)cn2)CC1 857221443 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233.296 2.568 30 20 BFED CC1CC(CNC(=O)CC#Cc2ccccc2)C1 1118788938 SOGZQWYUEISWDH-UHFFFAOYSA-N 241.334 2.591 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)CCC1(C)CC1 1119744848 KJGZUPDHQXXGEB-NSHDSACASA-N 222.332 2.575 30 20 BFED C=CCC[C@H]1CCCN1C(=O)c1conc1C 1120813491 FIFOULAHEKGLCR-NSHDSACASA-N 234.299 2.554 30 20 BFED C#C[C@@H](CC)NC(=O)N1CCC[C@@H]1CCC=C 1121997166 ANFWHGREZQJPIU-STQMWFEESA-N 234.343 2.538 30 20 BFED CN(Cc1ccccn1)[C@H](C#N)c1ccccc1 1170604297 IYINIUFWQBZZDD-OAHLLOKOSA-N 237.306 2.778 30 20 BFED CC(C)(C)[C@H]1CCN1C(=O)NCC1(C#N)CCC1 1263730221 RKVMREKNXCCIFM-LLVKDONJSA-N 249.358 2.510 30 20 BFED CC(C)(C)ON=C1COc2ccc(F)cc21 1319578085 SEUKZKKGERLCNU-UHFFFAOYSA-N 223.247 2.737 30 20 BFED C=C[C@@H](COC)N[C@H](C)c1cc(C)ccc1O 1320428144 STPKHSYDMSFEAV-NEPJUHHUSA-N 235.327 2.552 30 20 BFED C=C[C@H](COC)N[C@@H](C)CCc1ccc(O)cc1 1320439937 VDQTWPZWFNXDOM-GXTWGEPZSA-N 249.354 2.504 30 20 BFED C=CCN(CC=C)C(=O)C1(C(C)(F)F)CC1 1331310004 MOGTUQIBJZKQBM-UHFFFAOYSA-N 229.270 2.622 30 20 BFED 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CFGGQROIBOTEKY-UHFFFAOYSA-N 232.327 2.797 30 20 BFED C=CCC[C@@H](C)NCc1ccc(OC)nc1 126745732 PSZLFRUTTVSKMP-LLVKDONJSA-N 220.316 2.535 30 20 BFED CC[C@](C)(C#N)C(=O)NC[C@@H](C)c1ccccc1 131257469 QTSQPAFCVBETCK-IUODEOHRSA-N 244.338 2.846 30 20 BFED C=CCN(CC=C)C(=O)N[C@H]1CCC[C@H]1CC 132300555 GGSHUYHQHRJKSD-OLZOCXBDSA-N 236.359 2.949 30 20 BFED C=CCCC[C@@H](C)NCc1cccn1C 133574738 BMJTYFJSQDDZBE-GFCCVEGCSA-N 206.333 2.860 30 20 BFED C=C(Cl)CNC(=O)c1nccc2ccccc12 134808064 OLKCRINSDHRCTN-UHFFFAOYSA-N 246.697 2.717 30 20 BFED C[C@H](N[C@H](C)[C@@H]1CCOC1)c1ccc(C#N)cc1 135281586 IYPZOQJEQXFCRJ-YWPYICTPSA-N 244.338 2.634 30 20 BFED C=CCN(C)C(=O)NCc1cc2ccccc2o1 153951720 GDGRGMFHRRPJIX-UHFFFAOYSA-N 244.294 2.760 30 20 BFED Cc1noc(-c2ccc(C#N)c(Cl)c2)n1 162544874 LBVQOZAIWSQRLQ-UHFFFAOYSA-N 219.631 2.570 30 20 BFED C#CCCCN[C@@H](C)c1cc(C)oc1C 163072535 UPJIYYLYBVJDMM-NSHDSACASA-N 205.301 2.960 30 20 BFED C=CCSCCNCc1cccc(F)c1F 163938804 IAJSLBJZNKEZJP-UHFFFAOYSA-N 243.322 2.974 30 20 BFED 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C=C(C)CONC(=O)Nc1ccc(F)c(C)c1 844530580 JCEWAOCIYITASN-UHFFFAOYSA-N 238.262 2.763 30 20 BFED Cc1ccc(C=NNCC(F)F)c(Cl)c1 844585701 QZSRCVVUMVOBDN-UHFFFAOYSA-N 232.661 2.837 30 20 BFED C=C(C)CONC(=O)NCc1ccccc1CC 845597365 FKWDLYRUYJBUIO-UHFFFAOYSA-N 248.326 2.556 30 20 BFED C=C(C)CONC(=O)NC1(CC)CCCC1 845611573 WKXSTYWXBFBEQC-UHFFFAOYSA-N 226.320 2.516 30 20 BFED C=CCCCCCCNC(=N)N(C)C1CC1 849027522 FWXUVIRIWXXVJS-UHFFFAOYSA-N 223.364 2.741 30 20 BFED N#CC1(CC(=O)OC2(C#N)CCC2)CCCCC1 850880940 FBUHHOGQVLMATF-UHFFFAOYSA-N 246.310 2.840 30 20 BFED C=C[C@@](C)(CC)COC(=O)c1ncccc1F 850977583 ZIXVGOFVGFBPSS-ZDUSSCGKSA-N 237.274 2.980 30 20 BFED CS[C@@H](C)CC(=O)O[C@@H](C)CC(C)(C)C#N 851207930 KAABLPYTBNLUNT-UWVGGRQHSA-N 243.372 3.000 30 20 BFED C#CCON=C[C@H]1CCC[C@H](C(F)(F)F)C1 853348000 WSYYFCWCUFZEAW-UWVGGRQHSA-N 233.233 2.991 30 20 BFED CC[C@H](C)CON=Cc1ccnn1CC1CC1 853349590 BZUZVLDLBKHKAS-NSHDSACASA-N 235.331 2.690 30 20 BFED CC(=NOCC1CCC1)c1ccncc1 853439501 JEERYSJRNRDCET-UHFFFAOYSA-N 204.273 2.622 30 20 BFED C#Cc1cccc(NC(=O)N[C@@]2(C)CC2(C)C)c1 854263000 QYMOMMXMGWZIHA-HNNXBMFYSA-N 242.322 2.978 30 20 BFED C#CC[C@H](CCOC)N[C@@H]1CCCC(C)(C)C1 862547613 KTDZPIIDYDTEHN-ZIAGYGMSSA-N 237.387 2.973 30 20 BFED Cc1cc(=NN=C2CCC[C@@H]2CCF)cc[nH]1 863159344 MSFHOLGSNZSCPK-LLVKDONJSA-N 235.306 2.740 30 20 BFED C=C1CCN(C(=O)NC2CC3(CCC3)C2)CC1 864253264 QDVABDAVOXXKST-UHFFFAOYSA-N 234.343 2.681 30 20 BFED Cc1cc(C)c(/C=C/C=NN[C@H](C)CO)c(C)c1 872355973 VJOWVFCYYVLLLZ-XQJDFGQXSA-N 246.354 2.581 30 20 BFED N#C[C@H](OC(=O)C1CCC=CCC1)C1CC1 873507801 DYLIAXBRLUTRKZ-LBPRGKRZSA-N 219.284 2.578 30 20 BFED C#CCCCCNCc1cccc(Cl)c1N 877087409 LDPQSDCZPYIKEP-UHFFFAOYSA-N 236.746 2.815 30 20 BFED C=CC(C)(C)CC(=O)Nc1ccc(N(C)C)nc1 878046923 MGXQLWIZEAHUAM-UHFFFAOYSA-N 247.342 2.688 30 20 BFED C=CC(C)(C)CC(=O)N(C)CC1=CCSC1 880767053 XEIVWJBFCMYUEZ-UHFFFAOYSA-N 239.384 2.720 30 20 BFED C=CCCO[C@H](C)C(=O)Nc1ccc(CC)cn1 882718575 JKYGCUNTVYKULO-LLVKDONJSA-N 248.326 2.564 30 20 BFED CCC#CCOC(=O)[C@]1(C)CC=CCC1 893843339 KZRUUZVPQCPPCT-CYBMUJFWSA-N 206.285 2.689 30 20 BFED N#Cc1cnc(NC(=O)C[C@@H]2C=CCCC2)s1 896485917 AMZHXSNNMXMAAG-SECBINFHSA-N 247.323 2.700 30 20 BFED Cc1c(-c2ccc(Cl)cc2)nnn1CCC#N 899888159 IIWAACHACDSDEI-UHFFFAOYSA-N 246.701 2.821 30 20 BFED C1=C[C@@H]2C[C@H]1C[C@@H]2CON=C1CCCOCC1 902324031 KEKGNSUSGRDKQN-YNEHKIRRSA-N 235.327 2.772 30 20 BFED Cc1nonc1CSCc1cccc(C#N)c1 902531452 SJCWWUDSORWXTA-UHFFFAOYSA-N 245.307 2.683 30 20 BFED C=C[C@@H]1CCCCN1Cc1cc(C(=O)O)c(C)o1 902544839 KCCGBVYDPHHIHG-LLVKDONJSA-N 249.310 2.827 30 20 BFED O=C([C@H]1CC12CCC2)N(O)Cc1ccc(F)cc1 904174133 UHWBYUWBCNKPOL-GFCCVEGCSA-N 249.285 2.734 30 20 BFED CCCCCCNC(=O)c1ccsc1C#N 905770956 PDDNCKAURHLCQM-UHFFFAOYSA-N 236.340 2.930 30 20 BFED C=CCCNC(=O)c1ccc(C(C)=O)c(C)c1 912379359 PUZALYLQUSEPFY-UHFFFAOYSA-N 231.295 2.504 30 20 BFED CC(=NOCc1ccccc1)c1cn(C)nc1C 917543550 REPHCBXAEKECSX-UHFFFAOYSA-N 243.310 2.669 30 20 BFED C=CCOC(=O)c1ccc(CCC)cc1 920685813 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213.365 2.872 30 20 BFED CC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)C1 134989371 PKUCOKHZXRKZIJ-JTQLQIEISA-N 245.282 2.703 30 20 BFED N#Cc1c(F)cccc1NCC1(CO)CCCC1 135104893 WHBPMNZBEZHIJP-UHFFFAOYSA-N 248.301 2.662 30 20 BFED CN(Cc1cccc(F)c1)c1cnccc1C#N 135590421 SIEZXGKWFGIQLE-UHFFFAOYSA-N 241.269 2.729 30 20 BFED C=C(C)CN(CC)[C@@H](C)c1nc(CC)no1 152519404 GCCHHBWWZOKFPA-JTQLQIEISA-N 223.320 2.591 30 20 BFED C=C(C)CNCc1ccc(OCC)cc1 153379689 KVEMXROJNYVRKP-UHFFFAOYSA-N 205.301 2.751 30 20 BFED CN(Cc1cccc(C#N)c1)C(=O)C=C1CCC1 154434691 QKJREHXBYIHNPP-UHFFFAOYSA-N 240.306 2.627 30 20 BFED C=C(C)CNC(=O)N1CCC[C@H]2CCC[C@H]21 156254820 VAMZBWJDQIDHJA-VXGBXAGGSA-N 222.332 2.537 30 20 BFED C=CCN(C(=O)[C@H]1CCCCO1)c1ccccc1 160762989 FXRUGKDVXSQIDL-CQSZACIVSA-N 245.322 2.775 30 20 BFED C=CCN(C)C(=O)c1coc2ccccc12 161390375 PUJXVPVUJBHEFT-UHFFFAOYSA-N 215.252 2.691 30 20 BFED C[C@H](C#N)CN[C@H](C)CCCC(F)(F)F 166673719 GVGCDABQXJNUBU-RKDXNWHRSA-N 222.254 2.857 30 20 BFED CCCC[C@H](CC)CC(=O)NC[C@H](C)C#N 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CC[C@@H]1CCC[C@H](Nc2nccc(C#N)n2)C1 231902663 VAPANFVVQGMMEK-MNOVXSKESA-N 230.315 2.729 30 20 BFED C#C[C@@H](CCC)NC(=O)Nc1ccc(C)cc1 233293374 PMOFMAUMBIMVBF-LBPRGKRZSA-N 230.311 2.918 30 20 BFED C=CCCC[C@H](C)N[C@@H](C)[C@H]1CCOC1 245834437 CDSKWUWGMIESOT-AVGNSLFASA-N 211.349 2.746 30 20 BFED C=C[C@](C)(CC)C(=O)N1C[C@@H]2CCC[C@H]2C1 248862031 AEATXPHMUOZGGK-SGMGOOAPSA-N 221.344 2.847 30 20 BFED C[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)C[C@H]1C 267810373 VNPNKVNIGBGCBA-GHMZBOCLSA-N 243.310 2.678 30 20 BFED C=CCC[C@@H](O)CN1c2ccccc2OC[C@H]1C 268580672 SXZNCHHBBJUDOZ-CHWSQXEVSA-N 247.338 2.601 30 20 BFED CCC(CC)CN(CCC#N)c1nccc(C)n1 269933381 DMBDUDUSPORGLE-UHFFFAOYSA-N 246.358 2.941 30 20 BFED CC1(C#N)CCN(c2ncccc2Cl)CC1 272474343 NNAYCFUKDDMVJR-UHFFFAOYSA-N 235.718 2.865 30 20 BFED CCCCN(C(=O)c1cc(C#N)oc1C)C1CC1 280555047 JQODVOOPBPOPCK-UHFFFAOYSA-N 246.310 2.864 30 20 BFED C=CC[C@H](CC)NC(=O)c1cccc(COC)c1 281288954 IGOZFZZHIZWRDA-AWEZNQCLSA-N 247.338 2.918 30 20 BFED 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C=CCN(Cc1nc2ccccc2n1C)C1CC1 271482288 SRNOQJNNCREDBS-UHFFFAOYSA-N 241.338 2.724 30 20 BFED CC[C@@H]1[C@H](C)CCN1c1nccc(C)c1C#N 274776347 VLDLTOCTKZFMSR-DGCLKSJQSA-N 229.327 2.887 30 20 BFED C=CCCCCNC(=O)NCC1(SC)CC1 280142133 WSFBPSFSEQMGGF-UHFFFAOYSA-N 242.388 2.538 30 20 BFED CO[C@@H]1CCN(Cc2ccccc2C#N)[C@H](C)C1 281752492 REJCNEXJLUQMET-IUODEOHRSA-N 244.338 2.558 30 20 BFED CC(C)[C@H]1CN(c2ccnc(C#N)c2)CCS1 283787140 RIQQKKHNGSKCDV-CYBMUJFWSA-N 247.367 2.531 30 20 BFED C#C[C@@H](NC(=O)[C@@H]1CC=CC[C@H]1C)C(C)(C)C 288466212 ZYSULCOPYINORC-JHJVBQTASA-N 233.355 2.753 30 20 BFED C#Cc1ccc(CNC[C@H]2CCO[C@@H](C)C2)cc1 290338627 KXNQAEOZIDMMLJ-BBRMVZONSA-N 243.350 2.573 30 20 BFED C=CC(C)(C)C(=O)Nc1cnn(CC(C)C)c1 295101137 XHCOLUHXWHMYIA-UHFFFAOYSA-N 235.331 2.690 30 20 BFED CN(C(=O)CC#N)[C@H]1CCC[C@H]1c1ccccc1 297345518 UHPTYHBPXYJPSW-KBPBESRZSA-N 242.322 2.695 30 20 BFED C[C@H](Nc1ccc(C#N)nc1)c1cccc(C#N)c1 301582992 VGCKYBLDZPXOHB-NSHDSACASA-N 248.289 2.998 30 20 BFED 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MAGXWCXMJGUUSG-STQMWFEESA-N 237.391 2.613 30 20 BFED C=CCCC(=O)N1CCC[C@H](OCCC)CC1 108221583 MPBSMLYNSPHLNM-ZDUSSCGKSA-N 239.359 2.760 30 20 BFED C[C@H](CC(=O)N(C)C1(C#N)CCC1)C(C)(C)C 108786335 GBKBNJDPLDSXGB-LLVKDONJSA-N 236.359 2.963 30 20 BFED C[C@H]1CCN(c2c(F)cc(C#N)cc2F)C1 112013381 ZUWSHYWEYVKBPF-QMMMGPOBSA-N 222.238 2.683 30 20 BFED CCCCCCCCN1CC[C@H](CNC)C1 112706149 CXUKYJPNTVCBSP-CQSZACIVSA-N 226.408 2.888 30 20 BFED CCCC[C@H](CC)CC(=O)N[C@@H](C)C#N 117244765 YLJWVAZCWBWVGF-QWRGUYRKSA-N 210.321 2.621 30 20 BFED C#CCCCCC(=O)Nc1c(C)noc1CC 120338620 VNXQKLFKRYRTBI-UHFFFAOYSA-N 234.299 2.678 30 20 BFED C=CC[C@@H](C)NC(=O)Nc1ccc2c(c1)COC2 123705122 QBAMHAZWFZHXCE-SNVBAGLBSA-N 246.310 2.803 30 20 BFED C=CCSCCNC1Cc2ccccc2C1 129344701 DTEFCLFATMQIPE-UHFFFAOYSA-N 233.380 2.663 30 20 BFED N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2)[nH]1 130140037 MIGXYDVUACIEMF-UHFFFAOYSA-N 245.669 2.792 30 20 BFED Cc1cncc(C/N=C/c2ccccc2O)c1 130529285 QMWLKVUAWRULNM-MHWRWJLKSA-N 226.279 2.715 30 20 BFED C=C(Cl)CNC(=O)/C=C/c1ccccc1F 135352487 ZEDHAXNETNQZSW-VOTSOKGWSA-N 239.677 2.708 30 20 BFED C#CCCCCNC(=O)C[C@@H]1CC[C@H](C)C1 150772158 HGVNDFNKVMKNHZ-QWHCGFSZSA-N 221.344 2.732 30 20 BFED C/C=C(\C)C(=O)N(CC)c1ccc(C#N)cc1 151841586 IAMORUJTSMJRNW-NYYWCZLTSA-N 228.295 2.877 30 20 BFED C=C[C@H](C)NC(=O)CCCOc1ccc(C)cc1 154005647 VUFHGTQLWQGUFI-ZDUSSCGKSA-N 247.338 2.845 30 20 BFED CC[C@@H](C)c1cc(C(=O)N(C)[C@@H](C)CC#N)on1 163846714 BMXJDGWIXSMWEY-ZJUUUORDSA-N 249.314 2.562 30 20 BFED C=CCCN1CCN(Cc2cccc(F)c2)CC1 164399223 UZLOOXIYDQJSDR-UHFFFAOYSA-N 248.345 2.519 30 20 BFED CCCc1ccccc1NC(=O)NC[C@H](C)C#N 176344732 OHGVDARISRZBEQ-LLVKDONJSA-N 245.326 2.920 30 20 BFED C=CCOC(=O)[C@H](CC)Oc1cccc(C)c1 176718059 VDTQURCPCHBKOJ-ZDUSSCGKSA-N 234.295 2.882 30 20 BFED N#Cc1ccccc1SCC[C@H]1CCOC1=O 177589236 QFAPFCOIEFKWCH-SNVBAGLBSA-N 247.319 2.604 30 20 BFED C=C(C)CS[C@@H](C)C(=O)NCCCC 177870915 YDPBLZISJNEGBF-JTQLQIEISA-N 215.362 2.601 30 20 BFED C[C@H]1CSCCN1Cc1ccc(C#N)s1 179664780 XSMRGLORPFJBKH-VIFPVBQESA-N 238.381 2.557 30 20 BFED C=C(C)CN(C)C(=O)[C@@H](C)c1ccccc1F 180422357 XHWQFNUJEVQXBF-NSHDSACASA-N 235.302 2.964 30 20 BFED C=C(C)CN(C)C(=O)N[C@@H](C)[C@@H](C)CC 180773390 TVVNHLISOJHNMS-QWRGUYRKSA-N 212.337 2.639 30 20 BFED C=CCCC[C@@H](C)NC(=O)NC1(C)CCC1 181103371 BZJUGWSFMFTNPF-LLVKDONJSA-N 224.348 2.973 30 20 BFED C#CCC(C)(C)C(=O)N1C[C@H]2CCCC[C@H]2C1 185789866 UWYMSUSMWHKCCW-BETUJISGSA-N 233.355 2.685 30 20 BFED CC[C@@H](NCC#N)c1nc(C(F)(F)F)cs1 185946863 UNIPPZUCWCTRFN-ZCFIWIBFSA-N 249.261 2.726 30 20 BFED C=CCN(C)C(=O)Nc1ccc2scnc2c1 188815395 JBDYIOFQDXXEBX-UHFFFAOYSA-N 247.323 2.946 30 20 BFED C#CCCCC(=O)N1CCCc2cc(F)ccc21 192167636 NEFPXHBQYHZBNM-UHFFFAOYSA-N 245.297 2.908 30 20 BFED C#CCCCNC(=O)c1ccc(C)cc1Cl 192367689 UBIQSLXJHDOOME-UHFFFAOYSA-N 235.714 2.792 30 20 BFED COc1cccc(CNCCCCC#N)c1F 192679150 SQYWJZYFTPOMOA-UHFFFAOYSA-N 236.290 2.618 30 20 BFED C=CCCCCCN1CCN(C(C)C)CC1 193300176 RUHQWVSJNACVDR-UHFFFAOYSA-N 224.392 2.759 30 20 BFED C=Cn1cc(CNc2ccc(F)c(C#N)c2)cn1 194352597 YZSUWQQERRACGI-UHFFFAOYSA-N 242.257 2.606 30 20 BFED N#Cc1cccc(NC[C@@H]2CCSC2)c1 224286046 ICDBPWCTGNGZQA-NSHDSACASA-N 218.325 2.723 30 20 BFED C#C[C@H](CC)NCc1ccc(F)cc1C 229887588 MRXIQVZYZOROJL-CYBMUJFWSA-N 205.276 2.636 30 20 BFED C#C[C@@H](CCC)NC(=O)c1ccc2c(c1)CCC2 233293267 YOKCHTPOVWAPQE-HNNXBMFYSA-N 241.334 2.707 30 20 BFED C[C@@H](CNc1cccnc1C#N)c1nccs1 235115534 ZSIFIDYGRGIOIK-VIFPVBQESA-N 244.323 2.625 30 20 BFED C=CCCC(=O)Nc1ccc(N2CCCC2)cn1 264006192 SYIVRQWAEJGGQA-UHFFFAOYSA-N 245.326 2.587 30 20 BFED C#CC(C)(C)NC(=O)C[C@@H](C=C)c1ccccc1 270464173 XLZUZOWFMRYQGY-CYBMUJFWSA-N 241.334 2.874 30 20 BFED C=C(C)CN[C@@H](CCOC)c1ccco1 273247159 IMTJESQXQPNKSS-NSHDSACASA-N 209.289 2.523 30 20 BFED C=CCCN(C)C(=O)NCc1ccc(C)s1 276024871 CPGCISSSZTYLIK-UHFFFAOYSA-N 238.356 2.774 30 20 BFED C=CCC[C@H](C)NC[C@@H](O)c1ccc(F)cc1 278590808 YWRGKEHAQHSIGE-SMDDNHRTSA-N 237.318 2.803 30 20 BFED C#C[C@H](Nc1ccc(C(F)(F)F)nn1)C(C)C 282000469 WHJZTTAWTMSHII-QMMMGPOBSA-N 243.232 2.565 30 20 BFED C[C@H]1C[C@H](c2ccccc2)N(CC#N)C1 285550212 GKJNBQXZABYKOV-WCQYABFASA-N 200.285 2.593 30 20 BFED C=CCCCCCCNC(=O)c1ccon1 286922289 GHZDPJJTNSLZFU-UHFFFAOYSA-N 222.288 2.541 30 20 BFED CC(C)[C@@H]1C[C@@H](Nc2cccnc2C#N)CCO1 290916311 HNDDEWXHBMWNRP-FZMZJTMJSA-N 245.326 2.569 30 20 BFED CC[C@@H](C)C[C@H](C)Nc1ccc(C#N)nn1 301967368 LHXVOGGRNQFBFV-ZJUUUORDSA-N 218.304 2.585 30 20 BFED C[C@@H]1CCC[C@@H](CO)N1CCCC(C)(C)C#N 305242064 BYCFUSIWPVGMLD-OLZOCXBDSA-N 238.375 2.552 30 20 BFED CCc1nc(C#N)cc(N[C@H](CC)C2CC2)n1 308181256 RMBXRSUICQGOQV-LLVKDONJSA-N 230.315 2.511 30 20 BFED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1ccon1 308814847 AIQQSIKVQQQBSE-HBNTYKKESA-N 208.305 2.926 30 20 BFED C=CCCCCCCN[C@H]1CCC[C@@H](N)C1 309240765 WQJVNBPIZAAZAR-KGLIPLIRSA-N 224.392 2.982 30 20 BFED C=CCC[C@H](C)N[C@H]1CCCC[C@@H]1N(C)C 309568988 NAYILWYKYYZMSL-IHRRRGAJSA-N 224.392 2.804 30 20 BFED C#CCCCNc1ccnc(C(C)(C)C)n1 309700683 SQQPVKXVBDSGOU-UHFFFAOYSA-N 217.316 2.599 30 20 BFED C=CCC[C@@H](CO)Nc1ccnc(C)c1Cl 320135680 AMJBVRWXHVKUTL-JTQLQIEISA-N 240.734 2.782 30 20 BFED N#C[C@H](NC(=O)C1=CCC1)c1ccccc1Cl 334530365 HWZFCCBVDYIFNH-LBPRGKRZSA-N 246.697 2.741 30 20 BFED CC(C)(C#N)CC(=O)Nc1ccc(F)cc1C#N 334581241 IRBDAZRTXFFHMG-UHFFFAOYSA-N 245.257 2.576 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](C)n2ccnc21 335495464 JLPMKDRIQSTWQA-MNOVXSKESA-N 247.342 2.607 30 20 BFED CC(C)CC1(C(=O)N2CCC(C#N)CC2)CC1 335716214 KUKBDPJWWSAHPA-UHFFFAOYSA-N 234.343 2.575 30 20 BFED C=C(C)CNC(=O)N[C@H]1CSc2ccccc21 335878347 KFJGRZQWFKCLHG-NSHDSACASA-N 248.351 2.709 30 20 BFED Cc1ccc([C@@H]2CCCN2C(=O)[C@H](C)C#N)cc1 335992912 HLPPRDJLXJUAIP-OCCSQVGLSA-N 242.322 2.818 30 20 BFED C=CCN(C)C(=O)c1c(C)cccc1Cl 336262388 DKYWBLDMPDICNW-UHFFFAOYSA-N 223.703 2.906 30 20 BFED CC[C@](C)(C#N)C(=O)N1CC2(CCC2)C[C@@H]1C 336376200 CNNLVLFFMVGAMY-WCQYABFASA-N 234.343 2.717 30 20 BFED C=C(CC)Cn1cncc(-c2ccccc2)c1=O 337918585 VICXCJSJGJCXRF-UHFFFAOYSA-N 240.306 2.877 30 20 BFED CCc1cnccc1[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 339081343 MFQMHLDCHNHYOF-OUCADQQQSA-N 243.354 2.987 30 20 BFED C=CCCOCCCCC(=O)N[C@H](C)CC 342633827 PVVUTYZCLYUYGV-GFCCVEGCSA-N 227.348 2.664 30 20 BFED C=C(C)COCCNCCCc1cnccc1C 348091809 MKHXIVDXWCEYOV-UHFFFAOYSA-N 248.370 2.505 30 20 BFED CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)CC#N 355385029 VSGJSAHLBDXWHH-TUAOUCFPSA-N 222.332 2.621 30 20 BFED C=C(CC)CN1CCC[C@@H]1CN1CCCCC1 358493214 AWNOYWZJNWEOEN-OAHLLOKOSA-N 236.403 2.903 30 20 BFED C=CCOc1ccccc1-c1ccnn1C 358595746 LFHRODPZGUSRTO-UHFFFAOYSA-N 214.268 2.652 30 20 BFED COc1ccc(F)cc1CNCC1(CC#N)CC1 361137333 XBIORBNKSPVTBF-UHFFFAOYSA-N 248.301 2.618 30 20 BFED C=C(C)CN(C)C(=O)N[C@@H](C)CC(F)(F)F 362110954 FCBDRCXQPHQWME-QMMMGPOBSA-N 238.253 2.545 30 20 BFED N#Cc1cnc(N2[C@H]3C=CC[C@H]2CC3)c(Cl)c1 362134437 FBHYQNGJYKLMGS-QWRGUYRKSA-N 245.713 2.904 30 20 BFED C=CCN(C(=O)[C@@H]1CCCCCC(=O)C1)C1CC1 362982569 NHMBUZSCRCGVPW-GFCCVEGCSA-N 249.354 2.703 30 20 BFED C=C(Cl)CN1CCCC[C@@H]1c1noc(C)n1 369003746 PQCFBSOPHFABJN-SNVBAGLBSA-N 241.722 2.658 30 20 BFED C=C(Cl)COC(=O)c1c(C)ccc(F)c1N 381347003 ZIKSQFYLYOIKFH-UHFFFAOYSA-N 243.665 2.626 30 20 BFED CC(C)CCC(=O)N1CCC[C@H](CC#N)C1 397641253 QZISTLGXNKTJNC-GFCCVEGCSA-N 222.332 2.575 30 20 BFED CCC[C@@H](C#N)N(C)C(=O)CC(C)(C)CC 410824413 CRXGNAMKOBUZKL-NSHDSACASA-N 224.348 2.963 30 20 BFED CCCC[C@H](C)C(=O)N(C)[C@H](C#N)CCC 410831848 AZNJAIKRJBHOIG-RYUDHWBXSA-N 224.348 2.963 30 20 BFED N#Cc1ccc(CSC[C@H]2C[C@@H](O)C2)cc1 421221897 WLTFOAUGDUKSAZ-BETUJISGSA-N 233.336 2.562 30 20 BFED CC#CCNC(=O)Nc1cccc(SC)c1C 443597354 ZBFLCVRYXRAOCZ-UHFFFAOYSA-N 248.351 2.862 30 20 BFED CCCC[C@H](CC)CNC(=O)[C@@]1(C#N)C[C@@H]1C 448651349 PFDXJRKFOMQNSE-SGMGOOAPSA-N 236.359 2.869 30 20 BFED C=CCC1(C(=O)Nc2ccnn2C)CCCCC1 448843383 DSQMZGGTDAALRR-UHFFFAOYSA-N 247.342 2.885 30 20 BFED C=CCCOCCNC(=O)[C@H](CC)CC(C)C 450250420 JXCHQNVEPLGVBL-CYBMUJFWSA-N 241.375 2.768 30 20 BFED Cc1ccc([C@@H](C)NCC2(C#N)CCC2)o1 450725778 SIPXADZUCBGNLL-LLVKDONJSA-N 218.300 2.933 30 20 BFED C=C[C@@H]1OCCC[C@H]1Nc1cccc(F)c1C#N 450803141 JTFWPOKCADQNKP-KGLIPLIRSA-N 246.285 2.843 30 20 BFED C=C(C)CCNC(=O)Cc1ccc(CC)cc1 452717277 KSMYGSYUCWKFIT-UHFFFAOYSA-N 231.339 2.874 30 20 BFED C[C@H](CC(C)(C)C)NC(=O)CCCC#N 457190343 IZEZWUJHOMOBDP-SNVBAGLBSA-N 210.321 2.621 30 20 BFED CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc(CC#N)cc1 458112144 JNLUULHYVDUOJY-UONOGXRCSA-N 242.322 2.527 30 20 BFED CCC[C@H](NC[C@H](C#N)CCC#N)C1CCC1 459807013 QRRBWJRJDSZLOL-JSGCOSHPSA-N 233.359 2.988 30 20 BFED C=C[C@H](C)NC(=O)N1CC[C@H](CC(C)C)C1 464759461 YRZXMVAKXXDXEW-NWDGAFQWSA-N 224.348 2.639 30 20 BFED CO[C@@H]1CCCC[C@H]1N[C@@H]1CCC[C@H](C#N)C1 494525798 GVUOPBRCZDCOCQ-REWJHTLYSA-N 236.359 2.616 30 20 BFED C=CCCCCN[C@@H](CO)C1CCCCC1 517855156 AVTYPWAPKBPSGO-AWEZNQCLSA-N 225.376 2.874 30 20 BFED CCOCCSc1ccc(C#N)c(C)c1 570569433 TUPGFNAVSYSKCI-UHFFFAOYSA-N 221.325 2.995 30 20 BFED Cc1nn(Cc2ccc3ncccc3c2)cc1C#N 581165424 BFYQMTUHZJCTFY-UHFFFAOYSA-N 248.289 2.660 30 20 BFED Cc1cc(Cl)ccc1C(=O)NCC1(C#N)CC1 581526639 XHEIJGIZKZRFIU-UHFFFAOYSA-N 248.713 2.682 30 20 BFED CCn1ccc(CN(C)[C@H]2CC[C@H](C#N)C2)c1 590177173 UYNUVPXSUIXLKG-JSGCOSHPSA-N 231.343 2.632 30 20 BFED CC[C@H](C#N)C(=O)NC[C@H](C)c1ccc(F)cc1 593420138 CZIMEHHUBMYILA-WDEREUQCSA-N 248.301 2.595 30 20 BFED CC[C@H](C#N)N(C)C(=O)c1ccc2c(c1)CCC2 594096808 AYUOBICBOIHRIZ-CQSZACIVSA-N 242.322 2.549 30 20 BFED N#Cc1ccc(CN[C@]23CCC[C@@H]2C3)s1 594954358 YXWMSHIYZATLIH-SKDRFNHKSA-N 218.325 2.652 30 20 BFED C=CC[C@H](C)NC(=O)NCC1(SCC)CC1 595509452 UNCNCZBGLITZDF-JTQLQIEISA-N 242.388 2.536 30 20 BFED C=CC[C@@H]1CCCN(C(=O)CSC2CC2)C1 597993757 CBECPAPVWXLJTJ-LLVKDONJSA-N 239.384 2.697 30 20 BFED N#C[C@@]1(C(=O)NCC2=CCCC2)CC12CCCC2 598377491 VXFMVGPWAMZEOP-OAHLLOKOSA-N 244.338 2.687 30 20 BFED CC[C@H](C#N)NC(=O)C/C=C\Cc1ccccc1 602089536 VHCURQMNRQSPHW-LMVHVUTASA-N 242.322 2.594 30 20 BFED C[C@H](CCC#N)CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 602676189 MDAXQTDNIVMGGE-FQKPHLNHSA-N 232.371 2.904 30 20 BFED CCc1cccc(OCCN[C@H](C)CC#N)c1 602860405 BKROBJDBZKJQEY-GFCCVEGCSA-N 232.327 2.520 30 20 BFED C=CC[C@H](C)NC(=O)c1cnc2ccsc2c1 607909743 MBBYKWRBSUCNRW-VIFPVBQESA-N 246.335 2.991 30 20 BFED C=CC(C)(C)CNC(=O)[C@@H]1C[C@H]1OC(C)(C)C 615832498 ZJAOISKMDHCUHR-GHMZBOCLSA-N 239.359 2.518 30 20 BFED C=CCCNC(=O)c1ccc2c(c1)CCCC2=O 617618554 UGLPELGLXQJUJF-UHFFFAOYSA-N 243.306 2.512 30 20 BFED C=CCCC(C)(C)NC(=O)CCCOCC 620863262 MIYRLNOSVQLTSG-UHFFFAOYSA-N 227.348 2.664 30 20 BFED C=C[C@H](C)NC(=O)c1ccc(C)c(F)c1F 631756838 USXHGNHRZWPNNC-QMMMGPOBSA-N 225.238 2.578 30 20 BFED C=CCN(C[C@@H]1CCO[C@H]1C)C(C)(C)C 639827973 LIULRRVRVJIQBA-RYUDHWBXSA-N 211.349 2.698 30 20 BFED C=CC[C@H]1CCCN(C(=O)NCCC(=C)C)C1 661264552 UFPKROBHFFANOR-ZDUSSCGKSA-N 236.359 2.950 30 20 BFED C=CCN(Cc1cc2n(n1)CCC2)C(C)(C)C 661757643 JPSZBVKMNWQGFQ-UHFFFAOYSA-N 233.359 2.616 30 20 BFED C=CC[C@@H](C)NC(=O)[C@@H](C)C1CCCC1 674093990 KFAQAEIPKYBXJE-MNOVXSKESA-N 209.333 2.894 30 20 BFED C=CCC(CC=C)C(=O)N1CC=CCC1 679301383 HJBLVGLEEVOCES-UHFFFAOYSA-N 205.301 2.543 30 20 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2.755 30 20 BFED COC[C@H](C)C(C)=NNc1ccc(OC)cc1 777889863 YDVWPVZMTGSRPS-JTQLQIEISA-N 236.315 2.766 30 20 BFED C=CCN(C(=O)[C@H]1CCO[C@H](CC)C1)C(C)C 779832023 KSQDTKNPAPRVPK-QWHCGFSZSA-N 239.359 2.615 30 20 BFED C=C(C)CCOC(=O)[C@H]1CCO[C@@H](CC)C1 780392956 SPXTXPFZMIAFDD-RYUDHWBXSA-N 226.316 2.701 30 20 BFED C=C(Cl)CNC(=O)N1CCC[C@@H](C(C)C)C1 780991064 XGKROVNBEBIOPY-LLVKDONJSA-N 244.766 2.817 30 20 BFED CC(Cc1ccncc1)=NNc1ncccc1C 790193884 RAEJESWDTPSYMC-UHFFFAOYSA-N 240.310 2.816 30 20 BFED CC(C)N1CC(=NN[C@@H](C)C(C)(C)C)[C@H](C)C1 793116440 XVUGXFSZKWUCGS-NEPJUHHUSA-N 239.407 2.727 30 20 BFED COC[C@H](C)NN=C1CCC[C@H](C(C)C)C1 794527444 ZRGGRDMTNJMFES-RYUDHWBXSA-N 226.364 2.813 30 20 BFED N#Cc1cnccc1/C=C/c1ccc(F)nc1 794716374 ZVYNLQOOUQSMJM-HNQUOIGGSA-N 225.226 2.658 30 20 BFED COCCN(C)N=Cc1ccc(C(C)C)cc1 794974727 OVJRQMWNIBNSSK-UHFFFAOYSA-N 234.343 2.722 30 20 BFED C[C@@H]1CC[C@@H](C=NNc2ccc(Cl)nn2)C1 800804684 HKIWXUSQOFTFLN-RKDXNWHRSA-N 238.722 2.964 30 20 BFED 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2.504 30 20 BFED C=CCNN=C1CCOc2ccc(Cl)cc21 794993157 RCBFEACGBYMVAB-UHFFFAOYSA-N 236.702 2.602 30 20 BFED C=CCC(C)(C)C(=O)OCCOCC1CC1 796463677 WYXBTXJPJNAGCT-UHFFFAOYSA-N 226.316 2.559 30 20 BFED C=CCC(C)(C)C(=O)O[C@H]1CC[C@H](OC)C1 797243298 KQGVSEATTOJOJO-QWRGUYRKSA-N 226.316 2.699 30 20 BFED CCC[C@@H](C(=O)O[C@@H](C#N)CC)c1ccccn1 799536808 XKHTUPPOPMDIQW-VXGBXAGGSA-N 246.310 2.811 30 20 BFED C#C[C@@H](NC(=O)OC)c1ccc(Cl)cc1F 804422884 ZVNBPADAAWVDOD-SNVBAGLBSA-N 241.649 2.509 30 20 BFED C#CC(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1 804528802 NQTCCIVDCUHYCG-TZMCWYRMSA-N 227.307 2.619 30 20 BFED C=CCCCCOC(=O)c1ccc(C)nc1 811012401 KENUHHHQOUQHTF-UHFFFAOYSA-N 219.284 2.903 30 20 BFED C#CCON=C(C)CCc1ccccc1F 812234351 XVLXPCHCYRTYJF-UHFFFAOYSA-N 219.259 2.784 30 20 BFED CC(=NNc1ccc(C)cc1)c1csc(N)n1 812372998 VYONJXODUMCWPR-UHFFFAOYSA-N 246.339 2.870 30 20 BFED Oc1cccc(C=NNc2ccccc2F)c1 812458741 JSBKGSCENPLQCG-UHFFFAOYSA-N 230.242 2.977 30 20 BFED C=CCCOC(=O)c1ccc(OC(C)(C)C)cn1 814520252 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2.755 30 20 BFED C[C@H]1Cc2ccccc2C1=NOC[C@@H]1CCOC1 788035207 YOKXEXGWSCFRRY-NWDGAFQWSA-N 245.322 2.636 30 20 BFED CC(=NNc1ncccc1C)c1cccnc1 790194048 UMFGLVMVDZHPCW-UHFFFAOYSA-N 226.283 2.621 30 20 BFED C[C@H](NN=Cc1cn2ccccc2n1)C(C)(C)C 793114597 HSZVDSVEXCRPCY-NSHDSACASA-N 244.342 2.692 30 20 BFED CC[C@@H](C)CON=Cc1cn2ccccc2n1 793160169 URSFEUHWCRMQRR-LLVKDONJSA-N 231.299 2.731 30 20 BFED CC#CCCNC(=O)[C@H](F)CC1CCCCC1 793785217 GIQZLTUBDBTFFZ-CYBMUJFWSA-N 239.334 2.825 30 20 BFED CC[C@@H]1CC(=NNc2cccc(F)n2)CCO1 795006050 JFXAQLBKELZIQO-SNVBAGLBSA-N 237.278 2.578 30 20 BFED N#CC[C@H](CC(=O)OCCCF)c1ccccc1 795981719 OELWEFGCFRJIRV-CYBMUJFWSA-N 249.285 2.977 30 20 BFED N#Cc1ccc(C(=O)OC/C(Cl)=C\Cl)o1 796152560 YJJZLQZYDDBHBF-ZZXKWVIFSA-N 246.049 2.627 30 20 BFED C=C(C)CCOC(=O)C(C)(C)C1CCOCC1 796734637 PJRAIEVUMYPGOO-UHFFFAOYSA-N 240.343 2.949 30 20 BFED C#CCCCC(=O)NC[C@@H]1CCCC(F)(F)C1 800048000 SWHUAWKAVCKRDO-LLVKDONJSA-N 243.297 2.732 30 20 BFED C[C@H](C(=O)OCCCSCC#N)C(C)(C)C 805457156 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CC[C@@H]1OCC[C@H]1NCCCCC(C)(C)C#N 459779146 PVTQDGAVBZHMSX-OLZOCXBDSA-N 238.375 2.864 30 20 BFED C=CCCCCNC(=O)C1C[C@@H](C)O[C@H](C)C1 471718080 SEBNOHZEVHFRSS-VXGBXAGGSA-N 239.359 2.663 30 20 BFED C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1C 488572847 LOGJDIIBUXTRNM-CHWSQXEVSA-N 246.354 2.983 30 20 BFED C#CCN(CCOCC(F)F)C1CCCCC1 490741393 URVAUGOFZIHQOL-UHFFFAOYSA-N 245.313 2.536 30 20 BFED C#C[C@@H](CCC)/N=C/c1cccc(OC)c1O 491635664 TXQUTQXJDXEPRV-XBUHWIKASA-N 231.295 2.622 30 20 BFED C#C[C@H](CC)NC(=O)C(C)(C)c1ccccc1C 491751867 LLDNVHUAKMEYSE-CYBMUJFWSA-N 243.350 2.801 30 20 BFED C=CCCOC(=O)c1ccccc1NC(=O)OC 491969341 SUDZIXURYMJZMB-UHFFFAOYSA-N 249.266 2.598 30 20 BFED C=CCN(C(=O)N[C@H]1CCC[C@H](F)C1)C1CC1 516924387 LMVCYDQTTVWCST-QWRGUYRKSA-N 240.322 2.627 30 20 BFED CCN(CC#N)Cc1nc2cc(C)ccc2s1 528364352 LRDAHJNGMVHWJH-UHFFFAOYSA-N 245.351 2.950 30 20 BFED C=CCSCc1cccc(C(=O)OC)c1C#N 535137709 NXBSGEKOLXPIDO-UHFFFAOYSA-N 247.319 2.764 30 20 BFED C=CCn1c(CC)nnc1N(CC)CCCC 562027885 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C=CC[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 595662010 YIUQNYFWFRLNDF-MGPQQGTHSA-N 218.344 2.967 30 20 BFED COc1cc(OCC2(CC#N)CC2)ccc1C#N 596274176 BLYRJBXZSLEQDP-UHFFFAOYSA-N 242.278 2.640 30 20 BFED CC[C@](C)(C#N)NC(=O)C1CCC2(CC1)CC2 597036427 RVZZNSLDACUUNP-CYBMUJFWSA-N 234.343 2.765 30 20 BFED C=CCCSCCNC(=O)C1=CCCCC1 597967169 QPNXDQMLNGHFQG-UHFFFAOYSA-N 239.384 2.912 30 20 BFED C[C@@H](C#N)C(=O)N1c2ccccc2C(C)(C)[C@@H]1C 598276191 SZHQWFFGJWDTLO-QWRGUYRKSA-N 242.322 2.859 30 20 BFED CCN(C(=O)C1[C@@H]2CCCCCC[C@@H]12)[C@H](C)C#N 598347594 WPNNXYKDHBYTEG-JHJVBQTASA-N 248.370 2.963 30 20 BFED C=C(C)CN(CC)C(=O)c1ccccc1CC#N 600995949 YJABCDCERNSGIR-UHFFFAOYSA-N 242.322 2.791 30 20 BFED CC[C@@H](C#N)NC(=O)C/C=C/Cc1ccccc1 602089538 VHCURQMNRQSPHW-UZYOAWRESA-N 242.322 2.594 30 20 BFED CO[C@H]1C[C@H](N(C)CC2(CC#N)CC2)C12CCC2 602842682 ZWJTZDLZIBHZRK-STQMWFEESA-N 248.370 2.570 30 20 BFED CC(C)Cc1ccc(C(=O)NC(C)(C)C#N)cc1 603883797 DMUVDQQFIPRNCA-UHFFFAOYSA-N 244.338 2.917 30 20 BFED C=CCCOCC(=O)NCCCC(C)(C)C 606873073 YBVGRZGRSWBPKZ-UHFFFAOYSA-N 227.348 2.522 30 20 BFED CC#CCN(CCC)Cc1ccccc1 607723904 HIDJXGOVEICTKG-UHFFFAOYSA-N 201.313 2.922 30 20 BFED C=C[C@H](C)NC(=O)c1c(F)cc(C)cc1F 612264210 NXXLNDYLKDORMH-QMMMGPOBSA-N 225.238 2.578 30 20 BFED CCc1ccc(CN2CC[C@](F)(C#N)C2)cc1 615636705 AEVWBUYDDZBHHW-AWEZNQCLSA-N 232.302 2.687 30 20 BFED C=C(CC)CNC(=O)[C@H](C)c1nc(C)cs1 616117081 ZUBGBUIISIFELN-JTQLQIEISA-N 238.356 2.637 30 20 BFED C=CCC1(NC(=O)Cc2cccnc2)CCCC1 619104729 UJFISANZLWQQKU-UHFFFAOYSA-N 244.338 2.629 30 20 BFED C=CCCN(C)C(=O)COCc1ccccc1C 621968809 VLEDJWRIIWQKNO-UHFFFAOYSA-N 247.338 2.546 30 20 BFED C=C(C)CCNC[C@H](Cc1ccccc1)OC 639227759 RPWYOHXRROFKIM-HNNXBMFYSA-N 233.355 2.800 30 20 BFED C=CC[C@@H]1CCCN(C[C@H]2CCN[C@H](C)C2)C1 656787207 GZGRAJRBLHKPRI-KFWWJZLASA-N 236.403 2.663 30 20 BFED C=CCC1(NCC2=CCCOC2)CCCC1 657702640 MFFNEZXGTZXXJQ-UHFFFAOYSA-N 221.344 2.812 30 20 BFED C=C(C)CNC(=O)N[C@H]1C[C@@]1(C)c1ccccc1 681660517 IVXLSOIJVSEHEY-ZFWWWQNUSA-N 244.338 2.592 30 20 BFED C=CC1CCN(Cc2cc(C)ccn2)CC1 683009585 PEICZJBDRZMKSR-UHFFFAOYSA-N 216.328 2.788 30 20 BFED CC(C)(C#N)CCCN1CCC[C@@H](F)C1 689883257 RSYGQADLFWMHTB-LLVKDONJSA-N 212.312 2.750 30 20 BFED N#C[C@H]1CCCN(c2ccnc3ccccc23)C1 693953564 SVNRETROWZBQCL-GFCCVEGCSA-N 237.306 2.975 30 20 BFED C#CCOc1cccc(OC(=O)c2ccco2)c1 730501194 FPMRWAXHYFESLR-UHFFFAOYSA-N 242.230 2.511 30 20 BFED C#CC(C)(C)NC(=O)/C=C(\C)c1ccc(F)cc1 733883659 WTBSNEBZYOELCC-ZHACJKMWSA-N 245.297 2.757 30 20 BFED C=C(Cl)CNC(=S)N[C@@H]1CCCC[C@@H]1C 735981590 JXEHMOYPGURTSO-WCBMZHEXSA-N 246.807 2.782 30 20 BFED C#CCN(CC#CC)Cc1ccccc1Cl 741779713 DYWUWHFXSPGUBW-UHFFFAOYSA-N 231.726 2.799 30 20 BFED CC(=NNCc1ccccc1)C1CCC1 747629565 GFERJRKKDORTNT-UHFFFAOYSA-N 202.301 2.952 30 20 BFED C=CCC[C@@H](C)NCc1cccc2c1OCCO2 756702576 ARKBPHMNPFYXHF-GFCCVEGCSA-N 247.338 2.902 30 20 BFED COc1cccc2cc(C(C)=NNC3CC3)oc12 758132610 IJRMRKJDUWWVFL-UHFFFAOYSA-N 244.294 2.917 30 20 BFED CC[C@H]1CCCC(=NNc2cnn(C)c2)C1 761881445 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C=C[C@](C)(CC)C(=O)O[C@@H](C)c1nnc(C)o1 785761351 ISYDALCBCMBUDM-QPUJVOFHSA-N 238.287 2.585 30 20 BFED C=CCCC(CC)=NNCCc1ccncc1 789094798 UGSMKSDHSIQLAV-UHFFFAOYSA-N 231.343 2.946 30 20 BFED CCCCCCCONC(=N)[C@@H]1CCCO1 789605021 CUCQBBAZFLTDDP-NSHDSACASA-N 228.336 2.634 30 20 BFED C[C@@H](NN=Cc1cnc2ccccn12)C(C)(C)C 793114339 LGUMHQGFILDPNP-LLVKDONJSA-N 244.342 2.692 30 20 BFED C=CCNN=Cc1cc(F)cc(C(F)(F)F)c1 794993709 FVNVJVZFHZGEKE-UHFFFAOYSA-N 246.207 2.954 30 20 BFED C=CCCOC(=O)[C@H]1Cc2ccc(F)cc21 796069908 XOLPXOUIFBXSBD-LBPRGKRZSA-N 220.243 2.585 30 20 BFED C=CCC(C)(C)C(=O)OCc1ccnc(OC)c1 796463102 NAZPXGYLIOATLM-UHFFFAOYSA-N 249.310 2.736 30 20 BFED C=CCOCCOC(=O)c1ccccc1Cl 797283281 KKFVQBJLHRCDLO-UHFFFAOYSA-N 240.686 2.699 30 20 BFED CCCC[C@@H]1CCCC1=NNCC(C)(C)CO 799114799 LEEJAEJSGAFXNS-GFCCVEGCSA-N 240.391 2.941 30 20 BFED CCCOc1cccc(NCCO[C@H](C)C#N)c1 802739756 KYGUWXFOPIBQTQ-GFCCVEGCSA-N 248.326 2.816 30 20 BFED C=CCCO[C@H](C)C(=O)OCCSC(C)C 803320727 ZPYQTZPAKXSIRG-LLVKDONJSA-N 246.372 2.652 30 20 BFED C=C(CNC(=O)/C=C/C=C\C)c1ccccc1 805251432 XIMQEMXXQWMPNP-KXLXTGLCSA-N 227.307 2.948 30 20 BFED COc1ccc(NN=CCCC2CC2)nc1 807983678 UONKLHCENJXQIM-UHFFFAOYSA-N 219.288 2.678 30 20 BFED N#Cc1c[nH]cnc1=NCC1CCCCCCC1 809349932 IGXFBEWUFIAWCW-UHFFFAOYSA-N 244.342 2.543 30 20 BFED C#Cc1ccc(CN2C[C@H](C)[C@@H](C)C2)cc1 809578410 KVRZZBURJSOXRW-STQMWFEESA-N 213.324 2.756 30 20 BFED CC(C)(C)CCOC(=O)c1cccc(C#N)n1 810599599 JIRIFMSXKLSWIT-UHFFFAOYSA-N 232.283 2.546 30 20 BFED C=C(Cl)CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1 815161099 ZFAGNBPVIKFZIG-BJDJZHNGSA-N 211.736 2.717 30 20 BFED C=CC[C@@H](CC)NC[C@@H](O)c1ccc(C)cc1 819285245 ZKYLTNSKGAOOGK-HUUCEWRRSA-N 233.355 2.973 30 20 BFED C=C(C)CN(CC)c1ccc(Cl)nn1 819908042 XBLNLIZPPJAPLF-UHFFFAOYSA-N 211.696 2.532 30 20 BFED C=CCCOCC(=O)O[C@H]1CCC(C)(C)C1 820308637 RCJNCYIVHSVUNO-NSHDSACASA-N 226.316 2.701 30 20 BFED C=CCCc1noc(-c2ccc([C@@H](C)N)cc2)n1 823263602 KNSMLSBRTAFBCQ-SNVBAGLBSA-N 243.310 2.875 30 20 BFED C=CC[C@H](C)NC(=O)c1ccc2c(c1)C[C@@H](C)O2 828039562 FABPNINDGBQREF-WDEREUQCSA-N 245.322 2.704 30 20 BFED C#C[C@H](C)N(C)C(=O)/C(F)=C\C1CCCCC1 830574188 KDJBDTZTWFTFNH-CDDSVFCYSA-N 237.318 2.900 30 20 BFED COc1cccc(C)c1NC(=O)C#CC(C)C 834536081 DINFENTXHCJLKZ-UHFFFAOYSA-N 231.295 2.602 30 20 BFED CC[C@H](C)NN=Cc1cccc(C)c1F 834972923 LIJVCJYYNMAMKM-JTQLQIEISA-N 208.280 2.856 30 20 BFED C[C@@]1(C(=O)OCC2(CC#N)CC2)CC=CCC1 835188871 VGGYCRNEJSOGPT-CYBMUJFWSA-N 233.311 2.970 30 20 BFED C=C(C)[C@H](C)OC(=O)[C@H](Cc1ccccc1)OC 835298669 RJAUIQOJDQQODK-JSGCOSHPSA-N 248.322 2.752 30 20 BFED C=CC(C)(C)COC(=O)CSC(F)F 835722839 XQYYDMJZDOQPIK-UHFFFAOYSA-N 224.272 2.698 30 20 BFED CC(C)(C)C#CC(=O)N1C[C@H](C2CC2)[C@@H]1C1CC1 837685381 RWLJQESZPVKMHK-HIFRSBDPSA-N 245.366 2.683 30 20 BFED C=C(Cl)COC(=O)Cc1cc(C)ccc1F 838134431 IGYKILXFSPGCCG-UHFFFAOYSA-N 242.677 2.972 30 20 BFED c1ccc([C@H]2CCCCC2=Nn2cnnc2)cc1 839382844 ZLULVILMRVIUCM-CYBMUJFWSA-N 240.310 2.840 30 20 BFED C=CCCC[C@@H](C)Nc1cc2nnc(C)n2cn1 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30 20 BFED C=CCCCCN[C@H]1C[C@@H](C)n2ccnc21 294078529 LIGSTCHFCPGJTJ-NEPJUHHUSA-N 219.332 2.835 30 20 BFED C=CCCc1noc(-c2cc(Cl)cn2C)n1 297386671 RNDDISSAVFRENE-UHFFFAOYSA-N 237.690 2.847 30 20 BFED C=CCCCCCN1CCC[C@H](CC(=O)O)C1 300256515 HSVJSBYDJUCDGT-CYBMUJFWSA-N 239.359 2.920 30 20 BFED C=CCCOCCN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 300414641 NSSYDLKGRREVLB-DGADGQDISA-N 249.398 2.993 30 20 BFED C[C@@H](NCC1(C#N)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 309426887 AWSACKIARAQGHR-VOAKCMCISA-N 218.344 2.704 30 20 BFED C=C[C@H](COC)N[C@H]1CCCc2sccc21 309553994 JEACLULINBTTJD-PWSUYJOCSA-N 237.368 2.916 30 20 BFED C#C[C@@H](NCc1ccccc1O)C(C)(C)C 309612370 MYKNQNICFUCYGT-CYBMUJFWSA-N 217.312 2.530 30 20 BFED CC(C)CCC[C@H](C)Nc1ccnc(C#N)n1 310517575 LHWNUMAXRQISAY-NSHDSACASA-N 232.331 2.975 30 20 BFED C=CCC[C@@H](CO)NCC(C(C)C)C(C)C 320512453 NDMCWGIVTJPBBB-ZDUSSCGKSA-N 227.392 2.831 30 20 BFED N#Cc1nccn1CC/C=C/c1ccccc1 323749372 UOXAEJDHEKPDRA-XBXARRHUSA-N 223.279 2.858 30 20 BFED 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246.354 2.720 30 20 BFED N#C[C@@H]1CCC[C@@H](NC/C=C\C2CC2)C1 378870308 MAVBABOTRZKNRE-UZMLQMNBSA-N 204.317 2.625 30 20 BFED C=CCN(Cc1ccccc1C(=O)O)C1CC1 382528945 IWANKNVVALNJGG-UHFFFAOYSA-N 231.295 2.535 30 20 BFED C=CC(C)(C)CNc1cccnc1[N+](=O)[O-] 384916404 DGRLSAOVMMFFMJ-UHFFFAOYSA-N 221.260 2.614 30 20 BFED CCN(CCC#N)C(=O)c1cccc(F)c1C 399635885 WQEUGHPCIFNCEC-UHFFFAOYSA-N 234.274 2.510 30 20 BFED CC[C@@H](C)C[C@H](C)Nc1cncc(C#N)n1 401211423 HGCAPEGLPUQMHC-ZJUUUORDSA-N 218.304 2.585 30 20 BFED CC[C@@H]1C[C@H]1Nc1cc(C)c([N+](=O)[O-])cc1C#N 413259484 BMKPVUFHALMVLS-BXKDBHETSA-N 245.282 2.985 30 20 BFED CC#CCCNC(=O)N[C@@H](CC)[C@H]1CC1(C)C 419486373 XHPDMXMQEXAVTR-NEPJUHHUSA-N 236.359 2.524 30 20 BFED CC[C@H](C)CNC(=O)c1cccc(CC#N)c1 421581080 PAGUSKVABAPGHK-NSHDSACASA-N 230.311 2.529 30 20 BFED C=C(CN[C@H]1CCNCC[C@@H]1C)c1ccccc1 423023831 IEBWZJKYBVLQBN-BBRMVZONSA-N 244.382 2.678 30 20 BFED C[C@H](C1CCC1)N(C)C(=O)NCC1(CC#N)CC1 431193284 OMHSLFIUXJVFII-LLVKDONJSA-N 249.358 2.510 30 20 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229.323 2.529 30 20 BFED C=C1CCN(CCCOC(F)(F)F)CC1 878086806 BYOBZPVGSFIVSC-UHFFFAOYSA-N 223.238 2.565 30 20 BFED C=CC(C)(C)CC(=O)NC[C@@H](O)CC(C)(C)C 878878168 OBJDKYORBJWYMS-NSHDSACASA-N 241.375 2.502 30 20 BFED C=C/C=C\CCNC(=O)C[C@H](OCC)C(=C)C 881568790 WRDXXZWQYCZGFR-WSROAFLRSA-N 237.343 2.606 30 20 BFED C=CCCC[C@H](C)NC(=O)N1CCC(F)CC1 883555143 QKRLUXUDBLYBOY-NSHDSACASA-N 242.338 2.875 30 20 BFED C=C[C@@H](C)Nc1ncnc2[nH]cc(CC)c12 892893618 XPSIARKYKRABGJ-MRVPVSSYSA-N 216.288 2.507 30 20 BFED C=CC1(OC(=O)c2cn3ccc(C)cc3n2)CC1 893365882 TVVYQAASLSWKOP-UHFFFAOYSA-N 242.278 2.518 30 20 BFED C=C1CN(C(=O)CCCc2ccc(C)s2)C1 898698772 RZYGCGATFGLEJW-UHFFFAOYSA-N 235.352 2.778 30 20 BFED CCOc1cccc(/C=N\C/C=C\Cl)c1O 899234177 UWOKCHOYVJJHRH-FSHIIUHBSA-N 239.702 2.962 30 20 BFED C=C[C@@H](C)NC(=O)CCCC(=O)c1ccccc1 901020889 WAOISLVYQPKCHN-GFCCVEGCSA-N 245.322 2.730 30 20 BFED C=CCC[C@@H](CC)N[C@H](CC1CC1)C(=O)O 901789490 JBLRZICNHJYABX-VXGBXAGGSA-N 225.332 2.574 30 20 BFED 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227.348 2.522 30 20 BFED C=CC[C@@H](C(=O)O)N1CC(C)(C)c2ccccc21 1573350885 NHKFFSHZUSAMJK-ZDUSSCGKSA-N 245.322 2.814 30 20 BFED C=C[C@@H](SC/C(C)=C/Cl)C(=O)O 1588714743 MLRXKEMZJFCFON-PTYLAXBQSA-N 206.694 2.501 30 20 BFED Cc1cccc(F)c1NC(=O)c1cc(C#N)c[nH]1 1597860147 YLMHQDMTXQNAPX-UHFFFAOYSA-N 243.241 2.586 30 20 BFED C=CCC1(C(=O)O)CCN(C[C@@H]2C=CCC2)CC1 1776158307 BAQOODXQGHNCPP-CYBMUJFWSA-N 249.354 2.696 30 20 BFED C=CCCCN(CC)c1nc(C)ccc1C(=O)O 1776174467 XPHDNTPDWYGECK-UHFFFAOYSA-N 248.326 2.881 30 20 BFED C=CCc1ccccc1CN[C@H](CC)CC(=O)O 1776188678 PZPGNEXQTHJMNG-CQSZACIVSA-N 247.338 2.758 30 20 BFED N#CCC(=O)Nc1nc(-c2cccs2)cs1 6334934 VJSCTANFLGEHDX-UHFFFAOYSA-N 249.320 2.724 30 20 BFED CN(CCC#N)c1nc2ccccc2s1 19834332 AXFRDSXGSUMYFE-UHFFFAOYSA-N 217.297 2.646 30 20 BFED N#Cc1ccccc1OCc1cscn1 20253748 SFBOSBWATNWQRR-UHFFFAOYSA-N 216.265 2.594 30 20 BFED C[C@H](NCC1CC1)c1cccc(C#N)c1 37187378 SPXKZVULKVPFKU-JTQLQIEISA-N 200.285 2.619 30 20 BFED Cc1ccc(CN(CCC#N)CCC#N)cc1 41248601 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C[C@@H]1CCN(Cc2cccc(C#N)c2)[C@@H]1C 177894845 BCJMFYQAZNRYJK-VXGBXAGGSA-N 214.312 2.789 30 20 BFED N#CCCN(Cc1cc(F)ccc1O)CC1CC1 180076594 FBFKYILYMBSYTD-UHFFFAOYSA-N 248.301 2.657 30 20 BFED CC(C)(C)N/C(N)=N/CCC1=CCCCCC1 184816463 ABNIWIFDXKBJQB-UHFFFAOYSA-N 237.391 2.970 30 20 BFED CC#CCCCC(=O)NCc1ccccc1C 184917123 ISIPPLCAOKOMAC-UHFFFAOYSA-N 229.323 2.805 30 20 BFED C[C@@H](C#N)CNC(=O)NCCC1=CCCCCC1 185130995 XGGYXTJBFFAVCE-LBPRGKRZSA-N 249.358 2.726 30 20 BFED C#C[C@H](C)NC(=O)C[C@@H](C)c1ccc(CC)cc1 186003435 KOYWBZBYRWGKBJ-OLZOCXBDSA-N 243.350 2.881 30 20 BFED C#C[C@@H](C)NC(=O)/C=C/c1ccc(Cl)s1 186046039 VBVYGUGZZZGSTB-WVXIBAHESA-N 239.727 2.553 30 20 BFED C=C(C)CNC(=O)C(C)(C)c1ccccc1C 187708919 LULYVVOUECLFCQ-UHFFFAOYSA-N 231.339 2.965 30 20 BFED C=CCC1(C(=O)N(C)CCSC)CCC1 189218753 ALSZXMYDAQAVDX-UHFFFAOYSA-N 227.373 2.554 30 20 BFED C[C@@H](NCc1cc(C#N)n(C)c1)C1CCCC1 189593256 VEEXTZSIBYBGEG-LLVKDONJSA-N 231.343 2.565 30 20 BFED C=CCN(C)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 195239949 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249.354 2.956 30 20 BFED Cc1nc(C)c(CNc2cccc(C#N)n2)s1 270040514 JGZOOAJZZKTWJM-UHFFFAOYSA-N 244.323 2.639 30 20 BFED C=CCN(C(=O)c1ccc(F)c(F)c1)C1CC1 271570546 UAMXTWLYSDVCGP-UHFFFAOYSA-N 237.249 2.755 30 20 BFED CC(=O)Nc1ccc(OCCC(C)(C)C#N)cc1 272105789 NSXINOKMDDYOAQ-UHFFFAOYSA-N 246.310 2.964 30 20 BFED Cc1c(Cl)cnc(N2CCCC2)c1C#N 272978421 CQLZRYXOHJMYGM-UHFFFAOYSA-N 221.691 2.515 30 20 BFED C#CCN(C(=O)Nc1cccc(C)c1)C1CC1 274093641 USRJTPJRNQSNGF-UHFFFAOYSA-N 228.295 2.625 30 20 BFED Cc1cnccc1CCN[C@@H]1CCC[C@@H](C#N)C1 274179329 FDOFVIRJFYYNJH-UKRRQHHQSA-N 243.354 2.605 30 20 BFED CC[C@@H]1[C@@H](C)CCN1c1cccc(C#N)n1 274693152 KMOADZGDVQAFQV-CMPLNLGQSA-N 215.300 2.578 30 20 BFED CCc1ccccc1CNC(=O)CC(C)(C)C#N 278349977 MXHBQWOKVJRGKK-UHFFFAOYSA-N 244.338 2.805 30 20 BFED C[C@H]1CCC[C@@H]1NCCOc1cccc(C#N)c1 279218803 HUXILQNBXCSOPH-WFASDCNBSA-N 244.338 2.715 30 20 BFED N#Cc1ccc(SCCOC2CCC2)nc1 286557910 LPXUGMHEXCGWMG-UHFFFAOYSA-N 234.324 2.614 30 20 BFED C=CC[C@H](C)[C@@H](C)NC[C@H](O)Cc1ccccc1 287087231 PCWJAHSXVQGYMS-SQWLQELKSA-N 247.382 2.780 30 20 BFED CC#CCCCC(=O)N(C)c1ccc(C)cn1 288892198 IRUACUMWPOKYHF-UHFFFAOYSA-N 230.311 2.546 30 20 BFED C=CCCN1CCCN2c3ccccc3C[C@@H]2C1 289455787 LMZFVCHYOFBBFJ-OAHLLOKOSA-N 242.366 2.700 30 20 BFED C=C[C@H](CO)N[C@@H](C)c1ccc(Cl)cc1 289745971 HBLLCMXYIRXOIT-JOYOIKCWSA-N 225.719 2.538 30 20 BFED C=CCOCCN1CC[C@@H](c2ccccc2F)C1 293226827 VUZGLMITTHZZLH-CYBMUJFWSA-N 249.329 2.818 30 20 BFED CCc1ccc([C@@H]2CCN(CC#N)C2)cc1 293481241 YEDNSFJJRKDYOM-CQSZACIVSA-N 214.312 2.562 30 20 BFED C=C[C@@](C)(CC)C(=O)NCc1cc(C)ccn1 293949620 FPMLILJYJPOCBI-AWEZNQCLSA-N 232.327 2.609 30 20 BFED C=CC(C)(C)C(=O)Nc1ccc(O)cc1C 295591472 SWSPAAUBZJNTJQ-UHFFFAOYSA-N 219.284 2.851 30 20 BFED C#CCN(CC1CC1)c1ncnc2sccc12 301822887 MXVPUFMVQUTYAC-UHFFFAOYSA-N 243.335 2.541 30 20 BFED CC[C@@H](C)[C@](C)(O)CNCC(C)(C)CCC#N 304364576 YLJCAKSOLTZXPB-TZMCWYRMSA-N 240.391 2.703 30 20 BFED C[C@]1(Cc2ccc(Cl)cc2)O[C@@H]1C#N 307743906 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2.697 30 20 BFED Cc1cc(CN[C@@H]2CS[C@@H](C)C2)ccc1C#N 334854195 QAZHCCXHJTYWFA-FZMZJTMJSA-N 246.379 2.850 30 20 BFED C=CCC(C)(C)C(=O)N1CCCCCC1 335003139 MELZIVVNKURYQV-UHFFFAOYSA-N 209.333 2.991 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@@H]1CCCSC1 335077842 DYUVIEWECGKJLA-SNVBAGLBSA-N 227.373 2.601 30 20 BFED N#CC1(CN2CCSc3ccccc32)CC1 335355056 BWTLBSDFZCWOJY-UHFFFAOYSA-N 230.336 2.902 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H](C)n2ccnc21 335495466 JLPMKDRIQSTWQA-WDEREUQCSA-N 247.342 2.607 30 20 BFED C=CCC(C)(C)CN[C@H]1CCN2CCC[C@H]2C1 336654405 HFEJWEURHGBSGE-KBPBESRZSA-N 236.403 2.805 30 20 BFED COCCCCC(=O)Nc1ccccc1CC#N 339166039 FAXAWHWVJQCWOV-UHFFFAOYSA-N 246.310 2.508 30 20 BFED CC(C)(C#N)CCCCN1CCC[C@H](O)CC1 339791298 JCUZEMXTFJSQOW-ZDUSSCGKSA-N 238.375 2.553 30 20 BFED CC(C)(O)CSCc1ccc(F)cc1C#N 341931890 RTHBJGXEPJKADZ-UHFFFAOYSA-N 239.315 2.701 30 20 BFED C=CCOCC(=O)N1CCCC[C@@H]1CC(C)C 342131031 ARWMYEPKPMOLSH-CYBMUJFWSA-N 239.359 2.616 30 20 BFED CC1(C)CC[C@H]1NCCOc1ccc(C#N)cc1 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C=C(C)CN(CC)C[C@H](CC(C)C)OC 419190493 IIOKYFYWMQMOLX-ZDUSSCGKSA-N 213.365 2.946 30 20 BFED C=C(C)C(C)(C)C(=O)NCc1ccccc1OC 424529966 GMHODAUSGPXUHM-UHFFFAOYSA-N 247.338 2.914 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@H](C)C1(OC)CCC1 425620720 JIOCFDXZRSEHIX-LLVKDONJSA-N 239.359 2.663 30 20 BFED CC(C)[C@H](CC(=O)NCCC#N)c1ccccc1 427624487 TZHNNZZSSRRSTD-AWEZNQCLSA-N 244.338 2.846 30 20 BFED CC(C)CCC[C@H](C)NC(=O)[C@@]1(C#N)C[C@H]1C 448650773 YFTPXSLJTQPBFH-MBNYWOFBSA-N 236.359 2.867 30 20 BFED C=C(CC)CNC(=O)c1cc(C)cc(F)c1 453019069 OZFVLIBLTKABOG-UHFFFAOYSA-N 221.275 2.830 30 20 BFED CC[C@@]1(C(C)C)C[C@H]1NC(=O)[C@@](C)(C#N)CC 457226435 AMSCYSRNVGZSPC-BNOWGMLFSA-N 236.359 2.867 30 20 BFED CCC(CC)N(CC)C(=O)NCC(C)(C)C#N 460887186 YFVVXMKLUFWPRX-UHFFFAOYSA-N 239.363 2.756 30 20 BFED C#CC(C)(C)NC(=O)[C@H]1CCCC[C@@H]1CC 490741209 SVXDRJUYSQYZRI-RYUDHWBXSA-N 221.344 2.731 30 20 BFED C#C[C@@H](NC(=O)C1(CC=C)CCCC1)C(C)C 491252731 JRGMXJSDUQSDCH-CYBMUJFWSA-N 233.355 2.897 30 20 BFED 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C[C@H]1OCCC1=NNc1cc(F)c(F)c(F)c1 747764694 QSZFRLZFOCJUPD-ZCFIWIBFSA-N 244.216 2.681 30 20 BFED COCCON=C(C)CCc1ccccc1F 748790776 MGJCGMSGQBSERK-UHFFFAOYSA-N 239.290 2.797 30 20 BFED C[C@H](C#N)CNN=Cc1cc(Cl)ccc1F 753715601 SWAFWHKTBFLPHA-MRVPVSSYSA-N 239.681 2.562 30 20 BFED C#CCOCCN[C@H](CC)c1ccc(C)cc1 753759260 BDIAVYJHNOGPQS-OAHLLOKOSA-N 231.339 2.686 30 20 BFED C[C@@H]1CC(=NNc2cccc(F)c2)CN1C1CC1 753960009 NXUUUFBKNGFMBV-SNVBAGLBSA-N 247.317 2.850 30 20 BFED C#CCCCC(=O)OCc1cccc(C#N)c1F 759167327 RDAIXCMDJVWSGT-UHFFFAOYSA-N 245.253 2.544 30 20 BFED C=CCCC(=O)COC(=O)CC(C)(C)CC 761410922 AGQGIRFGKOBADI-UHFFFAOYSA-N 226.316 2.891 30 20 BFED CCCCC[C@@H](C)NC1CCN(CC#N)CC1 765856027 KBCZSUXJPFEDCI-CYBMUJFWSA-N 237.391 2.533 30 20 BFED C=CCOCC(=O)OCC1CCC(C)(C)CC1 766540589 ZLQUGQKIUOTZPF-UHFFFAOYSA-N 240.343 2.949 30 20 BFED C#C[C@H](C)N(C)c1ccc2ccc(F)cc2n1 767439756 MOAFPIPRCGZTDW-JTQLQIEISA-N 228.270 2.832 30 20 BFED O=C1/C(=C/c2ccc(F)nc2)Oc2ccccc21 777468128 VNBZZXXDNHUWBT-GHXNOFRVSA-N 241.221 2.837 30 20 BFED C=CCS(=O)(=O)Cc1ccc(F)cc1Cl 779366780 ITWKRKULCGRAPF-UHFFFAOYSA-N 248.706 2.580 30 20 BFED CC1(C)CCC(=NN[C@H]2CCCOC2)CC1 780259875 FYFQPNIBKQOMNQ-LBPRGKRZSA-N 224.348 2.711 30 20 BFED Cc1cccnc1C=NOCc1ccccc1 781586983 RQVGLIFFDBFDFS-UHFFFAOYSA-N 226.279 2.941 30 20 BFED C[C@@]1(C#N)CCCN(C/C(Cl)=C\Cl)C1 784444088 SIPNSSUEJAICQO-CYNRKNSPSA-N 233.142 2.931 30 20 BFED C[C@@]12CCN(CCCC#N)C[C@@H]1C2(Cl)Cl 792911097 FWIVFMKTJURWKZ-VHSXEESVSA-N 247.169 2.806 30 20 BFED CC[C@@H](C)CON=C1COc2cc(OC)ccc21 793157426 AHYAENMGRIBASB-SNVBAGLBSA-N 249.310 2.854 30 20 BFED C=CCNN=C(C)c1cc(F)c(F)c(F)c1 794998621 PGDZPAAHKHSVJI-UHFFFAOYSA-N 228.217 2.604 30 20 BFED N#Cc1ccc(C=NNc2cccc(F)n2)cc1 795008029 DEVMGVZSTZNFMD-UHFFFAOYSA-N 240.241 2.538 30 20 BFED COCCCON=C1C[C@@H](C)C[C@H](C)C1 795044955 SPRTXLHSQDWYSV-QWRGUYRKSA-N 213.321 2.852 30 20 BFED CC[C@H](CC#N)OC(=O)c1ccc(C)c(C#N)c1 799627987 RQKDSQXKBXURNU-CYBMUJFWSA-N 242.278 2.716 30 20 BFED C=CCOc1ccc(OCCO[C@H](C)C#N)cc1 802729791 NWZSAYJKEJFMEI-GFCCVEGCSA-N 247.294 2.559 30 20 BFED C=C(C)COC(=O)c1c(C)cccc1[N+](=O)[O-] 805794492 UOHAOZXQLMXSCZ-UHFFFAOYSA-N 235.239 2.636 30 20 BFED C=CCCCC(=O)OCc1cccnc1C 810885982 QAGYWZFNDUWLTD-UHFFFAOYSA-N 219.284 2.790 30 20 BFED CC(=NOCCC1CC1)c1cc(O)cc(O)c1 814247068 PLRYHYQFXUIOCJ-UHFFFAOYSA-N 235.283 2.639 30 20 BFED C1CCN(CCNN=C2CC[C@@H]2C2CCC2)CC1 814808123 CVCTXKJHVADIID-CQSZACIVSA-N 249.402 2.628 30 20 BFED CCC(CC)CNN=C[C@@](C)(OC)C1CC1 814906556 ZYHVXGAZHHSSDG-CYBMUJFWSA-N 226.364 2.813 30 20 BFED COCCC(C)=NN[C@@H]1CCCC1(C)C 814917552 MWLMQMKARNPUEW-LLVKDONJSA-N 212.337 2.567 30 20 BFED CC[C@@H](C)CON=C(C)c1cccc(CO)c1 814939270 KTCCIMNPKNMXQJ-LLVKDONJSA-N 235.327 2.966 30 20 BFED C=CCN(C(=O)c1c[nH]c2nccc-2c1)C(C)C 825699512 DCXZIPVNVMDXEF-UHFFFAOYSA-N 243.310 2.551 30 20 BFED C#Cc1cnc(N[C@H](C)C[C@H](C)CC)nc1 827691543 ZENZJXCXLXWAHS-GHMZBOCLSA-N 217.316 2.695 30 20 BFED C#C[C@H](NC(=O)[C@]1(C)CCC[C@@H]1C)C(C)(C)C 832807236 RHRXEQASBGLKFD-SLEUVZQESA-N 235.371 2.977 30 20 BFED CC[C@H](C)[C@@H](C=NNc1ccccn1)OC 834923825 DIHFZHCVHIVGLF-WDEREUQCSA-N 221.304 2.540 30 20 BFED C=C(CC)COC(=O)C[C@@H]1CC[C@@H]2C[C@H]12 835660356 DKDFNAUQTPYDSK-WOPDTQHZSA-N 208.301 2.932 30 20 BFED C=CC(C)(C)COC(=O)[C@H](CCC)OC 835722793 XCSWFRKKLIBJQL-JTQLQIEISA-N 214.305 2.557 30 20 BFED O=C(C#CC1CC1)N[C@H](c1ccccc1)C1CC1 837323626 PXILCUPFLGRDIO-MRXNPFEDSA-N 239.318 2.667 30 20 BFED O=C(C#CC1CC1)N1CCC[C@H]1C1CCCCC1 837353374 SWFRIMVVCIMUBT-HNNXBMFYSA-N 245.366 2.971 30 20 BFED C[C@H]1CCCC[C@@H]1CCNC(=O)C#CC1CC1 837421245 VMEJFUXVBYQRDE-GXTWGEPZSA-N 233.355 2.732 30 20 BFED C=CC(C)(C)C(=O)OCc1ccccc1[N+](=O)[O-] 837861966 KJSNRLYKRLLZFF-UHFFFAOYSA-N 249.266 2.850 30 20 BFED CC(C)(C)CC(=O)Oc1cccc(OCC#N)c1 841343063 UBUOPGJVXPXAIE-UHFFFAOYSA-N 247.294 2.931 30 20 BFED C=C(Cl)CN1CCC[C@@H](OC(C)C)C1 844376586 ARBHVNGZAYVOLK-LLVKDONJSA-N 217.740 2.628 30 20 BFED CC(C)(C)CCNN=Cc1ccc(O)cc1F 844589741 JRHZZXJHGFJDGF-UHFFFAOYSA-N 238.306 2.891 30 20 BFED COCCN(C)N=C1CCCCC[C@H]1C 844596247 NTCKABHPRHYYAQ-LLVKDONJSA-N 212.337 2.521 30 20 BFED C=C(C)CONC(=O)NC1(C)CCCCC1 845600015 XQLJGXVLHXHPOK-UHFFFAOYSA-N 226.320 2.516 30 20 BFED C=C[C@@H](C)ONC(=O)N(C)[C@@H]1CCC(C)(C)C1 845623835 SLEFPNUWSBKRAR-GHMZBOCLSA-N 240.347 2.713 30 20 BFED C=CCCOCC(=O)O[C@@H](CC)C(C)C 845851826 CSCMRLBQFGZDIX-NSHDSACASA-N 214.305 2.557 30 20 BFED C=C[C@H](C)ONC(=O)c1ccc(C)c(Cl)c1 846545014 LISRHFUXEVVHTA-VIFPVBQESA-N 239.702 2.884 30 20 BFED CCCC[C@](C)(F)C(=O)O[C@@H](C#N)CC 849846439 MWVVRLKAAUNWCD-KOLCDFICSA-N 215.268 2.750 30 20 BFED C=CC[C@H](C)NC(=O)Nc1ccc(N)c(C)c1 850779896 QNASMKGFKXLJHL-JTQLQIEISA-N 233.315 2.663 30 20 BFED CO[C@@H](C=NO[C@@H]1CCCCO1)C1CCCC1 853326401 ZJXCUPUQZYKXSR-QWHCGFSZSA-N 241.331 2.721 30 20 BFED COc1cc(C(C)=NOCC2CCC2)ccc1O 853439709 LWGZMSNOIUFSMA-UHFFFAOYSA-N 249.310 2.942 30 20 BFED CC(C)C#CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 854179104 OXFFWPITSZKUCY-RWMBFGLXSA-N 221.344 2.587 30 20 BFED C=CCC1(NC(=O)/C=C(/C)C2CC2)CCOCC1 855686118 UWDPWVWYWRKGJG-QXMHVHEDSA-N 249.354 2.584 30 20 BFED C#CCNN=C(CC)CCc1ccccc1 863118465 YKDBFGBAEFMDIA-UHFFFAOYSA-N 214.312 2.608 30 20 BFED N#Cc1ccc2c(c1)CCCCC2=NN1CCC1 872397777 SVUQINMGZWGXSN-UHFFFAOYSA-N 239.322 2.694 30 20 BFED C[C@H]1C[C@H]1C(=O)N(C)c1ccc(C#N)c(Cl)c1 876166363 RZCRFHLNKIEGIW-GZMMTYOYSA-N 248.713 2.830 30 20 BFED C=CC[C@@H]1CCCN(C(=O)NC[C@H]2C=CCC2)C1 883784194 OKLUWBNVPDGFKE-UONOGXRCSA-N 248.370 2.950 30 20 BFED C=CC(C)(C)CC(=O)OC1(C#N)CCC1 892834530 GKOOZAFOEXMOMO-UHFFFAOYSA-N 207.273 2.578 30 20 BFED C=CC1(OC(=O)c2ccc(OC)cc2)CC1 893365324 CMEAAFTZDARLDY-UHFFFAOYSA-N 218.252 2.571 30 20 BFED C=CC1(OC(=O)c2ccc(Cl)o2)CC1 893365603 PBQSJQJWGHFZDA-UHFFFAOYSA-N 212.632 2.808 30 20 BFED CC#CC[C@H](CO)N[C@@H](C)CCCC(C)C 895094133 ADMJSUFXFZGHCH-UONOGXRCSA-N 225.376 2.565 30 20 BFED C=CC(C)(C)Cc1nc(CC2CC2)no1 896011210 VYANVCWFPYEPQT-UHFFFAOYSA-N 206.289 2.777 30 20 BFED C=C1CC(c2noc(-c3cccc(C)n3)n2)C1 896885462 YQWICLHWZYGUID-UHFFFAOYSA-N 227.267 2.874 30 20 BFED C=CCCCc1nc(-c2cc(OC)ccn2)no1 897015596 JBDQLXUABALLIZ-UHFFFAOYSA-N 245.282 2.649 30 20 BFED CC1(C#N)CCC(NC/C=C/Cl)CC1 898429373 NWWZGFAGOYFTPU-FARCUNLSSA-N 212.724 2.801 30 20 BFED N#CC1(CCCCn2cnc([N+](=O)[O-])c2)CCC1 901452369 KONCMSVQIHGYTR-UHFFFAOYSA-N 248.286 2.655 30 20 BFED C=CCCCCCn1cc(C)c(C(=O)OC)n1 902600797 IAFLBSLSWUFUOR-UHFFFAOYSA-N 236.315 2.725 30 20 BFED C=CCN(C(=O)c1ccc2[nH]ccc2n1)C(C)C 906568734 VLKQXRZDWSYGOE-UHFFFAOYSA-N 243.310 2.600 30 20 BFED C=CCN(C)C(=O)CCCC(=O)c1ccccc1 907518620 NVDHNOZWKADULX-UHFFFAOYSA-N 245.322 2.684 30 20 BFED CCCCNN=Cc1ccc(OCC)cc1 915965969 HWYAKXFLYNESIW-UHFFFAOYSA-N 220.316 2.809 30 20 BFED Cc1cc(C)c(NN=Cc2cnn(C)c2)c(C)c1 917212187 UXGMANVDBGKLEA-UHFFFAOYSA-N 242.326 2.791 30 20 BFED C=CCNC(=S)N[C@H](CC)c1cccs1 917599038 APGWTQTXMQGVKR-SECBINFHSA-N 240.397 2.849 30 20 BFED C=CCOC(=O)c1ccc(OCC2CC2)cc1 920114571 LGRPQXDPXWQOOT-UHFFFAOYSA-N 232.279 2.818 30 20 BFED CCC[C@H](CC)C(=O)N1CCC[C@@H](C#N)C1 928233528 XCSKHKYIXYOHOJ-RYUDHWBXSA-N 222.332 2.575 30 20 BFED C#CCCN[C@@H](CC)c1cc(F)ccc1OC 932468067 GXGHIRJVKQZCDH-ZDUSSCGKSA-N 235.302 2.898 30 20 BFED C=CC[C@H](C)NC(=O)c1cc(C)cc(Cl)n1 933040655 JOMLPXBQMNEECQ-VIFPVBQESA-N 238.718 2.738 30 20 BFED CCCCC(CC)=NNCC1CCOCC1 1116083653 FKTFWYWZCSLQKQ-UHFFFAOYSA-N 226.364 2.959 30 20 BFED C=CCC[C@H]1CCCN1C(=O)NCCCC 1121712591 LXDACIXCMKCRMS-LBPRGKRZSA-N 224.348 2.927 30 20 BFED C=C(CC)C(=O)N1CCc2cccc(F)c2C1 1123677432 FYRKCICQZNTTCH-UHFFFAOYSA-N 233.286 2.677 30 20 BFED C=C(CC)C(=O)N[C@@H]1C[C@H]1c1cccc(OC)c1 1123898633 VISCXYIFQZNYFT-UONOGXRCSA-N 245.322 2.634 30 20 BFED Cc1cc(C#N)nc(-c2c(F)cccc2F)n1 1239572334 SUAPSLXXFHEZCS-UHFFFAOYSA-N 231.205 2.602 30 20 BFED C=C[C@H](C)NC(=O)Cn1cc(C)c2ccccc21 1252844962 XRHNLUMAQHTKJW-LBPRGKRZSA-N 242.322 2.640 30 20 BFED Cn1ccc(NN=C/C=C/c2ccc(F)cc2)n1 1255670788 PAJABLWKXXUJFS-GVJKYTSFSA-N 244.273 2.670 30 20 BFED C=CC[C@@H](C)NC(=O)c1cc(Cl)ncc1C 1262367702 CYFIKTBCNLRWAE-SECBINFHSA-N 238.718 2.738 30 20 BFED C#CCCCC(=O)O[C@@H](CC#N)c1ccco1 1263660874 RYCASPVRQZEONG-LBPRGKRZSA-N 231.251 2.581 30 20 BFED C[C@H]1CC(Nc2cccc(CC#N)n2)C[C@H](C)O1 1320655841 KEOLEQVBOZVGQE-QWRGUYRKSA-N 245.326 2.516 30 20 BFED CC/C=C/CNc1cccc(CC#N)n1 1324722700 YXHDYDPRHRKDHS-ONEGZZNKSA-N 201.273 2.526 30 20 BFED C=C[C@@H](COC)NC(=O)c1ccc(C(C)C)cc1 1325619402 FESQPDDBFYQMGQ-AWEZNQCLSA-N 247.338 2.741 30 20 BFED C=C(CC)COC(=O)c1ccc2c(c1)CCOC2 1327142738 SOWDWMKUNZEXDO-UHFFFAOYSA-N 246.306 2.882 30 20 BFED C=CCC[C@H](NCc1nc[nH]n1)c1ccccc1 1327521269 YVVHBVOHPSUHIX-ZDUSSCGKSA-N 242.326 2.602 30 20 BFED C[C@@H]1CN(CC2(C#N)CC2)Cc2ccccc21 1331109954 JGZTVBQPZBAWIT-GFCCVEGCSA-N 226.323 2.909 30 20 BFED C#CCC[C@@H](C)OC(=O)c1cc2ncccc2o1 1348648981 BWKZZXQYGAJMTP-SNVBAGLBSA-N 243.262 2.787 30 20 BFED Cc1ccc(C#N)cc1C(=O)Nc1nccs1 1352394927 RQYMOVVCUIBBMC-UHFFFAOYSA-N 243.291 2.576 30 20 BFED C=C(CC)C(=O)N[C@H](CC)[C@H](O)c1ccccc1 1520501711 KDTVSSVVXHLFQB-ZIAGYGMSSA-N 247.338 2.581 30 20 BFED C=CC[C@@H](C)NCc1ccc(C(=O)O)cc1F 1602837177 HTJLDTCSJBIRNH-SECBINFHSA-N 237.274 2.578 30 20 BFED C[C@@H](Nc1cc(F)ncn1)c1cccc(C#N)c1 1612894021 ICGRHGOULFGLNG-SECBINFHSA-N 242.257 2.660 30 20 BFED Cc1[nH]c(C#N)cc1C(=O)Nc1ccsc1C 1643513790 OGCFFTFUXDJLRJ-UHFFFAOYSA-N 245.307 2.817 30 20 BFED C=CCN(CCC(=O)O)CCC(C)(C)C1CC1 1776179422 VPYVDHBAYJPZHQ-UHFFFAOYSA-N 239.359 2.775 30 20 BFED C=CCSCC(=O)Nc1ccc(OC)cc1 6793625 PGQZHGHTOJJVPR-UHFFFAOYSA-N 237.324 2.553 30 20 BFED CN(Cc1cccnc1)Cc1ccccc1C#N 35141653 ONDWPNSDHACTCZ-UHFFFAOYSA-N 237.306 2.585 30 20 BFED C=C(Cl)COc1ccc([C@@H](C)O)cc1 35626420 GFMRGFIFILCFCP-SECBINFHSA-N 212.676 2.871 30 20 BFED C[C@H](NCC[C@H]1CCCO1)c1cccc(C#N)c1 38096439 VDPAUDOAZXVDDY-SWLSCSKDSA-N 244.338 2.778 30 20 BFED CC[C@H](CC#N)NC(=O)c1cccc(C)c1C 54177096 LPTPECKPDLYFJY-GFCCVEGCSA-N 230.311 2.726 30 20 BFED C#CCOC(=O)c1oc2ccccc2c1C 58823735 HOGXSMIZOIVIKR-UHFFFAOYSA-N 214.220 2.531 30 20 BFED C[C@@H](CC#N)N(C)C(=O)c1ccc2c(c1)CCC2 63094137 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492383871 CHEVZIQBTMITMA-GWSYSJSVSA-N 207.317 2.980 30 20 BFED N#CCN(C(=O)CC1CCCCCC1)C1CC1 495247966 LDVGTHMDEXXCMU-UHFFFAOYSA-N 234.343 2.861 30 20 BFED C=CCCCCN[C@H](CCO)C(C)(C)C 562703244 YFQZASDGDDYNMV-GFCCVEGCSA-N 213.365 2.729 30 20 BFED N#Cc1csc(CN2CCC[C@@H](F)C2)c1 566073003 HEBMYNHGWZJHDY-SNVBAGLBSA-N 224.304 2.554 30 20 BFED CC(C)(C)c1ccc(C#CC2CC2)nn1 585143941 UZSWRHNUOLIFIL-UHFFFAOYSA-N 200.285 2.536 30 20 BFED Cc1ncccc1NC(=O)CCCCCC#N 588160477 VGXWYKYGXCWARO-UHFFFAOYSA-N 231.299 2.803 30 20 BFED CCCC(C)(C)C(=O)Nc1cc(C#N)ccn1 593139601 LNWBUUMHHLURLH-UHFFFAOYSA-N 231.299 2.718 30 20 BFED CC[C@H](C#N)C(=O)N1CCC[C@H]1c1ccsc1 593406169 CLBGBBFWTFMFSE-PWSUYJOCSA-N 248.351 2.961 30 20 BFED CC[C@H](C#N)C(=O)N[C@@H]1CCc2cc(C)ccc21 593420309 MPSLTCQFVXPFEB-BXUZGUMPSA-N 242.322 2.648 30 20 BFED CC1(C)C[C@@]1(C)NC(=O)Nc1cccc(C#N)c1 596484176 KCCFSYNLNUOWNJ-CQSZACIVSA-N 243.310 2.868 30 20 BFED Cc1nsc(N(C)C[C@@H]2CC2(C)C)c1C#N 596567228 MNWNYRHPLKLQRB-VIFPVBQESA-N 235.356 2.806 30 20 BFED Cc1occc1CNC[C@H](C)CCC#N 602518195 LUBINDOFQPFJQK-SNVBAGLBSA-N 206.289 2.618 30 20 BFED CC[C@H](C)[C@@H](CN(C)CC(C)(C)C#N)OC 602675113 KCBYZTBZDNKPKB-NWDGAFQWSA-N 226.364 2.529 30 20 BFED C=C(CC)CN[C@H](C)CC1(C#N)CCOCC1 602681029 IHHOJSMJZSXTMX-CYBMUJFWSA-N 236.359 2.641 30 20 BFED CCCCc1ccc(C(=O)N(C)CC#N)cc1 608777459 DWNGQOJRLAFHGM-UHFFFAOYSA-N 230.311 2.625 30 20 BFED C=C(C)CN(C)C(=O)c1ccc(Cl)c(C#N)c1 611505411 SODUMVAIOMLJCK-UHFFFAOYSA-N 248.713 2.860 30 20 BFED C[C@@H](c1cccnc1)N1CCC[C@](C)(C#N)C1 612158953 PPWITDWVZYGUBU-GXTWGEPZSA-N 229.327 2.768 30 20 BFED C=C[C@](C)(O)C(=O)Nc1ccc(C2CCC2)cc1 614139824 RERPZWQDCCOHFA-HNNXBMFYSA-N 245.322 2.830 30 20 BFED CC[C@@H](N[C@@H](C)C(C)(C)O)c1ccc(C#N)cc1 618572707 BYJJRPBNERFSCX-SMDDNHRTSA-N 246.354 2.758 30 20 BFED N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCSC1 618805118 CYAOZHLWFZTERZ-TZMCWYRMSA-N 244.363 2.641 30 20 BFED C=CC[C@@H]1CCN(Cc2ccc3nc[nH]c3c2)C1 628405552 OHVKHDGNJATDEL-GFCCVEGCSA-N 241.338 2.961 30 20 BFED C=C[C@@H](C)N[C@H]1CCc2cc(OC)ccc21 631591015 TWFOXNBAELJPBI-YGRLFVJLSA-N 217.312 2.847 30 20 BFED C=CC(C)(C)C(=O)N[C@H](C)c1c(C)noc1C 648929776 DQBXAFYJOCAIPR-MRVPVSSYSA-N 236.315 2.681 30 20 BFED C=CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1C1CCC1 651351683 QATYAQZVPZMFIO-ADEWGFFLSA-N 207.317 2.503 30 20 BFED C=CC[C@H](CC)N[C@H]1CCCn2nccc21 658002519 VOJJGGPCSZQRCN-RYUDHWBXSA-N 219.332 2.662 30 20 BFED C=CCC(C)(C)CN[C@@H]1CCCn2nccc21 658023075 JJOLSSMNWQXHIC-GFCCVEGCSA-N 233.359 2.910 30 20 BFED C=C(C)CN(CC)Cc1cc(OC)ns1 659828527 FIFUIQFXFXPTHG-UHFFFAOYSA-N 226.345 2.550 30 20 BFED C=CC[C@@H]1CCCN(C(=O)NC2CCCC2)C1 660207113 WWCAXVDHAHCEJJ-GFCCVEGCSA-N 236.359 2.927 30 20 BFED C=CCCNC(=O)N[C@@H](C)CC(C)(C)C 661300572 SVWKGWWYDLLGLI-JTQLQIEISA-N 212.337 2.686 30 20 BFED C=CCCNC(=O)NCC1CCC(C)CC1 661571954 CAPBHLKIRCOFGZ-UHFFFAOYSA-N 224.348 2.688 30 20 BFED C=CC[C@H]1CCCN(CC[C@H]2CCCNC2)C1 662299809 XNPIUPDYYZGCFE-CABCVRRESA-N 236.403 2.664 30 20 BFED C=CC[C@H](C)NC(=O)[C@H](C)C1CCCC1 674093993 KFAQAEIPKYBXJE-WDEREUQCSA-N 209.333 2.894 30 20 BFED CCN(CC)C[C@@H](C)N[C@H](C)CC(C)(C)C#N 695840482 BSVWLNMFQVUAGY-CHWSQXEVSA-N 239.407 2.635 30 20 BFED CCN(C[C@H](C)C#N)C(=O)/C=C/c1cccs1 701159747 XGCGZCIVNDOCFI-XUIVZRPNSA-N 248.351 2.769 30 20 BFED C=C(Cl)CNCc1ccc(Cl)cn1 703884977 AREPQRALVLKDGE-UHFFFAOYSA-N 217.099 2.577 30 20 BFED C[C@@H](C#N)OC(=O)C[C@@H](C)c1ccccc1F 726843532 RDWCUNQEMSROSY-ZJUUUORDSA-N 235.258 2.775 30 20 BFED CCCCCCCC(=O)OCC(=O)CC 727187094 UYHBGXRDGNMDQX-UHFFFAOYSA-N 214.305 2.869 30 20 BFED CCC(CC)NN=C1CCc2c(O)cccc21 734365131 RTVZSOAMNURHET-UHFFFAOYSA-N 232.327 2.821 30 20 BFED C=CCCCOC(=O)c1ccc(OC)cc1O 735523231 GWOQCNPANRWIIH-UHFFFAOYSA-N 236.267 2.524 30 20 BFED C=C(Cl)CNC(=O)C[C@@H]1CCc2ccccc21 736245994 KDKAFBVLRBTXDP-LBPRGKRZSA-N 249.741 2.975 30 20 BFED CCCNN=C(C)c1cnn(-c2ccccc2)c1 746490486 YRQLPJFSUWPKRF-UHFFFAOYSA-N 242.326 2.596 30 20 BFED CCCCO[C@@H]1CC(=NNCCC)C1(C)C 747632685 GVWWKQHDHCJQDJ-GFCCVEGCSA-N 226.364 2.957 30 20 BFED CC(C)[C@H]1CCCC1=NNc1cnccn1 747751736 PCMKRTFKTUBRMJ-SNVBAGLBSA-N 218.304 2.701 30 20 BFED C[C@H]1CC(=NNCC(F)F)C[C@H](C)C1 747765242 XUQVEUZAWHCESK-HTQZYQBOSA-N 204.264 2.653 30 20 BFED C=CC[C@H](NC(=O)[C@H](C)C1CC1)c1ccncc1 747908481 VKSDFHJWKKWDNM-RISCZKNCSA-N 244.338 2.861 30 20 BFED CCC(CC)NN=Cc1cc(C#N)cs1 748076438 UYUJDPHWZWPOCX-UHFFFAOYSA-N 221.329 2.732 30 20 BFED CON=C1c2cccc(F)c2CC[C@@H]1C 748251905 YUOOTDSUMGUDOV-QMMMGPOBSA-N 207.248 2.759 30 20 BFED C=C(Cl)CNC(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 754200476 TUCYWEAJFRNKJJ-ATZCPNFKSA-N 244.766 2.863 30 20 BFED Cc1nc[nH]c1C=NNc1ccc(Cl)cc1 755461613 IQSHJMZBVNVGSL-UHFFFAOYSA-N 234.690 2.818 30 20 BFED CCCC=NNc1oc(C(C)C)nc1C#N 755675567 ZZXBQVOQKBKISZ-UHFFFAOYSA-N 220.276 2.867 30 20 BFED C#CC[C@@H](Nc1ncc(C)cn1)c1ccccc1 758190919 JURWKDYDVUCSBT-CQSZACIVSA-N 237.306 2.962 30 20 BFED C=CCC(CC=C)C(=O)O[C@@H]1CCCCC1=O 759008153 RGNFTOHIMVUAAE-CYBMUJFWSA-N 236.311 2.810 30 20 BFED C#CCCCC(=O)OCc1ccc(C)c(F)c1 759166033 FKPYESOACXKYBD-UHFFFAOYSA-N 234.270 2.981 30 20 BFED C#CCCCc1nc(-c2ccc(F)cc2)no1 762542347 RGORNCMFLCAQJI-UHFFFAOYSA-N 230.242 2.832 30 20 BFED CC#CC(=O)N(Cc1ccccc1)[C@@H](C)CC 764499024 KHUGIAPXFZUBSA-ZDUSSCGKSA-N 229.323 2.837 30 20 BFED Cc1cc(C(=O)O[C@@H](C#N)C(C)(C)C)c(C)n1C 765641987 ZMRXKUJRXZKKGW-LBPRGKRZSA-N 248.326 2.737 30 20 BFED C#CCCCN(CC)c1cccc(C#C)c1 766915857 INPPCMPFQIDLDQ-UHFFFAOYSA-N 211.308 2.908 30 20 BFED C#CCC(C)(C)C(=O)N[C@@H](C)c1c(C)noc1C 767078317 YDJHSWJQVLHERR-VIFPVBQESA-N 248.326 2.518 30 20 BFED C[C@@H](C=NN1CCCC1=O)CCc1ccccc1 769589614 NRSVTQHMFVVXHS-CYBMUJFWSA-N 244.338 2.864 30 20 BFED C#C[C@H](N[C@H](C)c1ccccc1)[C@H]1CCCO1 775575470 XJVBXMRZLQVTKA-VHDGCEQUSA-N 229.323 2.518 30 20 BFED CCCNN=Cc1cc(F)cc(Cl)c1 776724681 XBNWQHGBWQMUSV-UHFFFAOYSA-N 214.671 2.813 30 20 BFED CC(C)[C@@H]1CC(=NNCc2ccccc2)CCO1 776764442 OXTIYLACKYDALI-HNNXBMFYSA-N 246.354 2.967 30 20 BFED N#CCOC(=O)CCCCCc1ccc(F)cc1 778524043 HLPCJMQTNJWUAI-UHFFFAOYSA-N 249.285 2.995 30 20 BFED CCc1cccnc1C(C)=NNCC(C)C 779784413 LKJLXTJDTJPIKS-UHFFFAOYSA-N 219.332 2.614 30 20 BFED C(=NN=c1cc[nH]cc1)[C@@H]1CCc2ccccc21 779806770 GOMOQXUCACJDKI-ZDUSSCGKSA-N 237.306 2.631 30 20 BFED C#CC[C@H](NCC[C@H]1CCCO1)c1ccccc1 787278944 IIOMJATZIBQXIP-CVEARBPZSA-N 243.350 2.910 30 20 BFED CC1(C)CCC[C@H](C=NN[C@H]2CCOC2)C1 788452119 JNWQKNQMMQMYHX-RYUDHWBXSA-N 224.348 2.567 30 20 BFED CC(C)COC(=O)c1ccc(F)c(C#N)c1 792307301 XJHQTDKGOXYYQU-UHFFFAOYSA-N 221.231 2.510 30 20 BFED COCCN(C)N=C[C@H]1C(C)=CCC[C@H]1C 794972982 APMZSCSAPQJNBQ-OLZOCXBDSA-N 224.348 2.543 30 20 BFED C#CCN(Cc1ccccc1)C[C@H]1CCCCO1 796639477 CGIVCLSQKTYIML-MRXNPFEDSA-N 243.350 2.691 30 20 BFED CC[C@](C)(C#N)C(=O)OCc1cccc(F)c1 796832104 MNGZLUIWCIEVAK-CYBMUJFWSA-N 235.258 2.809 30 20 BFED CC#CC(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 801197251 ZKLXRVFNGSWAME-OLZOCXBDSA-N 221.344 2.731 30 20 BFED C=C(Cl)COC(=O)CCc1ccsc1 804244618 FPNAJXMBFPAVAJ-UHFFFAOYSA-N 230.716 2.976 30 20 BFED N#CCSCCCOC(=O)c1ccsc1 805349994 LENGOSVTPGEZSF-UHFFFAOYSA-N 241.337 2.552 30 20 BFED C#C[C@H](NC(=O)[C@H](C)c1ccc(C)o1)C(C)(C)C 807881223 CNLOPMBQLYCGMD-YPMHNXCESA-N 247.338 2.856 30 20 BFED C#CCCc1noc([C@H]2C[C@]2(C)C(C)C)n1 809396660 NGOGIFJJRRKQSK-ZWNOBZJWSA-N 218.300 2.785 30 20 BFED Cc1ccc(C=NNC[C@@H]2CCSC2)s1 811663071 YZNBKGWJUHJBND-JTQLQIEISA-N 240.397 2.733 30 20 BFED O=[N+]([O-])c1cccc(C=NOC/C=C\Cl)c1 811669606 QZKCGNZPOYIOAL-FGWSRQTMSA-N 240.646 2.698 30 20 BFED C#CCON=C(C)C1CCC(F)(F)CC1 812234285 WILKIIBQXXINSV-UHFFFAOYSA-N 215.243 2.838 30 20 BFED C[C@@H]1CN(C(=O)CCCC#N)Cc2ccccc21 812532118 ILQLUXAZDZPQPW-GFCCVEGCSA-N 242.322 2.826 30 20 BFED N#Cc1ccc(CNN=C2C[C@H]3CC[C@H]2C3)cc1 814880740 CTWWNNAEVSSWOU-KBPBESRZSA-N 239.322 2.824 30 20 BFED C[C@@H]1SCCC1=NNC1CCCCC1 814910461 WWFBVPTZRMDUKB-VIFPVBQESA-N 212.362 2.790 30 20 BFED N#C[C@@H]1CCCC(=NOC/C=C/Cl)C1 814934268 QIRYGBUNPJTQKU-ZKBXWBIESA-N 212.680 2.825 30 20 BFED C[C@H]1OCCC1=NNc1ccc(F)c(F)c1F 814945199 PXSKUXBXKDMQPT-ZCFIWIBFSA-N 244.216 2.681 30 20 BFED C=C(Cl)CN1CCc2c(C#N)cccc21 817284416 SWSDHMOIOMXWRT-UHFFFAOYSA-N 218.687 2.673 30 20 BFED CC[C@@H]1CCC[C@@H](C=NN[C@@H]2CCC[C@H]2O)C1 817335501 HONXZNULBXKYQA-AAVRWANBSA-N 238.375 2.692 30 20 BFED C[C@@H]1CCCC[C@H]1C(=O)OCC(C)(C)C#N 820556375 IAEJNGZJOMGDOM-GHMZBOCLSA-N 223.316 2.906 30 20 BFED C[C@H](CCC#N)N(C)C[C@](C)(O)c1ccccc1 823605570 LTALYFILAJJANT-HIFRSBDPSA-N 246.354 2.518 30 20 BFED C#CCOC(=O)C[C@@H](C)CCC=C(C)C 830097373 KQOQUWZWKFACOS-LBPRGKRZSA-N 208.301 2.935 30 20 BFED C#CC1CCN(Cc2ncc(Cl)s2)CC1 830345910 YPANCWYBUGJCBN-UHFFFAOYSA-N 240.759 2.642 30 20 BFED C=CCCC(=O)NCc1ccc2c(c1)C[C@@H](C)O2 830848801 SZMAZVJKPPXVKZ-LLVKDONJSA-N 245.322 2.592 30 20 BFED C#C[C@H](C)N(C)C(=O)C1[C@H]2CCCCCC[C@H]12 834552410 KCDNUWKOORBKJU-AVGNSLFASA-N 233.355 2.683 30 20 BFED C#CCCc1noc([C@@]2(C)CCC[C@H]2C)n1 834585386 OICYJZXAVVWLEV-MFKMUULPSA-N 218.300 2.713 30 20 BFED C#CCNN=C(CC(F)(F)F)c1ccccc1 835007690 CPJNYWHHDCLKGO-UHFFFAOYSA-N 240.228 2.566 30 20 BFED C=CCON=Cc1csc(C2CC2)n1 835015605 LQEHSRDWICHTDZ-UHFFFAOYSA-N 208.286 2.557 30 20 BFED CC(C)c1ncsc1C(=O)O[C@@H](C)CC#N 835160418 ZTGVMAINQNPKKH-QMMMGPOBSA-N 238.312 2.725 30 20 BFED C=CCCCCOC(=O)[C@@H](CCC)OC 835450336 UVVDLTFQNKNTJM-LLVKDONJSA-N 214.305 2.701 30 20 BFED C=CC(C)(C)COC(=O)COCC1CCCC1 835721078 GTSNYLQULJREDM-UHFFFAOYSA-N 240.343 2.949 30 20 BFED C#CCC[C@@H](C)OC(=O)c1ccccc1OC 839034567 RWSKTRWAZSQHLI-LLVKDONJSA-N 232.279 2.654 30 20 BFED C=C[C@](C)(CC)C(=O)O[C@H]1CCC(C)(C)C1=O 840477655 DPTPTLHLWLXFTD-IINYFYTJSA-N 238.327 2.890 30 20 BFED C=CCCC[C@H](C)OC(=O)c1nn(C)cc1C 840691262 KKUHVRBBGVQFPK-NSHDSACASA-N 236.315 2.630 30 20 BFED CCOc1ccc(/C=N\CC(C)(F)F)c(O)c1 840707996 ZHVQDLRIQLAGQS-CHHVJCJISA-N 243.253 2.865 30 20 BFED C=C(CC)CNC(=S)NC(C)(C)CC 840826547 NYWVCTHBGSKBNK-UHFFFAOYSA-N 214.378 2.605 30 20 BFED CCCC(=NN1CCOCC1)[C@@H]1CC1(C)C 841605952 VHCFICJOYNATEV-NSHDSACASA-N 224.348 2.521 30 20 BFED CO[C@@H](C=NNc1ccc(C)cn1)CC(C)C 841627242 NZQPDZLUIRVKDK-GFCCVEGCSA-N 235.331 2.849 30 20 BFED CCC[C@H](C)C(CC)=NN(C)C[C@@H](C)O 841650943 HZBFSRVTWSAVHB-WDEREUQCSA-N 214.353 2.501 30 20 BFED C=CCc1cc(C=NOCCC)cc(OC)c1O 842558201 VDMBSLGPOLODBI-UHFFFAOYSA-N 249.310 2.890 30 20 BFED C#C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccccc1 843636497 LATMXNNFNSVADN-LSDHHAIUSA-N 239.318 2.833 30 20 BFED C#CC1CCN(C(=O)[C@@H](C)[C@H](C)CC)CC1 843705858 UIPHWWRHUTWCSH-NEPJUHHUSA-N 221.344 2.540 30 20 BFED C=C(C)CONC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 844284821 XVTFENFRXORFLE-QJPTWQEYSA-N 240.347 2.618 30 20 BFED C=C[C@@H](C)ON=Cc1cccc2c1OCCCO2 844622845 CBVRBDAFIHKXCQ-LLVKDONJSA-N 247.294 2.773 30 20 BFED C=C(C)CONC(=O)N(C)[C@@H]1CCCC[C@H]1C 845593043 UIYJYQUEWCEKOP-VXGBXAGGSA-N 240.347 2.714 30 20 BFED C=C[C@@H](C)ONC(=O)NCC1(CCC)CCC1 845629253 IJMCMEKYFDIIMC-LLVKDONJSA-N 240.347 2.762 30 20 BFED C#C[C@@H](CC)OC(=O)C1CCC2(CC1)CC2 850954569 UWAYRADUCBITHO-LBPRGKRZSA-N 220.312 2.912 30 20 BFED C#C[C@](C)(CC)NCc1c(C)cc(C)nc1OC 852103919 VTKRMVIVQGCJPZ-OAHLLOKOSA-N 246.354 2.599 30 20 BFED N#Cc1cc(F)ccc1CON=CC1CC1 853735645 XLGWMUSYCHTLGU-UHFFFAOYSA-N 218.231 2.610 30 20 BFED C=C(Cl)CSCCCC(=O)NCCC 853783653 OPGGTITUNNERFK-UHFFFAOYSA-N 235.780 2.779 30 20 BFED CCC(C#N)(CC)C(=O)Oc1ccccc1 858187473 HHZDCGDTLYCODZ-UHFFFAOYSA-N 217.268 2.922 30 20 BFED C#CCCOC(=O)N[C@H](CCC)C(C)(C)C 859176985 ZSLVMEAYOHGWFQ-LLVKDONJSA-N 225.332 2.951 30 20 BFED C#CCN(C)Cc1nc2cc(C)ccc2s1 859275639 PREJHJGQAIURPO-UHFFFAOYSA-N 230.336 2.670 30 20 BFED C#CCCCCC(=O)Nc1cccc2c1OCC2 862692640 QOTJCPURIMLIOS-UHFFFAOYSA-N 243.306 2.754 30 20 BFED Fc1cccnc1NN=C1CCC[C@H]1F 872373083 YTXLUQJABIOCEJ-SSDOTTSWSA-N 211.215 2.511 30 20 BFED Fc1cccc(C2CC(=NN3CCC3)C2)c1 872397692 WCKCUFPYZQIBLS-UHFFFAOYSA-N 218.275 2.765 30 20 BFED C=CCC(F)(F)C(=O)OC1CCSCC1 873556069 QTYZCGBAHBFRRM-UHFFFAOYSA-N 236.283 2.637 30 20 BFED CCCCCCNCc1cccc(C#N)n1 876886824 ALBBWKNUNOLSBM-UHFFFAOYSA-N 217.316 2.623 30 20 BFED C=C1CCC(C(=O)OC[C@H](OC)C2CC2)CC1 885649555 BGQQMRSNKLWLIJ-ZDUSSCGKSA-N 238.327 2.701 30 20 BFED 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C=C[C@H](OC(=O)[C@H]1CO[C@H](C)C1)c1ccccc1 851452650 VPAVJFONZQGPQG-BNOWGMLFSA-N 246.306 2.882 30 20 BFED C#C[C@@](C)(CC)NCc1cccc2nsnc12 852102372 LVUPBGOMGIZYIQ-ZDUSSCGKSA-N 245.351 2.583 30 20 BFED N#CC[C@@H]1CCCN(CCCCCCCO)C1 852319401 LVTFJGMXTZARHE-AWEZNQCLSA-N 238.375 2.555 30 20 BFED CC1(C)C(=NN[C@H]2CCCOC2)[C@H]2CCC[C@H]21 853336216 SBQLVBYUKRRQQF-SDDRHHMPSA-N 236.359 2.567 30 20 BFED CO[C@H](C=NOC1CCC1)C1CCCC1 853348636 KOCSUEAEJMASHY-GFCCVEGCSA-N 211.305 2.747 30 20 BFED C[C@@H]1CCCCN1N=Cc1ccccc1[N+](=O)[O-] 853378293 BVAZZOAKDHDTPN-LLVKDONJSA-N 247.298 2.803 30 20 BFED Cc1cc(C=NN2CCCC[C@@H]2C)c(C)[nH]1 853380818 SYRYOMZTSYDFBZ-NSHDSACASA-N 219.332 2.840 30 20 BFED C[C@H]1CC(=NN2CCCC[C@H]2C)C[C@@H](C)O1 853381753 KSDMYTNXMFUHQB-UTUOFQBUSA-N 224.348 2.804 30 20 BFED COCc1ccc(C=NOCC2CCC2)cc1 853439740 PTSCPKLVBBRKBC-UHFFFAOYSA-N 233.311 2.984 30 20 BFED CC(=NOC[C@H]1CCCC[C@@H]1C)c1cnn(C)c1 853661173 QNQDTFHIBNRKCH-WCQYABFASA-N 249.358 2.987 30 20 BFED C#C[C@@](C)(CC)NC(=O)[C@@H](C)SCCCC 854701909 XIVVHAHPEVDCIR-YPMHNXCESA-N 241.400 2.826 30 20 BFED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@H]1CC(C)C2 856242474 DUYQECMKCOJGFT-QWRGUYRKSA-N 243.297 2.987 30 20 BFED CCCOc1ccc(NC(=O)CC#N)cc1C 863530253 VJMUNPMPDDBKDY-UHFFFAOYSA-N 232.283 2.636 30 20 BFED C=C(Cl)CNCc1cc(F)ccc1N(C)C 865470409 AGSWOWGKEDRNES-UHFFFAOYSA-N 242.725 2.734 30 20 BFED N#C[C@@H]1CC[C@@H](N2CCC=C(Cl)C2)C1 878791411 NIFKODIXUVBDLS-MWLCHTKSSA-N 210.708 2.507 30 20 BFED C[C@H](CC#N)NCc1ccc(CF)cc1 878821121 SDYCNIXKDNKRJQ-SNVBAGLBSA-N 206.264 2.548 30 20 BFED C=CC(C)(C)CC(=O)N[C@@H](COCC)C(C)C 879708589 AKNGIRVMTZMDGH-LBPRGKRZSA-N 241.375 2.766 30 20 BFED C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]1C1CCC1 880345875 IDHQNDRZQQLGTM-NWDGAFQWSA-N 221.344 2.894 30 20 BFED C[C@H]1COCC1=NNc1ccccc1Cl 884373120 CRYVRNBTEXBOES-QMMMGPOBSA-N 224.691 2.774 30 20 BFED C=CCCC(=O)COC(=O)CC(C)(C)C=C 884649556 HQCURIMMAGVBRV-UHFFFAOYSA-N 224.300 2.667 30 20 BFED C=C1CCC(C(=O)OCC[C@H]2CCOC2)CC1 885650170 YCJNHTPGAPGTTA-GFCCVEGCSA-N 238.327 2.703 30 20 BFED C[C@H](NCC1(CC#N)CC1)c1c(O)cccc1F 886605170 KYODYEPIYQTNPG-JTQLQIEISA-N 248.301 2.876 30 20 BFED C=C1CCC(C(=O)Nc2nc(C)ns2)CC1 889268687 DMCBZAOVZGREHV-UHFFFAOYSA-N 237.328 2.531 30 20 BFED C=CC(C)(C)CC(=O)O[C@H](COC)C1CC1 892870546 XIIGTEIBSNPOID-LLVKDONJSA-N 226.316 2.557 30 20 BFED C=CC1(OC(=O)/C=C\c2ccc(C)nc2)CC1 893364441 TURKJTUGEAWNCB-SREVYHEPSA-N 229.279 2.665 30 20 BFED C=CC1(OC(=O)c2ccc(NC(C)=O)cc2)CC1 893367285 YIMMYXUYSLJZBB-UHFFFAOYSA-N 245.278 2.520 30 20 BFED C=CCC[C@@H](CCC)NCc1cn(C)cn1 898043187 HOJRFWSQVLCZER-GFCCVEGCSA-N 221.348 2.645 30 20 BFED C#CCNc1cn(C)nc1C1CCCCC1 902215585 TYYJKHAESVMRGW-UHFFFAOYSA-N 217.316 2.513 30 20 BFED N#Cc1cccc(CSCCOC2CC2)c1 902577144 WDNXIFBVJIMUAT-UHFFFAOYSA-N 233.336 2.970 30 20 BFED C=C[C@@H](CC)CC(=O)OCc1conc1CC 909526169 VQMPRYONGJVZMY-JTQLQIEISA-N 237.299 2.883 30 20 BFED CC(C)=NNc1nc2cc(F)c(F)cc2[nH]1 912822685 JMXCVMIBYAHCRJ-UHFFFAOYSA-N 224.214 2.649 30 20 BFED C=CCNC(=S)N(CC)CCc1ccccc1 916024596 DDGVPDNROIHZBK-UHFFFAOYSA-N 248.395 2.612 30 20 BFED CCON=Cc1cccc(OC(C)C)c1 921257801 ULNQHZKJBCNPLH-UHFFFAOYSA-N 207.273 2.844 30 20 BFED C[C@H](CCC1CC1)NC(=O)N1CCC[C@H](C#N)C1 922019793 ODRDYFLFYLGVDU-DGCLKSJQSA-N 249.358 2.510 30 20 BFED CSCCCOC(=O)c1cc(C#N)ccc1C 924396280 VHUGNDWXEUHGIA-UHFFFAOYSA-N 249.335 2.777 30 20 BFED N#C[C@@H]1CCCN(CCCCC(F)(F)F)C1 932150394 HGPPIXVIKSNZQH-JTQLQIEISA-N 234.265 2.955 30 20 BFED C=C[C@H](CC)CC(=O)Nc1cnn(CCC)c1 933649085 WWJIDRFKWZNQTC-LLVKDONJSA-N 235.331 2.834 30 20 BFED C=C[C@@H](CC)CC(=O)NCC1(C)CCOCC1 934376176 WVRYJWSCFXSAER-LBPRGKRZSA-N 239.359 2.522 30 20 BFED C=C[C@@H](CC)CC(=O)Nc1cnc(O)c(C)c1 935097961 HQQPZNSOZKZGAN-JTQLQIEISA-N 234.299 2.636 30 20 BFED C=C(C)CCNC(=O)CN(C)CCCCCC 1117848033 QEXHEDNVAICQAE-UHFFFAOYSA-N 240.391 2.581 30 20 BFED C=C(CC)C(=O)N1CCc2c(cccc2OC)C1 1123783463 SWPZZBHSIVIYHT-UHFFFAOYSA-N 245.322 2.546 30 20 BFED C#Cc1ccc(NC(=O)C2(C)CCC2)cc1 1262351637 NJKFVDQFNYINTC-UHFFFAOYSA-N 213.280 2.797 30 20 BFED CC[C@H]1CC[C@@H]1NCc1cccc(OCC#N)c1 1324584142 DVUJGMOLNUQXLA-ZFWWWQNUSA-N 244.338 2.867 30 20 BFED Cc1cccnc1[C@H](C)NC(=O)CC(C)(C)C#N 1336255443 MMPAVMZYVWUIBE-NSHDSACASA-N 245.326 2.507 30 20 BFED CCn1ccnc1[C@@H](C#N)C(=O)CC1CCCC1 1344322132 ISFDNMWJWZSUCY-LBPRGKRZSA-N 245.326 2.660 30 20 BFED C=CCC[C@@H]1CCCN1C(=O)c1ccc(N)cc1 1514883074 MTZFFCSYDBSUIH-CQSZACIVSA-N 244.338 2.840 30 20 BFED C=CCCCCNCc1cccc2c1CCNC2 1574907233 DXHHLUKJELVJNH-UHFFFAOYSA-N 244.382 2.778 30 20 BFED N#CCCS[C@@H](C(=O)O)c1ccccc1F 1608183690 GGMZYSYUFCHBFH-SNVBAGLBSA-N 239.271 2.598 30 20 BFED C=CCCC1(C(=O)O)CCN([C@H](C)CC)CC1 1776168047 RARVAJRNSWIDLC-GFCCVEGCSA-N 239.359 2.918 30 20 BFED C=CCc1cccc(CN[C@H](C)[C@@H](C)C(=O)O)c1 1776187690 HHEMCRCPAWSVGZ-VXGBXAGGSA-N 247.338 2.614 30 20 BFED Cc1cc(OC[C@@H]2CO2)c2nc(C)ccc2c1 1887504101 YATWWQJLONIKCN-LBPRGKRZSA-N 229.279 2.629 30 20 BFED N#Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 3603835 GGTIWVFGBXVGRF-UHFFFAOYSA-N 247.257 2.682 30 20 BFED C#CCN[C@H](C)c1ccccc1OC(F)F 19875539 NDOOJEFARDVPNZ-SECBINFHSA-N 225.238 2.572 30 20 BFED CN(CCOc1cccc(C#N)c1)CC(C)(C)C 45073520 YKBZGJKPWZPUEI-UHFFFAOYSA-N 246.354 2.915 30 20 BFED C=CCNC(=O)N[C@H]1CCSc2ccccc21 45112368 JRAITTQKSYWYFM-NSHDSACASA-N 248.351 2.709 30 20 BFED C=CCn1c(SCCOC)nc2ccccc21 57864406 UKTKKCQFXINUAD-UHFFFAOYSA-N 248.351 2.961 30 20 BFED CCCCCC(=O)Nc1cc(C)nn1CCC#N 67660346 ZRIYCSHPVDFXBN-UHFFFAOYSA-N 248.330 2.624 30 20 BFED CC(C)(CCC#N)CNCc1nccs1 78052347 APFHFEFGFPSTRG-UHFFFAOYSA-N 223.345 2.563 30 20 BFED C=C(Cl)CN(CCC#N)Cc1ccco1 78666926 VVKYAGXGEFZAEM-UHFFFAOYSA-N 224.691 2.748 30 20 BFED CC[C@H](C#N)C(=O)N1CCC[C@@H](C(C)C)CC1 79343135 LHJNYLGQUOIUSZ-CHWSQXEVSA-N 236.359 2.821 30 20 BFED N#Cc1ccc(CNc2ccccn2)c(F)c1 83355236 DAUIHDZUYVHKPM-UHFFFAOYSA-N 227.242 2.704 30 20 BFED CCOC(=O)[C@]1(CC)O[C@@]1(C)CCC(C)C 86166057 ZHLFAXDILTUUCC-STQMWFEESA-N 228.332 2.923 30 20 BFED CN(CCOCC1CC1)c1ccc(F)cc1C#N 88558555 LWLGKYFQLTXGBP-UHFFFAOYSA-N 248.301 2.560 30 20 BFED C=CCNC(=O)NC[C@H](CC)CCCC 97206206 LQSZTHGZFNWFLW-LLVKDONJSA-N 212.337 2.688 30 20 BFED CCCCCCCC(=O)N[C@H](C#N)CC 103484202 SRXLJXZDLMIRNJ-NSHDSACASA-N 210.321 2.765 30 20 BFED C=CCCOC(=O)c1ccc(SC)o1 112484464 VVXBWSICSYTQJI-UHFFFAOYSA-N 212.270 2.734 30 20 BFED CC(C)[C@](C)(C#N)NC(=O)/C=C/c1ccccc1 120658884 ZIYJQYFVUOLYNO-FEAKQIBJSA-N 242.322 2.754 30 20 BFED C[C@H]1CCC[C@](C#N)(NC(=O)C2=CCCC2)C1 125018178 IJXRECDLNLUCIC-FZMZJTMJSA-N 232.327 2.685 30 20 BFED Cc1cc(CNCCCCC#N)c(C)o1 127614581 MHTNTSJBRDWEFX-UHFFFAOYSA-N 206.289 2.680 30 20 BFED C[C@@H]1CC[C@@H](CNc2cccc(F)c2C#N)O1 127773811 PTXVAGAZUOLNMC-ZJUUUORDSA-N 234.274 2.677 30 20 BFED C[C@@H](NCC(C)(C)C#N)c1ccsc1 129224013 JUELBORFHAKLEX-SECBINFHSA-N 208.330 2.948 30 20 BFED C[C@H](NCc1ccc(C#N)cc1)C1CCC1 135509329 PBVKSFAAZXRAST-NSHDSACASA-N 214.312 2.836 30 20 BFED CC[C@](C)(C#N)C(=O)NCC1CCC(C)CC1 136248864 ATBNGRDIVGEGOZ-ORHYLEIMSA-N 236.359 2.869 30 20 BFED CCc1sc(=O)n(CC#N)c1-c1ccccc1 151139658 MSZMFROFPNMELQ-UHFFFAOYSA-N 244.319 2.663 30 20 BFED CC#CCCSCc1c(C)noc1C 154853853 GJQBTALSPURACY-UHFFFAOYSA-N 209.314 2.938 30 20 BFED C=C[C@H](C)N[C@H]1Cc2ccc(Cl)cc2C1 157274192 NUMCMVMULAQIME-ZANVPECISA-N 221.731 2.971 30 20 BFED CC(C)(C)[C@@H]1CCN(c2cccnc2C#N)C1 159720507 HINXJSGHMMIXDN-LLVKDONJSA-N 229.327 2.826 30 20 BFED CO[C@H](CNc1nc(C)ccc1C#N)C(C)(C)C 161653925 OUOYKYGLSMXHJI-GFCCVEGCSA-N 247.342 2.735 30 20 BFED C=C(Cl)CN[C@@H](C)C[C@H]1CCCCCN1 167752601 SQJVASBEZMCVJF-NWDGAFQWSA-N 230.783 2.639 30 20 BFED C=CCN(CC=C)C(=O)[C@@H](OC)c1ccccc1 179073130 OQFBCDQTUGIRJW-AWEZNQCLSA-N 245.322 2.575 30 20 BFED C#CCCCCC(=O)N1Cc2ccccc2C1 179913646 WGRSRPSHNWBSFO-UHFFFAOYSA-N 227.307 2.722 30 20 BFED C[C@H](C#N)Oc1ccccc1N[C@@H]1CCSC1 180203785 AVDLUXYXVKMMLZ-GHMZBOCLSA-N 248.351 2.895 30 20 BFED C=CCCC[C@H](C)NC(=O)N[C@H](C)CC=C 180796485 BGSKIZSPFFROSC-NEPJUHHUSA-N 224.348 2.995 30 20 BFED CSCCCCCCNC(=O)C(C)(C)C#N 181833346 SIBQBXDUEKVINY-UHFFFAOYSA-N 242.388 2.576 30 20 BFED COc1cccc(C(=O)OCC2(C#N)CCC2)c1 183871694 QUDAKLZFFAHSMT-UHFFFAOYSA-N 245.278 2.546 30 20 BFED C=CCCCN[C@](C)(CC(=O)OCC)C(C)C 186680855 DAUMRMOJNWDUDC-CQSZACIVSA-N 241.375 2.910 30 20 BFED C=CCN(C)C(=O)NC1C[C@@H](C)C[C@H](C)C1 186800186 OTJTZUPVPGPAEC-QWRGUYRKSA-N 224.348 2.639 30 20 BFED C[C@@H](c1cccc(C#N)c1)N1CCSCC1 187403124 VBQPALNAEROYPF-NSHDSACASA-N 232.352 2.668 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)C[C@H]1C=CCCC1 188389530 LOFMBLSSDVNBEI-STQMWFEESA-N 234.343 2.741 30 20 BFED C[C@H]1CC[C@H](COc2ccccc2C#N)O1 188520989 VQTYNTUEWHLGSN-CMPLNLGQSA-N 217.268 2.505 30 20 BFED CC(C)c1nc(CSCCCC#N)no1 190940896 BTMBDMGYZXNFLA-UHFFFAOYSA-N 225.317 2.730 30 20 BFED C=CCN(CCOC)Cc1ccc(C)s1 191757587 IISRQYYAVCYFAA-UHFFFAOYSA-N 225.357 2.691 30 20 BFED C[C@H](CC#N)NC(=O)/C=C/c1ccc(Cl)cc1 194721425 LUCTWDGOIZGIKT-LJJSCBMDSA-N 248.713 2.772 30 20 BFED Cc1cnc(CN[C@@H](C)c2cccc(C#N)c2)o1 223731708 BEINOAUKPGUFRD-NSHDSACASA-N 241.294 2.706 30 20 BFED C#C[C@H](CCC)NC(=O)CCCCCC 232908007 UQLILHPAGDTWNE-GFCCVEGCSA-N 209.333 2.875 30 20 BFED N#C[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]3OCC[C@H]32)C1 248734947 DNQFFUWDJQMWKU-FQKPHLNHSA-N 248.370 2.616 30 20 BFED COCC/N=C\c1c(O)ccc2ccccc12 255217571 QTHCCSQQNXXHDD-GDNBJRDFSA-N 229.279 2.611 30 20 BFED CN(CC#N)c1cccc(OC(F)(F)F)c1 264077181 NLCWJWOGTKHWMR-UHFFFAOYSA-N 230.189 2.545 30 20 BFED Cc1cc(C(=O)N(C)C[C@@H](C)C#N)cc(C)c1F 271071962 XUFRDRYVQJAZNO-VIFPVBQESA-N 248.301 2.674 30 20 BFED C[C@@H](NCCCC#N)c1ccc2c(c1)COC2 273298709 UJECCCBZQKOQAM-LLVKDONJSA-N 230.311 2.671 30 20 BFED C=CCN(C)C(=O)c1ccn(C(CC)CC)n1 275065479 XMYKVNNOZODPPF-UHFFFAOYSA-N 235.331 2.502 30 20 BFED Cc1ccc(CCNC(=O)CC(C)(C)C#N)cc1 279184853 DFVUGJQVXIUEIA-UHFFFAOYSA-N 244.338 2.594 30 20 BFED C#C[C@H](NC(=O)c1ccc2[nH]ccc2c1)C(C)C 281908575 GMJLAAUBEACLCV-ZDUSSCGKSA-N 240.306 2.556 30 20 BFED CCc1cc(C#N)ccc1OC(=O)C(C)(C)F 282108515 MYOUUCBTURUPCW-UHFFFAOYSA-N 235.258 2.774 30 20 BFED C=CCCCCN[C@H](C)c1cc(C)n(C)n1 282909577 XGGYCAMUHLZXDM-GFCCVEGCSA-N 221.348 2.735 30 20 BFED C=CCC[C@@H](NC[C@@H](C)CO)c1ccco1 286013593 JJFOJPKBYINIGO-VXGBXAGGSA-N 223.316 2.505 30 20 BFED CCC(=O)COc1cc(Cl)cc(C#N)c1 287463521 HLKHERWQHVXRCB-UHFFFAOYSA-N 223.659 2.570 30 20 BFED C=C[C@@H](CO)N[C@H]1CCC(C)(C)c2ccccc21 289593687 CDMBMBIDDSDBJB-WFASDCNBSA-N 245.366 2.936 30 20 BFED C=CCCCCCCNCc1ncc[nH]1 289944240 BJQRLBYRULUQQH-UHFFFAOYSA-N 207.321 2.636 30 20 BFED Cn1cc(CN2CCC[C@H](C3CC3)C2)cc1C#N 290235518 UCCCYLSHPSOLGP-AWEZNQCLSA-N 243.354 2.519 30 20 BFED N#CCCCC(=O)Nc1nc2ccccc2s1 290920957 HPUWUXOGVNGRFF-UHFFFAOYSA-N 245.307 2.929 30 20 BFED Cc1nc(N2CCCC[C@H]2C)ccc1C#N 291662473 OYITXHYQEQACPT-SNVBAGLBSA-N 215.300 2.641 30 20 BFED CN(OCc1ccccc1)[C@@H]1CC[C@H](C#N)C1 293749592 IOAXYXRHROQGEL-UONOGXRCSA-N 230.311 2.742 30 20 BFED CC1(C#N)CN(Cc2cc(F)cc(Cl)c2)C1 297360074 GRMWMBWKZSBVPY-UHFFFAOYSA-N 238.693 2.825 30 20 BFED C[C@H](O)CSCC#Cc1ccc(Cl)cc1 298259499 OCSQQSSFWFYRND-JTQLQIEISA-N 240.755 2.806 30 20 BFED C#C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])C(C)C 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217.259 2.503 30 20 BFED C=CCC(C)(C)C(=O)N1CCS[C@H](C)[C@H]1C 334520105 WTSNFNKUZJIRCF-GHMZBOCLSA-N 241.400 2.941 30 20 BFED N#CC1(CN2CCSC[C@@H]2C2CC2)CCC1 334625862 AYRKCSSEXSCMOQ-GFCCVEGCSA-N 236.384 2.508 30 20 BFED C[C@H]1CCC[C@@H](C(=O)NCC2(C#N)CCC2)C1 334898348 OQQHBJAQUCYUAV-NWDGAFQWSA-N 234.343 2.623 30 20 BFED Cc1ccc(-c2noc([C@]3(C#N)C[C@@H]3C)n2)cc1 334899952 WGVHMPJAYJMYAJ-HZMBPMFUSA-N 239.278 2.846 30 20 BFED C=C(C)CNC(=O)Nc1ccc(F)c(F)c1C 334903186 CFNPBGFFUFUXHE-UHFFFAOYSA-N 240.253 2.971 30 20 BFED C[C@@H]1C[C@H](Nc2cccc(Cl)c2C#N)CO1 335432214 AHSGBWRZTBGROW-BDAKNGLRSA-N 236.702 2.801 30 20 BFED Cc1ccc(C#N)c(N2[C@H]3CCC[C@H]2CC3)n1 335565421 YFRCBFCEQGOLFT-STQMWFEESA-N 227.311 2.783 30 20 BFED N#Cc1cc(F)cc(OCc2nccs2)c1 335568957 INPPDIYWKKUOAY-UHFFFAOYSA-N 234.255 2.733 30 20 BFED C[C@@H](N[C@@H]1COC(C)(C)C1)c1ccc(C#N)cc1 335658464 XSZLSRCSDVSJLH-RISCZKNCSA-N 244.338 2.776 30 20 BFED N#Cc1ccc(N2CC=C(c3ccccc3)C2)nc1 335952754 JRUABSJBKJLLRD-UHFFFAOYSA-N 247.301 2.857 30 20 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2.948 30 20 BFED CC[C@H]1CCC[C@H](C=NNC2CCOCC2)C1 783855915 VBZMOUOEEBYGMP-STQMWFEESA-N 238.375 2.957 30 20 BFED C=CCCCCCOC(=O)c1cc(C)nc(O)c1 784565034 MHEMCQZXNDSVRX-UHFFFAOYSA-N 249.310 2.999 30 20 BFED CCC(Cc1ccc(C)cc1)=NN[C@@H]1CCOC1 788438530 DMJOQLBYQCXNIX-OAHLLOKOSA-N 246.354 2.682 30 20 BFED C#CCOC(=O)c1ccccc1CSCC 789100917 YEFPIPXWJLWDPV-UHFFFAOYSA-N 234.320 2.730 30 20 BFED CC[C@@H](C)NN=C(C)c1ccc(OC)cc1 790188041 DGCWGXVAOKQKOE-SNVBAGLBSA-N 220.316 2.807 30 20 BFED Cc1cccnc1NN=C1CN(C(C)C)C[C@H]1C 790193341 CUVHHRSOKFHRLN-GFCCVEGCSA-N 246.358 2.518 30 20 BFED Cn1cnc(/C=C2\CCc3ccccc3C2=O)c1 798231457 HQXAKZLLYBZWQR-XYOKQWHBSA-N 238.290 2.633 30 20 BFED Cn1cnc(/C=C2/CCCC(C)(C)C2=O)c1 800794743 OZLLGTKVGCWABH-YFHOEESVSA-N 218.300 2.583 30 20 BFED CC[C@@](C)(C#N)C(=O)O[C@H](C)c1ccncc1 803785789 TXHBHWBUBILORP-MFKMUULPSA-N 232.283 2.626 30 20 BFED C#C[C@@H](C)NC(=O)Nc1ccc(CCC)cc1 806152104 NZRUXSHSPHVDHR-LLVKDONJSA-N 230.311 2.782 30 20 BFED Cc1cc([N+](=O)[O-])ccc1NN=CC(C)C 807990140 VYJOUENRHXWUIN-UHFFFAOYSA-N 221.260 2.957 30 20 BFED C=CCCCCOC(=O)c1cncc(F)c1 811010660 DIFQGVYPSJLEJR-UHFFFAOYSA-N 223.247 2.734 30 20 BFED C(=NOCCC1CC1)c1ccc(-c2cc[nH]n2)o1 814246650 UTQLZZNFZXHEFO-UHFFFAOYSA-N 245.282 2.820 30 20 BFED C=CCC(C)(C)C(=O)OC[C@@]1(C)C[C@H]1F 822149767 HIMVDBOUPMWGTP-BXKDBHETSA-N 214.280 2.880 30 20 BFED CC[C@@H]1CCCN(C(=O)C#Cc2cccs2)C1 824947852 MPDQLPRZHLKRFJ-GFCCVEGCSA-N 247.363 2.748 30 20 BFED C/C(=C\C(=O)N[C@](C)(C#N)C(C)C)c1ccco1 824982676 DFYQFCUOEQWZRP-BMGYJQCNSA-N 246.310 2.737 30 20 BFED C#C[C@H](NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1)C(C)C 831176429 VGMAAGASONMFOJ-FQUUOJAGSA-N 235.371 2.833 30 20 BFED CC(C)c1ccccc1C(=O)NCCCC#N 832023403 YTIJVPZJPSOXHW-UHFFFAOYSA-N 230.311 2.844 30 20 BFED CC(=NNc1cccc(C(=O)O)c1)c1ccc[nH]1 833387162 RETWNJHGFZZRLE-UHFFFAOYSA-N 243.266 2.549 30 20 BFED C=CCCc1noc(C[C@H](C)C2CC2)n1 834815717 XUVFPJJGEQCNOS-VIFPVBQESA-N 206.289 2.777 30 20 BFED C[C@H]1CC(=NN[C@H]2C[C@H]3CC[C@H]2C3)C[C@@H](C)O1 834968439 LKKAYTOBTZWJBX-ZUDIRPEPSA-N 236.359 2.708 30 20 BFED CCC[C@@H](C=NOCCC(F)(F)F)OC 834972372 NVJDANHOAHUTLP-QMMMGPOBSA-N 227.226 2.756 30 20 BFED C[C@@H]1CC=C(C(=O)O[C@H](C#N)C2CC2)CC1 835195968 MGHKFPLKUVQESQ-BXKDBHETSA-N 219.284 2.578 30 20 BFED CC(C)(C)C#CC(=O)N[C@@H]1CCC(C)(C)C1 837508897 WXIZNTNNLAJEKH-LLVKDONJSA-N 221.344 2.731 30 20 BFED Cc1csc(COC(=O)C#CC(C)(C)C)n1 838371733 BNWLXIPGZANZJO-UHFFFAOYSA-N 237.324 2.544 30 20 BFED C#CCC[C@H](C)OC(=O)C12CCC(CC1)C2 839038035 AZZVPJCHADPVTI-DCBWTQNWSA-N 220.312 2.912 30 20 BFED C#CCC[C@@H](C)OC(=O)[C@H](C)C(C)(F)F 839040296 MFDCMWXRINNJKF-BDAKNGLRSA-N 218.243 2.623 30 20 BFED CCC(=NOC[C@@H]1CCOC1)[C@H]1CC1(C)C 841638600 SMHLQVGWUKBJDH-GHMZBOCLSA-N 225.332 2.852 30 20 BFED CCC(=NN[C@H]1CCOC1(C)C)[C@H]1CC1(C)C 841641866 XNSTYWUZDMDKQP-PWSUYJOCSA-N 238.375 2.956 30 20 BFED C#C[C@H](OC(=O)[C@@](C)(CC)OC)c1ccccc1 842363993 QULPAACVXXHBJF-DZGCQCFKSA-N 246.306 2.719 30 20 BFED C=C[C@H](C)ONC(=O)NCCC1CCCCC1 844285919 NCEVIDOVOVXHRE-NSHDSACASA-N 240.347 2.762 30 20 BFED C=C[C@H](C)ON=C(C)c1ccncc1CC 844621456 HJCHHEYEQYYNJT-JTQLQIEISA-N 218.300 2.959 30 20 BFED C=CCCC[C@H](C)NC(=O)NO[C@H](C)C=C 845625197 SVTNGUOIDSJQFJ-WDEREUQCSA-N 226.320 2.537 30 20 BFED C=C[C@H](C)ONC(=O)C12CC3CC(CC(C3)C1)C2 846543318 OAAUMQZWJQPOIC-OWWVKFPZSA-N 249.354 2.825 30 20 BFED C=C[C@H](C)ONC(=O)[C@@](C)(CC)CCC 846553650 FKLMVBDCNURFPP-JQWIXIFHSA-N 213.321 2.825 30 20 BFED COc1cccc(O)c1/C=N\[C@@H]1C=CCC1 849170359 ONDIZIDCLKQFHK-AHEVQNHNSA-N 217.268 2.538 30 20 BFED C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1C[C@H]1C 851205754 JOTCMTUCRJQTBV-OPRDCNLKSA-N 209.289 2.514 30 20 BFED C#CCOCCN1CCC[C@@H]1CCCCC 851817559 GEHFBDBLKQFHJI-AWEZNQCLSA-N 223.360 2.681 30 20 BFED C#CCN(Cc1ccccc1)[C@@H]1CC[C@H](OC)C1 852046903 XEPLICYUOWYGCY-CVEARBPZSA-N 243.350 2.689 30 20 BFED C#CC[C@@H](NC(=O)NCCC=C)c1ccccc1 852227362 BZWBARUMDIOFEL-CQSZACIVSA-N 242.322 2.626 30 20 BFED CC[C@H]1COCC1=NNc1cc(F)cc(F)c1 853291447 DAYMETQFOYCIHY-QMMMGPOBSA-N 240.253 2.789 30 20 BFED CC(C)n1ccnc1C=NNCC1(C)CCCC1 853348817 NBNKLBSJVPJGAP-UHFFFAOYSA-N 248.374 2.968 30 20 BFED CO[C@H]1CCCC(=NN2CCCC[C@H]2C)C1 853381441 CSZUXXRJUFXNKK-YPMHNXCESA-N 224.348 2.806 30 20 BFED C#C[C@@](C)(CC)NC(=O)c1cc(Cl)cs1 854702680 WKTAKXPMDXOKRT-NSHDSACASA-N 241.743 2.933 30 20 BFED C=CC[C@H](C)NC(=O)/C(=C/c1ccccc1)OC 857128253 GDUVFFBRVJAWIW-PBBNAPBQSA-N 245.322 2.755 30 20 BFED C#C[C@@H](OC(=O)COC(C)C)c1ccc(C)cc1 860963751 CCLAFKHGEKXYKQ-CQSZACIVSA-N 246.306 2.638 30 20 BFED CCCCCCCC(=O)N1C[C@@H]2C[C@H]2C1 862550925 OTSOWHQTQXYLPJ-RYUDHWBXSA-N 209.333 2.825 30 20 BFED CCCCCCCNC[C@H](O)CC(C)(C)C#N 863560704 PFFYBTPVLBTHQV-CYBMUJFWSA-N 240.391 2.847 30 20 BFED CC1(CNN=C2CC[C@@H]3C[C@H]23)CCCC1 872376000 BNMWMLVTWWHVDN-MNOVXSKESA-N 206.333 2.942 30 20 BFED C#CCCCCCCNCC1SCCS1 877638928 SHZKLLZMJGJCOX-UHFFFAOYSA-N 243.441 2.966 30 20 BFED C=CC(C)(C)CC(=O)NCCCOC(C)C 878002145 OTXRWPZGWITMPP-UHFFFAOYSA-N 227.348 2.520 30 20 BFED C=CCC(CC=C)C(=O)NC[C@@H]1C=CCC1 881496622 YRSGLMRZCPLHTB-GFCCVEGCSA-N 219.328 2.837 30 20 BFED Cc1ccc(N2C[C@@H](C)C[C@@H](C)C2)c(C#N)n1 881735410 JHSYVBXNBIOIHL-PHIMTYICSA-N 229.327 2.744 30 20 BFED C=CC1(OC(=O)c2ccc(Cl)nc2C)CC1 893359000 PGNAVNRTZMGXPK-UHFFFAOYSA-N 237.686 2.919 30 20 BFED C=CC1(OC(=O)c2ccoc2Cl)CC1 893364211 OAZJADOOUKCHHX-UHFFFAOYSA-N 212.632 2.808 30 20 BFED CCn1cc(/C=C\C(=O)c2cncs2)c(C)n1 899357598 KYRMBIBKTWDFGV-PLNGDYQASA-N 247.323 2.564 30 20 BFED C=CC[S@@](=O)[C@H](C)c1ccc(F)cc1 905165538 IYVKUYVZTXIEBL-YMTOWFKASA-N 212.289 2.821 30 20 BFED C=CC(C)(C)CNC[C@H](O)c1cccc(C)c1 905271177 BMZNXZAKIGNTKR-AWEZNQCLSA-N 233.355 2.830 30 20 BFED Cc1cc(Cl)ccc1NN=C1CCOC1 905512511 ZOJIDAILDFMFSD-UHFFFAOYSA-N 224.691 2.837 30 20 BFED CCCCOC(=O)c1ccc(C#N)cc1OC 910248319 XWHJIDAVSZNPOX-UHFFFAOYSA-N 233.267 2.524 30 20 BFED C=CC(C)(C)CC(=O)Nc1cc(C)cc(O)n1 910586609 KYRCWLVLNBNXCP-UHFFFAOYSA-N 234.299 2.636 30 20 BFED C=C(C)CN/C(=N/CCCC)NC(C)(C)C 912496678 BBCMOUXMCSEPPY-UHFFFAOYSA-N 225.380 2.696 30 20 BFED CCCCCCCCN[C@@H](C)c1cnnn1C 925302333 BQPQWWGVEMVZDW-LBPRGKRZSA-N 238.379 2.826 30 20 BFED C#CCN(C(=O)[C@H]1C[C@]1(C)C(C)C)C(C)C 928626061 NOSGNJLIEYCBSH-TZMCWYRMSA-N 221.344 2.539 30 20 BFED C=C(C)CNC(=O)Nc1cc(C)nc(Cl)c1 934212199 PHNJWBBLYVDLOH-UHFFFAOYSA-N 239.706 2.741 30 20 BFED CC[C@H](C#N)OC(=O)c1cc(C)n(C2CC2)c1C 1116691324 JZXDLJGLPBGGBL-GFCCVEGCSA-N 246.310 2.899 30 20 BFED CC(F)(F)CCNc1cccc(CC#N)n1 1117756960 MXOFUGUQSJLCOT-UHFFFAOYSA-N 225.242 2.605 30 20 BFED C=C[C@@H](CC)CC(=O)OC[C@H](C)SC 1122961818 HITGTXOALDYKEO-UWVGGRQHSA-N 216.346 2.883 30 20 BFED C=C[C@H](C(=O)NC[C@H]1C[C@@H]1C)c1ccccc1 1123499964 ZGOGUQOHIRBNMX-YUTCNCBUSA-N 229.323 2.728 30 20 BFED C=CCC[C@H]1CCCN1C(=O)c1ccncc1F 1262655044 ZYRJORPFHXUVKL-NSHDSACASA-N 248.301 2.792 30 20 BFED N#CCc1cccc(NC[C@H]2CCCSC2)n1 1325267177 UFULVGTWLFBACX-LLVKDONJSA-N 247.367 2.703 30 20 BFED C=CCCCC[C@@H](C)NCC[C@H](C)NC 1326036044 OJLGKPBIZGMQNS-QWHCGFSZSA-N 212.381 2.709 30 20 BFED Cc1cc(C=NNc2ccc(F)cc2F)ncn1 1327773519 QEZPHJFULOLFPI-UHFFFAOYSA-N 248.236 2.509 30 20 BFED N#CC1(CC(=O)OCc2ccon2)CCCCC1 1328045604 OWLYPPJIQBWOJW-UHFFFAOYSA-N 248.282 2.582 30 20 BFED C=C[C@@H](COC)NC(=O)[C@@H](CCC)CC(C)C 1330591821 IGPYXNSXSRVVEX-STQMWFEESA-N 241.375 2.766 30 20 BFED CC(=O)OCSc1ccc(C#N)cc1Cl 1333431114 QOXZWCMUVRRUNV-UHFFFAOYSA-N 241.699 2.824 30 20 BFED C=C[C@H]1CCCCN1Cc1cnc(CC)o1 1334224671 HMEQBHGUYKKCKC-NSHDSACASA-N 220.316 2.778 30 20 BFED C=CCC[C@H]1CCCN1C(=O)[C@H](C)SC 1336760429 RPXZLMCJCGTWSN-QWRGUYRKSA-N 227.373 2.695 30 20 BFED CCCc1[nH]ccc1C(=O)O[C@@H]1CC[C@H](C#N)C1 1342623886 UVXVGTLPBMRMBU-WDEREUQCSA-N 246.310 2.816 30 20 BFED Cc1cc(F)ccc1NN=CC[C@H](C)C(=O)O 1600234364 WUAQNVOMMYSARH-QMMMGPOBSA-N 238.262 2.643 30 20 BFED C=CC[C@@H](Nc1cc(C)c(OC)cc1C)C(=O)O 1602845673 SVUHBOWGVBOCTJ-LLVKDONJSA-N 249.310 2.753 30 20 BFED Cc1ccc(OCC2(C#N)CCC2)cc1C(=O)O 1607813589 SRYQLEJCKSWTSM-UHFFFAOYSA-N 245.278 2.766 30 20 BFED Cc1ccc(C#N)cc1NC(=O)C1CCCC1 49489981 MIVRSTVRZGCXCA-UHFFFAOYSA-N 228.295 2.995 30 20 BFED C[C@@H](CC#N)NC(=O)c1cc2ccccc2s1 50337100 BDUQZOFLDSDOBW-VIFPVBQESA-N 244.319 2.933 30 20 BFED CC(C)[C@H](C#N)NC(=O)c1ccc(Cl)cc1 57528111 VUCVAJJNSISUSR-NSHDSACASA-N 236.702 2.618 30 20 BFED CCC[C@H](C(=O)N(CC)CC#N)c1ccccc1 68916304 GDTMAVIFKOHIFL-AWEZNQCLSA-N 244.338 2.942 30 20 BFED Cc1noc(C)c1[C@@H](C)Nc1ncccc1C#N 72946754 UIFROBSELMSYBK-MRVPVSSYSA-N 242.282 2.731 30 20 BFED CCC[C@H](O)CNc1c(Cl)cccc1C#N 78252377 XHLUMLYFHYEDEK-JTQLQIEISA-N 238.718 2.785 30 20 BFED C=CC[C@@H](C)Nc1ncc(C)cc1[N+](=O)[O-] 78664675 AYTJLKVVZUUHGS-SECBINFHSA-N 221.260 2.675 30 20 BFED N#Cc1ccc(Cn2ccnc2C2CC2)cc1 82739040 GEGJMYCFKMNFPP-UHFFFAOYSA-N 223.279 2.680 30 20 BFED C=CCN(CC=C)C(=O)NCCCC(C)C 97427870 REXPRHBGWPRFJW-UHFFFAOYSA-N 224.348 2.806 30 20 BFED C=CC1CCN(CCC(=O)OCCCC)CC1 111693216 KTNTWYXMQNIOEX-UHFFFAOYSA-N 239.359 2.618 30 20 BFED C=CC[C@H](C)NCc1cnn(-c2ccccc2)c1 116926961 PKZADMLUKJAFCP-ZDUSSCGKSA-N 241.338 2.927 30 20 BFED CC#CCNC(=O)c1ccc(O[C@H](C)CC)cc1 120881323 YHZNDRQGESYEDG-GFCCVEGCSA-N 245.322 2.617 30 20 BFED C=C[C@H](C)N[C@@H]1CCc2ccc(F)cc21 122975486 ZDXDNDTZXOANQD-TVQRCGJNSA-N 205.276 2.977 30 20 BFED C=CCC[C@@H](C)Nc1cccc(C(N)=O)c1 126902334 GXHYDJDJOLHVCF-SNVBAGLBSA-N 218.300 2.552 30 20 BFED C#CCSCCN[C@@H]1CCCC[C@@H]1C 130018331 YCDHLGKTTFBYJZ-NWDGAFQWSA-N 211.374 2.521 30 20 BFED C[C@H](CNC(=O)C1(C#N)CCC1)c1ccccc1 134708081 PMEIJQKSDVMRLA-GFCCVEGCSA-N 242.322 2.600 30 20 BFED C=C(Cl)CNC(=O)Nc1ccc(F)cc1F 134874885 PRAUUQBJDOTCRO-UHFFFAOYSA-N 246.644 2.839 30 20 BFED C=C[C@@](C)(CC)C(=O)NCCOC1CCCC1 134964940 TVSKIKLFJBABTL-AWEZNQCLSA-N 239.359 2.664 30 20 BFED C[C@@H](Nc1ncc(F)cn1)c1ccc(C#N)cc1 135390535 ADQJZLPCHRNZAL-SECBINFHSA-N 242.257 2.660 30 20 BFED CCCN(CCC)C(=O)[C@@](C)(C#N)CC 136162702 FIBNHIYJQYXWDY-GFCCVEGCSA-N 210.321 2.575 30 20 BFED N#Cc1ccc(N2C[C@H]3CCC[C@H]3C2)c(F)c1 148326479 POSZEZDWEGEYCT-TXEJJXNPSA-N 230.286 2.934 30 20 BFED CCCC[C@H](CC)CC(=O)NC1(C#N)CC1 160947249 NKBACPYAUGGTNU-NSHDSACASA-N 222.332 2.765 30 20 BFED C#CCCCN[C@@H](C)c1nc(C)cs1 163087770 HVXDCTQZIPKHJY-JTQLQIEISA-N 208.330 2.516 30 20 BFED CCCCCCCC(=O)N1CC[C@@H]([C@H](C)N)C1 163293290 XLNISZSAMMSRPQ-QWHCGFSZSA-N 240.391 2.543 30 20 BFED Cc1ccc(C(=O)NCC(C)(C)C#N)cc1C 167202745 VZZYSDPMJXIHIG-UHFFFAOYSA-N 230.311 2.583 30 20 BFED C[C@H](CC#N)N(C)Cc1cc(-c2ccco2)on1 171760942 QPQPWNDSMHOARD-SNVBAGLBSA-N 245.282 2.669 30 20 BFED CCn1cc(/C=C2/Cc3ccccc3C2=O)cn1 171805438 UNYONIXJVMVJTC-QPEQYQDCSA-N 238.290 2.725 30 20 BFED C=CCOc1ccc(OC(=O)[C@@H]2C[C@@H]2C)cc1 173524813 XIEQJPVTANVRDU-GXFFZTMASA-N 232.279 2.813 30 20 BFED C#CCCCNC(=O)NC[C@H]1CCC[C@H](C)C1 174107267 YKYYUFAZGQYUNM-STQMWFEESA-N 236.359 2.525 30 20 BFED CC#CCOC(=O)C(C)(C)c1ccccc1 174347970 IGQXWVBSLWBQNR-UHFFFAOYSA-N 216.280 2.531 30 20 BFED C#CCCCN[C@@H]1CCCc2nc(C)sc21 178059744 GUVARUCULZNGDN-LLVKDONJSA-N 234.368 2.832 30 20 BFED C#CCCCN[C@H]1CCC[C@@H](C2CC2)C1 178059841 CXLSFXQUEHHMBB-KGLIPLIRSA-N 205.345 2.958 30 20 BFED C=CCCCN(CCC#N)Cc1ccccn1 178382874 IGTIRRWXPLFVDL-UHFFFAOYSA-N 229.327 2.763 30 20 BFED C#CCCSc1nnc(-c2ccccc2)n1C 179255236 DBMOBFSEAZQCFC-UHFFFAOYSA-N 243.335 2.598 30 20 BFED C=C(C)CN(C)Cc1cn2ccccc2c1C#N 181297463 DYGWMHIMHITYDZ-UHFFFAOYSA-N 239.322 2.819 30 20 BFED CC#CCNC(=O)[C@H](C)CCCc1ccccc1 181566955 XTVWWNMHDLSTRZ-CQSZACIVSA-N 243.350 2.785 30 20 BFED CCCCSCCC(=O)N[C@H](CC)CC#N 183815087 OFPMOMTZSVBCEP-LLVKDONJSA-N 242.388 2.718 30 20 BFED Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)co1 187071719 VRCUIZYLTNPBRH-YGRLFVJLSA-N 246.310 2.790 30 20 BFED CC(C)(C#N)C(=O)NCc1ccc(C2CC2)cc1 191327019 VKJORBGREZWXCR-UHFFFAOYSA-N 242.322 2.730 30 20 BFED N#Cc1ccc(/C=C/c2ccc(C#N)cn2)cc1 193445752 SDEQJDIOIZWAEI-FNORWQNLSA-N 231.258 2.995 30 20 BFED C#CCCOC(=O)N1CCC(C(C)C)CC1 201297355 DCFRHCGMWFBYQH-UHFFFAOYSA-N 223.316 2.514 30 20 BFED N#Cc1cc(Cl)nc(NCC2CCC2)c1 215406882 IPITUUACMDKJIT-UHFFFAOYSA-N 221.691 2.819 30 20 BFED CCOC1CC(N[C@@H](C)c2cccc(C#N)c2)C1 224410900 GHQQCVFVFSDLHC-QGLTVNCISA-N 244.338 2.776 30 20 BFED 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30 20 BFED C[C@H](C(=O)[C@@H](C#N)c1ccccn1)c1ccco1 744024991 FWBVKWSIXQYLFN-QWRGUYRKSA-N 240.262 2.655 30 20 BFED CCC/C(C)=C\C(=O)OCC1(CC#N)CC1 744276722 KLNKEYMJUGFFTG-LUAWRHEFSA-N 221.300 2.970 30 20 BFED Cc1ccc(Cl)cc1C(=O)O[C@H](C)C#N 753449098 XQXBPYLZUPPCNH-MRVPVSSYSA-N 223.659 2.717 30 20 BFED C#CCN(C[C@H]1C[C@H]1C)C1CCCCC1 754099432 ADPDGTGWOOWSET-CHWSQXEVSA-N 205.345 2.910 30 20 BFED C=C(Cl)CNC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 754200520 TUCYWEAJFRNKJJ-FXPVBKGRSA-N 244.766 2.863 30 20 BFED CCC/C(C)=C\C(=O)N[C@H](C#N)C(C)(C)C 754392051 MOIFQHIQMPYOTC-HIJJYWJESA-N 222.332 2.787 30 20 BFED CCC/C=C/C(=O)N1CCc2ccc(C#N)cc21 757543478 KKKVROCQMWTPSN-SNAWJCMRSA-N 240.306 2.804 30 20 BFED C1CCN([C@@H]2CCCCC2=NNC2CC2)CC1 758128448 YOKPHGNVCCRBQG-CQSZACIVSA-N 235.375 2.523 30 20 BFED CC(CC1CC1)=NNc1ncccc1[N+](=O)[O-] 759201672 RXKQHGDHGULKEM-UHFFFAOYSA-N 234.259 2.578 30 20 BFED C#CCCN1CC[C@H]1c1cccc(F)c1 760845284 ZXTDWSXGEDGOQA-ZDUSSCGKSA-N 203.260 2.596 30 20 BFED 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N#CC1(CN[C@@H]2CCC23CCC3)CCC1 602699075 QJYDCNRNZDQHIC-LLVKDONJSA-N 204.317 2.603 30 20 BFED CCc1cnccc1[C@@H](C)NCC1(CC#N)CC1 602804754 JOGKJIPCTPDTBV-GFCCVEGCSA-N 243.354 2.988 30 20 BFED C=CCC[C@@H](O)CN[C@H](C)c1cccc(C#N)c1 611389009 PEJUTWUKZJCGEI-IUODEOHRSA-N 244.338 2.536 30 20 BFED N#C[C@@]1(F)CCN(CCCCC(F)(F)F)C1 615636243 XRPYAPCZQPLUBE-VIFPVBQESA-N 238.228 2.657 30 20 BFED C=CCC1(NC(=O)c2cc[nH]c2C)CCCC1 619108467 XDHOMMYLVDIGOB-UHFFFAOYSA-N 232.327 2.942 30 20 BFED C=C(C)CCc1noc(-c2conc2C)n1 624607208 IVVSZFINQANWSM-UHFFFAOYSA-N 219.244 2.542 30 20 BFED C=C(C)C(C)(C)C(=O)N[C@@H](CO)CCC(C)C 628714162 BQPIKXJYLOLHQY-GFCCVEGCSA-N 241.375 2.502 30 20 BFED C=CC[C@@H]1CCN(Cc2cc(C)c(C(=O)O)o2)C1 629366655 RHDACUYZWOMDOI-LLVKDONJSA-N 249.310 2.684 30 20 BFED CC#CCN(C)C(=O)Nc1ccsc1C 640463202 IGDSBCIPKDJYOF-UHFFFAOYSA-N 222.313 2.544 30 20 BFED C=C(CN[C@H]1CCC[C@@H](N)C1)c1ccccc1 656198466 WLLOVXFSRXMTLK-CABCVRRESA-N 230.355 2.559 30 20 BFED C=CC[C@@H]1CCCN(Cc2cnc(N)s2)C1 656787887 YGIOVDJVMNRFDW-SNVBAGLBSA-N 237.372 2.513 30 20 BFED C=CCn1nnnc1SCCCC1CCC1 657246765 FGAAUVAOBCOTQI-UHFFFAOYSA-N 238.360 2.532 30 20 BFED C=CCCN[C@H](C)c1ccc(C(=O)N(C)C)cc1 658113491 HNKUIMWTAMIPKK-GFCCVEGCSA-N 246.354 2.615 30 20 BFED C=CC[C@@H]1CCCN(c2ccnc(C)n2)C1 664253706 RFZSTUVTIWFAII-GFCCVEGCSA-N 217.316 2.578 30 20 BFED C=C(C)CN1CCC(N[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 667837270 NZIHGCKHTHDMJN-VNQPRFMTSA-N 248.414 2.805 30 20 BFED C=CCn1c([C@@H](C)CC)nnc1N1CC=CCC1 685556210 KXDMCLXDGYHGBV-LBPRGKRZSA-N 246.358 2.744 30 20 BFED C=CCCCCCCN[C@H]1COC[C@@H]1C 688024609 XMQCUNCGZUIHTG-STQMWFEESA-N 211.349 2.747 30 20 BFED C#CC(=O)N(C)Cc1cccc(Cl)c1Cl 692866486 JRZRQWMAMPGCKV-UHFFFAOYSA-N 242.105 2.585 30 20 BFED CCCCCCCNC(=O)COC(C)(C)C 703738334 DFMCFHSTIPZCIY-UHFFFAOYSA-N 229.364 2.888 30 20 BFED C=C[C@H](CO)N[C@H]1CCCC[C@@H]1c1ccccc1 717522127 SLDNZVJQSSIOPI-OAGGEKHMSA-N 245.366 2.849 30 20 BFED C(=NNCCCOc1ccccc1)c1ccco1 729148256 WFBVBFXQMBECES-UHFFFAOYSA-N 244.294 2.672 30 20 BFED C=C1CCN(C(=O)/C=C(\C)CCC)CC1 731196980 NNWQGSGKOQAOLR-ZRDIBKRKSA-N 207.317 2.911 30 20 BFED CCC(=NNCc1ccccc1)[C@@H]1CCOC1 741837055 HACLQIZIYCBMOL-CYBMUJFWSA-N 232.327 2.579 30 20 BFED CC#CCOC(=O)/C=C(/C)c1ccccc1 744827296 AXVBKFADHUPPSH-QXMHVHEDSA-N 214.264 2.656 30 20 BFED C=CCOC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C 753505987 WDUBOZTXFZPZCV-UHFFFAOYSA-N 249.310 2.992 30 20 BFED C=C(C)[C@@H](CC(=O)OCC(C)C)OCC 756472335 WVGZJWVNPYQTCU-LLVKDONJSA-N 214.305 2.557 30 20 BFED C=CCNC(=S)N[C@H](CCCC)C1CCC1 756801890 RRLKJMPDBSFVSX-GFCCVEGCSA-N 240.416 2.995 30 20 BFED C#CC[C@H](NCc1ccncc1)c1ccccc1 756995033 CGBDRTJPBXYITE-INIZCTEOSA-N 236.318 2.936 30 20 BFED CCC(=NNc1cccc(F)c1)c1ccn(C)n1 758107887 CXASGCAMGHBVPA-UHFFFAOYSA-N 246.289 2.785 30 20 BFED Clc1ccc2c(c1)C(=NNC1CC1)CCO2 758133628 QXIHZXUDLMBJIR-UHFFFAOYSA-N 236.702 2.579 30 20 BFED C[C@H]1C[C@@H]1C=NNCCCOc1ccccc1 758369621 HUBXOCGDZWDYQQ-QWHCGFSZSA-N 232.327 2.687 30 20 BFED Cc1cc(C)c(C=NNc2cnn(C)c2)cc1C 761869950 NWIFORVHWSMJHF-UHFFFAOYSA-N 242.326 2.791 30 20 BFED CC[C@@H](CC#N)NC(=O)[C@H](C)c1ccc(C)o1 762723358 VVRPMLDVYSRFPE-MNOVXSKESA-N 234.299 2.500 30 20 BFED C[C@H](CC(=O)N1CCCC(C)(C)[C@H]1C#N)C1CC1 765122796 VEUSEHKOWGEXGB-DGCLKSJQSA-N 248.370 2.963 30 20 BFED C=CCOCC(=O)OCCCCc1ccccc1 768036962 FEBVXYWCWKOIGT-UHFFFAOYSA-N 248.322 2.755 30 20 BFED C#C[C@H](C)N(C)CCc1ccccc1CC 769978059 OGWNWCAHVZPQEA-ZDUSSCGKSA-N 215.340 2.745 30 20 BFED CC1(C)CCCC[C@@H]1NN=Cc1ccccn1 773124032 ILQAFCJKXJMENL-ZDUSSCGKSA-N 231.343 2.974 30 20 BFED CC1(C)CCCC[C@@H]1NN=Cc1cccnc1 773126571 UVPCJXJBHHJQJG-ZDUSSCGKSA-N 231.343 2.974 30 20 BFED C=C(CC)COC(=O)Cc1csc(CC)n1 773500559 XUMCFFURMRJGQV-UHFFFAOYSA-N 239.340 2.757 30 20 BFED CCCc1cccc(C=NNC2CC2)c1 774411622 XJCTVOTYZYDWAN-UHFFFAOYSA-N 202.301 2.725 30 20 BFED C=CCCCN1CC[C@](O)(c2ccc(F)cc2)C1 777738010 QXXRYALQCBDYGH-OAHLLOKOSA-N 249.329 2.685 30 20 BFED COc1ccc(NN=Cc2sccc2C)nc1 780268994 ZCGXRAVNRPNXJS-UHFFFAOYSA-N 247.323 2.906 30 20 BFED C=CCCC(=O)Nc1ccc2c(c1)C[C@H](OC)C2 784216227 AUITWEAKRBVFJX-CQSZACIVSA-N 245.322 2.705 30 20 BFED C=C[C@H]1CCCCN1Cc1ccc(F)nc1 787311943 YPKLJNYHMWHLME-LBPRGKRZSA-N 220.291 2.761 30 20 BFED COc1cccc(C=NNc2ccc(F)cc2)n1 790141808 VCWGADRTEYTSGW-UHFFFAOYSA-N 245.257 2.675 30 20 BFED CC[C@@H](C)NN=Cc1ccc(N2CCCCC2)o1 790183933 PNMJREMVHDBIGX-GFCCVEGCSA-N 249.358 2.992 30 20 BFED CCC(=NNc1nccn1C)c1cccc(F)c1 790299630 GNJLMXQKHMMDLQ-UHFFFAOYSA-N 246.289 2.785 30 20 BFED C#C[C@@H](CCC)NC(=O)[C@@H](C)SCCCC 791197712 RMISLKGDDOSLPZ-NEPJUHHUSA-N 241.400 2.826 30 20 BFED Cc1nc(C=NNCC2(C)CCCC2)cs1 793084629 QZMJYWQILOMSGU-UHFFFAOYSA-N 237.372 2.955 30 20 BFED FC(F)(F)CCNN=C/C=C\c1ccco1 794547243 HJSJZOMEXLXGJR-BYCNIEHJSA-N 232.205 2.821 30 20 BFED Fc1cccc(NN=C[C@H]2CC=CCC2)n1 795005929 GECXUGDSHCVEIM-JTQLQIEISA-N 219.263 2.975 30 20 BFED CCc1cccc(C)c1NN=C(C)COC 799493766 ONLOVRNGNZAQEM-UHFFFAOYSA-N 220.316 2.992 30 20 BFED C=CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccncc1 799718639 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CCOC1CC(=NNc2ccc(OC)cc2)C1 814884863 BRIGXFFVJALNJS-UHFFFAOYSA-N 234.299 2.662 30 20 BFED C[C@@H](O)CNN=Cc1ccc(C2CCCC2)cc1 814961351 ZXUCPVMAIMPWHT-GFCCVEGCSA-N 246.354 2.649 30 20 BFED C=CC[C@@H](C)[C@H](C)NCc1ccc(C(=O)O)o1 825660110 SZPQDHKMPXVDFQ-ZJUUUORDSA-N 237.299 2.668 30 20 BFED C[C@H]1CC(=NNc2ccncn2)C[C@H](C)C1 835002750 SOYUDXLSMLHJLV-NXEZZACHSA-N 218.304 2.701 30 20 BFED Cc1ccc(CNN=C[C@@H]2C[C@H]2C)cc1 835009180 SJKFHKRKXHPICZ-YPMHNXCESA-N 202.301 2.726 30 20 BFED C=CC(C)(C)C(=O)OCCOC(C)(C)C 835248779 VCOHUBMBQHIRNE-UHFFFAOYSA-N 214.305 2.557 30 20 BFED CC(C)[C@@H]1CN(C(=O)C#CC2CC2)[C@@H]1C(C)C 837685398 SLNMTGHWVADISN-DZGCQCFKSA-N 233.355 2.539 30 20 BFED C=CC(C)(C)C(=O)OCC(=O)CC(C)(C)C 837862666 VPGXBNLOTZDGSG-UHFFFAOYSA-N 226.316 2.747 30 20 BFED CC(C)(C)OCCCCOC(=O)C#CC1CC1 838366330 ACVIIEJTWWTZPE-UHFFFAOYSA-N 238.327 2.538 30 20 BFED C=CCONC(=O)N(C1CC1)[C@H](C)[C@@H](C)CC 838706310 NRERNOWNNJXLJZ-WDEREUQCSA-N 240.347 2.713 30 20 BFED C#Cc1cccc(NCc2cnc(C3CC3)nc2)c1 839014086 YHDLELLNSASCNM-UHFFFAOYSA-N 249.317 2.947 30 20 BFED C#CCC[C@H](C)OC(=O)c1cc(C)n(C(C)C)n1 839040085 KIXSMMFSNPLTJD-LBPRGKRZSA-N 248.326 2.731 30 20 BFED C#CCC[C@H](C)OC(=O)c1cccc(CC)n1 839043851 OEFNJMWBVOFJLJ-NSHDSACASA-N 231.295 2.603 30 20 BFED CC[C@@H](CC#N)NCc1ccc(N(C)C)cc1C 840938894 HUIQMPUHBGESDP-AWEZNQCLSA-N 245.370 2.843 30 20 BFED CC[C@@H](C)NN=C(C)c1cccc2c1OCO2 841637712 JUCUODMFTRHJRU-SECBINFHSA-N 234.299 2.527 30 20 BFED C=C(C)CN(C)CCN(C)c1ccc(OC)cc1 844399044 DWALQXWUHSWQCL-UHFFFAOYSA-N 248.370 2.639 30 20 BFED C=C[C@H](C)ONC(=O)Nc1ccc2c(c1)CCC2 844487044 BIEDHPXGJXTXHR-JTQLQIEISA-N 246.310 2.803 30 20 BFED C=C[C@@H](C)ON=Cc1ccc(OC)c(OC)c1C 844624234 HIQMJPFGMQDJMQ-SNVBAGLBSA-N 249.310 2.937 30 20 BFED C=CCCCOC(=O)[C@@H]1C[C@H]1C1CCC1 845222533 LUWGDOYRKJZMIT-NWDGAFQWSA-N 208.301 2.932 30 20 BFED C#C[C@H](NCc1cc2cnccc2o1)C(C)C 845971332 FTXWMJDZOASBHM-ZDUSSCGKSA-N 228.295 2.575 30 20 BFED C=C[C@H](C)ONC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 846553740 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Cc1ccccc1C[C@@H](C)C(=O)O[C@@H](C)C#N 859783942 ARANSGAVIQJFTI-NEPJUHHUSA-N 231.295 2.629 30 20 BFED CC(C)OCCON=C1CCCc2ncccc21 872376825 SFPJBGJEYJGBOZ-UHFFFAOYSA-N 248.326 2.564 30 20 BFED C=CC(C)(C)CC(=O)N1Cc2ccc(O)cc2C1 880828482 UFWOEUZSWBFXDC-UHFFFAOYSA-N 245.322 2.837 30 20 BFED C=C/C=C\CCN[C@@H]1CCC[C@@H](C#N)C1 883269008 XYQCRZXIOQFMNV-FGTRRKKMSA-N 204.317 2.791 30 20 BFED N#C[C@@H]1CC[C@H](Nc2nccc3cccnc23)C1 884537334 XYLWAZZAWWZLKM-PWSUYJOCSA-N 238.294 2.734 30 20 BFED C=CC(C)(C)CC(=O)OCc1ccn(CC)n1 884649275 YESQLOJIDPXYST-UHFFFAOYSA-N 236.315 2.549 30 20 BFED C#CCC(C)(C)C(=O)Nc1cccc(CC)c1O 885642840 RUPZIRIHNCYSSE-UHFFFAOYSA-N 245.322 2.943 30 20 BFED C#Cc1ccc(N[C@@H]2CCN(C)[C@@H](C)C2)cc1 898499115 NYTIGLPOZHADLB-SWLSCSKDSA-N 228.339 2.563 30 20 BFED C=C1CN(C(=O)c2cccc(C(C)C)c2)C1 898706448 ZUHGGYPVCQSCCJ-UHFFFAOYSA-N 215.296 2.822 30 20 BFED C/C=C/C=C/C(=O)NCCC#C[Si](C)(C)C 912335672 GUNBNODYALPEQQ-WEYXYWBQSA-N 235.403 2.506 30 20 BFED CC[C@@H](C)C(C)=NNc1cncc(Cl)n1 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30 20 BFED CC[C@H]1CCN(C(=O)C2(C#N)CC(C)C2)[C@@H]1C 1634529489 CGTQRDUFLNEKOS-BEVNXUHPSA-N 234.343 2.573 30 20 BFED CC[C@H](C)CN1CC(Oc2ccc(C#N)cc2)C1 1658298495 CHIQWLKWGBTTAL-LBPRGKRZSA-N 244.338 2.667 30 20 BFED Cc1nocc1NC(=O)Nc1sccc1C#N 1673282388 FXMJMZDZPHEJEF-UHFFFAOYSA-N 248.267 2.560 30 20 BFED Cc1ccoc1C(=O)Nc1ccc(C#N)cc1 19442219 AFIOBPXVDHAWAP-UHFFFAOYSA-N 226.235 2.712 30 20 BFED Cc1nc(CNc2ccc(C#N)cc2)cs1 20253051 FUQNNFVAYPUHCJ-UHFFFAOYSA-N 229.308 2.935 30 20 BFED CC(C)(C#N)NC(=O)c1cc2c(s1)CCCC2 40221147 XZBUEYHULCQEAM-UHFFFAOYSA-N 248.351 2.659 30 20 BFED N#Cc1ccc(CNC(=O)c2cccs2)cc1 43749270 KZWNPAWLCJDMMA-UHFFFAOYSA-N 242.303 2.550 30 20 BFED C=C(C)CN(CC)C(=O)NCc1ccccc1 70739557 LMKUGAUNGRGGKP-UHFFFAOYSA-N 232.327 2.794 30 20 BFED Cc1ccc(CN(C)[C@@H](C)CC#N)s1 76342167 BBXBALQLZIPYRP-VIFPVBQESA-N 208.330 2.791 30 20 BFED N#Cc1c(F)cccc1NCCOC1CCC1 78517140 CKXNASVJIKDBFR-UHFFFAOYSA-N 234.274 2.678 30 20 BFED Cc1ccc(C)c(OCCCN(C)CCC#N)c1 78646110 LYRHYMHRJBCAGY-UHFFFAOYSA-N 246.354 2.918 30 20 BFED N#Cc1cccc(N2CC[C@H](c3ccccc3)C2)n1 80118713 DEIFCVJTTTXTCH-AWEZNQCLSA-N 249.317 2.947 30 20 BFED N#CCN(Cc1ccccc1C#N)C1CCCC1 80214871 PWTKRHBHEUXLQF-UHFFFAOYSA-N 239.322 2.826 30 20 BFED CCSCCN(CCC#N)Cc1ccccn1 81213340 QABHFCCCJYQPKC-UHFFFAOYSA-N 249.383 2.550 30 20 BFED CC(C)[C@H]1CCCN(C(=O)C2(C#N)CCC2)CC1 83795425 UGNPOKIQSPUFPL-ZDUSSCGKSA-N 248.370 2.965 30 20 BFED CC[C@H](C#N)OC(=O)c1ccc(C)c(F)c1 84712746 GRBVUSNDUJWDCV-SNVBAGLBSA-N 221.231 2.593 30 20 BFED C[C@@]1(CNc2ccc(C#N)cc2)CCCO1 87254211 MZNBEUQUKZODBI-ZDUSSCGKSA-N 216.284 2.539 30 20 BFED C[C@]1(CNc2ccnc(C#N)c2)CCCS1 87793942 RYUQSSXYVWFADZ-GFCCVEGCSA-N 233.340 2.651 30 20 BFED CCCCNc1cc(C#N)ccc1[N+](=O)[O-] 90367473 RWLAOMKRUKQPAV-UHFFFAOYSA-N 219.244 2.678 30 20 BFED N#Cc1ccc(-c2cnc3ccccn23)cc1 91691893 KMLHPZYUFMGBJR-UHFFFAOYSA-N 219.247 2.873 30 20 BFED CN(CC1CCC1)c1cccc(F)c1C#N 96475001 CQULIGRTQNYFJZ-UHFFFAOYSA-N 218.275 2.934 30 20 BFED N#Cc1ccc(CNC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 103128116 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C=CCCS[C@H](C)C(=O)NC(C)(C)C 151973652 QCCXLNULKKDCSU-SECBINFHSA-N 215.362 2.599 30 20 BFED Cc1cc(CN(CCC#N)CCC#N)ccc1F 152825651 SRSCLBIMDJQINR-UHFFFAOYSA-N 245.301 2.763 30 20 BFED C=CCN(C)C(=O)N[C@@H](C)CCc1ccccc1 153488281 PHUCIGBFYUIOLX-ZDUSSCGKSA-N 246.354 2.835 30 20 BFED C=C(Cl)Cn1ccnc1[C@@H](C)OCC 155465562 XULRBDZMVBGKHR-SECBINFHSA-N 214.696 2.733 30 20 BFED C=CCN(CC=C)Cc1ccc(C)cn1 156091925 IOZDPKRARXIHPM-UHFFFAOYSA-N 202.301 2.564 30 20 BFED C=C(C)CNC(=O)N(C)CCc1cccs1 156256726 QYEBHKNUILOBFZ-UHFFFAOYSA-N 238.356 2.508 30 20 BFED C=CCNC(=O)NCC1CCC(C)(C)CC1 158798272 VGAYWHFIEJRFNW-UHFFFAOYSA-N 224.348 2.688 30 20 BFED CC(C)(C)C1=CCN(c2nccnc2C#N)CC1 160767920 LMXNKLQNBAJVDO-UHFFFAOYSA-N 242.326 2.531 30 20 BFED C=CCN(C)C(=O)[C@@H](C)Cc1cccc(F)c1 161689075 SPGNJGBOKGZWKT-NSHDSACASA-N 235.302 2.649 30 20 BFED CC[C@H](Sc1ccc(C#N)cc1)C(=O)O 162968170 GYLHKBPHGGWKRY-JTQLQIEISA-N 221.281 2.514 30 20 BFED CC#CCCNC(=O)c1ccc(F)cc1Cl 163327378 QNHMSYPOSIWPDN-UHFFFAOYSA-N 239.677 2.622 30 20 BFED N#Cc1ccc(N2CC=CCC2)cc1Cl 165988972 BONWDKIMTIHBLB-UHFFFAOYSA-N 218.687 2.978 30 20 BFED C=CCc1c(Cl)nc2ccnn2c1Cl 167063819 IGBMUABCHMECJL-UHFFFAOYSA-N 228.082 2.765 30 20 BFED C=CCCNc1nc(C)cc(C)c1C#N 168828433 RQMGPPCWBYXNOC-UHFFFAOYSA-N 201.273 2.558 30 20 BFED COc1ccc(C)cc1CNCC(C)(C)C#N 168928855 CUGUEUXOFZGSIE-UHFFFAOYSA-N 232.327 2.643 30 20 BFED N#Cc1cccc(CSCc2ccon2)c1 172683343 NOXPSGUPIQBNNI-UHFFFAOYSA-N 230.292 2.980 30 20 BFED C=CCC[C@H](O)CN(C)CC1CCCCC1 178046409 VTSUJQXECLFIKO-AWEZNQCLSA-N 225.376 2.826 30 20 BFED CC#CCCCC(=O)N(C(C)C)C1CC1 185205387 VUMXLLHNMVLTBW-UHFFFAOYSA-N 207.317 2.579 30 20 BFED CO[C@@H](C)C/N=C/c1c(O)ccc2ccccc12 188127898 HKWCNXXJCACVSC-YAFRSCOQSA-N 243.306 2.999 30 20 BFED Cc1ccc(Cl)cc1C(=O)N(C)[C@H](C)C#N 213328986 FJUJEROTEXNXIG-SECBINFHSA-N 236.702 2.633 30 20 BFED CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@]1(C)C(C)C 248465829 CYBDWXPHHKEKRI-MBNYWOFBSA-N 236.359 2.677 30 20 BFED CC(C)(C)OCCON=Cc1cccs1 255619616 QLJBIESVYFZWPR-UHFFFAOYSA-N 227.329 2.914 30 20 BFED C#C[C@H](/N=C(/N)Nc1cc(C)cc(C)c1)C(C)C 262207842 SYVQBEPBDVUMBO-AWEZNQCLSA-N 243.354 2.688 30 20 BFED C[C@H](CC#N)N[C@H](C)c1c(F)cccc1F 263933915 ZIYGBUFFIIPNGW-RKDXNWHRSA-N 224.254 2.918 30 20 BFED C#CCN(CC)Cc1ccc2ccccc2n1 266591416 UPTICGVBXUNMAI-UHFFFAOYSA-N 224.307 2.690 30 20 BFED C=CCN(CCCCCn1cccn1)C1CC1 271476367 SAFSNVFPKQQMGR-UHFFFAOYSA-N 233.359 2.704 30 20 BFED C=CCN(CCc1ccco1)C(=O)C=C1CCC1 272513304 OZYLQBGGYKHMPX-UHFFFAOYSA-N 245.322 2.947 30 20 BFED CC(C)(C)C1=CCN(C(=O)NCCCC#N)CC1 273303258 UQXBEGOIADZJEE-UHFFFAOYSA-N 249.358 2.678 30 20 BFED C=CCN(C)Cc1cnc([C@@H]2CCCO2)s1 275124645 INBLOOYGPMUFCR-NSHDSACASA-N 238.356 2.612 30 20 BFED C=CCCCNC(=O)N[C@@H]1CCc2ccccc21 280235883 XZGMDQNPHCLNKZ-CQSZACIVSA-N 244.338 2.939 30 20 BFED C=CC[C@@H](CC)NC(=O)c1cccc2[nH]ncc12 281853535 YFDYMURWOWWMMP-SNVBAGLBSA-N 243.310 2.647 30 20 BFED CC1(C)CC[C@H]1NCc1cccc(C#N)c1 284406891 QBBSAHWLDHQTLU-CYBMUJFWSA-N 214.312 2.836 30 20 BFED Cc1csc(NC(=O)CC2CC2)c1C#N 288811495 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2.977 30 20 BFED Cc1cc(C#N)cc(N[C@@H]2CCOC[C@@H]2C)c1 308104087 KQJRMLNOZJRDJQ-SMDDNHRTSA-N 230.311 2.704 30 20 BFED C=CC[C@H](CO)CN[C@H]1CCC[C@H]1C(C)C 309345974 LPHQKMBFKNXJLR-IHRRRGAJSA-N 225.376 2.585 30 20 BFED C=C(C)[C@@H]1OCC[C@H]1CNCCCC(C)C 309717322 ZIGQTUNLKUGTHU-KBPBESRZSA-N 225.376 2.993 30 20 BFED C=C[C@@H](COC)N[C@@H](CC)Cc1cccs1 309863307 NMECKPIOFLQXQE-RYUDHWBXSA-N 239.384 2.860 30 20 BFED C=CCC[C@@H](CO)N[C@H](C)CC(C)(C)C 321432852 LWBSJPHBAQUEDF-NEPJUHHUSA-N 213.365 2.728 30 20 BFED CC[C@H](C[C@H](C)CO)/N=C(/O)c1ccoc1C 330520238 KRSRLVPVYIYEPC-GXSJLCMTSA-N 239.315 2.690 30 20 BFED CC(C)c1[nH]ccc1/C(O)=N/C[C@@H]1CCCC1=O 330627872 XUHGKPIDFGUOBF-JTQLQIEISA-N 248.326 2.812 30 20 BFED Cc1cccc(C(C)(C)N/C(O)=N/CCC#N)c1 331138187 JESURKOFWQIVND-UHFFFAOYSA-N 245.326 2.647 30 20 BFED C[C@H]1C[C@@]1(C#N)c1nc(-c2cccc(F)c2)no1 334524191 BZFXEZGOAKSSIH-SDBXPKJASA-N 243.241 2.677 30 20 BFED C[C@@H]1CC=CC[C@H]1C(=O)NC1(C#N)CCCCC1 334530860 BBUFZHXQZDKIOQ-CHWSQXEVSA-N 246.354 2.931 30 20 BFED C[C@@H](C#N)C(=O)N1CCC(C)(C)c2ccccc21 335173609 SOMJDZNFMLJBMV-NSHDSACASA-N 242.322 2.861 30 20 BFED N#CCCC1CCN(c2ccccn2)CC1 335381202 UZINYDZDRYWUHQ-UHFFFAOYSA-N 215.300 2.602 30 20 BFED Cc1oncc1NCc1ccc(C#N)s1 335620724 QBUJNBKXZJVAOA-UHFFFAOYSA-N 219.269 2.528 30 20 BFED C[C@@H]1C[C@@H](C)N(Cc2cc(C#N)cs2)C1 335944450 BCSIHXDEJDPWAQ-NXEZZACHSA-N 220.341 2.850 30 20 BFED C=C[C@@H]1CCCCN1C(=O)c1ccccc1OC 336094578 WRWAAFQOWWFZEG-GFCCVEGCSA-N 245.322 2.876 30 20 BFED N#C[C@]1(C(=O)N2CCCCCC2)CC12CCCC2 336230896 AQZJCEMFKVHJRL-HNNXBMFYSA-N 246.354 2.863 30 20 BFED N#Cc1ccc(CN[C@H]2CC[C@@H](F)C2)c(F)c1 336493204 JSNCWRJBDMJIRX-NEPJUHHUSA-N 236.265 2.678 30 20 BFED CC#CCN(C)c1ncnc2sc(CC)cc12 338827321 HIYRMEYQCFWREV-UHFFFAOYSA-N 245.351 2.713 30 20 BFED C=CCOCCN1CCCCC(C)(C)C1 339109991 DBZORMCJTCTFRT-UHFFFAOYSA-N 211.349 2.701 30 20 BFED C=CCCCC(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C 343204458 KCLAGVXUKUAWOB-CYZMBNFOSA-N 239.359 2.518 30 20 BFED C=CCC(CC=C)C(=O)NC[C@H]1CC1(C)C 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N#CCN(C(=O)CC1CC1)c1ccc(Cl)cc1 592649280 BGPYEPMZSKCPQA-UHFFFAOYSA-N 248.713 2.997 30 20 BFED C[C@H](C#N)N(Cc1ccncc1Cl)C1CC1 595709501 GDXSAZXKNSRQIP-SECBINFHSA-N 235.718 2.611 30 20 BFED CCC[C@@H]1CCCC[C@@H]1N=c1cc(C#N)cn[nH]1 596109483 ARCILYJLNGFNLG-OLZOCXBDSA-N 244.342 2.541 30 20 BFED CC(C)(C#N)CCOc1ccc2oc(O)nc2c1 596297804 IZAARHGPYRZJFD-UHFFFAOYSA-N 246.266 2.852 30 20 BFED CC[C@H](C)CCNc1nnc(C)c(C)c1C#N 596414553 ARVACTAAZFUMAG-VIFPVBQESA-N 232.331 2.813 30 20 BFED CC(C)(CC#N)CN[C@H]1CCC[C@@H]2C[C@H]12 597152301 YVKSVLKYXTUYCB-WOPDTQHZSA-N 206.333 2.704 30 20 BFED N#CC[C@@H]1CCCN(C(=O)[C@@H]2CC23CCCC3)C1 597910340 ZFARSKFRVVNIJD-STQMWFEESA-N 246.354 2.719 30 20 BFED C[C@H](C#N)N(C(=O)CCC(C)(C)C)C1CC1 598128304 HZTJHZBXSPCFPC-SNVBAGLBSA-N 222.332 2.716 30 20 BFED Cc1cc(C)c(C#N)c(NC(=O)CC2CCC2)n1 598851488 ATUMXMPQKRINOZ-UHFFFAOYSA-N 243.310 2.699 30 20 BFED CCN(CCC#N)C(=O)c1sc(C)cc1C 601009860 TUIBVQQSQBDIFC-UHFFFAOYSA-N 236.340 2.741 30 20 BFED C[C@@H]1OCC[C@H]1CSCC1(C#N)CCC1 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221.300 2.840 30 20 BFED Cn1ccc(C=NOCc2ccccc2)c1 749857646 DTMOTORISAZWPE-UHFFFAOYSA-N 214.268 2.576 30 20 BFED N#Cc1csc(C(=O)OC/C=C\Cl)c1 752587301 QLOJRJGGVMZSRZ-UPHRSURJSA-N 227.672 2.529 30 20 BFED C[C@@H](C=NNc1cnccn1)c1ccc(F)cc1 756879320 ITIJVAYBXJCALB-JTQLQIEISA-N 244.273 2.817 30 20 BFED Cc1cc(C)c(C=NNC2CCOCC2)c(C)c1 757589090 CVADENBZMFZVAE-UHFFFAOYSA-N 246.354 2.714 30 20 BFED N#CCN(C(=O)c1cc(Cl)cs1)C1CC1 758155297 TWHGBDQVIIDKNE-UHFFFAOYSA-N 240.715 2.530 30 20 BFED C#CCCCC(=O)N[C@@H](CC=C)c1ccncc1 758363748 NVGFOFOVDGEZPT-AWEZNQCLSA-N 242.322 2.619 30 20 BFED C=CCN(CCF)CCc1ccccc1 759330671 PGCRUFMYOOPDSU-UHFFFAOYSA-N 207.292 2.687 30 20 BFED C#CCCc1noc(-c2csc(C3CC3)n2)n1 762009023 MMBOQKQEENJLEN-UHFFFAOYSA-N 245.307 2.636 30 20 BFED C#CCCN(C)Cc1ccc(F)c(Cl)c1 763835935 IAMNKBQOHRYNOS-UHFFFAOYSA-N 225.694 2.934 30 20 BFED C#C[C@H](C)N(C)Cn1c(=S)oc2ccccc21 766663075 JPXZAVSEGSNHLJ-JTQLQIEISA-N 246.335 2.875 30 20 BFED C#CCCCOC(=O)C(F)=C1CCCC1 766905424 IQVVDGXCRRDIIY-UHFFFAOYSA-N 210.248 2.741 30 20 BFED CC(C)c1nnnn1CCCCC(C)(C)C#N 767062583 WAFSQAISIMRJMK-UHFFFAOYSA-N 235.335 2.517 30 20 BFED C#CCC(C)(C)C(=O)N[C@@H]1CCC(C)(C)C1 767101736 GAPJECPFCAFBRF-LLVKDONJSA-N 221.344 2.731 30 20 BFED COc1ccnc(NN=C[C@@H]2CCC[C@H](C)C2)n1 768359963 HYUSTOUICQIQEJ-WDEREUQCSA-N 248.330 2.709 30 20 BFED CCc1ccc(C(C)=NNCC(F)(F)F)o1 769815849 SRFBLONACZEGEK-UHFFFAOYSA-N 234.221 2.718 30 20 BFED COc1ccc(C(C)=NNCC(F)(F)F)cc1 769823109 VCUVFOCLCLDVEL-UHFFFAOYSA-N 246.232 2.571 30 20 BFED CC[C@H]1CCCC(=NNC[C@H](C)C#N)C1 771101973 BOPXLRISHVVPQI-MNOVXSKESA-N 207.321 2.692 30 20 BFED C=C[C@@H](C)NC(=O)Nc1cccc(OC)c1F 771246983 IHPGTZXRWVKUOE-MRVPVSSYSA-N 238.262 2.530 30 20 BFED CC(=NOC1CCCC1)c1ccc(O)cc1O 774602270 HASMNQNQORXYCH-UHFFFAOYSA-N 235.283 2.781 30 20 BFED CCON=C1CN(Cc2ccccc2)CC[C@H]1C 776185811 MMJGQMDJQQPXPJ-CYBMUJFWSA-N 246.354 2.921 30 20 BFED CC(C)CN(CCC#N)C(=O)[C@H]1CC[C@H](C)C1 776574836 UDZXXOBKSMAPRZ-STQMWFEESA-N 236.359 2.821 30 20 BFED C=CCN(CC=C)C(=O)/C(C)=C(\C)CC 779777787 SVNIJHFAPGHMOH-VAWYXSNFSA-N 207.317 2.933 30 20 BFED CC[C@@H](C#N)OC(=O)c1c[nH]c2ccc(F)cc12 781195516 RFLMWPZSIJTDMQ-VIFPVBQESA-N 246.241 2.766 30 20 BFED Cc1cc(C=NN[C@H]2CCCC2(C)C)sn1 782288164 OYROXBDUCHWGQT-NSHDSACASA-N 237.372 2.954 30 20 BFED CC(=NNC1CCCCC1)c1ccco1 786043047 FZSZIDTVAKUXDK-UHFFFAOYSA-N 206.289 2.926 30 20 BFED C#CCC1(C(=O)N2CCC[C@@H]2C)CCCCC1 788229268 QOSLMCGJCFGRKB-ZDUSSCGKSA-N 233.355 2.971 30 20 BFED C=CCN(C(=O)NCCC=C(C)C)C(C)C 790521486 IJBNJIIZFLYWCA-UHFFFAOYSA-N 224.348 2.949 30 20 BFED C#CCCCN1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 792897202 AFETYQGPDRNFRT-GHMZBOCLSA-N 246.181 2.916 30 20 BFED N#CCC1(CNC(=S)Nc2ccccc2)CC1 797409036 TWJVXWCZTDBAGX-UHFFFAOYSA-N 245.351 2.667 30 20 BFED C#Cc1ccccc1CC(=O)NCc1ccccc1 809937796 IDGFANRHYUFHKX-UHFFFAOYSA-N 249.313 2.527 30 20 BFED C=CCCCCOC(=O)c1cccnc1C 811012393 JSDAMMFZCVAOPN-UHFFFAOYSA-N 219.284 2.903 30 20 BFED CO[C@]1(C)CC(=NOC/C=C/Cl)C1(C)C 811672046 OOOYIEWRCPBZOJ-UGXZBPTESA-N 231.723 2.947 30 20 BFED C#CCON=C(c1ccccc1C)C1CC1 812232811 JCWGYMGRVNOCKX-UHFFFAOYSA-N 213.280 2.759 30 20 BFED CCCC(=NOC)c1ccc(OC)cc1 814795946 PYORWQDRUKVIBQ-UHFFFAOYSA-N 207.273 2.846 30 20 BFED CCCCNN=C1COc2cccc(Cl)c21 814806239 ZICASKXDXAJFDS-UHFFFAOYSA-N 238.718 2.826 30 20 BFED CC(C)N(CCOCCC#N)C1CCCCC1 815067830 BUZSJFRHPHJTKA-UHFFFAOYSA-N 238.375 2.960 30 20 BFED CC#CCN(C)Cc1cc(Cl)cc2c1OCC2 815284210 YCJDHXGTSZTOKW-UHFFFAOYSA-N 249.741 2.730 30 20 BFED CC(C)CCC(=NN[C@@H]1CCC[C@H]1O)C1CC1 817335780 ADYMYAFBAMRQSM-ZIAGYGMSSA-N 238.375 2.692 30 20 BFED Cc1nc2cc(NCCC#N)ccc2s1 819467420 FVCNIFIRFVUSCE-UHFFFAOYSA-N 217.297 2.930 30 20 BFED C=C[C@@H](CC)CC(=O)NCc1cnccc1C 821506219 JMIBCVROBRPRAR-LBPRGKRZSA-N 232.327 2.609 30 20 BFED N#CC[C@H]1CCCN(Cc2ccccc2O)C1 826862250 XPAATGXMNBZQLR-GFCCVEGCSA-N 230.311 2.518 30 20 BFED COCCON=C[C@@H](C)c1cc(F)cc(F)c1 834963605 FBBOPSLGRRQPBK-SECBINFHSA-N 243.253 2.717 30 20 BFED C1CC(=NN[C@H]2CCSC2)C2(C1)CCC2 834978738 BYOFDSBUSHIDHX-JTQLQIEISA-N 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C=C[C@H](COC)N[C@@H]1CCCc2sccc21 309553995 JEACLULINBTTJD-ZYHUDNBSSA-N 237.368 2.916 30 20 BFED CC(C)(CC#N)CNC(=O)[C@H]1CCCC1(C)C 316232581 PHYQSILXUNEWBJ-LLVKDONJSA-N 236.359 2.869 30 20 BFED Cc1cncc(C/N=C(/O)[C@H]2CCCOCC2)c1 329957986 PSQGDUSBPZSXGF-ZDUSSCGKSA-N 248.326 2.663 30 20 BFED CC1=C(/C(O)=N/CCCC(=N)O)CCC1 331248919 VBJGNXBYYXAIKD-UHFFFAOYSA-N 210.277 2.759 30 20 BFED CC[C@@]1(C)C[C@@H]1C(=O)N[C@H]1CC[C@@H](CC#N)C1 331496198 NTUXIMSFRZVWQS-FMSGJZPZSA-N 234.343 2.621 30 20 BFED C[C@@H](CC(C)(C)C)NC(=O)C1(C#N)CCC1 331966433 AVUYKQPACJZCQF-JTQLQIEISA-N 222.332 2.621 30 20 BFED C[C@@H](Nc1ccc(F)cc1C#N)[C@H]1CCCOC1 334224365 AHFFPEAUUNIIGJ-MNOVXSKESA-N 248.301 2.924 30 20 BFED C[C@H]1C[C@H](C)N(Cc2ccc(C#N)s2)C1 334476208 NECOTRPFGFSGKD-UWVGGRQHSA-N 220.341 2.850 30 20 BFED CC1(C(=O)Nc2cccc(CC#N)c2)CCC1 335004981 LLYNDXDABZLZCW-UHFFFAOYSA-N 228.295 2.881 30 20 BFED CC1=C(C)C[C@H](C(=O)N[C@@]2(C#N)CC2(C)C)CC1 335475010 TWCYKVLIBCENGU-IUODEOHRSA-N 246.354 2.931 30 20 BFED C[C@H]1C[C@]1(NCC#N)c1ccc(Cl)cc1 335604156 SZGZDTVSMNXCEX-JOYOIKCWSA-N 220.703 2.688 30 20 BFED N#Cc1ccsc1C(=O)N1CC2(CCCC2)C1 336111602 LNPXKQWBJGJPTK-UHFFFAOYSA-N 246.335 2.636 30 20 BFED CC[C@@]1(C)CCN(CCCSCC#N)C1 336650033 SINMUDFAIOCROI-LBPRGKRZSA-N 226.389 2.755 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCC[C@@H]1C 336778460 LKNKPDXBBWEKEC-DGAVXFQQSA-N 223.360 2.746 30 20 BFED C=C(CC)CNc1cc(C#N)ccc1OC 336781252 UEOMVAQNTBVBFE-UHFFFAOYSA-N 216.284 2.945 30 20 BFED CC[C@@H](C#N)NC(=O)CCSc1ccccc1 338666923 ZLFWNNLPUCWYAU-NSHDSACASA-N 248.351 2.587 30 20 BFED C=C(C)[C@H](CC(=O)N1CCC[C@H]1CC)OCC 339201186 PVBDLYKDPMOUNW-OLZOCXBDSA-N 239.359 2.759 30 20 BFED CC(C)[C@@H](C(=O)N[C@H](C)C#N)c1ccc(F)cc1 339377602 BYAFIUPUPYBYFH-ZWNOBZJWSA-N 248.301 2.594 30 20 BFED C=CC[C@@H](CO)CNc1ccnc2ccsc12 340894223 LVJDQHIZPSKGMU-SNVBAGLBSA-N 248.351 2.893 30 20 BFED C=CC[C@@H](CC)NC(=O)C1(OCC)CCCC1 341669131 PHTSKEUZUIHIHM-GFCCVEGCSA-N 239.359 2.807 30 20 BFED C=CCCC[C@@H](C)NC(=O)c1ccn(C(C)C)n1 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2.977 30 20 BFED C#C[C@@](C)(CC)NC(=O)c1ccc(C)cc1F 395259121 IHJVDOWCOCNQJL-AWEZNQCLSA-N 233.286 2.666 30 20 BFED CCc1ccccc1C(=O)NCC1(CC#N)CC1 404147182 KAWYTIKHTFNQIJ-UHFFFAOYSA-N 242.322 2.673 30 20 BFED N#Cc1ccc(CNCC2=CCCC2)cc1F 404155183 ODHJLCKBVSOXEZ-UHFFFAOYSA-N 230.286 2.897 30 20 BFED Cc1nc(C#N)cc(CC2CCCCC2)n1 409436939 AKMRZLNIJGTVKW-UHFFFAOYSA-N 215.300 2.780 30 20 BFED CCO[C@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2)C1 414147271 QFWHIBOWFLYSPD-TUKIKUTGSA-N 244.338 2.776 30 20 BFED C=C[C@H](CCC(=O)O)NCc1cccc(C)c1C 417629725 SXQPIRSISWSAIA-CQSZACIVSA-N 247.338 2.812 30 20 BFED N#Cc1ccccc1CSC[C@H]1C[C@@H](O)C1 421203872 DUXDEFKJHOGCGT-GSJFWJNXSA-N 233.336 2.562 30 20 BFED CC[C@@H](CC#N)Nc1c(C#N)cccc1[N+](=O)[O-] 425248120 ZSZHDDAOLDBNSN-JTQLQIEISA-N 244.254 2.571 30 20 BFED N#C[C@H]1CC[C@@H](NCCCOC2CCCC2)C1 442793220 NVTPZVAIQXDSKH-QWHCGFSZSA-N 236.359 2.618 30 20 BFED C=CCNC(=O)C1(CC=C)CCCCC1 448562788 LVPFKBHIZCUPSP-UHFFFAOYSA-N 207.317 2.815 30 20 BFED C=CCC1(CN=c2[nH]nc(C3CC3)o2)CCCC1 450849289 WFZWZLYBFFIWJP-UHFFFAOYSA-N 247.342 2.917 30 20 BFED N#Cc1cc(F)cc(OC[C@H]2C[C@H]3CC[C@H]2O3)c1 450960754 PSBUJBCQXBTHTC-MPKXVKKWSA-N 247.269 2.644 30 20 BFED C=C(CC)CNC(=O)CCc1ccc(C#N)cc1 456830491 RGUWGQUIBVXJOS-UHFFFAOYSA-N 242.322 2.573 30 20 BFED C=CCC1(CNC(=O)N(C)C2CC2)CCCC1 459053338 RCKBKXCWMOMORO-UHFFFAOYSA-N 236.359 2.927 30 20 BFED C=CC[C@H](C)[C@H](C)N[C@H](C)c1ccn(C)n1 459747203 JCVAHFRYSNITJO-SDDRHHMPSA-N 221.348 2.671 30 20 BFED C=CCOCCCN1CC[C@H](C(C)C)C1 470760766 DRVSVVKLCTXKGM-ZDUSSCGKSA-N 211.349 2.557 30 20 BFED C=C(C)CNC(=O)c1cccc(C(C)C)n1 490070766 XTKVFYHCHLHJTO-UHFFFAOYSA-N 218.300 2.511 30 20 BFED C#CCN(CC)C(=O)[C@@H](CC)Cc1ccccc1 490652514 YQHFCDMTFNOXCO-HNNXBMFYSA-N 243.350 2.737 30 20 BFED C#CC(C)(C)NC(=O)C[C@@H]1CCCC[C@H]1C 490655778 CGKJBEODXBJXLG-NEPJUHHUSA-N 221.344 2.731 30 20 BFED C=CCN(C)C(=O)C/C=C\c1ccccc1F 491083874 PLBSGDOJROHCRX-VURMDHGXSA-N 233.286 2.873 30 20 BFED C#C[C@@H](CC)NC(=O)[C@@H](C)Cc1cccc(F)c1 491651263 FTRVEEKUYHIULA-FZMZJTMJSA-N 247.313 2.532 30 20 BFED C[C@H](C#N)CNC[C@@H](C)c1cc(F)cc(F)c1 520964492 IKUFOYLYJPYXJK-NXEZZACHSA-N 238.281 2.818 30 20 BFED N#Cc1ccc(CN2C3CCC2CC3)s1 534331350 OHCQRZODCMQTPL-UHFFFAOYSA-N 218.325 2.747 30 20 BFED CC(=O)c1cc(N[C@H](C)C#N)ccc1C 567177088 ZCMPYNDXPCCJGW-SECBINFHSA-N 202.257 2.522 30 20 BFED C=CCC(CC=C)C(=O)N1CCC[C@H](F)C1 575997521 GZUSJRPRSPDYQS-LBPRGKRZSA-N 225.307 2.715 30 20 BFED CC1CC(C#N)(C(=O)N2CC(C)(C)C[C@@H]2C)C1 577160737 ZAZASQGUQXUOHF-CVZZAPKMSA-N 234.343 2.573 30 20 BFED Cc1cn(CCC(C)(C)C#N)cc1C#N 579448520 FYPQNWDUBUWWDE-UHFFFAOYSA-N 201.273 2.608 30 20 BFED N#CC1CCC(CNC(=O)[C@@]23CCC[C@H]2C3)CC1 581719832 IELLAKHBRXZPNO-NSOJWWLLSA-N 246.354 2.623 30 20 BFED CC[C@@H](C#N)N(C)C(=O)C1(C)CCCCC1 594088717 SQKGSHFJXFOOND-NSHDSACASA-N 222.332 2.717 30 20 BFED C[C@H](CC#N)N(C)C(=O)C1CCC2(CC1)CC2 597145457 RHCISIUNKNXVMR-LLVKDONJSA-N 234.343 2.717 30 20 BFED C=CCCSCCNC(=O)[C@@H]1CC12CCC2 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244.338 2.508 30 20 BFED C[C@@H](CCC#N)N(C)Cc1ccc(C(=O)O)cc1 695718785 SVZCTBWQQXUTDM-NSHDSACASA-N 246.310 2.509 30 20 BFED C#C[C@H](NC(=O)[C@H]1CCC(F)(F)C1)C(C)(C)C 702251556 XQYAIIWTKVUSFF-UWVGGRQHSA-N 243.297 2.586 30 20 BFED C#Cc1cccc(NC2CC(SC)C2)c1 706794993 GQWQAQRVDBRFOK-UHFFFAOYSA-N 217.337 2.974 30 20 BFED N#Cc1ccc(OC(=O)C2CCSCC2)cc1 732930527 OYPNCGVUSKVMDI-UHFFFAOYSA-N 247.319 2.607 30 20 BFED C=CC[C@@H](C)Nc1nc2ccccn2c1[N+](=O)[O-] 735076954 YCYBQAXBRZBLMK-SECBINFHSA-N 246.270 2.619 30 20 BFED CCCC(CCC)=NNc1cccnn1 735977137 WNPSAEGLWNJELC-UHFFFAOYSA-N 206.293 2.845 30 20 BFED CCCNN=C1C[C@H](OCC)C12CCCC2 743436945 GFOATASIBGWFRK-LBPRGKRZSA-N 224.348 2.711 30 20 BFED CC(=NN=C1CCCC[C@@H]1C)c1cnccn1 745201358 HMDLHCDSRVWCOT-JTQLQIEISA-N 230.315 2.852 30 20 BFED CC(C)c1ccc2cc(C(=O)NCC#N)[nH]c2c1 749609120 QQTOKNBUMWOMKJ-UHFFFAOYSA-N 241.294 2.545 30 20 BFED C=C(Cl)CNC(=O)c1ccc(Cl)nc1C 751983066 TVVGRAMBMOGMKN-UHFFFAOYSA-N 245.109 2.526 30 20 BFED CC(C)C[C@H](C#N)NC(=O)/C=C1\CC[C@@H](C)C1 753603315 ZQNROJGKFBMXJN-HIZVYSOWSA-N 234.343 2.787 30 20 BFED Cc1cc(C=NO[C@H]2CCCCO2)c(C)n1C 754962360 VFFILZLNMLDWLN-ZDUSSCGKSA-N 236.315 2.519 30 20 BFED CCN(CC)CCCN(CCC#N)CC(C)C 755002397 MIHBGMVZXHQJMS-UHFFFAOYSA-N 239.407 2.590 30 20 BFED CCn1ccnc1C=NNc1ccc(C)cc1 755465994 RYBMGUSTRCQGBL-UHFFFAOYSA-N 228.299 2.657 30 20 BFED CCCNN=Cc1coc(-c2ccc(C)cc2)n1 755652366 XMNDDXFBXZIMIT-UHFFFAOYSA-N 243.310 2.984 30 20 BFED C=CCCOC(=O)CCO[C@H](C)CC(C)C 756236467 NCVZQDRQNNMZOO-GFCCVEGCSA-N 228.332 2.947 30 20 BFED C[C@H]1C[C@H](C)N(c2snc(Cl)c2C#N)C1 756968520 GSDPXQFWAPCJQM-BQBZGAKWSA-N 241.747 2.903 30 20 BFED Cc1ccc(NN=C2CCCN(C)CC2)cc1 758088183 CDKUYAANKZUAHZ-UHFFFAOYSA-N 231.343 2.879 30 20 BFED C#CCCCCNCc1ccccc1N(C)C 758498017 SQLFACXWJKMQJA-UHFFFAOYSA-N 230.355 2.646 30 20 BFED FC(F)CON=C[C@@H]1CCOc2ccccc21 758904036 LXNQRSWUYCLFOY-VIFPVBQESA-N 241.237 2.820 30 20 BFED CC1(C(=O)OCc2cc(C#N)ccc2F)CC1 760589413 SZCOKMKHPUWQBY-UHFFFAOYSA-N 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C=CCN(Cc1ccc(F)cc1)[C@H](C)COC 621317578 MEENWAKWFYZNGO-GFCCVEGCSA-N 237.318 2.849 30 20 BFED C=CCCCC[C@@H](C)N[C@H]1C[C@H](OC)C1 624300300 BYOPFQPYQHRHIP-JHJVBQTASA-N 211.349 2.888 30 20 BFED C=CCCCCCN(C)C(=O)CCc1cn[nH]c1 629962944 NYUWVBBLKHDABX-UHFFFAOYSA-N 249.358 2.547 30 20 BFED CC#CCCCC(=O)Nc1nc(C(C)C)co1 637633909 FDQNTWTXYMXMBT-UHFFFAOYSA-N 234.299 2.930 30 20 BFED C=CCCC(C)(C)NC(=O)NC(C)(C)C 663240283 ASRJBNJFXDKVEF-UHFFFAOYSA-N 212.337 2.829 30 20 BFED C#CC(=O)Nc1cccc(SC(F)F)c1 692887694 QTKSVTMMMJEOPN-UHFFFAOYSA-N 227.235 2.573 30 20 BFED Cc1nccc(N2CCC[C@H](C#N)C2)c1Cl 693937368 BUKYNHYHYPGHIA-SNVBAGLBSA-N 235.718 2.783 30 20 BFED C=C(Br)CN[C@@H](C)CC(C)(C)C#N 695871998 MEOUSXHGXJTMKH-VIFPVBQESA-N 245.164 2.813 30 20 BFED C#C[C@@H](NC(=O)c1cc(C)ccc1F)C(C)(C)C 702250781 MBDFKVQALLCLIV-CYBMUJFWSA-N 247.313 2.912 30 20 BFED C#C[C@H](NC(=O)[C@H]1CCCC1(C)C)C(C)(C)C 705253951 IQMYAGZPFMFJBE-NEPJUHHUSA-N 235.371 2.977 30 20 BFED CN(C)C(=S)NN=C1CCCCCCC1 731560695 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C#C[C@@H](C)N(C)C(=O)C[C@@H]1CCc2ccccc21 767257778 LCEZMFZWJRILDR-OCCSQVGLSA-N 241.334 2.587 30 20 BFED C#C[C@H](C)N(C)C(=O)c1ccc(C(C)C)cc1O 769656209 YEXCSSCQYSIATD-NSHDSACASA-N 245.322 2.609 30 20 BFED C#C[C@@H](C)Nc1ccnc(-c2ccccc2)n1 772274604 BZMYITLQFWHPIN-LLVKDONJSA-N 223.279 2.577 30 20 BFED CC(=NOC1CCOCC1)c1ccccc1 774456385 DHPNLQVVZDCDJB-UHFFFAOYSA-N 219.284 2.606 30 20 BFED C=C(C)CN(C)c1nnc(C)cc1C(F)(F)F 777994724 HMXNNSCOGOEPPY-UHFFFAOYSA-N 245.248 2.816 30 20 BFED CC/C(C)=C(\C)C(=O)N[C@@H](C#N)C(C)(C)C 779971908 GHSCKZQXVBEUJO-USKTWTLRSA-N 222.332 2.787 30 20 BFED Fc1cc(NN=Cc2ccsc2)ccn1 781133522 XMYJFZNIOJYEDS-UHFFFAOYSA-N 221.260 2.728 30 20 BFED N#Cc1ccc(NN=Cc2ccc[nH]2)cc1Cl 783877303 HTGKGPHQNUKFIK-UHFFFAOYSA-N 244.685 2.986 30 20 BFED C[C@@H](CC(=O)OCC#N)c1c[nH]c2ccccc12 787213169 CJTNMTVTYFIUBW-JTQLQIEISA-N 242.278 2.728 30 20 BFED C=CCCC(=O)OCC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 787687155 OLABGUOBSXTQTB-SDDRHHMPSA-N 236.311 2.501 30 20 BFED CC(=NOC[C@H]1CCOC1)c1ccsc1 788034390 QQOOBJFJBBAFPI-JTQLQIEISA-N 225.313 2.525 30 20 BFED C#CCC1(C(=O)NCC2CCC2)CCCCC1 788157566 PLLNQIBBNOCELL-UHFFFAOYSA-N 233.355 2.877 30 20 BFED CC(C[C@@H](C)CC(C)C)=NN[C@@H]1CCOC1 788446396 LCKAUZAWHQZQOA-WCQYABFASA-N 226.364 2.813 30 20 BFED C#CCN(C[C@H]1CC[C@@H](C)O1)C1CCCCC1 789311973 QEKWTZSBONFIGA-UKRRQHHQSA-N 235.371 2.822 30 20 BFED CC(=NNc1ncccc1C)C1CCOCC1 790191038 PMPXOWZOFIYMQX-UHFFFAOYSA-N 233.315 2.604 30 20 BFED C#Cc1cccc(NCCC(C)(C)C(=O)OC)c1 793082232 SOAFWPHEVXRGCD-UHFFFAOYSA-N 245.322 2.669 30 20 BFED CC[C@H](C)CON=C1CCC(C(=O)OC)CC1 793144628 FBOKVWBOUFDVSY-VUWPPUDQSA-N 241.331 2.768 30 20 BFED CC[C@@H](C)CON=C(C)c1ccncc1 793158419 FTKXHJDMWYARFP-SNVBAGLBSA-N 206.289 2.868 30 20 BFED CC[C@@H](C)CON=C1CCC[C@H](OC)C1 793159643 QCHUGWSHCMVYOI-PWSUYJOCSA-N 213.321 2.994 30 20 BFED C(=NOC[C@H]1CCOC1)c1ccc2occc2c1 794933193 PZDPUECWCJVTBD-LBPRGKRZSA-N 245.278 2.820 30 20 BFED CCCCC(=O)OCc1ccccc1C#N 797644848 DOKVUIWCYMACGE-UHFFFAOYSA-N 217.268 2.792 30 20 BFED O=C1NCCCN1N=CCC1CCCCCC1 799113867 XNOPLDSFBYBJOQ-UHFFFAOYSA-N 237.347 2.748 30 20 BFED CCCCCCCS(=O)(=O)NC1CC=CC1 799791291 WCEBJAKXWGEODE-UHFFFAOYSA-N 245.388 2.595 30 20 BFED Cc1cc(C)nc(C(=O)OCC2(C#N)CCC2)c1 802151162 OGIRZXHRORTWAI-UHFFFAOYSA-N 244.294 2.549 30 20 BFED C[C@H]1CC(=NNc2cnn(C)c2)c2ccccc21 807985698 RWHPCPBEEQHFRV-JTQLQIEISA-N 240.310 2.744 30 20 BFED Cl/C=C/CON=C[C@@H]1C[C@H]2C=C[C@H]1C2 811671929 XXVSJYLBUATXQK-QTFLJZPSSA-N 211.692 2.954 30 20 BFED C#CCON=C1CC(C)(C)Oc2cc(F)ccc21 812233189 NYKZFMNPCVLKFT-UHFFFAOYSA-N 247.269 2.741 30 20 BFED C[C@H]1SCCC1=NNc1cccc(F)n1 814928047 TXIZOAWOURXSMO-SSDOTTSWSA-N 225.292 2.514 30 20 BFED Fc1ccc(NN=Cc2cc[nH]c2)c(F)c1F 814944246 XUHLWCNXLDESSZ-UHFFFAOYSA-N 239.200 2.878 30 20 BFED Cc1cc(C#N)cnc1C(=O)OCC1CCCC1 815337474 NXKSNJRLZKTVHW-UHFFFAOYSA-N 244.294 2.609 30 20 BFED FC(F)(F)CC=NOC/C=C\Cl 817328754 MZJJDDJXBOFQHP-QJKYDQAASA-N 201.575 2.694 30 20 BFED C=C(C)CSc1cccc(-c2nn[nH]n2)c1 819722582 NMDCKKKRZGTFNP-UHFFFAOYSA-N 232.312 2.535 30 20 BFED CCC(CC)=NN[C@@H](C)c1ccncc1 819815208 NWDGQLBJMXYKJY-JTQLQIEISA-N 205.305 2.908 30 20 BFED C#Cc1cccc(CN[C@@H](C)C2CCC2)c1 825226543 IYMFRVVAIYYFCF-LBPRGKRZSA-N 213.324 2.946 30 20 BFED C#CCN(Cc1cc2ccncc2s1)C1CC1 825519244 BKHUZYOOAGHWBU-UHFFFAOYSA-N 242.347 2.894 30 20 BFED C[C@H]1CCN(C(=O)c2cc(C#N)ccc2F)[C@H]1C 829632163 QWTVJZSJBLQVNL-UWVGGRQHSA-N 246.285 2.568 30 20 BFED C[C@H]1CC(=NNc2cccc(F)c2F)[C@H](C)O1 834960184 HSBMKCATMFPZTK-YUMQZZPRSA-N 240.253 2.930 30 20 BFED CC(Cc1ccccn1)=NN[C@H]1C[C@H]2CC[C@H]1C2 834968009 CXGUEQHTMOLSFL-YDHLFZDLSA-N 243.354 2.778 30 20 BFED C=CC(C)(C)COC(=O)[C@@H](C)Oc1ccccn1 835721492 LNSSNZOSNAAKCC-LLVKDONJSA-N 249.310 2.604 30 20 BFED CC(C)(C)C#CC(=O)Nc1ccc2n[nH]cc2c1 837325924 FVFSKDSJZILALQ-UHFFFAOYSA-N 241.294 2.551 30 20 BFED C#CCCCC(=O)O[C@H](C(C)=O)c1ccccc1 837669318 CGOUNSXGYQNTCO-OAHLLOKOSA-N 244.290 2.663 30 20 BFED C#CCC[C@H](C)OC(=O)c1cc(C)oc1C 839032731 RUJCKAXITYHOFG-VIFPVBQESA-N 220.268 2.855 30 20 BFED CC(=NNCC(C)C)c1ccc2c(c1)CCO2 839401821 BZLGEEIOZVJBIP-UHFFFAOYSA-N 232.327 2.591 30 20 BFED Cc1cc(SC[C@H]2CCOCO2)ccc1C#N 842633138 QZIBRDHNOJSEDH-GFCCVEGCSA-N 249.335 2.722 30 20 BFED C#CC1CCN(C(=O)C[C@H]2CC[C@H](C)C2)CC1 843705042 OJPQSFNYRVWTIB-JSGCOSHPSA-N 233.355 2.685 30 20 BFED C=C[C@H](C)ONC(=O)c1ccc(C2CC2)nc1C 846555236 SQYPUEPNUNOYLP-VIFPVBQESA-N 246.310 2.503 30 20 BFED C/C(=C/c1ccco1)C(=O)O[C@@H](C)CC#N 847648812 WPAIXUMUTXWOHA-QROTZFDESA-N 219.240 2.528 30 20 BFED C#CCCCOC(=O)c1ccc2c(c1)C[C@@H](C)O2 850063562 BEJRNMROYYQJQU-LLVKDONJSA-N 244.290 2.580 30 20 BFED C/C(=C/C(=O)O[C@H](C#N)C1CC1)c1ccco1 850870026 ILJLMUIURBAGMY-ZVTBTPLYSA-N 231.251 2.528 30 20 BFED CC(=O)Nc1cccc(CON=CC2CC2)c1 853735350 RQJZEQBYHRATPY-UHFFFAOYSA-N 232.283 2.557 30 20 BFED Cc1cccc(O)c1C(=O)OCCCCC#N 860391502 NVFJBFOWHPWTIX-UHFFFAOYSA-N 233.267 2.551 30 20 BFED C=C(C)[C@@H](C)OC(=O)[C@@H]1C[C@H]1c1ccco1 860652965 FCFXDDONYAJZPK-GMTAPVOTSA-N 220.268 2.891 30 20 BFED CC[C@H](C)c1ccc(C(C)=NN[C@H](C)CO)cc1 863099210 FIRAKPRWEPBFHQ-NWDGAFQWSA-N 248.370 2.895 30 20 BFED CC(C[C@H]1CCOC1)=NNc1cccc(C)n1 863159805 FISUEMGVGPSSRR-GFCCVEGCSA-N 233.315 2.604 30 20 BFED C=C(C)[C@@H](C)OC(=O)c1cn(CC)nc1C1CC1 870284402 CWKDSJXWCUBGBJ-SNVBAGLBSA-N 248.326 2.902 30 20 BFED CCNc1ccccc1C=NOCCSC 872371501 NJLLRIQUPMTVJQ-UHFFFAOYSA-N 238.356 2.832 30 20 BFED Fc1ccc(C=NN2CCC2)c(Cl)c1 872397902 ZVSYZEOELQPROA-UHFFFAOYSA-N 212.655 2.519 30 20 BFED C#CCCCCCCNC[C@H]1CCCOC1 876955796 CHLMSHSFWPXMRT-CQSZACIVSA-N 223.360 2.586 30 20 BFED C#CCCCCCCN[C@@H](CO)CC1CCC1 877491022 MGNNXYOJXVMDGH-OAHLLOKOSA-N 237.387 2.711 30 20 BFED C#C[C@H](CC)N[C@@H](C)[C@@H](OC)c1ccccc1 877513497 XCTXFGOVJKDSTF-NWANDNLSSA-N 231.339 2.764 30 20 BFED C=CC(C)(C)CC(=O)Nc1ccc(OC)nc1C 889504763 OJDYHBGXVYAUGZ-UHFFFAOYSA-N 248.326 2.939 30 20 BFED C#Cc1ccc(NC(=O)C2CCSCC2)cc1 891313867 BBMWCMXBWRFZBF-UHFFFAOYSA-N 245.347 2.750 30 20 BFED C=CC[C@H](C)NCc1cnc(F)c(C)c1 892952158 YSLRIULIPLIKCC-JTQLQIEISA-N 208.280 2.583 30 20 BFED CC[C@@](C)(C#N)C(=O)N(CC(F)F)C1CCC1 895142959 YLKOZLFRRKZHEO-LBPRGKRZSA-N 244.285 2.572 30 20 BFED Cc1ccc(C(=O)/C=C/C(=O)N(C)C(C)C)cc1 900117426 GLKKQYCYIKNTGR-MDZDMXLPSA-N 245.322 2.601 30 20 BFED Cc1cc(F)ncc1C=NOCC1CCC1 901264633 JITKCDPHSYXURC-UHFFFAOYSA-N 222.263 2.680 30 20 BFED COc1cc(C)ccc1[C@H](C)NCC1(C#N)CC1 903101819 NEXMDFRBXARTRA-LBPRGKRZSA-N 244.338 2.958 30 20 BFED CC1(C)[C@H]2CCC[C@H]2[C@H]1NCC1(C#N)CC1 903105966 JQWSRFJZCUKOGC-GRYCIOLGSA-N 218.344 2.704 30 20 BFED CCCCN(O)C(=O)[C@@H](C)c1ccsc1 904210663 WITZFBOJYHDHAF-VIFPVBQESA-N 227.329 2.870 30 20 BFED C=CC(C)(C)CNC(=O)c1ccsc1C#N 908940363 UIEBUMRWIDEDDV-UHFFFAOYSA-N 234.324 2.562 30 20 BFED CC[C@H](NC(=O)c1ccsc1C#N)C1CC1 912514875 KALICPIVMLUNRU-JTQLQIEISA-N 234.324 2.538 30 20 BFED Cc1nn(C)c(C)c1C=NNc1ccc(F)cc1 916268053 GZOIKVLNCDVLSZ-UHFFFAOYSA-N 246.289 2.622 30 20 BFED C#CCNC(=O)Nc1ccc(C)cc1OCCC 916691531 MYCVUJXWXOWEPI-UHFFFAOYSA-N 246.310 2.539 30 20 BFED CCCCC(C)=NNc1oc(C)nc1C#N 917554695 FFKIDPUJMCVXQN-UHFFFAOYSA-N 220.276 2.833 30 20 BFED C=C(CC)COC(=O)[C@@H]1CCO[C@H](C(C)C)C1 924312037 YNCFJUAKFVKJRD-OLZOCXBDSA-N 240.343 2.947 30 20 BFED Cc1ccc(C#N)cc1C(=O)N1CCCC[C@H]1C 929234747 RQHMWWDCPZBKGC-GFCCVEGCSA-N 242.322 2.881 30 20 BFED Cc1cc(C)nc(CN(CCC#N)CC2CC2)c1 929775648 QCFZSVSRKKTNLE-UHFFFAOYSA-N 243.354 2.824 30 20 BFED C=C[C@@H](CC)CC(=O)N1CCC[C@@H](OCC)C1 930667908 UAAMIZKTHRVPIZ-QWHCGFSZSA-N 239.359 2.616 30 20 BFED C=C[C@H](CC)CC(=O)N1CCOC(C)(C)[C@@H]1C 934831904 METPVOPYYCMVJQ-NWDGAFQWSA-N 239.359 2.615 30 20 BFED C#Cc1ccc(NC(=O)N2CCC[C@@H]2C)cc1 934935494 PNJYZERDKKAGEY-NSHDSACASA-N 228.295 2.684 30 20 BFED C=CCCN(C)C(=O)[C@@H](C)OC1CCCCC1 1116739137 IZSXQQLGEQIBFT-GFCCVEGCSA-N 239.359 2.759 30 20 BFED C#Cc1ccc(N(C)[C@@H](C)CCSC)nc1 1120900812 DJALFVNMRKRMCP-NSHDSACASA-N 234.368 2.641 30 20 BFED CCC1CN(C(=O)[C@@H](CC#N)c2ccccc2)C1 1141875302 NIEUXYXQSUXNJP-AWEZNQCLSA-N 242.322 2.552 30 20 BFED C=C(C)CN(CC)c1cccc(CC#N)n1 1149938441 ARGNJJSRZHJJEQ-UHFFFAOYSA-N 215.300 2.550 30 20 BFED Cc1cc(SCc2ncccn2)ccc1C#N 1166400036 YWTHLNKBLQCTMP-UHFFFAOYSA-N 241.319 2.949 30 20 BFED CNc1ccccc1CN1CCC[C@@](C)(C#N)C1 1180304858 CNELTNNJKOEEQW-HNNXBMFYSA-N 243.354 2.854 30 20 BFED CC1(C)CN(C(=O)c2ccc(C#N)s2)C1(C)C 1252597617 OKMNXBJMTQXTOJ-UHFFFAOYSA-N 248.351 2.880 30 20 BFED C=C(CC)C(=O)N[C@@H](CC)[C@H]1CC1(C)C 1263843227 SHDJXVRMLUHORF-MNOVXSKESA-N 209.333 2.894 30 20 BFED C=CC[C@@H](N[C@H]1CC=C(C)CC1)C(=O)OCC 1324337621 SXQQUKUILZBQDA-QWHCGFSZSA-N 237.343 2.583 30 20 BFED CC[C@H](C)CCNC(=O)CC#Cc1ccccc1 1334836129 YUKGQKBOCZEBIN-AWEZNQCLSA-N 243.350 2.981 30 20 BFED C[C@@H](C1CC1)N(C)C(=O)c1ccc(C#N)cc1F 1338643303 HKXKYVVMDPSZCT-VIFPVBQESA-N 246.285 2.568 30 20 BFED C=C(C)CCC(=O)OCc1ccnc(C)c1 1344229144 WVIHLLDFNGVGEZ-UHFFFAOYSA-N 219.284 2.790 30 20 BFED C=CC[C@H](C(=O)OCC[C@@H](C)O)c1ccccc1 1346757965 PSBJIRWTRBADDG-OCCSQVGLSA-N 248.322 2.660 30 20 BFED C#CCO[C@H](C)c1nnc(-c2ccccc2C)o1 1349977139 MXVTZIOIIUFJIM-LLVKDONJSA-N 242.278 2.756 30 20 BFED C=CC[C@@H](Sc1ccc2[nH]ncc2c1)C(=O)O 1588759422 TZKIVMMXUUFBMY-LLVKDONJSA-N 248.307 2.684 30 20 BFED C=CCC[C@H]1CCC(=NN[C@@H](CC)C(=O)O)C1 1776068206 UGVLKJRHYNGGEL-JQWIXIFHSA-N 238.331 2.562 30 20 BFED CC1CCN(Cc2cc(C#N)ccc2F)CC1 19476913 WTNGJOCHBBJBSP-UHFFFAOYSA-N 232.302 2.929 30 20 BFED C=CCCC(=O)NC[C@H](C)c1ccccc1 36456582 IMVBSUJEBFBDGZ-LBPRGKRZSA-N 217.312 2.873 30 20 BFED CC[C@H](CC#N)NCc1ccccc1F 36679760 LTJQSGXEMXXCOT-LLVKDONJSA-N 206.264 2.608 30 20 BFED CCC[C@@H](C#N)NC(=O)CC1CCCCC1 40352307 CKFKLGOSAUJZJI-LBPRGKRZSA-N 222.332 2.765 30 20 BFED Cc1cccc(CC[C@@H](C)NCCC#N)c1 40500557 JNJTUZQVEHOBEG-CYBMUJFWSA-N 216.328 2.819 30 20 BFED CC(C)(C#N)C(=O)N1CCCc2ccccc21 44318036 KCXMZGVFZCVWCA-UHFFFAOYSA-N 228.295 2.516 30 20 BFED CC[C@@H](C#N)C(=O)N(CC)c1ccccc1C 44810215 QLQAJFCWKHTUHZ-LBPRGKRZSA-N 230.311 2.898 30 20 BFED C=CCNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 44815471 DYYHTXLSDDLGDB-BDAKNGLRSA-N 235.249 2.657 30 20 BFED Cc1cc(C#N)ccc1N[C@H](C)Cn1ccnc1 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C#CCCCOC(=O)c1ccc(SC)o1 112484435 QZGOQAAYEMNGQU-UHFFFAOYSA-N 224.281 2.572 30 20 BFED C=CC[C@@H](C)NC(=O)c1cccc(F)c1F 116862585 ZMBASIMDQREWSL-MRVPVSSYSA-N 225.238 2.659 30 20 BFED CCN(C[C@@H](C)C#N)C(=O)c1ccc(F)cc1C 120741597 LMBUBXBIXSXCMX-JTQLQIEISA-N 248.301 2.756 30 20 BFED C=C(C)CNC(=O)[C@H](CC)c1ccccc1 123046241 IUJMFGBDWBFZPO-CYBMUJFWSA-N 217.312 2.873 30 20 BFED C#CCSCCN[C@H]1CCCC(C)(C)C1 124312514 LMWMSSZQPJVXFO-LBPRGKRZSA-N 225.401 2.911 30 20 BFED CC[C@H](C#N)OC(=O)c1cc(C)nc(Cl)c1 125346934 QDOQITDATIBJBQ-SECBINFHSA-N 238.674 2.502 30 20 BFED C=CCC(CC=C)C(=O)Nc1nnc(C)s1 125786155 HXGFQUVGLRQUJG-UHFFFAOYSA-N 237.328 2.553 30 20 BFED C[C@@H]1CCC[C@H](CNCC(C)(C)C#N)C1 129176191 GQTQNNNDSMXQSS-NEPJUHHUSA-N 208.349 2.952 30 20 BFED C[C@@H](NC(=O)C1(C#N)CCCCC1)C1CCC1 130779312 AZMKLUICRHOVNH-LLVKDONJSA-N 234.343 2.765 30 20 BFED C=CCN(CCn1ccnc1)Cc1ccccc1 130969502 BLZDSCKWTBAFDV-UHFFFAOYSA-N 241.338 2.571 30 20 BFED CSCC[C@@H](C)N(C)c1cc(C#N)ccn1 135615698 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CC#CCCN(C)CCOc1ccccc1C 155017447 POISJYPMVPCITN-UHFFFAOYSA-N 231.339 2.719 30 20 BFED C=CCN(C)C(=O)NCCc1c(C)cccc1C 155493099 QIEHHCOIDNDROZ-UHFFFAOYSA-N 246.354 2.673 30 20 BFED C=CCN(C)C(=O)/C=C(/C)c1ccc(F)cc1 161690246 QHAQKPLNKZSRHE-KHPPLWFESA-N 233.286 2.873 30 20 BFED C[C@H](C#N)CN(C)C(=O)c1sccc1Cl 162964878 UMQRDZCRIGACNG-SSDOTTSWSA-N 242.731 2.633 30 20 BFED CC(C)(C)OC(=O)Nc1cscc1C#N 164683669 MWSWFWCWALBSQD-UHFFFAOYSA-N 224.285 2.967 30 20 BFED C#C[C@@H](C)NCc1cnc(C(C)(C)C)s1 166383270 QGKAROVNFAMGOO-SECBINFHSA-N 222.357 2.552 30 20 BFED C=CCCC(=O)NC1[C@H](C)CCC[C@H]1C 171429783 NJVHBEDRWDEPKS-GHMZBOCLSA-N 209.333 2.894 30 20 BFED Cc1cc(C(=O)OCCCC#N)c(F)cc1F 175041614 KHORTLSYVPCGGV-UHFFFAOYSA-N 239.221 2.734 30 20 BFED C[C@@H](C#N)NC(=O)[C@@H](C)c1cc2ccccc2o1 176192027 FMMWRWCVHKZBML-UWVGGRQHSA-N 242.278 2.565 30 20 BFED C#CCCCCC(=O)OC[C@@H]1CC1(Cl)Cl 180618589 NLZJFFCXDMQSDH-VIFPVBQESA-N 249.137 2.917 30 20 BFED C=C(C)CN(C)Cc1nc2ccccc2nc1C 181319381 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2.746 30 20 BFED C=C(C)CCN[C@H](C(C)C)C1(CO)CCC1 339730152 LMFQHJRMQPZLBJ-CYBMUJFWSA-N 225.376 2.729 30 20 BFED CC#CCN(C)Cc1ccc(Cl)cc1C#N 339765528 ILTKROBKFHOYPJ-UHFFFAOYSA-N 232.714 2.667 30 20 BFED N#Cc1ccc(NC[C@@H]2CCC[C@@H](CO)C2)cc1 340980879 YVKYEYOKVAYAPK-ZIAGYGMSSA-N 244.338 2.769 30 20 BFED C=CCCN(C)C(=O)NC[C@@H]1CCC[C@H]1C 342111013 MRFAATCTWWSTLR-NEPJUHHUSA-N 224.348 2.640 30 20 BFED C=CCCCC(=O)NC[C@@H]1CCCCS1 342644019 SSSUQRLZSWLHJB-NSHDSACASA-N 227.373 2.745 30 20 BFED CC#CCCN[C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 343601577 BVLJCOVSMDPKAV-RBSFLKMASA-N 235.371 2.585 30 20 BFED C=CCOCCCN1CCc2ccccc2C1 347971530 NPSHJGKFKBOVMZ-UHFFFAOYSA-N 231.339 2.637 30 20 BFED C=C(CC)CN1CCc2ccc([N+](=O)[O-])cc21 348253215 IGPSKIGAHLUFQA-UHFFFAOYSA-N 232.283 2.924 30 20 BFED C=CCOCc1nc(-c2cscc2C)no1 350944846 WFVIWQVLFAMMFW-UHFFFAOYSA-N 236.296 2.809 30 20 BFED CCS[C@H](C)c1noc([C@]2(C#N)C[C@H]2C)n1 351091294 MULMOCPRCLLMFL-XLDPMVHQSA-N 237.328 2.685 30 20 BFED 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2.632 30 20 BFED C=CCCC(=O)Nc1cccc([C@H](C)C(=O)O)c1 263166989 FNAJKWNIWUYVFQ-JTQLQIEISA-N 247.294 2.779 30 20 BFED C#CCN(CC)Cc1coc(-c2cccs2)n1 266890112 CJCRMBJWQGLKHM-UHFFFAOYSA-N 246.335 2.858 30 20 BFED C=CCCCC(=O)NCCCc1nccs1 267210977 SAVNTRVMPPOEMV-UHFFFAOYSA-N 238.356 2.548 30 20 BFED CCCc1cccc(CN(CC)CC#N)c1 274895179 LBAXZSKHYHFXEL-UHFFFAOYSA-N 216.328 2.985 30 20 BFED C=CCN[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 275653273 FDTDOEVKIQJISQ-GDBMZVCRSA-N 244.382 2.815 30 20 BFED CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(C#N)oc1C 281280516 LVLSEXGXOILRSB-KOLCDFICSA-N 246.310 2.863 30 20 BFED CC1(C)CC[C@H]1Nc1ncccc1C#N 286331122 HWLJMJOGFCQJCB-SNVBAGLBSA-N 201.273 2.554 30 20 BFED C=CCCCC(=O)NC[C@@H]1CCCSC1 288326523 KQKBOEOHIRSOPY-NSHDSACASA-N 227.373 2.602 30 20 BFED C=CCC(C)(C)CNC(=O)CCc1ccco1 294279293 PSICKIJESOZKTJ-UHFFFAOYSA-N 235.327 2.931 30 20 BFED CC#CCN(C)C(=O)[C@H](c1ccccc1)C(C)C 294618939 RCZQDFGVUDMRJN-HNNXBMFYSA-N 243.350 2.908 30 20 BFED C=CCC(C)(C)C(=O)Nc1ccc(CCO)cc1 294940568 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C=CCCC1(C(=O)NC[C@H](C)CC)CC1 421589031 JAWHDUBNXBCLJS-LLVKDONJSA-N 209.333 2.895 30 20 BFED C=CCCCC[C@@H](C)NC[C@H](N)C(C)C 423274162 LMMLFMXQSOHXFQ-OLZOCXBDSA-N 212.381 2.694 30 20 BFED C=CCn1cc(CNC2CCC(CC)CC2)nn1 424167565 CRKDZAOYGWQZRD-UHFFFAOYSA-N 248.374 2.523 30 20 BFED C=C(C)C(C)(C)C(=O)NCc1ccc(C#N)s1 424893634 PAKOFIVRUIIXIG-UHFFFAOYSA-N 248.351 2.838 30 20 BFED CC(C)[C@@H]1N(C[C@@H](C#N)CCC#N)CC1(C)C 431117907 CGFDPAJEFWWGPY-OLZOCXBDSA-N 233.359 2.796 30 20 BFED CN(CC(C)(C)C#N)c1ccnc2ccncc12 432135913 NHLABYMGAPDSLM-UHFFFAOYSA-N 240.310 2.616 30 20 BFED C=CCCCC[C@@H](C)NC[C@H](CO)C1CC1 449335798 LWFPCNAOIIOMFW-TZMCWYRMSA-N 225.376 2.729 30 20 BFED N#Cc1cccc(N[C@H]2CC[C@@H](F)C2)c1[N+](=O)[O-] 450535424 MXVNGIISQPRGSX-ZJUUUORDSA-N 249.245 2.769 30 20 BFED C=C(C)CCNC(=O)c1cccc(C(C)=O)c1 452717679 MOUSMCHXJFTOAT-UHFFFAOYSA-N 231.295 2.585 30 20 BFED C=C(CC)CNC(=O)N[C@H](C)[C@H](C)CC 454383217 LLWFENQEELBQJU-GHMZBOCLSA-N 212.337 2.686 30 20 BFED 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C[C@H](CC#N)N(C)CC1Cc2ccccc2C1 577252615 QIVZOUOXFQYGOF-GFCCVEGCSA-N 228.339 2.635 30 20 BFED C=CC(C)(C)C(=O)N[C@@H](C)c1cccc(C#N)c1 590672839 BKPYDHRAHORNGO-NSHDSACASA-N 242.322 2.948 30 20 BFED C=CCCSCCc1cncc(C)n1 593189481 QRWDOEQCGHFRAK-UHFFFAOYSA-N 208.330 2.637 30 20 BFED C[C@H](COCC1CC1)Nc1cccc(F)c1C#N 593507584 IHDDSHJIRFCLQY-SNVBAGLBSA-N 248.301 2.924 30 20 BFED C=C1CCN(CCc2ccc(C#N)cc2)CC1 595313393 UPZLCXGZUXPYGJ-UHFFFAOYSA-N 226.323 2.753 30 20 BFED CCN(CCCCC1CCOCC1)[C@@H](C)C#N 595821389 VCJWQGFMPIBGMY-ZDUSSCGKSA-N 238.375 2.817 30 20 BFED CCc1ccc(CNc2c(C#N)cnn2C)s1 596076525 AMSVABAOEZOVMC-UHFFFAOYSA-N 246.339 2.528 30 20 BFED CCC(CC)CN(CCC#N)c1ccc(C)nn1 596172434 KGKRWIJDGBWRPM-UHFFFAOYSA-N 246.358 2.941 30 20 BFED CCc1nc(C)c(Cn2cc(C)c(C#N)c2)o1 596265339 KDUFOXGCKLESOA-UHFFFAOYSA-N 229.283 2.575 30 20 BFED N#CC[C@H]1CCCN(C(=O)C2CCC=CCC2)C1 602178676 PPGAXOOHCGQAJQ-CYBMUJFWSA-N 246.354 2.885 30 20 BFED C[C@H](CCC#N)CNCc1cccc(N(C)C)c1 602541873 RPFOZXPEONIWRR-CYBMUJFWSA-N 245.370 2.782 30 20 BFED CC[C@@H](C)[C@H](CNCC(C)(C)CC#N)OC 602691760 SBCZRQPHCGHEOX-NEPJUHHUSA-N 226.364 2.577 30 20 BFED C[C@H](CCC#N)CN[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 602720371 YRAJJLNWCXSOMX-XNJGVTPASA-N 218.344 2.560 30 20 BFED COC(=O)CS[C@@H](C)c1ccc(C#N)cc1 609813706 FMAPOAMJJKXBTP-VIFPVBQESA-N 235.308 2.525 30 20 BFED C=CC[C@@H]1CCCN(C(=O)Cc2ccoc2)C1 617779649 GAJCUHNMFFQRHJ-GFCCVEGCSA-N 233.311 2.637 30 20 BFED C=C[C@@](C)(CC)C(=O)N(C)CC1=CCSC1 620854276 WHPIZYUEUQAALE-ZDUSSCGKSA-N 239.384 2.720 30 20 BFED C=CCCN[C@@H]1CCCc2ncccc21 631646341 HNPSFAVQNVYSOF-GFCCVEGCSA-N 202.301 2.625 30 20 BFED C=CCCCCNC(=O)C1(c2ccccn2)CC1 632520585 XSHVIPJPPRVNIK-UHFFFAOYSA-N 244.338 2.586 30 20 BFED C=C(CC)CN1C[C@@H](C)OC2(CCCC2)C1 646134409 ADZVGDYSGWHKEQ-CYBMUJFWSA-N 223.360 2.986 30 20 BFED C=C(CC)CNC(=O)NC1(C2CCC2)CC1 651144033 ULIYLOOUFIHSHK-UHFFFAOYSA-N 222.332 2.585 30 20 BFED C=CC[C@H](C)N[C@H](COC)CC(C)(C)C 651713358 MXVRJHUNXGGHCR-RYUDHWBXSA-N 213.365 2.992 30 20 BFED C=CCNCc1cc(F)ccc1OC(F)F 657287414 LQCWRTPPRNPHDD-UHFFFAOYSA-N 231.217 2.703 30 20 BFED C=CCN(C)Cc1cccc(OC)c1Cl 660327713 FAXXDSTWHQGWER-UHFFFAOYSA-N 225.719 2.966 30 20 BFED C=CC[C@@H](C)NC(=O)NCC[C@H](C)CC 660680042 AUSCKCGFYMKCIC-GHMZBOCLSA-N 212.337 2.686 30 20 BFED C=CCN(CCC(C)(C)C)[C@H](C)COC 661240990 VBBWORSNDLXAQK-GFCCVEGCSA-N 213.365 2.946 30 20 BFED C=CCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1 661564693 CYBYSYAPTCKNQU-CYBMUJFWSA-N 248.301 2.858 30 20 BFED C=CCCCCCN1C(=O)[C@H]2CC[C@@H](C2)C1=O 664152544 OINFHWIXCFEDBC-RYUDHWBXSA-N 235.327 2.518 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@@H](C)C[C@H]1CCOC1 682361455 WGJBDWNUXIVDOF-OUCADQQQSA-N 239.359 2.520 30 20 BFED CC[C@H](C)CCNC[C@H](O)c1ccc(C#N)cc1 696255281 CLPJMVWFDJUWSU-WFASDCNBSA-N 246.354 2.617 30 20 BFED C=CCC[C@@H](C)NC[C@@H](C)CC1(C)OCCO1 715945340 SXZNOEWDYPRKKC-QWHCGFSZSA-N 241.375 2.720 30 20 BFED C=CCCC(C)(C)NCc1cc(C(=O)O)co1 717947955 PLYYLCDOMPREKP-UHFFFAOYSA-N 237.299 2.812 30 20 BFED CC(C)C[C@H](C#N)NC(=O)/C=C\c1cccs1 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2.831 30 20 BFED CC[C@](C)(C#N)C(=O)OCc1ccccc1C 797271030 SFKAVIDMBLKSFF-CQSZACIVSA-N 231.295 2.978 30 20 BFED Cc1ccccc1C(=N)NOCCC(C)(C)C#N 799959662 JKJFAUBMBGOAIP-UHFFFAOYSA-N 245.326 2.781 30 20 BFED C=C(C)CCOC(=O)c1ccc(O)cc1F 803418433 YAYLZBVDIINKFR-UHFFFAOYSA-N 224.231 2.654 30 20 BFED N#Cc1ccc2c(c1)C(=NOC/C=C\Cl)CC2 811671380 DLUYORBVGOYSID-JUIIPUMSSA-N 246.697 2.978 30 20 BFED CC(=O)Nc1ccsc1C=NOC1CCC1 812237116 KYMFIQJZCNKOFW-UHFFFAOYSA-N 238.312 2.610 30 20 BFED Cn1cc(C=NOCC2CC2)c2ccccc21 814243482 YQWIAIQFXOFFFC-UHFFFAOYSA-N 228.295 2.939 30 20 BFED C[C@@H]1CC(=NNc2ccc(C(=O)O)cc2)[C@@H]1C 814680722 FYQZBMOBYLBASX-RKDXNWHRSA-N 232.283 2.829 30 20 BFED C#CCOCSc1ccc2c(c1)CCC2 814730398 OXUWQVPCIMLBJD-UHFFFAOYSA-N 218.321 2.875 30 20 BFED CC(C)[C@H]1CCCCC1=NN[C@@H]1CCC[C@H]1O 817336744 GFMGOJSFCPONSC-MRVWCRGKSA-N 238.375 2.692 30 20 BFED C=CCCCC(=O)Nc1ccccc1C(=O)O 819713235 DMUIWGYTBUFZNE-UHFFFAOYSA-N 233.267 2.680 30 20 BFED Cc1ccc(CNC(=O)C#CC(C)C)c(C)c1 821038945 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30 20 BFED C=CC(C)(C)CC(=O)N(C)C[C@H]1CCCCO1 878373532 MVVOCLJYNIAUSU-GFCCVEGCSA-N 239.359 2.616 30 20 BFED C#CCSCC(=O)Nc1ccccc1CC 887656121 HIPGLQKRMPDSPP-UHFFFAOYSA-N 233.336 2.554 30 20 BFED C=CCN(C(=O)C1CCC(=C)CC1)C1CC1 889851881 YSCLZGMRGFOXIL-UHFFFAOYSA-N 219.328 2.910 30 20 BFED C=C[C@H](C)NC[C@H]1CCc2ccccc21 893114998 ZMXKJUDCMBFTMD-WCQYABFASA-N 201.313 2.881 30 20 BFED C=C1CC(c2noc([C@@H]3O[C@H](C)C[C@@H]3C)n2)C1 896877080 GFFGNUVDPINBEP-IQJOONFLSA-N 234.299 2.989 30 20 BFED C#Cc1ccc(C(=O)NCCC2(C)CC2)cc1 897615491 UKOCSXIGCGDYPL-UHFFFAOYSA-N 227.307 2.588 30 20 BFED C#Cc1ccc(N[C@@H]2CCN3CCC[C@@H]3C2)cc1 898504814 JHPRAGQTNFLLGJ-HZPDHXFCSA-N 240.350 2.707 30 20 BFED C=CCCCCC[C@@H](C)NC[C@@H]1CCN1C 903317860 NPDSZPZHXAERFU-KGLIPLIRSA-N 224.392 2.805 30 20 BFED C=CC(C)(C)NCc1cc(C(=O)O)c(CC)o1 905811559 XGBZYWUEUGQJHZ-UHFFFAOYSA-N 237.299 2.594 30 20 BFED C=C[C@H]1CCCCN1C(=O)/C=C(\C)Cl 907806770 HSRVLVWPIUANHZ-DDXVTDLHSA-N 213.708 2.696 30 20 BFED O=C(O)c1cccc(NN=Cc2ccccc2)c1 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CCN(Cc1c(C)nn(CC)c1C)C[C@@H](C)C#N 91983030 PPNKSYUBGORYGA-NSHDSACASA-N 248.374 2.501 30 20 BFED C=CCNC(=O)C1(CC(C)C)CCCC1 94794779 XZYDVBNXYFYVCV-UHFFFAOYSA-N 209.333 2.895 30 20 BFED C#Cc1cccc(NC(=O)C[C@H]2CCCCO2)c1 94815553 FCKGFKYEZHYGNL-CQSZACIVSA-N 243.306 2.566 30 20 BFED CCN(CCC#N)C(=O)C[C@H]1CCC[C@@H](C)C1 103210530 NADZKAQOGVRKTH-OLZOCXBDSA-N 236.359 2.965 30 20 BFED CCCCCCCC(=O)N1CCC[C@@H](NC)C1 103614767 OFXZPCGDUWASNR-CYBMUJFWSA-N 240.391 2.557 30 20 BFED N#C[C@@H](NC(=O)C1CCC1)c1ccc(Cl)cc1 106420295 QDONKILGFOSCFY-GFCCVEGCSA-N 248.713 2.821 30 20 BFED CCCCCCCCC(=O)NC[C@@H](C)C(=O)O 107829194 ULOQTBJSCVVNCU-LLVKDONJSA-N 243.347 2.574 30 20 BFED Cc1ccc(C#N)c(NCCOC2CCCC2)n1 108943166 GWBMMNLRCDGASI-UHFFFAOYSA-N 245.326 2.633 30 20 BFED C=CCN(C)[C@H]1CCCc2nc(C)sc21 111312678 PJYPENUSSDATRZ-NSHDSACASA-N 222.357 2.947 30 20 BFED C#Cc1cccc(NC(=O)c2cccnc2C)c1 113551909 BLEIOMGCQAUMGP-UHFFFAOYSA-N 236.274 2.624 30 20 BFED C=CC[C@H](C)NC(=O)N(C)CCC(C)C 116972601 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C=CCN(C)C(=O)c1cccc(C(F)(F)F)c1 161334978 DEGVVUYTFKPCSC-UHFFFAOYSA-N 243.228 2.963 30 20 BFED CC[C@@H](COC)Nc1ccccc1O[C@@H](C)C#N 162263934 KJGWHJMQCOCJRT-RYUDHWBXSA-N 248.326 2.814 30 20 BFED C=C(C)CNCc1ccc2c(c1)CCC2 167537158 JAJUREKUNXWYQU-UHFFFAOYSA-N 201.313 2.841 30 20 BFED C=C(C)CCN[C@@H](C)c1c(C)noc1C 168054641 AYKNXFANRZJBIM-VIFPVBQESA-N 208.305 2.908 30 20 BFED C#CCCOC(=O)[C@H](C)CCc1cccc(F)c1 174057945 PXXAAVNHYRRJAO-GFCCVEGCSA-N 248.297 2.961 30 20 BFED C#CCCCN[C@@H](C)c1cc(OC)ccc1OC 178053453 QDPBEVGTQRYQMF-LBPRGKRZSA-N 247.338 2.768 30 20 BFED C=CCN[C@H](C)c1cccc(OCC)c1 180691193 NEMDCCKWOUFOJM-LLVKDONJSA-N 205.301 2.922 30 20 BFED C=CC[C@@H](C)N[C@@H](CC(C)C)C(=O)OCC 180998247 ROKGGPJUOBMVAW-NEPJUHHUSA-N 227.348 2.518 30 20 BFED C[C@@H]1CCC[C@H](OC(=O)CSCC#N)[C@@H]1C 182033465 JIWDQWURLIFPRP-MXWKQRLJSA-N 241.356 2.611 30 20 BFED C[C@H]1CC[C@@H](COc2ccccc2C#N)O1 188521032 VQTYNTUEWHLGSN-JQWIXIFHSA-N 217.268 2.505 30 20 BFED C=CCCC[C@@H](C)NCc1cc(C#N)n(C)c1 191561977 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238.308 2.507 30 20 BFED COc1ccc(C(C)=NOCC2CC2)cc1OC 814243318 PZXUVRMVIIPFIV-UHFFFAOYSA-N 249.310 2.854 30 20 BFED COc1ccc(C=NOCCC2CC2)cc1 814245437 RVZBVRCCBYQHFK-UHFFFAOYSA-N 219.284 2.846 30 20 BFED CON=C1CCCSc2ccc(OC)cc21 814795482 FRCFDEPMULOAGA-UHFFFAOYSA-N 237.324 2.932 30 20 BFED CC(C)OC1CC(=NNc2ccc(F)cn2)C1 814842693 OPQIKUSFFRQPLE-UHFFFAOYSA-N 237.278 2.576 30 20 BFED Clc1c[nH]ccc1=NN=C1C[C@H]2CC[C@H]1C2 814868782 IXVLHNNVFAHLOX-IUCAKERBSA-N 235.718 2.745 30 20 BFED C=CCOC(=O)c1ccc2c(c1)CCCC2=O 815373638 GNGXBDADOFELCT-UHFFFAOYSA-N 230.263 2.548 30 20 BFED CC[C@H]1CCC[C@H](C=NN[C@@H]2CCC[C@H]2O)C1 817335502 HONXZNULBXKYQA-IGQOVBAYSA-N 238.375 2.692 30 20 BFED C=C(C)C(C)(C)C(=O)OC[C@@H]1CCCOC1 819957637 MWWIFWRCBUPYEJ-LLVKDONJSA-N 226.316 2.559 30 20 BFED CC1(C)CC[C@@H](OC(=O)c2c[nH]c(C#N)c2)C1 820588399 OQAHOESFNSLBCI-LLVKDONJSA-N 232.283 2.622 30 20 BFED C=C[C@H](CC)CC(=O)N1C[C@@H](CC)OC[C@@H]1C 823920674 ZSMTXBUSEUGHCO-YNEHKIRRSA-N 239.359 2.615 30 20 BFED 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C=CCNC(=O)[C@@H](C)Sc1cccc(F)c1 177598555 XIUKELJRXPVJDX-SECBINFHSA-N 239.315 2.609 30 20 BFED Oc1ccc2ccccc2c1/C=N/[C@H]1CCOC1 178885863 GWUFBDOGOFTBPR-RGZVIEDOSA-N 241.290 2.753 30 20 BFED Cc1ncc(-c2ccc(NC(=O)CC#N)cc2)o1 185268650 JFAAUDNDYPEIJN-UHFFFAOYSA-N 241.250 2.502 30 20 BFED C#CCCCC(=O)Nc1cccc2cccnc12 192077041 UBQXWBXUULGDMP-UHFFFAOYSA-N 238.290 2.977 30 20 BFED C#CCCCC(=O)NCc1ccccc1OCC 192086745 NLZILHLDHAQORB-UHFFFAOYSA-N 245.322 2.505 30 20 BFED C#CCN(C)Cc1ccc(F)c(Cl)c1 192237368 GSCAXAWXFMLWGX-UHFFFAOYSA-N 211.667 2.544 30 20 BFED C#CCCCN[C@H]1CCc2c(cccc2OC)C1 192443782 BJUNRIAPRYNHDV-AWEZNQCLSA-N 243.350 2.556 30 20 BFED CSC1(CNCC(C)(C)CCC#N)CC1 193656301 ILVSMBDHZUMMGO-UHFFFAOYSA-N 226.389 2.802 30 20 BFED C=C(CN[C@H](COC)C(C)C)c1ccccc1 211851928 NDHUAPNSHRWGAO-OAHLLOKOSA-N 233.355 2.960 30 20 BFED Cc1nnc(NCC2(C(C)C)CC2)c(C#N)c1C 227824143 AZSISRZELOIMGX-UHFFFAOYSA-N 244.342 2.813 30 20 BFED C#CCCCNc1cc(F)cc(C#N)c1 229849219 JZJIJLYRICKWNQ-UHFFFAOYSA-N 202.232 2.523 30 20 BFED Cc1ccnc(NC[C@@H]2CC2(C)C)c1C#N 230078913 PLUJYAWVICSYCO-JTQLQIEISA-N 215.300 2.720 30 20 BFED C=CCCOCCNc1nc2ccccc2[nH]1 230490244 JUDAEFBTRGXWAD-UHFFFAOYSA-N 231.299 2.568 30 20 BFED CC(C)=CCNc1ccc([N+](=O)[O-])cc1C#N 232641913 XVPCZNPSFDGLOB-UHFFFAOYSA-N 231.255 2.845 30 20 BFED Cc1csc(C(=O)NCCCC#N)c1Cl 235829189 BFQLUTDUKORYBU-UHFFFAOYSA-N 242.731 2.744 30 20 BFED C=CCCC(=O)NCCCN(C)c1ccccc1 264005440 SRABWMBZSUYUCQ-UHFFFAOYSA-N 246.354 2.595 30 20 BFED C[C@@H]1CCN(c2ccc(C#N)cc2)[C@@H]1C 267728217 VLSPJPANQNEHRA-GHMZBOCLSA-N 200.285 2.793 30 20 BFED C=CCC(CC=C)C(=O)N[C@H]1CC1(C)C 268213605 QWSSBJCKKZGENE-NSHDSACASA-N 207.317 2.670 30 20 BFED N#CCc1ccc(-c2nc(C3CC3)no2)cc1 270364177 YJVVSBKCOHFBBN-UHFFFAOYSA-N 225.251 2.680 30 20 BFED C=CCN(C(=O)c1ccc(Cl)cn1)C1CC1 271609735 ZTTBHFXWLDYBQF-UHFFFAOYSA-N 236.702 2.526 30 20 BFED COc1ccccc1CN(C)[C@H](C)CCC#N 276313064 MUUHBDZBNFREAS-GFCCVEGCSA-N 232.327 2.819 30 20 BFED C=CCCN(C)C[C@@H](O)c1ccc(C)cc1 276385081 IRQBBMRUBPMUAO-CQSZACIVSA-N 219.328 2.536 30 20 BFED CC(C)=CCCNc1cccc(C#N)n1 276845949 XDDDALKBIDGQRW-UHFFFAOYSA-N 201.273 2.721 30 20 BFED C=C(C)CSCC(=O)Nc1nc(C)cs1 282305309 XIODVYSZMPMNFX-UHFFFAOYSA-N 242.369 2.699 30 20 BFED CC#CC(=O)Nc1cccc(OCCCC)c1 282629218 BNVZOWCAZMLNNP-UHFFFAOYSA-N 231.295 2.827 30 20 BFED C=CCCCC(=O)N[C@@H](c1ncc[nH]1)C(C)C 283120882 WIAQVHFIQQBVBK-GFCCVEGCSA-N 235.331 2.579 30 20 BFED CC#CC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 283790628 OZXKGJAUOLOSLQ-OCCSQVGLSA-N 245.297 2.601 30 20 BFED N#Cc1ccc(OCCOC2CCC2)c(F)c1 286622001 UZXOZJXGOMNCLP-UHFFFAOYSA-N 235.258 2.645 30 20 BFED Cc1nc(N(C)C(C2CC2)C2CC2)ccc1C#N 291581016 GBRZDVRYPLXSGK-UHFFFAOYSA-N 241.338 2.887 30 20 BFED Cc1nc(N2CC[C@@H](C)[C@H](C)C2)ccc1C#N 292057729 WJZANCKCRUXLOZ-GHMZBOCLSA-N 229.327 2.744 30 20 BFED C=CC[C@H](C)[C@H](C)NCCc1nccnc1C 295094066 VCRWMFAUAKRGSM-RYUDHWBXSA-N 233.359 2.518 30 20 BFED C=CCC1(C(=O)NC/C=C/CC)CCC1 296013762 UCKWZSIEWUTIDL-AATRIKPKSA-N 207.317 2.815 30 20 BFED N#Cc1ccc(NC(=O)N2CCC[C@@H]2CF)cc1 296052363 BFZLWWAZYKPRJF-GFCCVEGCSA-N 247.273 2.524 30 20 BFED Cc1nc(CSc2ccc(C#N)cn2)oc1C 299114629 CVVPUCWQEIEKJU-UHFFFAOYSA-N 245.307 2.850 30 20 BFED CC(C)C[C@@H]1CCCN(c2ccc(C#N)nn2)C1 301909367 BATUCTXHOXEBNK-LBPRGKRZSA-N 244.342 2.611 30 20 BFED CN(c1cccc(F)c1C#N)[C@@H]1CC1(C)C 302843652 FGLXNEMXCVVEJP-GFCCVEGCSA-N 218.275 2.932 30 20 BFED CSc1ccc(OCCO[C@@H](C)C#N)cc1 304229912 KJIVPDAJZMUQKB-JTQLQIEISA-N 237.324 2.716 30 20 BFED C=C(C)COCCNC(=O)[C@@H](CC)CC(C)C 308025390 VIQCZRLGBWGCGU-ZDUSSCGKSA-N 241.375 2.768 30 20 BFED C=CCC[C@H](CO)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 321033092 QWBBQTVXSDIAMZ-SDSMMKDESA-N 249.398 2.728 30 20 BFED C=CCN(CC/C=C\c1ccccc1)CC(=O)O 323327615 UXYMUTLLERDZEF-POHAHGRESA-N 245.322 2.663 30 20 BFED OC(=Nc1nncn1C1CC1)C1[C@H]2CCCC[C@H]12 329127306 UUIZBIBSFBSYAV-UWVGGRQHSA-N 246.314 2.637 30 20 BFED C[C@@H]1CCC[C@H](/N=C(/O)CCc2cnccn2)C1 329956065 LAXQDBWFLDRPSY-NEPJUHHUSA-N 247.342 2.944 30 20 BFED Cc1cc(NC(=O)CC#N)ccc1C1CC1 334148471 YJROMBBFTIXTOE-UHFFFAOYSA-N 214.268 2.725 30 20 BFED C[C@@H]1C[C@@]1(C#N)c1nc(CC2CCCCC2)no1 334529315 MKWGCLYPRISIDT-YGRLFVJLSA-N 245.326 2.994 30 20 BFED Cc1cc(-c2noc([C@]3(C#N)C[C@@H]3C)n2)c(C)o1 334652131 RQBPLXZNUYVFOF-CPFSXVBKSA-N 243.266 2.748 30 20 BFED Cc1nsc(N[C@@H]2C[C@H]2c2ccco2)c1C#N 334820470 XTGISLIUOJBQGT-PSASIEDQSA-N 245.307 2.884 30 20 BFED N#CCCS[C@H]1CCc2ccccc2NC1=O 335236537 WNOXDCQWBGXSIK-LBPRGKRZSA-N 246.335 2.587 30 20 BFED CN(C)C1CCC(N[C@@H]2CCC[C@H](C#N)C2)CC1 335490945 HNESZCITHCZHMJ-FGZQJIAISA-N 249.402 2.531 30 20 BFED CN(Cc1cccc(C#N)c1)[C@H]1CC[C@H](C#N)C1 335737024 TXLANTDHUOGDCM-ZFWWWQNUSA-N 239.322 2.682 30 20 BFED CC1(C(=O)N2CCC(CC#N)CC2)CCCC1 336034227 KKMOKDXEURCGNJ-UHFFFAOYSA-N 234.343 2.719 30 20 BFED N#Cc1cc(N2CC[C@H](F)C2)nc2ccccc12 336189307 OANWMFWPHXBEAB-NSHDSACASA-N 241.269 2.655 30 20 BFED CC(C)(C#N)CN=c1[nH]c2cccc(F)c2s1 336195285 APSHGBKIUDXKHT-UHFFFAOYSA-N 249.314 2.819 30 20 BFED C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc2[nH]ccc12 336239947 LNKHFEKIWSRPKN-YMTOWFKASA-N 239.278 2.656 30 20 BFED C=C(C)Cn1c(C)nnc1N1C[C@@H](C)CC[C@@H]1C 336400383 IINUWPYJRBFEGX-RYUDHWBXSA-N 248.374 2.787 30 20 BFED C=CCCCC[C@H](C)N[C@@H](C)CCCO 336756820 JUYDVVJVEJDXKI-STQMWFEESA-N 213.365 2.872 30 20 BFED C=CC[C@H](CC)NC(=O)[C@H]1CCO[C@H](CC)C1 337054799 AQJJQJBHLBIZRH-RWMBFGLXSA-N 239.359 2.663 30 20 BFED C=CCCN(C)c1c(C#N)nnc2ccccc12 341458295 GUHHXDXHYYEYJG-UHFFFAOYSA-N 238.294 2.514 30 20 BFED C=CCOCC(=O)Nc1ccc(C)c(OCC)c1 342459790 BNUPGARBSGOVRI-UHFFFAOYSA-N 249.310 2.535 30 20 BFED CC(C)[C@H]1C[C@H]1C(=O)Nc1ccccc1CC#N 344337460 NTNRLLWAFNZYGM-CHWSQXEVSA-N 242.322 2.983 30 20 BFED C=C(CNC(=O)c1ccccn1)c1ccccc1 345731076 RLILRRZROKOKPH-UHFFFAOYSA-N 238.290 2.525 30 20 BFED N#CCCN(Cc1ccco1)C(=O)C1=CCCC1 348321882 NCJWNZCPJHPFHM-UHFFFAOYSA-N 244.294 2.632 30 20 BFED C=CCCc1csc(-c2nccn2C)n1 355401004 INCCORCOJWTFKT-UHFFFAOYSA-N 219.313 2.662 30 20 BFED C[C@H]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)[C@H]1C 357519363 XDDLWMDLAIMJQO-UWVGGRQHSA-N 245.282 2.701 30 20 BFED CS[C@@H](C)CCC(=O)N[C@](C)(C#N)C(C)C 358423367 GPILJVPILVKRBK-CMPLNLGQSA-N 242.388 2.573 30 20 BFED C=C(CC)CN(C)Cc1ccccc1[N+](=O)[O-] 358516223 YYWIFSBCPUJSJJ-UHFFFAOYSA-N 234.299 2.993 30 20 BFED C=C(CC)CSCc1nc([C@@H](C)OC)no1 358632998 CNTGGDZJOKYJBI-SECBINFHSA-N 242.344 2.976 30 20 BFED C=C[C@H](C)NC(=O)N[C@@H](C)c1cccc(OC)c1 362371712 UIKIMULKGHNNCA-QWRGUYRKSA-N 248.326 2.630 30 20 BFED C=C[C@H](C)NC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 362658103 LGKJEBRQHRCGTQ-NOOOWODRSA-N 224.348 2.685 30 20 BFED CCCN(CCC)C(=O)c1ccc(C#N)s1 362983813 VUQDFZOWZDYNHL-UHFFFAOYSA-N 236.340 2.882 30 20 BFED C=C(C)CN1CCOc2cccc(F)c2C1 374674425 ZJFNGJQXVHFFKN-UHFFFAOYSA-N 221.275 2.596 30 20 BFED C=CC(C)(C)CNCc1c(C)noc1C 385040692 NRAVHBOUYWGYFA-UHFFFAOYSA-N 208.305 2.593 30 20 BFED C#CCCCN[C@H](C(C)(C)C)C(F)(F)F 389905775 GXBNBAJZQPNYFF-SECBINFHSA-N 221.266 2.966 30 20 BFED C=CCC[C@H](O)CN[C@@H]1CCCC[C@@H]1CC 390427914 NJFUCRVJHUFIAO-MELADBBJSA-N 225.376 2.872 30 20 BFED C[C@H](C(=O)N1CCC(CCC#N)CC1)C1CC1 399260891 BTOVMOUVYXDICX-NSHDSACASA-N 234.343 2.575 30 20 BFED C[C@H](C(=O)[C@@H](C#N)c1ccccn1)C(C)(C)C 399325727 SAPILJZZVFKOKK-MNOVXSKESA-N 230.311 2.940 30 20 BFED CCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 411738642 LSNZSJZKSUUDKN-UONOGXRCSA-N 242.322 2.530 30 20 BFED CCC[C@H](O)CSc1cccc(C#N)c1 413003356 WUSFSYUUJGLVNE-NSHDSACASA-N 221.325 2.811 30 20 BFED C=CCSCc1cccc(S(C)(=O)=O)c1 419411016 PNKWXTRRPIWNRQ-UHFFFAOYSA-N 242.365 2.509 30 20 BFED Cc1cc(F)c(CN(C)C[C@@H](C)C#N)c(F)c1 425321688 FRCXTFDMDPQDJT-JTQLQIEISA-N 238.281 2.865 30 20 BFED CC1=C(C(=O)NCC#Cc2ccccc2)CCC1 437236966 HUBBCRXNLDXGFL-UHFFFAOYSA-N 239.318 2.655 30 20 BFED C=C[C@@H]1OCC[C@H]1N[C@@H](C)Cc1ccccc1F 449516443 AYBLTZQKERLUNS-GLQYFDAESA-N 249.329 2.690 30 20 BFED C=CC[C@@H](C)NC(=O)c1c(C2CC2)noc1C 449892125 XOQDXAUGPRQVNW-MRVPVSSYSA-N 234.299 2.555 30 20 BFED CC(F)(F)CCNc1c(C#N)cccc1C#N 450563042 WGAKOLGPBZDZAL-UHFFFAOYSA-N 235.237 2.887 30 20 BFED C[C@H]1C[C@@H](C(=O)NCC2(CC#N)CC2)CC[C@H]1C 451386825 XOJPPSSCYPLLPC-AGIUHOORSA-N 248.370 2.869 30 20 BFED C=CCCC1(C(=O)N2CC[C@@H](SC)C2)CC1 452555921 ZNWFRICMZQNWCP-LLVKDONJSA-N 239.384 2.697 30 20 BFED C=CC[C@H](C)[C@H](C)NC[C@@H]1CC[C@H](C)O1 453419978 XQKRKMCGPQBMAC-CYDGBPFRSA-N 211.349 2.744 30 20 BFED C=CC(C)(C)CNC(=O)N[C@@H](C)[C@H](C)CC 454395946 SCTOHVIFTSKXQJ-MNOVXSKESA-N 226.364 2.932 30 20 BFED C=C(C)CCNC(=O)N[C@H](C1CCC1)C1CC1 455321509 JGCFIWUEZDHWTL-CYBMUJFWSA-N 236.359 2.831 30 20 BFED C=C(CC)CNC(=O)C1(CC(C)C)CC1 456815743 ZDXAIPQHKOTIGL-UHFFFAOYSA-N 209.333 2.895 30 20 BFED C=C(CC)CNC(=O)[C@@H](OCC)c1ccccc1 456824110 DAOLSDNQYDAQNW-AWEZNQCLSA-N 247.338 2.847 30 20 BFED C=CCCCC(=O)N[C@]1(C)CC=CCC1 458302654 CIHQRQWKGOHBEC-CYBMUJFWSA-N 207.317 2.958 30 20 BFED C=CC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 459897924 YWWHVZWCHCUPQF-UHFFFAOYSA-N 234.255 2.746 30 20 BFED C=CCC[C@H](CCC)NCCN1CC=CCC1 475495515 MGGZPBNLVUJLAF-HNNXBMFYSA-N 236.403 2.973 30 20 BFED C#C[C@@H](CC)NC(=O)Nc1ccc(OCC)cc1 491221307 VLOLOTHXVIEFCK-NSHDSACASA-N 246.310 2.619 30 20 BFED C#CCN(C(=S)Nc1ccsc1)C1CC1 491654063 DVTDNAZGMKWFBC-UHFFFAOYSA-N 236.365 2.543 30 20 BFED C/C=C/C=C\C(=O)N(C)c1ccccc1C#N 492152116 BYFNHNWBHWDHGW-STMOGGTPSA-N 226.279 2.653 30 20 BFED CC[C@H](CC#N)NC(=O)C1(C(F)F)CCCC1 521312341 VZTWBZUFJUQPQX-SECBINFHSA-N 244.285 2.620 30 20 BFED COCc1ccc(NC(=O)CC(C)C)cc1C#N 529816329 JFEILBHIMMVZNS-UHFFFAOYSA-N 246.310 2.689 30 20 BFED CC(C)N(CCC#N)C(=O)[C@@H]1CC[C@@H](C)C1 538525669 FWKGSXOCQLVYMM-VXGBXAGGSA-N 222.332 2.573 30 20 BFED C=CCCOCCCCC(=O)NC1(C)CCC1 540483041 WELULECGIWWQCM-UHFFFAOYSA-N 239.359 2.808 30 20 BFED C[C@@H](CC(=O)NC(C)(C)C#N)c1ccccc1F 540972861 SQCSEMOALGBQCG-JTQLQIEISA-N 248.301 2.738 30 20 BFED CCC[C@H]1CCCC[C@H]1NCCOCCC#N 555427832 OJFXBJWAWDJKBW-UONOGXRCSA-N 238.375 2.865 30 20 BFED C=CCCCCN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O 562716041 JOVLOANWENBSKC-ZNMIVQPWSA-N 237.387 2.968 30 20 BFED C[C@@H](N(C)c1ncc(C#N)cc1F)C(C)(C)C 562721662 OLMUKFUBRSJMAR-SECBINFHSA-N 235.306 2.963 30 20 BFED C=CCCCCCN(C[C@@H](C)C(=O)O)C1CC1 568992313 DIRQLPGALWAIRR-GFCCVEGCSA-N 239.359 2.918 30 20 BFED C[C@@H]1CCCC[C@H]1Cn1cc(C#N)ccc1=O 569743905 DSHWHRUGAKJOJC-YPMHNXCESA-N 230.311 2.546 30 20 BFED CC1(C)CCCN(Cc2ccc(C#N)cn2)CC1 571724562 SFNGJQGFKXSQGE-UHFFFAOYSA-N 243.354 2.965 30 20 BFED Cc1ccc(-c2ccnn2C)cc1NCCC#N 579584139 FZTAIOBZPDLQCC-UHFFFAOYSA-N 240.310 2.721 30 20 BFED C[C@H]1CCC[C@@H](C)[C@@H]1NC[C@H](C#N)CCC#N 579928999 KNWWYEYZPFAXTL-RFQIPJPRSA-N 233.359 2.844 30 20 BFED CCc1cnn(CCCC2(C#N)CCOCC2)c1 584665752 YSFIGIIAIYYRCW-UHFFFAOYSA-N 247.342 2.546 30 20 BFED CC(C)(CC#N)CN=c1ccnc(C(C)(C)C)[nH]1 591175941 IPVUHLFGLXPWJQ-UHFFFAOYSA-N 246.358 2.548 30 20 BFED C=CCCCCCN(C)c1ncncc1C#N 591915060 HIPIUKKIEMDGAF-UHFFFAOYSA-N 230.315 2.531 30 20 BFED CCC(C)(C)CC(=O)N(C)c1ccc(C#N)nc1 593272613 CEGAQPONDWURGI-UHFFFAOYSA-N 245.326 2.742 30 20 BFED C=CCC1(CNC(=O)[C@H](C#N)CC)CCCC1 593737327 ISEKWOZZSFBULH-LBPRGKRZSA-N 234.343 2.789 30 20 BFED C=CCCSCCNCc1ccco1 594959723 AWMYGCDPWXCAAR-UHFFFAOYSA-N 211.330 2.679 30 20 BFED C=CCCSCCN[C@H](COC)C(C)C 595061081 YFYSPTIDQSUWFW-GFCCVEGCSA-N 231.405 2.556 30 20 BFED N#Cc1ccc(CN2CC[C@@H]3C[C@H]3C2)cc1F 595808340 CYCOUQVFUNPLSF-YPMHNXCESA-N 230.286 2.539 30 20 BFED N#CCC1(Cn2nc(C3CC3)nc2C2CC2)CC1 596260129 ATZYRCLUOPCXDE-UHFFFAOYSA-N 242.326 2.727 30 20 BFED C[C@H](C#N)CN(C)C(=O)c1ccsc1Cl 596895014 QRGOWDKQXYVKMG-SSDOTTSWSA-N 242.731 2.633 30 20 BFED C=CCCSCCNC(=O)c1ccsc1 597974820 UHCWKFWGIKNMIK-UHFFFAOYSA-N 241.381 2.787 30 20 BFED CC[C@@H](C)CCNC(=O)c1ccc(C#N)cc1 597976017 QZLSAOUVINJTGD-LLVKDONJSA-N 230.311 2.724 30 20 BFED CN(C[C@@H]1CC1(C)C)C(=O)c1ccc(C#N)s1 598551102 QCTVOXOSIWTPPE-VIFPVBQESA-N 248.351 2.738 30 20 BFED C[C@H](CCC#N)CN1CCCC[C@@H]1c1cc[nH]n1 602661157 JRIMSKFWTFUCBV-TZMCWYRMSA-N 246.358 2.877 30 20 BFED C#CCCNc1nc(C)ccc1Br 606290355 MUIDOLODHQSYIB-UHFFFAOYSA-N 239.116 2.588 30 20 BFED C=CCC1(NC(=O)CC(C)(C)OC)CCCC1 619111422 WYPAWGYBIVZZMP-UHFFFAOYSA-N 239.359 2.807 30 20 BFED C=CC[C@H](CC)NCc1cnc(C2CC2)o1 628259058 FRJUQNHJSUGDQJ-NSHDSACASA-N 220.316 2.996 30 20 BFED C=CCCN(C)[C@@H](C)c1cnc(C)nc1C 639091498 PXNXZKKLPQSTFC-NSHDSACASA-N 219.332 2.662 30 20 BFED C=CCCNC[C@@H]1C[C@@H]1c1ccccc1 668481239 FLOZFUGEPYOWGS-UONOGXRCSA-N 201.313 2.956 30 20 BFED C=C(C)[C@H](CO)N1CC(C)(C)c2ccccc21 678048993 AIJFHELJSHEOMP-AWEZNQCLSA-N 231.339 2.721 30 20 BFED C=C[C@H]1CCCCN1C(=O)NCc1ccoc1C 683824394 ZEEIKLIGGHYPCP-ZDUSSCGKSA-N 248.326 2.838 30 20 BFED CC(=NNc1ccc(C)nn1)c1ccc(C)o1 729935943 XZRGPNJORZOXIM-UHFFFAOYSA-N 230.271 2.523 30 20 BFED Cn1ccnc1C(=O)/C=C/c1ccc(F)c(F)c1 735792994 PQMRVHKGXRKQNG-HWKANZROSA-N 248.232 2.594 30 20 BFED C[C@@H](CC#N)OC(=O)c1cc2occc2s1 737342587 ORTBIXFSLUVWQS-ZETCQYMHSA-N 235.264 2.953 30 20 BFED CCCNN=C1CCOc2ccc(C)c(C)c21 737429734 BCESRUKEEHSVQF-UHFFFAOYSA-N 232.327 2.790 30 20 BFED CC(Cc1ccccc1C)=NNCC(F)F 743441384 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760245976 APTIPRCXYRIDDY-UHFFFAOYSA-N 244.273 2.842 30 20 BFED C[C@H](OC1CCCCCC1)C(=O)O[C@H](C)C#N 761333064 ZUQBJGYIHLOESR-MNOVXSKESA-N 239.315 2.570 30 20 BFED C#CCCCCNC(=O)[C@H](C)C(CC)CC 761496983 OIDPHBDYTLVUJE-GFCCVEGCSA-N 223.360 2.978 30 20 BFED CC#CC(=O)N1CCC[C@@H]1CC1CCCCC1 764467029 ZFJODUDEWJCMJP-CQSZACIVSA-N 233.355 2.971 30 20 BFED C#CCN(C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C)C1CC1 764726034 DMUUYDNQIKWIBH-MBNYWOFBSA-N 248.370 2.618 30 20 BFED Cc1cc(OC(=O)[C@@H]2CCSC2)ccc1C#N 765094599 PBSGSHLNAMGDOD-LLVKDONJSA-N 247.319 2.525 30 20 BFED CC#CCCCC(=O)OCc1cccc(C#N)c1 767674483 WMUZZBJAJLTBOG-UHFFFAOYSA-N 241.290 2.795 30 20 BFED Cc1nnc(S)n1N=C[C@@H]1CCC[C@H](C)C1 768350936 BYZLULIXOVEMAS-WCBMZHEXSA-N 238.360 2.535 30 20 BFED C[C@H]1C[C@@H]1C(=O)OCc1ccc(Cl)cc1C#N 769314815 PLBVNXBBLICKFL-UFBFGSQYSA-N 249.697 2.911 30 20 BFED C=CCCCn1cc(C(=O)OC)nc1C1CC1 771662807 VUKHNGWYBQUOML-UHFFFAOYSA-N 234.299 2.513 30 20 BFED C#C[C@H](NCc1ccc(CC)s1)[C@H]1CCCO1 775347599 HTPQOSLOJBYKRV-UONOGXRCSA-N 249.379 2.581 30 20 BFED CC(C)OCCNN=Cc1cccc2[nH]ccc12 778547482 HZYLXQZKDOWDMQ-UHFFFAOYSA-N 245.326 2.516 30 20 BFED CC(C)OCCNN=Cc1cscc1Cl 778550137 KNFVGXLCRQLSGA-UHFFFAOYSA-N 246.763 2.750 30 20 BFED Fc1ccc(/C=C\C=NN=c2cc[nH]cc2)cc1 779806773 GSHAGMSNSIEQTB-BRTPMWTCSA-N 241.269 2.754 30 20 BFED CC(=NN=c1cc[nH]cc1)c1ccc(C)cc1 779809107 SZWINZFIAYDDOU-UHFFFAOYSA-N 225.295 2.648 30 20 BFED CC(Cc1ccccc1C)=NN[C@@H]1CCCOC1 780263362 UPJLHJNPOHNAFJ-OAHLLOKOSA-N 246.354 2.682 30 20 BFED Cc1ccoc1C=NN1Cc2ccccc2C1=O 781594769 FGTWRPGMNZSTNQ-UHFFFAOYSA-N 240.262 2.578 30 20 BFED C[C@H](CC1CCC1)NCc1ccc(C#N)cn1 783294860 XJSYPVPHXVCADX-LLVKDONJSA-N 229.327 2.622 30 20 BFED C=CCCN(C)C(=O)/C=C\c1ccccc1 786223588 OKJAVHWVHTVDRT-KHPPLWFESA-N 215.296 2.734 30 20 BFED CCOC1(C(=O)OCCCCC#N)CCCC1 792816310 HPVNMXYRFCESGF-UHFFFAOYSA-N 239.315 2.573 30 20 BFED CC[C@H](NN=CC1CCC(C)(C)CC1)C(=O)O 793077671 GJEKVANJCYZOFN-NSHDSACASA-N 240.347 2.641 30 20 BFED CC[C@@H]1C[C@H](C)CCC1=NN[C@H](CC)C(=O)O 793079771 TYEKKSBIXCSDRS-GMTAPVOTSA-N 240.347 2.641 30 20 BFED CC(=NNc1cc(C)ccn1)c1ccnc(F)c1 794918804 LZJKTTVTCLWKOB-UHFFFAOYSA-N 244.273 2.760 30 20 BFED COCCN(C)N=C(C)c1cc2ccccc2o1 794963400 SXJLCZOXBCQZSP-UHFFFAOYSA-N 246.310 2.735 30 20 BFED COCCCON=C(C)c1nc(C)sc1C 795047986 DVXQLTRZKBBVPX-UHFFFAOYSA-N 242.344 2.537 30 20 BFED C=C[C@](C)(CC)C(=O)OC[C@H]1CCC[C@H](O)C1 795529514 FODRGIWUFBYYEF-SGMGOOAPSA-N 240.343 2.683 30 20 BFED C#Cc1ccc(CN2C[C@H](C)OC(C)(C)C2)cc1 809551742 GWHFXNITLNSQCR-ZDUSSCGKSA-N 243.350 2.667 30 20 BFED CCCNN=C1CCN(Cc2ccccc2)[C@H]1C 811638312 WENRMCGPSQMYSG-ZDUSSCGKSA-N 245.370 2.636 30 20 BFED CC(Cc1ccncc1)=NOC1CCC1 812235808 BLPGDJJCTPERCN-UHFFFAOYSA-N 204.273 2.569 30 20 BFED COc1cccc(NN=C[C@H]2CCCOC2)c1 814776750 BRBVTAXQNDLSDZ-LLVKDONJSA-N 234.299 2.520 30 20 BFED CC(C)n1cncc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 819813257 VFULZBCEADTGTC-OBJOEFQTSA-N 246.358 2.576 30 20 BFED C=C(C)CONC(=O)[C@H](C)c1ccccc1C 824028706 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N#C[C@@H]1CCC[C@H](OC(=O)Cc2cccs2)C1 839042183 GJRVTKPOTSOFHY-MNOVXSKESA-N 249.335 2.916 30 20 BFED C[C@@H](NCC(C)(C)CC#N)c1ccccc1O 840786669 SYHXZJPRMAFSAP-LLVKDONJSA-N 232.327 2.983 30 20 BFED C#CCC(C)(C)C(=O)N1C[C@H](C)[C@H](C)[C@@H]1C 841364859 PIODSSGUVBSEBB-SRVKXCTJSA-N 221.344 2.539 30 20 BFED C=CCCCCON=CC(=O)Nc1ccccc1 842016072 LJMYWOCXXWGZRG-UHFFFAOYSA-N 246.310 2.984 30 20 BFED C#Cc1cccc(N(CC)C[C@H](CC)OC)c1 842151295 AQAHKXRIGQDPDW-HNNXBMFYSA-N 231.339 2.919 30 20 BFED CCCON=C(C)c1sccc1OC 842554393 PRTOXWUPNNTJRL-UHFFFAOYSA-N 213.302 2.907 30 20 BFED C#CC1CCN(C(=O)[C@H]2CCC[C@@H]2CC)CC1 843698957 GZAJRWHIYXSQLR-KBPBESRZSA-N 233.355 2.685 30 20 BFED C#CCOCCSc1ccc(C)cc1 853013359 XYVJCIPPDUIPTB-UHFFFAOYSA-N 206.310 2.737 30 20 BFED CC(=NN1CCCC[C@H]1C)c1ccc[nH]1 853378317 CEPFAZDGEQXPDN-SNVBAGLBSA-N 205.305 2.613 30 20 BFED CC(=NOCC1CCC1)c1scnc1C 853439240 BQJZLMWUSHKJAS-UHFFFAOYSA-N 224.329 2.992 30 20 BFED Cc1cccn2c(C=NOCC3CCC3)cnc12 853439523 KFYXTAHCRWORIB-UHFFFAOYSA-N 243.310 2.793 30 20 BFED N#Cc1c(Cl)nsc1N1CC[C@H]2C[C@H]2C1 853902502 RMFISOQDMQLUII-BQBZGAKWSA-N 239.731 2.514 30 20 BFED C=C(Cl)CNCc1c(C)cccc1OC 877149354 MCOYUDFZVIQKRG-UHFFFAOYSA-N 225.719 2.846 30 20 BFED N#C[C@@H](c1ccccc1)N1C[C@H]2C=C[C@H]1C2 880453298 ZVBXJUIHQUPIJA-UBHSHLNASA-N 210.280 2.512 30 20 BFED C#CCC1(C(=O)N2CC[C@H]2C)CCCCC1 881482996 WFDWWFXQUKBQAL-GFCCVEGCSA-N 219.328 2.581 30 20 BFED C=CCC(CC=C)c1nc(C2(COC)CC2)no1 897039634 BMTFDWHVPJEHEW-UHFFFAOYSA-N 248.326 2.983 30 20 BFED CC#CCN(C)Cc1cccc(O)c1Cl 897170044 YBOQOFTVKSGBHM-UHFFFAOYSA-N 223.703 2.501 30 20 BFED C=CCC1(C(=O)NOc2ccc(F)cc2)CCC1 898575892 ZYMUHPAFIODQBV-UHFFFAOYSA-N 249.285 2.982 30 20 BFED CCc1ccc(-c2cc(CNCC#N)on2)cc1 901389596 YHKKVDBZRHBUIK-UHFFFAOYSA-N 241.294 2.517 30 20 BFED CC(C)[C@@H](NCC1(C#N)CC1)c1ccc(F)cn1 903106730 UPKGQTAWNGQPPY-CYBMUJFWSA-N 247.317 2.811 30 20 BFED CCC[C@H](CC)NC(=O)c1ccsc1C#N 906441321 RQRUQBSJMVRPCU-VIFPVBQESA-N 236.340 2.928 30 20 BFED CCCNN=Cc1ccc(SC)cc1 915965592 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CC(C)(C)Cc1nnc(-c2ccc(C#N)o2)o1 1257884902 HGZYEHOBEMUHMT-UHFFFAOYSA-N 231.255 2.790 30 20 BFED C=CCCSCCNC(=O)CCC(=C)C 1262631335 AVNLYHLFKJDPBX-UHFFFAOYSA-N 227.373 2.768 30 20 BFED C=C(Cl)COC(=O)[C@H]1CCCCN1CCC 1319041258 KFTPVGYHEIOFQT-LLVKDONJSA-N 245.750 2.547 30 20 BFED Cc1ccc(NN=Cc2cccn2C2CC2)nc1 1324551882 ZEIYFBYHYCQPPK-UHFFFAOYSA-N 240.310 2.972 30 20 BFED N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2F)c(Cl)c1 1337448526 ROLJZFAHZNCSPC-CBAPKCEASA-N 238.649 2.508 30 20 BFED COc1cc(O)ccc1C=NN1CCCC[C@@H]1C 1350465898 QKYHLYHKFNZMFY-NSHDSACASA-N 248.326 2.609 30 20 BFED Cc1ccc(C#N)c(SCc2ccncc2)n1 1559288471 DRWYROKEMDELNK-UHFFFAOYSA-N 241.319 2.949 30 20 BFED C=C[C@H](C(=O)O)N(C)C/C(C)=C\c1ccccc1 1588663005 BDWWXAQDMHZRTF-GAJOTYCWSA-N 245.322 2.661 30 20 BFED C[C@@H]1CCCC[C@@H]1Nc1cc(C#N)ccn1 19509138 PDDURXFTMNNAJI-PWSUYJOCSA-N 215.300 2.944 30 20 BFED C[C@@H](Nc1ccc(OCC#N)cc1)C1CC1 20126488 UAWJDLZLZQIHFT-SNVBAGLBSA-N 216.284 2.799 30 20 BFED C=CCNC(=O)Cc1cccc2ccccc12 47871273 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20 BFED CC[C@H](C#N)NC(=O)CC1CCC(C)CC1 343448017 KUJQAXGYQKKYQB-HTAVTVPLSA-N 222.332 2.621 30 20 BFED C=CCCN(C)C(=O)c1csc(C2CC2)n1 344262792 KKINPXYHUQFXRE-UHFFFAOYSA-N 236.340 2.669 30 20 BFED C=CCC(C)(C)C(=O)NCCCCOC(C)C 346269079 BHLOUJAMAGYCTN-UHFFFAOYSA-N 241.375 2.910 30 20 BFED CC(=O)Nc1ccc([C@H](C)NCCCC#N)cc1 346801996 SMTOBNRPWDEFHG-NSHDSACASA-N 245.326 2.599 30 20 BFED CCCCOc1ccccc1NC(=O)[C@H](C)C#N 347069958 NQCZQGKDTMITNS-LLVKDONJSA-N 246.310 2.964 30 20 BFED C=CC[C@H](C)NC(=O)c1c(F)ccc(C)c1F 347167735 LSSPIMCQCLNWIL-VIFPVBQESA-N 239.265 2.968 30 20 BFED CCOc1ccccc1N(C)CC1(C#N)CC1 347482451 PNMXKKOVRDGGAL-UHFFFAOYSA-N 230.311 2.825 30 20 BFED C[C@H](NC(=O)C[C@H]1C[C@@H]1C)c1ccc(C#N)cc1 352176003 KKSAKJLKRBMJRG-COPLHBTASA-N 242.322 2.782 30 20 BFED CCCC1(C(=O)N(C)CC(C)(C)C#N)CC1 353251597 VPBJPMWCGDSOTL-UHFFFAOYSA-N 222.332 2.575 30 20 BFED C=CCCC(=O)N(CC)[C@@H]1CCOC(C)(C)C1 354594186 FBPWTFGRZYOYLG-GFCCVEGCSA-N 239.359 2.759 30 20 BFED COc1ccc(C#N)cc1NCc1cccn1C 354859114 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C=C(CC)CN[C@@H]1CCC[C@H]1COCC 449736269 UUMANEXWKSFMDY-QWHCGFSZSA-N 211.349 2.747 30 20 BFED C=CCC1(C(=O)NCC(C)(C)OC)CCCC1 449970184 UOSQJDAQAVLVBC-UHFFFAOYSA-N 239.359 2.664 30 20 BFED C[C@H](N(C)CC1(C#N)CCC1)C1(C)CC1 450490952 VOATYYUURVZKJD-NSHDSACASA-N 206.333 2.801 30 20 BFED C=C(C)CCNC(=O)N(C)C(C1CC1)C1CC1 455310159 MCODUDBHPQVNES-UHFFFAOYSA-N 236.359 2.783 30 20 BFED N#CCN(C/C=C/c1ccncc1)C1CCCC1 494927009 XIQFGYGNNLEEIW-ONEGZZNKSA-N 241.338 2.863 30 20 BFED C[C@H]1C[C@@H](C)CN1Cc1ccc(F)cc1C#N 525423275 LJXGKHHBIAGNEZ-MNOVXSKESA-N 232.302 2.928 30 20 BFED CN(C(=O)C1CC(C)(C)C1)c1cccc(C#N)c1 551964556 WTGVAOBVLFYBOE-UHFFFAOYSA-N 242.322 2.957 30 20 BFED CSc1ccc(NC(=O)CC(C)(C)C#N)cn1 558688875 GSLOXLSEVMUPGQ-UHFFFAOYSA-N 249.339 2.682 30 20 BFED C=CCC[C@@H](C)NCc1ccc(CN)cc1 568511206 QZCCIPPKTASTIH-GFCCVEGCSA-N 218.344 2.590 30 20 BFED C[C@H](c1cccc(F)c1)N1CC(C)(C#N)C1 569329241 SOZJGEWHRGGKDI-SNVBAGLBSA-N 218.275 2.732 30 20 BFED CC[C@H](NCc1ccc(C#N)cn1)[C@@H]1CC1(C)C 577470319 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C[C@@H](N[C@@H](C#N)Cc1ccccc1)C1CCC1 611113215 RGRQCUZUOFXHHW-IUODEOHRSA-N 228.339 2.899 30 20 BFED CC(C)(C#N)CCN1CCC[C@H]1C1CC1 611462516 MWLVCMNKKZTUKE-LBPRGKRZSA-N 206.333 2.801 30 20 BFED Cc1cc(CSCCC(C)(C)C#N)nn1C 616304944 YSLZIMSDLBDDKV-UHFFFAOYSA-N 237.372 2.902 30 20 BFED C=CC[C@@H]1CCCN(C(=O)[C@@]23CCC[C@H]2C3)C1 617777854 YHUJBUAXTARNLF-VNHYZAJKSA-N 233.355 2.991 30 20 BFED C=CC[C@H]1CCCN(C(=O)[C@](C)(CC)OC)C1 617779710 HHTLEFQVTCPRSN-JSGCOSHPSA-N 239.359 2.616 30 20 BFED C=CC[C@H](C)NC(=O)[C@]1(C)CCc2ccccc21 648787997 NPBGSXGZSUZSFW-BLLLJJGKSA-N 243.350 2.971 30 20 BFED C=CCOCCNC(=O)[C@@H]1CCC[C@@H]1CCC 649358060 GWHRUDFVTDGSBW-QWHCGFSZSA-N 239.359 2.522 30 20 BFED C=CCCCNC(=O)NC1(C2CCC2)CC1 651068498 YENFCPNJVKGULU-UHFFFAOYSA-N 222.332 2.585 30 20 BFED C=CCN(C)C(=O)CCCOc1ccc(C)cc1 681674679 RIBVMQKDDNMRMU-UHFFFAOYSA-N 247.338 2.798 30 20 BFED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C(C)C)C1CC1 684773882 LHQSDDQKPUUKPV-ILXRZTDVSA-N 237.387 2.992 30 20 BFED 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NRDONRKSQNXHBU-UHFFFAOYSA-N 237.299 2.746 30 20 BFED CCOc1ccc(C=NO[C@H]2CCCCO2)cc1 755813657 HAXQRQUYDFIMBG-AWEZNQCLSA-N 249.310 2.962 30 20 BFED C#CCCCC(=O)NCC1(C)CCCCC1 757983954 FXWNZGZLSGWCGC-UHFFFAOYSA-N 221.344 2.877 30 20 BFED Fc1c(Cl)cccc1C=NNC1CC1 758126026 AXGCDDKVGMQYKS-UHFFFAOYSA-N 212.655 2.565 30 20 BFED Fc1cccc2c1OCCC2=NOCC(F)F 758904672 ROGLEKQYUQFRHE-UHFFFAOYSA-N 245.200 2.594 30 20 BFED C#CCCCNC(=O)N1CC=C(C(C)(C)C)CC1 759498978 QNPRRPMONAZVCS-UHFFFAOYSA-N 248.370 2.788 30 20 BFED CC#CCCOC(=O)C(C)(C)c1ccccc1 760292716 WBNFLBXJCAOHPS-UHFFFAOYSA-N 230.307 2.921 30 20 BFED C=C[C@H](C)NC(=O)Nc1cnc(Cl)cc1C 766258605 LSQKANRKRGAEAS-QMMMGPOBSA-N 239.706 2.739 30 20 BFED C#CCCCN1CCc2c(C)cccc2C1 766894230 AJDAKVBTZFAMSJ-UHFFFAOYSA-N 213.324 2.767 30 20 BFED CCC/C=C/C(=O)OCC1(C#N)CCC1 768098659 CCJGQCVTEYXIJH-GQCTYLIASA-N 207.273 2.580 30 20 BFED CC1(C)CC[C@@H](NC(=O)C#Cc2ccccc2)C1 769154565 OZDRWSXDKWLCCS-CQSZACIVSA-N 241.334 2.733 30 20 BFED CCc1ccc(C=NNCC(F)(F)F)cc1 769821846 NFOWWCDKQYOEGE-UHFFFAOYSA-N 230.233 2.735 30 20 BFED CC(C)CNN=C[C@@H]1CCOc2ccccc21 771568404 ZWBZNIJJQPGMEU-LBPRGKRZSA-N 232.327 2.784 30 20 BFED C#CCCCCC(=O)O[C@@H](C)c1ccncc1 773642480 AHNYCWHNIMRXQG-LBPRGKRZSA-N 231.295 2.879 30 20 BFED CC(=NOC1CCOCC1)c1ccc(F)cc1 774442247 PGGHNFITPMBSKA-UHFFFAOYSA-N 237.274 2.745 30 20 BFED Cc1ccc2c(c1)C(=NOC1CCOCC1)CC2 774450935 NCUCEQYWBZIGDK-UHFFFAOYSA-N 245.322 2.841 30 20 BFED CCC(CC)CNN=Cc1ccc(C)o1 774472772 QIQWEBLLICOXGJ-UHFFFAOYSA-N 208.305 2.948 30 20 BFED CC(C[C@@H]1CCOC1)=NN[C@H]1C[C@H]2CC[C@H]1C2 774595552 DHIWTCMFBCTRGN-XUXIUFHCSA-N 236.359 2.567 30 20 BFED CS/C=C/C(=O)OCc1ccc(CC#N)cc1 776107483 MKEOAPLVPOUEKS-VQHVLOKHSA-N 247.319 2.673 30 20 BFED Cc1ncoc1C(=O)O[C@H](C#N)C1CCCCC1 776394236 VGUREWUGOVIKBC-LLVKDONJSA-N 248.282 2.612 30 20 BFED COC[C@H](C)NN=Cc1ccc2ccccc2c1 777901452 LOJKJVMMJIYXCC-LBPRGKRZSA-N 242.322 2.798 30 20 BFED C#CC[C@H](N[C@H](C)CCCCO)c1ccccc1 779142605 YSMRFSIOSRQUER-ZBFHGGJFSA-N 245.366 2.892 30 20 BFED C#CCN(Cc1ccc(F)nc1)C1CCCCC1 779155476 ZKKBEAGMYFVDAK-UHFFFAOYSA-N 246.329 2.989 30 20 BFED CC(C[C@H]1CCOC1)=NN[C@H]1CCCC1(C)C 782288124 OVFSZVFDNAUOND-OLZOCXBDSA-N 238.375 2.957 30 20 BFED CCCCCCCn1nc(C)sc1=O 783302188 MOYGJUMWLAURBC-UHFFFAOYSA-N 214.334 2.584 30 20 BFED CC(C)(C#N)CCCOC(=O)c1nccs1 785018000 KYNILTHJCMOYDT-UHFFFAOYSA-N 238.312 2.630 30 20 BFED COC1(C=NOCc2cccnc2)CCCCC1 790172462 PJCCVYLXVVXFCI-UHFFFAOYSA-N 248.326 2.933 30 20 BFED CC1(CNN=Cc2ccco2)CCCC1 793084306 KMEGZUZWCBKCRS-UHFFFAOYSA-N 206.289 2.783 30 20 BFED Cn1cccc1C=NNc1cccc(Cl)n1 793160376 ABDUJUJZNJFHHM-UHFFFAOYSA-N 234.690 2.520 30 20 BFED C(=NNc1cncnc1)c1ccc2occc2c1 794979287 FHWHEUDUXLVTQA-UHFFFAOYSA-N 238.250 2.669 30 20 BFED Fc1cccnc1NN=C[C@@H]1C[C@H]2C=C[C@H]1C2 794994355 VCEAEORWBQLGFK-DCAQKATOSA-N 231.274 2.831 30 20 BFED C=CCNN=Cc1ccc(OCCC)cc1 795002846 BKTZKDMCUGUDEZ-UHFFFAOYSA-N 218.300 2.585 30 20 BFED C#C[C@@H](NC(=O)[C@H](CCC)C(C)C)C(C)C 799044832 NDZTUHCSAJDMRF-CHWSQXEVSA-N 223.360 2.833 30 20 BFED CC[C@](C)(C#N)C(=O)NCc1c(C)cccc1C 802763694 ZOHRWLPCWJMOAF-OAHLLOKOSA-N 244.338 2.860 30 20 BFED CCc1ccc(C(C)=NN[C@H]2CCSC2)o1 808001403 BEAQPIGTULMHQC-JTQLQIEISA-N 238.356 2.661 30 20 BFED C=C[C@@H]1CCCCN1CCC(=O)C(C)C 808754293 NTGVGBPWUXRYIO-GFCCVEGCSA-N 209.333 2.642 30 20 BFED CC(=NOC/C=C\Cl)c1ccccc1O 811669497 PWRDAIWOBZASGF-FHMVDFTOSA-N 225.675 2.885 30 20 BFED CCc1ccc(C=NOC/C=C\Cl)o1 811672036 OISAOMZKMTXCQO-MAZPOJTDSA-N 213.664 2.945 30 20 BFED CC(C)OCCON=C1CCC[C@H]1CCF 812240268 MUHQGBKRWVMJSS-NSHDSACASA-N 231.311 2.944 30 20 BFED CCC(=NO[C@H]1CCCCO1)c1ccco1 814888351 WFBHMYOQPMDJMC-LBPRGKRZSA-N 223.272 2.937 30 20 BFED Cc1c(C=NNC2CC2)n(C)c2ccccc12 814903037 OJBZKOWXYFENLZ-UHFFFAOYSA-N 227.311 2.573 30 20 BFED C=CCC(F)(F)C(=O)NC[C@@H]1C[C@H]1C1CCC1 819605871 CIEPIVSQJNKHCE-QWRGUYRKSA-N 243.297 2.750 30 20 BFED C[C@H](CC#N)OC(=O)[C@@H]1CCCC[C@H]1C 820063403 KXYMYDGFLAUUPQ-GMTAPVOTSA-N 209.289 2.658 30 20 BFED C=CCN(Cc1cccs1)C(=O)C#CC(C)C 820491569 XSTMYNLRIRZDSO-UHFFFAOYSA-N 247.363 2.922 30 20 BFED CCC[C@H](CC)C(=O)N1CCC(CC#N)CC1 821815584 DSJBQRAWBNVDNG-ZDUSSCGKSA-N 236.359 2.965 30 20 BFED C#Cc1ccc(CN2CC(CC(F)F)C2)cc1 822520464 CLEHBSBIEDYKMG-UHFFFAOYSA-N 235.277 2.755 30 20 BFED C=C(C)C(C)(C)C(=O)Nc1cccc(F)n1 823700784 RABNORDEFOFGHE-UHFFFAOYSA-N 222.263 2.762 30 20 BFED C#C[C@@H](C)NC1CCC(OC2CCCC2)CC1 824363676 HTRRJGPJOHLVFN-DNOWBOINSA-N 235.371 2.868 30 20 BFED COc1ccc(NC(=O)C#CC(C)C)c(C)c1 825543337 STYBYSXEQFYVAA-UHFFFAOYSA-N 231.295 2.602 30 20 BFED C#CCN1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C 830439495 GDVHELZNJSLELH-UMVBOHGHSA-N 213.324 2.886 30 20 BFED C=CCOCCCOC(=O)C1CC2(CCC2)C1 830625666 HUPGZKQNCRNTGY-UHFFFAOYSA-N 238.327 2.703 30 20 BFED C=CCCCCNC(=O)c1cc(C#N)ccc1F 832330228 MVIXWMNAIUFZFZ-UHFFFAOYSA-N 246.285 2.783 30 20 BFED CC(Cc1ccccn1)=NN[C@H](C)C(F)(F)F 834998268 DYCNWLOMPIZIHG-SECBINFHSA-N 245.248 2.540 30 20 BFED C=CCC1(C(=O)O[C@H]2C[C@@H](OC)C2)CCCC1 835446549 KUFUOIVKXPZRLD-TXEJJXNPSA-N 238.327 2.844 30 20 BFED C[C@H]1C[C@H](C)CN(C(=O)C#CC(C)(C)C)C1 837307233 HFWIBOTYKQTHMR-RYUDHWBXSA-N 221.344 2.540 30 20 BFED CCCCCCCOC(=O)CC1(O)CCC1 838211493 GHVIQQCECLYGPO-UHFFFAOYSA-N 228.332 2.805 30 20 BFED CC1CCC(=CC(=O)NCC2(C#N)CCC2)CC1 841467418 ROMAIOLGDHVKNJ-UHFFFAOYSA-N 246.354 2.933 30 20 BFED COC1(CON=Cc2cccc(F)c2)CCC1 842019366 QREKMVUGCBTVPZ-UHFFFAOYSA-N 237.274 2.745 30 20 BFED C=C(C)[C@H](C)OC(=O)[C@H](CC(C)C)OC 842334624 XMDFDMCNGWZPSI-QWRGUYRKSA-N 214.305 2.555 30 20 BFED CCCON=C(C)c1cc(C)c(O)c(O)c1 842557183 UGYKFRXOVCFJKU-UHFFFAOYSA-N 223.272 2.557 30 20 BFED CCON(C(=O)c1ccc(CC#N)cc1)C(C)C 844075095 GAIBHRMBLPYZPU-UHFFFAOYSA-N 246.310 2.555 30 20 BFED CCC(C)=NNc1ccc(CC(=O)OC)cc1 844606938 JIHFKADCVZXJCU-UHFFFAOYSA-N 234.299 2.600 30 20 BFED C=C[C@H](C)ON=C(C)c1nc2ccccc2n1C 844623780 IPGQKBJQHVFMII-JTQLQIEISA-N 243.310 2.888 30 20 BFED CC[C@@H](OC(=O)c1cccc(C#N)n1)C(C)C 845850525 IWRXPCDWDIEFFE-GFCCVEGCSA-N 232.283 2.545 30 20 BFED C=C(C)CONC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 846533611 CBAJRXQWQFDGOD-GRYCIOLGSA-N 225.332 2.683 30 20 BFED C=C(C)CONC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 846536911 AWVOAWQZJJSMKL-VXGBXAGGSA-N 237.343 2.849 30 20 BFED C#CCC[C@H](C)OC(=O)c1cn(C(C)C)nc1C 847730002 FTGODSGLARXOTK-NSHDSACASA-N 248.326 2.731 30 20 BFED C=CC(C)(C)C(=O)OCc1cc(C2CC2)n[nH]1 848010824 XJMLIAFGPKGQAP-UHFFFAOYSA-N 234.299 2.543 30 20 BFED C=CCCSCCNC(=S)NCCCC 849278281 VYZDHOKIDSNYRD-UHFFFAOYSA-N 246.445 2.560 30 20 BFED C#CCC(C)(C)C(=O)OCCC=C(C)C 849758903 ZNBTYRJDSNUKER-UHFFFAOYSA-N 208.301 2.935 30 20 BFED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1cncnc1 851143407 LNGDLBVSFNAFCH-YPMHNXCESA-N 246.310 2.768 30 20 BFED C[C@@H](CC(C)(C)C#N)OC(=O)c1cncs1 851203913 HHPOUNHCKXFBMI-QMMMGPOBSA-N 238.312 2.628 30 20 BFED CC(Cc1ccncc1)=NN1CCCC[C@@H]1C 853380183 POTNYSCSBOOPRP-ZDUSSCGKSA-N 231.343 2.874 30 20 BFED Cc1ccc(NN=C2CO[C@H](C)C2)cc1F 853438147 PQDYOKRTGUAXLC-SECBINFHSA-N 222.263 2.711 30 20 BFED Cc1ccc(C#N)nc1NCCC1CCC1 853438629 IJRQBUJEGVWSFI-UHFFFAOYSA-N 215.300 2.864 30 20 BFED C#C[C@](C)(CC)NC(=O)/C=C(\C)c1ccco1 854692898 JSTYPMPJVYCTSE-PLSXKVAHSA-N 231.295 2.601 30 20 BFED CC[C@H](C)Oc1cc(NCCCC#N)nc(C)n1 858479914 GQOBZDISHAFXKD-JTQLQIEISA-N 248.330 2.678 30 20 BFED C#CC1CCN(c2nc3cccc(F)c3o2)CC1 858599884 MXNKCEKNGMCTNQ-UHFFFAOYSA-N 244.269 2.817 30 20 BFED C#CCCOC(=O)N(C)[C@H](C)CCSCC 859046231 ZJAHJJPQLHQLHO-LLVKDONJSA-N 243.372 2.610 30 20 BFED Cc1ccn(C[C@H](C)C(C)(C)C)c(=O)c1C#N 865363759 BSYFTWKIYOAZGW-NSHDSACASA-N 232.327 2.711 30 20 BFED C#CCOc1ccccc1OC[C@@H]1CCO[C@@H]1C 871730968 BPFGQYXWVHTMFI-OLZOCXBDSA-N 246.306 2.502 30 20 BFED C=CCCC(CCC)=NNc1cc(C)nc(N)n1 872421573 OWFFKDYRZUODFR-UHFFFAOYSA-N 247.346 2.901 30 20 BFED C=C(C)C(C)(C)C(=O)NOc1ccccc1F 874911095 MXMKAOBTOTYDCF-UHFFFAOYSA-N 237.274 2.838 30 20 BFED CCCCCCCNC(=O)N(CC)CCOC 875764962 WPLWOTQPGRFHNW-UHFFFAOYSA-N 244.379 2.635 30 20 BFED C=CC(C)(C)CC(=O)Nc1cc(C)ccn1 877967127 GNUVFHYGHBVDSK-UHFFFAOYSA-N 218.300 2.931 30 20 BFED C#CCSCC(=O)N(C(CC)CC)C1CC1 888179135 IXHSOEHWUOLXIF-UHFFFAOYSA-N 239.384 2.532 30 20 BFED C#CCCCCCC(=O)Nc1ncc(CC)o1 889389221 SHQFKQRYRBTKDA-UHFFFAOYSA-N 234.299 2.759 30 20 BFED CCC[C@H](O)CCNc1ccc(F)cc1C#N 896187930 WHUNWNOKSPGBNN-LBPRGKRZSA-N 236.290 2.660 30 20 BFED C#Cc1cccnc1N[C@@H]1CCCc2cccnc21 896412169 NLVIOJJKBKACJU-CQSZACIVSA-N 249.317 2.947 30 20 BFED C=C1CN(C(=O)CCCc2sccc2C)C1 898699856 TVSPNJLZZWBJSV-UHFFFAOYSA-N 235.352 2.778 30 20 BFED COc1cc(C#N)ccc1C(=O)OC1CCCC1 901143555 KPHIGYLNFDTXAE-UHFFFAOYSA-N 245.278 2.666 30 20 BFED C=CCC[C@@H](C)N[C@H](CCCCC)C(=O)O 901723553 IZXJGZDETNCGEN-VXGBXAGGSA-N 227.348 2.964 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1ccc(C(=O)O)cc1 908675538 UOXRRQIYEZFSEV-CQSZACIVSA-N 247.294 2.926 30 20 BFED CCC[C@H]1CCCN1c1ncc(C#N)cc1F 912464682 UPPAGSDTEXCWLU-NSHDSACASA-N 233.290 2.861 30 20 BFED N#C[C@H](C(=O)CC1CC1)c1nc2ccccc2[nH]1 915098853 HIUKGEWRJSVBTH-SNVBAGLBSA-N 239.278 2.539 30 20 BFED CC(C)c1noc(OCC2(C#N)CCCC2)n1 917007155 KJBRKTJGEZHHGW-UHFFFAOYSA-N 235.287 2.656 30 20 BFED CC(C)CO[C@@H](C)C(=O)Oc1ccc(C#N)cc1 917526176 QTAWTZIUMFODQK-NSHDSACASA-N 247.294 2.525 30 20 BFED CCCCCCCOC(=O)[C@@H]1C[C@H]1OCC 918494759 ZFGWYLNSANHXAN-VXGBXAGGSA-N 228.332 2.925 30 20 BFED C=CCCOCCNCc1ccc(OC)cc1C 921938556 MKGABUOISLMSGP-UHFFFAOYSA-N 249.354 2.686 30 20 BFED C[C@@H]1COC[C@@H]1N[C@@H](CCC#N)c1ccccc1 925601940 PUGOGBYHOAMRGY-SNPRPXQTSA-N 244.338 2.656 30 20 BFED CCn1cc([C@H](C)N[C@H](C)CC(C)(C)C#N)cn1 926540940 IBTTYQAAWVPWRI-NEPJUHHUSA-N 248.374 2.882 30 20 BFED N#C[C@@H]1CCCN(C(=O)c2ccc(CF)cc2)C1 928214080 GBWFZCANWLOWQC-LBPRGKRZSA-N 246.285 2.532 30 20 BFED C=CCNC(=O)c1cc(C(C)(C)C)oc1C 929167821 BMZMNURSXHWYJT-UHFFFAOYSA-N 221.300 2.801 30 20 BFED C=C[C@H](CC)CC(=O)N1CCC[C@H]1C1CC1 931876294 JZPUKYPYRDOZPS-YPMHNXCESA-N 221.344 2.990 30 20 BFED C#Cc1ccc(NC[C@@H]2CCCC2(F)F)nc1 1120855896 LPYCBDZKBCLUHO-NSHDSACASA-N 236.265 2.910 30 20 BFED COc1ccccc1CON=C[C@H](C#N)C(C)C 1325141325 WTXSWMPRIVVICO-ZDUSSCGKSA-N 246.310 2.993 30 20 BFED CC#CCCCc1nnc([C@@H]2CCCCO2)o1 1327380951 ALIREYCZMKIXPS-NSHDSACASA-N 234.299 2.657 30 20 BFED C[C@@H]1CC/C(=C/C(=O)N[C@@H](C#N)C2CCCC2)C1 1331538959 GSGRXNSGLIGZGS-UFLKPIKFSA-N 246.354 2.931 30 20 BFED C=C(CC(C)C)C(=O)N1CCn2cccc2[C@@H]1C 1520772780 BRIIDMIGQRVYFT-ZDUSSCGKSA-N 246.354 2.994 30 20 BFED C=C(CC(C)C)C(=O)N1CCC[C@@](C)(OC)C1 1521548855 DBHDWNLKBLVGKD-CQSZACIVSA-N 239.359 2.616 30 20 BFED Cc1cc(C#N)cc(NCc2ocnc2C)c1 1651210801 QECJEDUOCXPKFY-UHFFFAOYSA-N 227.267 2.775 30 20 BFED CC[C@@H](NN=C1CCCCCC1(C)C)C(=O)O 1776066287 DGJNJODWXMGKOC-SNVBAGLBSA-N 240.347 2.786 30 20 BFED C=C(C)CCCN1C[C@H]2CC[C@H]1[C@@H](C(=O)O)C2 1776138766 PKWNTZKGIGRTBG-AVGNSLFASA-N 237.343 2.528 30 20 BFED C=C1CC(CN2CC3(CCCC3)C[C@H]2C(=O)O)C1 1776144837 ZTZMCQKELKERRT-ZDUSSCGKSA-N 249.354 2.672 30 20 BFED C=CCCCN(CC)c1ccc(C(=O)O)c(C)n1 1776174462 QAKZBRQDQQQXKK-UHFFFAOYSA-N 248.326 2.881 30 20 BFED C[C@@H]1O[C@H]1C(=O)N(C1CC1)[C@@H](C)c1ccccc1 2088608785 CFCZEEQIZMUUAE-COPLHBTASA-N 245.322 2.526 30 20 BFED C[C@H]1CCC[C@H](NC(=O)c2cccc(C#N)c2)C1 33182187 ICIXUGOZOASRFA-FZMZJTMJSA-N 242.322 2.867 30 20 BFED C=C(C)COc1ccc(C(=O)O)cc1Cl 42220561 SKOKWVPYCXVXAT-UHFFFAOYSA-N 226.659 2.993 30 20 BFED CC(C)CCN(C)C(=O)c1ccc(C#N)cc1 42239406 RFFIPSFMCVUKFL-UHFFFAOYSA-N 230.311 2.676 30 20 BFED CC[C@H](CC#N)N[C@@H](C)CCc1ccco1 49566341 BNFXGMZCNXZVKS-NWDGAFQWSA-N 220.316 2.883 30 20 BFED C=CCCC(=O)N1CCCc2cccc(O)c21 63063954 GTOICPUERCKMDK-UHFFFAOYSA-N 231.295 2.638 30 20 BFED COCC1CCN(c2ccc(C#N)cc2F)CC1 69708229 XGWGLNSJFXGWDV-UHFFFAOYSA-N 248.301 2.560 30 20 BFED CC(C)N(C(=O)c1ccc(C#N)cc1)C1CCC1 78185883 JMIDZNDTETURED-UHFFFAOYSA-N 242.322 2.961 30 20 BFED Cc1cnc(NCc2ccc(C#N)cc2)s1 83356909 LUXXMNZETJCXHY-UHFFFAOYSA-N 229.308 2.935 30 20 BFED CCCC[C@@]1(CC)O[C@@]1(C(=O)OC)C(C)C 86182732 DFNVYJRYTLKSGD-CHWSQXEVSA-N 228.332 2.923 30 20 BFED C=CC[C@@H](C)[C@H](C)N[C@@H](C)C(=O)OC(C)(C)C 90579270 ZLNGXRGUZYMYTF-WOPDTQHZSA-N 241.375 2.907 30 20 BFED C=CCC[C@@H](C)NCC(C)(C)CN(C)C 96034247 GKRDUFVJLSDRGH-GFCCVEGCSA-N 212.381 2.519 30 20 BFED C=CCCC(=O)Oc1cccc([N+](=O)[O-])c1C 102234802 ZSNLJPXQOZEZLC-UHFFFAOYSA-N 235.239 2.775 30 20 BFED CC[C@@H](C#N)NC(=O)CC(C)(C)c1ccccc1 102353111 CQLXAXQQFUJEKX-ZDUSSCGKSA-N 244.338 2.773 30 20 BFED CCCN(CC)c1ccc(F)cc1C#N 104361277 UBXIWPRSACDFQM-UHFFFAOYSA-N 206.264 2.934 30 20 BFED CCCC(=O)N(CCC#N)CC(CC)CC 104542603 LLQBVIYZDJDKRR-UHFFFAOYSA-N 224.348 2.965 30 20 BFED C=CCOC(=O)C1(CCOCC)CCCC1 122255105 FVEOHHMFYPVYPU-UHFFFAOYSA-N 226.316 2.703 30 20 BFED C=CCC[C@H](C)NCCN1CCC(C)CC1 126759681 QPGCXJXZKILHBS-AWEZNQCLSA-N 224.392 2.663 30 20 BFED C=C[C@H](C)NC(=O)[C@H]1C[C@@H]1c1sccc1C 129710459 KBXNYVJCCHMIOA-DCAQKATOSA-N 235.352 2.851 30 20 BFED CCC[C@H]1CN(c2ccc(C#N)cc2)CCO1 130306640 XQMANPYIPSFYJF-AWEZNQCLSA-N 230.311 2.564 30 20 BFED C=C[C@H](C)NCc1cnc(N(CC)CC)s1 130494436 JDTVRJKWVOQROU-JTQLQIEISA-N 239.388 2.653 30 20 BFED CC(C)/C(N)=N/OCc1cccc(Cl)c1 133673266 SUXDIDAETYFWCF-UHFFFAOYSA-N 226.707 2.785 30 20 BFED CC[C@H](NCc1ccc(C#N)cc1F)C1CC1 151160937 WYVBPVIGWLWQOF-AWEZNQCLSA-N 232.302 2.976 30 20 BFED C=C(C)CNC(=O)c1ccccc1Cl 153432525 KNWMXCSTPJJBBE-UHFFFAOYSA-N 209.676 2.646 30 20 BFED C=C[C@H](C)NC1C2CC3CC(C2)CC1C3 157214536 JQFGUIAXGBCZSO-FTPDJBBVSA-N 205.345 2.975 30 20 BFED C=CCNC(=O)c1c(CC)oc2ccccc12 157790358 IXPLOJSOEIVINA-UHFFFAOYSA-N 229.279 2.911 30 20 BFED CC[C@H](C#N)NC(=O)c1ccc(Cl)cc1C 158896850 VLPBLXSFKCUAOK-SNVBAGLBSA-N 236.702 2.680 30 20 BFED C#CCCCCNC(=O)N[C@@H](C)CCC(C)C 158975329 BYKODTHCEJBDOQ-ZDUSSCGKSA-N 238.375 2.914 30 20 BFED C=CCSCCNC(=O)[C@H]1CCC[C@@H](C)C1 162176719 IEKXPGVELMPLAZ-NEPJUHHUSA-N 241.400 2.848 30 20 BFED CC#CCCNC(=O)c1cccc(OCCC)c1 166237522 FJUVCWIKASEHHM-UHFFFAOYSA-N 245.322 2.619 30 20 BFED CCC[C@@H](CC)NC(=O)NCCCCC#N 170880020 ODYZYBIIZLWIHN-LLVKDONJSA-N 225.336 2.558 30 20 BFED C=CCSCCNC(=O)Cc1cccc(C)c1 171207032 SMIIWFWYYJLXRA-UHFFFAOYSA-N 249.379 2.573 30 20 BFED N#Cc1ccc(COC(=O)CC2CCC2)cc1 174225194 ZYOJFKNMIONABW-UHFFFAOYSA-N 229.279 2.792 30 20 BFED Cc1c(N[C@@H](C)c2cccc(C#N)c2)cnn1C 179859909 HTFWBBXISRHVBR-JTQLQIEISA-N 240.310 2.773 30 20 BFED C[C@H]1CSC(SCCCCC#N)=N1 182905215 RWOLHSHXWFTSIT-QMMMGPOBSA-N 214.359 2.905 30 20 BFED C#CCC(C)(C)C(=O)NCC1(C(C)C)CC1 185809635 HTFAADWKTRQJHU-UHFFFAOYSA-N 221.344 2.588 30 20 BFED C=CCCOC(=O)c1cn(CCCC)nc1C 186011017 DHUNDVRPCUHUDG-UHFFFAOYSA-N 236.315 2.725 30 20 BFED C#CCCCC(=O)N(C)c1ccc(C)cc1 192249477 GFOUHJPCQSWNOQ-UHFFFAOYSA-N 215.296 2.761 30 20 BFED C#Cc1ccccc1CC(=O)Nc1ccccc1 198604025 RRLOMCWVEONKMS-UHFFFAOYSA-N 235.286 2.849 30 20 BFED CC(F)(F)CCN1CCC(CC#N)CC1 215426679 WGFGEPJCMJTMCA-UHFFFAOYSA-N 216.275 2.657 30 20 BFED CC(C)OCCOc1cc(F)cc(C#N)c1 227632967 UXIRHZOCKAKTSX-UHFFFAOYSA-N 223.247 2.501 30 20 BFED Cc1ccc(Cl)cc1C(=O)N[C@H](C)CC#N 228448008 KMVRIJCLCDXRMJ-SECBINFHSA-N 236.702 2.680 30 20 BFED C#C[C@H](CC)NCc1cccc2cc[nH]c12 229899678 SHKMUAYOQKQRAR-CYBMUJFWSA-N 212.296 2.669 30 20 BFED C=CCCC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 246127440 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239.274 2.671 30 20 BFED N#Cc1cnc(N2CCCC3(CC3)C2)c(Cl)c1 274435567 FSBYUSWJVACQJY-UHFFFAOYSA-N 247.729 2.987 30 20 BFED CC[C@H](C#N)Sc1ncc(C(C)C)n1C 275742357 XKVLCJMOIWJLII-SECBINFHSA-N 223.345 2.938 30 20 BFED C=CCCCCNCc1cccc(OC)n1 276654876 UXRZVVLJAXHMBG-UHFFFAOYSA-N 220.316 2.536 30 20 BFED C#CCCCC(=O)N[C@H]1C[C@H]1Cc1ccccc1 277304056 VUWBSEDSYIBHKH-CABCVRRESA-N 241.334 2.537 30 20 BFED C=CC[C@H](CC)NC(=O)/C=C/c1ccc(O)cc1 281603747 DNFKISZAOQIKBL-YKWSONSWSA-N 245.322 2.876 30 20 BFED C=C(C)CNC(=O)NC[C@@H]1CCCC(F)(F)C1 283371318 CQFPVBHZRTVDKA-SNVBAGLBSA-N 246.301 2.687 30 20 BFED C=CCCN1CCCC[C@H]1c1cc[nH]n1 285446831 SDTYFFGYSDNDOV-LBPRGKRZSA-N 205.305 2.513 30 20 BFED CC1(CCNc2cc(C#N)ccn2)CC1 287845428 RSXZLYUJKYACSU-UHFFFAOYSA-N 201.273 2.555 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@@H](C)C(F)(F)F 290078419 KOCTVXFPTWKELA-IONNQARKSA-N 223.238 2.656 30 20 BFED C#Cc1cccc(N[C@@H]2CSC[C@H]2C)c1 291488453 SGLFCYRQHRZWFL-ZWNOBZJWSA-N 217.337 2.831 30 20 BFED C#C[C@H](Nc1nc(C(C)(C)C)ns1)C(C)C 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248.326 2.731 30 20 BFED C#CCC1(OC(=O)c2cccc(CC)n2)CCC1 835364981 FYQRXJZRBQIRQH-UHFFFAOYSA-N 243.306 2.747 30 20 BFED C=C[C@@H]1OCC[C@H]1C(=O)OCC(CC)CC 835390955 UGCZLZWHVYNMCH-NEPJUHHUSA-N 226.316 2.557 30 20 BFED C=CC(C)(C)COC(=O)CC1CCOCC1 835725406 ZZPBVHUZQNXGOT-UHFFFAOYSA-N 226.316 2.559 30 20 BFED C=CCONC(=O)c1ccc(CC(C)C)cc1 837043854 GJSNSTMZZURFRL-UHFFFAOYSA-N 233.311 2.733 30 20 BFED C=CCCC(=O)COC(=O)CC1CC(F)(F)C1 838263907 UOVDWYDTYHIYML-UHFFFAOYSA-N 246.253 2.500 30 20 BFED C#CCN(C(=O)NC[C@H]1CCC[C@@H]1CC)C1CC1 838647957 AVNVIJFKGUWUSE-QWHCGFSZSA-N 248.370 2.620 30 20 BFED Cc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)o1 839053902 GFWFZRDPIKRKGS-WDEREUQCSA-N 233.267 2.827 30 20 BFED N#CCc1cccc(NC(=S)NC2CCC2)c1 840824305 WANJLIWFNMIRPJ-UHFFFAOYSA-N 245.351 2.592 30 20 BFED CCCNN=C(C)c1ccc(Cl)cc1O 841619736 QULLXOAXCLXSKT-UHFFFAOYSA-N 226.707 2.769 30 20 BFED C#CCN(Cc1ccc(F)cc1)C[C@@H](CC)OC 842149461 LRFWPWRBGQDQFU-OAHLLOKOSA-N 249.329 2.686 30 20 BFED 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2.726 30 20 BFED C=CCN(CC1(OC)CCCC1)C(C)C 792162476 JIWDJMXNEFCSJU-UHFFFAOYSA-N 211.349 2.842 30 20 BFED COCCN(C)N=Cc1cc2ccccc2s1 794964126 XQTJEXVOYBDOJO-UHFFFAOYSA-N 248.351 2.813 30 20 BFED CO[C@@H]1CCCCC1=NNc1cccc(F)n1 795008823 OJOFZPJRDVRVBD-SNVBAGLBSA-N 237.278 2.578 30 20 BFED CC#CCOC(=O)c1ccoc1C(C)C 796393238 IMFPPUKITZYXFS-UHFFFAOYSA-N 206.241 2.583 30 20 BFED C=CCOCCOC(=O)[C@@H](C)Cc1ccccc1 797309743 KWLGMXNCTRNGPN-ZDUSSCGKSA-N 248.322 2.611 30 20 BFED C=C(CC)COC(=O)c1ccoc1CC 797486008 GAPVJCRJLOISFW-UHFFFAOYSA-N 208.257 2.965 30 20 BFED CC(C)C[C@H](C)C=NNCC(F)(F)F 799113169 KJWUYPCXVAGNKM-QMMMGPOBSA-N 210.243 2.806 30 20 BFED Cc1ccc(C(=O)NCCC(C)C)cc1C#N 799294493 YPDNEJDPZXBONQ-UHFFFAOYSA-N 230.311 2.643 30 20 BFED C=CCOC(=O)C(C)(C)COCc1ccccc1 800290784 SDHAZLUPQLUQBF-UHFFFAOYSA-N 248.322 2.959 30 20 BFED CC(C)(CC#N)COC(=O)/C=C\c1ccc[nH]1 802150452 WNTCKISDSKJNMS-WAYWQWQTSA-N 232.283 2.511 30 20 BFED COc1ccc(O)c(C=NOC/C=C/Cl)c1 811670238 NJPXSCLPQVVHMM-VHDODGMTSA-N 241.674 2.504 30 20 BFED C[C@@H](C#N)Oc1ccc(C=NOC2CCC2)cc1 812235478 HUHZYCWVEZGVGN-NSHDSACASA-N 244.294 2.880 30 20 BFED C=CCN(C(=O)NCC1CC(F)(F)C1)C(C)C 813767227 MWWLOJUOWYISFA-UHFFFAOYSA-N 246.301 2.638 30 20 BFED C=CCC(C)(C)CNC(=O)C[C@H]1CCCOC1 814420239 TYBYHHMQTLMWLN-GFCCVEGCSA-N 239.359 2.522 30 20 BFED CC(=NNc1cccc(Cl)c1)c1cc[nH]n1 814693831 JTPWNFGPKWDGJV-UHFFFAOYSA-N 234.690 2.899 30 20 BFED C[C@@H]1SCCC1=NNc1ccnc(F)c1 814900688 DFMPPMCPNJEEEN-ZETCQYMHSA-N 225.292 2.514 30 20 BFED C=CCC(F)(F)C(=O)OCCC1CCC1 816012342 MKSKFAFDTPHISH-UHFFFAOYSA-N 218.243 2.931 30 20 BFED CCOc1ccccc1NC(=O)C#CC(C)C 820394735 OAVNCNUEDGPREV-UHFFFAOYSA-N 231.295 2.683 30 20 BFED Cc1cccc(N(C)C(=O)C#CC(C)C)c1 825536922 OWJMOIMXKDLHDI-UHFFFAOYSA-N 215.296 2.617 30 20 BFED CCCCCCCNC(=O)/C=C\c1cn(C)cn1 826981685 GDSOMYDODNQETL-HJWRWDBZSA-N 249.358 2.520 30 20 BFED C#C[C@@H](C)N(C)C(=O)O[C@@H](C)CC(C)C 831293728 NVHSCRFWPBIAGN-MNOVXSKESA-N 211.305 2.511 30 20 BFED COCCCNN=C(C)[C@H]1CCCC[C@@H]1C 834976059 HIYVJWXZZSXKQT-AAEUAGOBSA-N 226.364 2.815 30 20 BFED C#CCNN=C1C[C@H](C)CC[C@@H]1C(C)C 835007035 HTGASMMOAHBIEF-VXGBXAGGSA-N 206.333 2.657 30 20 BFED N#CC1(COC(=O)CSC(F)F)CCCC1 835282558 FZIGGQZFEPGENE-UHFFFAOYSA-N 249.282 2.569 30 20 BFED C#CCSCCOC(=O)[C@@]1(C)CC=CCC1 835438295 ZITQQQMTHGAJCO-ZDUSSCGKSA-N 238.352 2.642 30 20 BFED CC[C@](C)(COC(=O)c1ccc(C#N)cc1)OC 835957931 RSVLNIJDOFPUHR-CQSZACIVSA-N 247.294 2.530 30 20 BFED C#CCC[C@@H](C)OC(=O)CCCOC(C)C 839038022 AVHPZOWBYJOFIH-GFCCVEGCSA-N 226.316 2.537 30 20 BFED C#CCC[C@H](C)OC(=O)Cc1ccccc1C#C 839040685 QNDMOAAVAMKDPY-ZDUSSCGKSA-N 240.302 2.556 30 20 BFED C#CCCCCNc1ncc2c(n1)CCCC2 840275297 JFEFRULTZJVMPJ-UHFFFAOYSA-N 229.327 2.571 30 20 BFED C=C(C)CONC(=O)N[C@@H](C)CC(C)(C)C 845612303 TTXZXGBHFQPRDN-JTQLQIEISA-N 228.336 2.618 30 20 BFED CO[C@H](C)[C@@H](C)Nc1ccc(C#N)cc1C 846755259 FRRNFLFLVBQLBM-GHMZBOCLSA-N 218.300 2.702 30 20 BFED N#CCC1(CNC(=O)c2ccc(CF)cc2)CC1 847009347 TVMRSHAXHPXOIM-UHFFFAOYSA-N 246.285 2.580 30 20 BFED C/C(=C\C(=O)O[C@H](C#N)C(C)C)c1ccco1 850811011 SQFAOZNIODMZID-OFFHKIPUSA-N 233.267 2.774 30 20 BFED C#C[C@@H](C)OC(=O)[C@]1(c2ccccc2)CC1(C)C 850856949 JLVLPKBTUQMJTG-MLGOLLRUSA-N 242.318 2.919 30 20 BFED CC(C)C#CC(=O)Nc1cc2c(cn1)CCCC2 854575269 TUWNLSQWEZZENI-UHFFFAOYSA-N 242.322 2.558 30 20 BFED C=C(C)COC(=O)[C@@H](OC)c1ccc(F)cc1 859798186 BKAWJIPLEVVIHZ-LBPRGKRZSA-N 238.258 2.633 30 20 BFED C#CC[C@H](CCOC)N[C@@H](C)CCC1CC1 862549194 WVSFXCLYCQAXDH-GXTWGEPZSA-N 223.360 2.583 30 20 BFED Cc1ccc([C@H](C)C=NN2CCCC2=O)cc1 863106226 RBCUAJNTWJCLBJ-GFCCVEGCSA-N 230.311 2.707 30 20 BFED CC[C@H](C)NN=Cc1cccc([N+](=O)[O-])c1C 872368618 LKEHRCZGEGLMOY-VIFPVBQESA-N 235.287 2.625 30 20 BFED C[C@@H](CCC#N)CNCc1ccc(C#N)cc1 876939452 ITBOXEWFKBECQB-LBPRGKRZSA-N 227.311 2.588 30 20 BFED C=CC(C)(C)CC(=O)N1CCSCC[C@H]1C 879741535 UJHLRPJGCZQSKE-LLVKDONJSA-N 241.400 2.943 30 20 BFED C=CC(C)(C)CC(=O)N1Cc2ccncc2C1 879950309 MMLWKXDMHFRRJT-UHFFFAOYSA-N 230.311 2.526 30 20 BFED Cc1ccc(N2C[C@H](C)[C@H](C)[C@H]2C)c(C#N)n1 882467963 KOQVAXZPMOXBLG-ZMLRMANQSA-N 229.327 2.742 30 20 BFED Clc1ccc(C=NO[C@H]2CCCCO2)nc1 884442620 LGQINIYSPKIMQR-NSHDSACASA-N 240.690 2.612 30 20 BFED N#Cc1ccc(F)c(NC(=O)[C@H]2C[C@@H]2C2CC2)c1 891455395 HVBHVEPLEBZBRJ-MNOVXSKESA-N 244.269 2.682 30 20 BFED Cc1cc(NCC2(C#N)CC2)nc(C2CCC2)n1 893653780 GSWLYONADYJATG-UHFFFAOYSA-N 242.326 2.768 30 20 BFED C=CCCNc1nccc2nc(SC)ncc12 894518598 HWXYFVXREFWNNN-UHFFFAOYSA-N 246.339 2.735 30 20 BFED C#CCCCCCCN[C@@H]1CCO[C@H]1C1CC1 896409096 GXKSIPLBCJTNKP-CABCVRRESA-N 235.371 2.727 30 20 BFED CCO[C@@H]1CCCC(=NOCC(F)(F)F)C1 905456740 YYBGHCNUFKPCGC-SECBINFHSA-N 239.237 2.900 30 20 BFED C[C@@H]1C[C@@H]1c1ccc(C=NNc2ncccn2)o1 912974016 GKOUVJWJZRATLJ-KOLCDFICSA-N 242.282 2.639 30 20 BFED C=C(C)COC(=O)c1cc(CCC)ccc1N 919197085 MUCXGGTURLIRCK-UHFFFAOYSA-N 233.311 2.954 30 20 BFED C=C1CN(C(=O)Nc2cnn([C@@H](C)CC)c2C)C1 931068932 AJXDQODBEVIEAK-JTQLQIEISA-N 248.330 2.566 30 20 BFED C#CCN(Cc1ccc(Cl)cn1)C(C)C 932384581 VDYUXKYZFJMTCH-UHFFFAOYSA-N 222.719 2.579 30 20 BFED C=C(CC)CN1CCN(C)C[C@H]1CC(C)C 933251921 MNADPZPJAHJFBF-CQSZACIVSA-N 224.392 2.615 30 20 BFED C=C(CC(C)C)C(=O)NC1(C)CC(F)(F)C1 1123975856 FSAIKSDNEGAWOV-UHFFFAOYSA-N 231.286 2.893 30 20 BFED CC[C@@H]1CCCN(c2cccc(CC#N)n2)C1 1253071064 IGIDUZIWNCPCBG-GFCCVEGCSA-N 229.327 2.774 30 20 BFED C#CCN(C(=O)[C@@H](F)CC)C1CCCCC1 1337096294 IXVXOAVSQOOXSZ-LBPRGKRZSA-N 225.307 2.529 30 20 BFED C=C(C)CCC(=O)N1C[C@H]2CCC[C@H]2C1 1337687335 SLNSDJYWQGOALL-TXEJJXNPSA-N 207.317 2.601 30 20 BFED C=C(C)CCC(=O)NCc1cccc(COC)c1 1346712092 OIRGIBUKNKGOAO-UHFFFAOYSA-N 247.338 2.806 30 20 BFED C=C(CC)C(=O)N(Cc1ccccn1)C(C)C 1347364013 KQOKHQXPJPXCQD-UHFFFAOYSA-N 232.327 2.785 30 20 BFED CC(C(=O)N(CC#N)C1CCCC1)=C1CCC1 1348087531 POTFYHNELMSCGD-UHFFFAOYSA-N 232.327 2.782 30 20 BFED C=CCC(C)(C)C(=O)N1C[C@H]2CCCC[C@H]21 1355048874 HCOLPMBERCDIEG-VXGBXAGGSA-N 221.344 2.990 30 20 BFED C=C(CC)C(=O)NCc1ccccc1C 1520740446 AWVNNLVLIFKPSA-UHFFFAOYSA-N 203.285 2.577 30 20 BFED C=C(CC(C)C)C(=O)N1CCC(=O)CC12CCC2 1521721724 HNHUGNXOFKHWLY-UHFFFAOYSA-N 249.354 2.703 30 20 BFED C=C(CC)C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 1528471082 SJAOQHULSWWOJU-DGCLKSJQSA-N 245.322 2.981 30 20 BFED Cc1ncsc1NC(=O)c1ccsc1C#N 1535108084 LGZKGUOMWARTFX-UHFFFAOYSA-N 249.320 2.637 30 20 BFED C#Cc1ccc(NCc2ccc(C(=O)O)o2)cc1 1573313138 BZCSCKZKHBSFCT-UHFFFAOYSA-N 241.246 2.571 30 20 BFED C=CCC[C@H](CC)N[C@H]1CC[C@@H](CC(=O)O)C1 1602856948 KPFREDSJPLRGBM-AGIUHOORSA-N 239.359 2.964 30 20 BFED C=C[C@@H](CCC(=O)O)NCc1cccc(C)c1 1776149054 OOUWMACNTBDCHW-ZDUSSCGKSA-N 233.311 2.504 30 20 BFED C=CCCCCCN1CC(C)(C)C[C@@H]1C(=O)O 1776173017 GUSHGQKCKZMULY-GFCCVEGCSA-N 239.359 2.918 30 20 BFED C[C@@H](NCC1CC1)c1ccc(C#N)cc1 19884775 YKVHEMOCRUEGCT-SNVBAGLBSA-N 200.285 2.619 30 20 BFED Cc1cc(C(=O)/C=C/c2cnn(C)c2)c(C)s1 21957566 PDVREEDNOYXIQM-SNAWJCMRSA-N 246.335 2.995 30 20 BFED C=CCN[C@H](c1ccc(OC)cc1)C1CC1 35055297 DJKOXQCAHLZJME-AWEZNQCLSA-N 217.312 2.922 30 20 BFED CCC[C@H](C)N(C)c1cc(C#N)ccn1 36791258 OLMSNQIMQJTCCK-JTQLQIEISA-N 203.289 2.578 30 20 BFED N#Cc1ccc(OC[C@H]2CCCCO2)c(F)c1 36886815 KMJZIYKVWAGXHM-LLVKDONJSA-N 235.258 2.645 30 20 BFED N#CCOc1cccc(N[C@@H]2CCSC2)c1 37069504 YWVKQSYDMHKYEF-LLVKDONJSA-N 234.324 2.506 30 20 BFED CCCN(c1ccc(C#N)cc1)C1CC1 37097503 SFGIXAXPJIXHDL-UHFFFAOYSA-N 200.285 2.937 30 20 BFED N#Cc1ccnc(NC[C@@H]2Cc3ccccc32)c1 37566404 REMJJEWORPHSSF-ZDUSSCGKSA-N 235.290 2.705 30 20 BFED CC[C@@](C)(C#N)NC(=O)c1cc(C)ccc1C 40357878 DSCBKZHMULLENL-AWEZNQCLSA-N 230.311 2.726 30 20 BFED COc1ccc([C@@H](C)NCCCC#N)cc1OC 40491166 AWILIMOZYDSUBY-LLVKDONJSA-N 248.326 2.658 30 20 BFED CCN(CCCC#N)Cc1cccs1 42225537 AOXUDWGUIPJXIL-UHFFFAOYSA-N 208.330 2.874 30 20 BFED CC(C)(C)c1ccc(C(=O)NCCC#N)cc1 48151572 NACQAXNLQHXOEK-UHFFFAOYSA-N 230.311 2.628 30 20 BFED CC[C@H](C(=O)NCCCC#N)c1ccccc1 54137951 FBBOVGGPOKYZOV-ZDUSSCGKSA-N 230.311 2.600 30 20 BFED C[C@H](CC(=O)NC(C)(C)C#N)c1ccc(F)cc1 62327629 AAALTWXVXZLKIA-SNVBAGLBSA-N 248.301 2.738 30 20 BFED CC[C@H](CC#N)NCc1cc(F)c(F)c(F)c1 62708885 ARZCINFDKOEJOH-SECBINFHSA-N 242.244 2.886 30 20 BFED Cc1ccc(C(=O)N(C)C2(C#N)CCC2)s1 67684063 RJKRCNUIBTWCHU-UHFFFAOYSA-N 234.324 2.575 30 20 BFED C#C[C@](C)(CC)NC(=O)Nc1ccccc1F 71778845 BDABYZDCSDBUED-CYBMUJFWSA-N 234.274 2.749 30 20 BFED CCO[C@H](CCNc1ncccc1C#N)C(C)C 74772288 BFLDSXITFKDVIO-CYBMUJFWSA-N 247.342 2.816 30 20 BFED C=C(Cl)CN1CC[C@H](CN2CCCCC2)C1 75836575 PLXDTWUKACEVFF-CYBMUJFWSA-N 242.794 2.547 30 20 BFED CC(C)(C#N)CC[S@](=O)c1ccccc1 87611174 UFSCLSUYTGGECE-OAHLLOKOSA-N 221.325 2.734 30 20 BFED N#CC[C@H](N)c1c(Cl)cccc1Cl 95672060 ZDLSWOGDASYWEH-QMMMGPOBSA-N 215.083 2.907 30 20 BFED C=CCCOC(=O)c1c(F)ccc(F)c1OC 120600321 XGRFIUNBBDNNQS-UHFFFAOYSA-N 242.221 2.706 30 20 BFED C=CCC[C@@H](NCc1cc(C)no1)C1CC1 121006052 IGHLHTWSOANWNR-CYBMUJFWSA-N 220.316 2.817 30 20 BFED CC#CCNC(=O)c1c(CC)oc2ccccc12 121163808 XJIGMLLSHGUFHF-UHFFFAOYSA-N 241.290 2.748 30 20 BFED CC[C@@H](SC)C(=O)Nc1ccccc1C#N 124157581 SBOYOGCXNOKSKO-LLVKDONJSA-N 234.324 2.638 30 20 BFED C[C@H](CC#N)OC(=O)c1ccc(C#N)c(Cl)c1 124776138 RSVPJPBWTMCABB-MRVPVSSYSA-N 248.669 2.671 30 20 BFED C=CC1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 125446642 OVWAOXOBPPXDFT-UHFFFAOYSA-N 247.298 2.701 30 20 BFED C=C(C)COCCNCc1ccccc1OCC 125806191 SUDBNBFGIYTVKZ-UHFFFAOYSA-N 249.354 2.768 30 20 BFED C=CCSCCN[C@H](C)c1ccncc1 129350482 LKRDENHNWMIEHE-LLVKDONJSA-N 222.357 2.651 30 20 BFED C#CCSCCNCc1cccc(Cl)c1 152950725 AYMCRIWYPBXOFD-UHFFFAOYSA-N 239.771 2.796 30 20 BFED C=CCN(C)Cc1ccc(OC)c(OCC)c1 154777619 ITYYBYFJPJZPOH-UHFFFAOYSA-N 235.327 2.712 30 20 BFED CC#CCCN(C)[C@H]1C[C@@H](OCC)C1(C)C 155767502 UECVMGMUAVXFJR-QWHCGFSZSA-N 223.360 2.535 30 20 BFED C=CCCO[C@H](C)C(=O)Nc1ccc(O)cc1C 156473659 JIPDPYMLBUCHAG-LLVKDONJSA-N 249.310 2.620 30 20 BFED CCC(C#N)(CC)C(=O)N1C[C@H]2CCC[C@H]2C1 159819741 YYTJSZAOUIKWNF-TXEJJXNPSA-N 234.343 2.575 30 20 BFED N#CC1(NC(=O)c2csc3ccccc23)CC1 160826021 LNZIAUWYCPYCIG-UHFFFAOYSA-N 242.303 2.687 30 20 BFED C=C(C)CNC(=O)C[C@H](C)c1ccc(OC)cc1 161120855 KKYXRODWDXPPLH-LBPRGKRZSA-N 247.338 2.881 30 20 BFED C=CCCC(=O)N[C@H]1C[C@H]1c1cccc(F)c1 171442493 SGAGRGBKGPREFD-STQMWFEESA-N 233.286 2.764 30 20 BFED C=CCNC(=O)c1c[nH]cc1-c1ccc(F)cc1 172925118 LNWODZULNVCJAF-UHFFFAOYSA-N 244.269 2.737 30 20 BFED C=CCCC(=O)N(C)CCc1cccs1 173345102 QPJQOZLOUDEQHO-UHFFFAOYSA-N 223.341 2.715 30 20 BFED C=CC[C@@H](C)NC(=O)CNc1c(C)cccc1C 173800634 QSPCTVDJXUKTAN-CYBMUJFWSA-N 246.354 2.796 30 20 BFED C[C@@H](OC(=O)C1CC1)c1ccc(C#N)cc1 175752306 RHBNAECALZWRDY-SECBINFHSA-N 215.252 2.572 30 20 BFED CC[C@@H](C#N)OC(=O)c1cccc2cc[nH]c12 176022885 YDCFCTILJUGIMS-JTQLQIEISA-N 228.251 2.627 30 20 BFED C=CCCN[C@H](CCCO)c1ccccc1 179736678 ZFUPCHOXWGASQE-CQSZACIVSA-N 219.328 2.666 30 20 BFED C=C(C)CN[C@@H](C)[C@H]1COc2ccccc21 185578257 DXTFPEKSDLAPOT-WCQYABFASA-N 217.312 2.717 30 20 BFED C#C[C@H](C)NC(=O)c1ccc(OC(C)(C)C)cc1 186060086 JPTUNIQPFTVMHI-NSHDSACASA-N 245.322 2.615 30 20 BFED C#CCSCCN[C@@H](CCC)c1cccnc1 186070253 HTYQVWSLNZPQDL-AWEZNQCLSA-N 248.395 2.879 30 20 BFED Cc1cc(C(=O)N(CCC#N)CC(C)(C)C)co1 186671091 NZEYTOTWNVUQPD-UHFFFAOYSA-N 248.326 2.990 30 20 BFED CC(C)(C)CN(CCC#N)C(=O)OCC1CC1 192876699 MSFLJWSKJGBREF-UHFFFAOYSA-N 238.331 2.795 30 20 BFED C=CCCCCCN1CCOC[C@H]1C1CC1 193457401 FNPRQAXYPWNQMX-AWEZNQCLSA-N 223.360 2.844 30 20 BFED C=CCCCCCO/N=C(\C)c1cnn(C)c1 195391218 UHITYFNSPFZICM-NTCAYCPXSA-N 235.331 2.907 30 20 BFED C#CCCCCC(=O)Nc1n[nH]c2ccccc12 222834138 HIWXQAUZJOIKMX-UHFFFAOYSA-N 241.294 2.695 30 20 BFED C[C@H](O)[C@@H](C)SCc1cccc(C#N)c1F 223550794 RGMLCUASNZONRX-DTWKUNHWSA-N 239.315 2.700 30 20 BFED N#Cc1ccc(OCC(=O)C2CCCC2)c(F)c1 225303482 UQHQJEJXUCHUOZ-UHFFFAOYSA-N 247.269 2.835 30 20 BFED C#C[C@H](CC)NCc1cc(C)ccc1F 229884481 BJBSTLRXSFUTMK-GFCCVEGCSA-N 205.276 2.636 30 20 BFED N#Cc1ccccc1SC[C@H]1CCCO1 231660952 QMWCVXWGAPZEOG-LLVKDONJSA-N 219.309 2.829 30 20 BFED COc1cc(CNC2(C)CCC2)ccc1C#N 234897798 GPFAWJKVTBKCRE-UHFFFAOYSA-N 230.311 2.599 30 20 BFED N#CCCCc1nc(-c2ccc(Cl)cn2)no1 236043963 RKZQEDHMCMHULP-UHFFFAOYSA-N 248.673 2.631 30 20 BFED C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2C[C@H]2C2CC2)C1 246470647 OADSBMVMDOQPPS-HTUGSXCWSA-N 246.354 2.621 30 20 BFED N#Cc1ccc(NCc2cccc(Cl)c2)nn1 259621813 FKCFZPVNWTXXIM-UHFFFAOYSA-N 244.685 2.614 30 20 BFED Cc1ccncc1CN1CCC(CCC#N)CC1 259899517 FQBJCSRVRRJFLG-UHFFFAOYSA-N 243.354 2.906 30 20 BFED N#Cc1cccc(Cl)c1N1CCSCC1 264618573 HPEYIBBSKJZFNC-UHFFFAOYSA-N 238.743 2.765 30 20 BFED CC(C)OCCCN(C)c1ccc(C#N)cc1 265879050 XUPZWDVFCKPMFV-UHFFFAOYSA-N 232.327 2.810 30 20 BFED CCC(CC)(CCO)CNc1cccc(C#N)n1 266747288 RNJHWCUQYNKITN-UHFFFAOYSA-N 247.342 2.554 30 20 BFED C/C=C/C[S@](=O)CCCC(C)(C)C#N 266991187 BAWIEPUNAXJTDC-NNTXTVRGSA-N 213.346 2.641 30 20 BFED C#CCN1CCCCC[C@@H]1C[C@H](O)c1ccco1 268398119 TTXXUFATMNPQIA-KGLIPLIRSA-N 247.338 2.581 30 20 BFED C=CCC[C@@H](O)CN1CCSc2ccccc21 268527915 DSKNAQJAKBRKKP-GFCCVEGCSA-N 249.379 2.926 30 20 BFED C=CCC[C@H](O)CN(C)[C@H](C)c1cccc(O)c1 268567528 QMVRNXMIAVCMKN-DOMZBBRYSA-N 249.354 2.712 30 20 BFED N#Cc1ccc2c(c1)N(CCC(F)(F)F)CC2 270244683 IDKFKLCOESEPFN-UHFFFAOYSA-N 240.228 2.873 30 20 BFED C=C1CCN(Cc2ccc(C(=O)OCC)o2)CC1 271164132 MOMPDWGPCCAYIN-UHFFFAOYSA-N 249.310 2.608 30 20 BFED C=CCN(C(=O)NCc1ccccc1C)C1CC1 271458798 PPMWLDIOCSZTRI-UHFFFAOYSA-N 244.338 2.855 30 20 BFED C=CCN(CCC(=O)c1ccccc1)C1CC1 272289091 RKSFLFHABGYHCD-UHFFFAOYSA-N 229.323 2.910 30 20 BFED C=CCCCCNC(=O)NC1CCSCC1 274459723 BPSGYLXBWCWHFL-UHFFFAOYSA-N 242.388 2.538 30 20 BFED C=CCSCCNC(=O)C(C)(C)C(C)C 275804031 NBILOMAVNYXESF-UHFFFAOYSA-N 229.389 2.704 30 20 BFED CC#CCNC(=O)c1ccccc1CSCC 279658880 FICLFMVPNLXYAY-UHFFFAOYSA-N 247.363 2.693 30 20 BFED CCNC(=N[C@H]1C[C@H](c2ccccc2)C1)NCC 280602932 PLPWOXNZMQVITK-HDJSIYSDSA-N 245.370 2.508 30 20 BFED CC1(C#N)CN(C(=O)Nc2ccc(Cl)cc2)C1 280982489 NMTMQTDASILNEB-UHFFFAOYSA-N 249.701 2.717 30 20 BFED C#C[C@H](C)N[C@@H](C)[C@H](C)c1ccccc1 289662728 YRZNPMGIGGKDED-AVGNSLFASA-N 201.313 2.790 30 20 BFED C=CCOCCOc1ccccc1Cl 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2.867 30 20 BFED CCCN(CCC)C(=O)c1csc(C#N)c1 1325098959 AMGNGZIEOPEISB-UHFFFAOYSA-N 236.340 2.882 30 20 BFED CCc1nc(C#N)cc(N[C@H]2CCC[C@H](F)C2)n1 1327715004 SCJLTRLFIRBYMI-UWVGGRQHSA-N 248.305 2.603 30 20 BFED C=CC[C@H](NC(=O)[C@@H](F)CC)c1ccncc1 1336350709 ZHCOJGXYMPHBDE-RYUDHWBXSA-N 236.290 2.563 30 20 BFED C=C(C)CCC(=O)Nc1cccc(CCO)c1 1337303102 DYNGRJNUDGCXFX-UHFFFAOYSA-N 233.311 2.516 30 20 BFED C=CCn1c(CCC)nnc1N1CCC[C@@H]1CC 1338909634 AJVJUBODVRJJDH-LBPRGKRZSA-N 248.374 2.795 30 20 BFED C=C(C)CCC(=O)N[C@H](C1CC1)C(F)(F)F 1339012266 REWAPQLHDWNTRF-SNVBAGLBSA-N 235.249 2.800 30 20 BFED C=C[C@@H](COC)NC/C=C\c1ccc(F)cc1 1342732580 LPSFKQSXFSZJFK-WSNITJDQSA-N 235.302 2.630 30 20 BFED C=C(CC)C(=O)NCc1ccc(CC)s1 1345622463 CIHVYBBPRHDHJV-UHFFFAOYSA-N 223.341 2.893 30 20 BFED Cc1cc(C#N)nc(NC/C=C/C2CC2)c1 1355284995 ZTCZZOBONDPORF-NSCUHMNNSA-N 213.284 2.640 30 20 BFED C=C(CC)C(=O)Nc1ccccc1N(C)C(C)=O 1548648870 DTCNTXCIUYIZTR-UHFFFAOYSA-N 246.310 2.574 30 20 BFED C=C(C)C[C@@H](C)C(=O)Oc1ccccc1C(=O)O 1588536920 VTSIJQLKNDDECS-SNVBAGLBSA-N 248.278 2.893 30 20 BFED C=CCCN[C@@H](C)c1ccc(C(=O)O)cc1C 1588807509 NOXPNRRHVAKAIX-NSHDSACASA-N 233.311 2.920 30 20 BFED C=C1C[C@@H](C(=O)O)N(CC(CCC)CCC)C1 1776146011 ASTBVUYODYHEQC-ZDUSSCGKSA-N 239.359 2.918 30 20 BFED C=CCCN1C[C@H](C(=O)O)C2(CCCCC2)C1 1776174699 SSFNNKDOSYYVCI-GFCCVEGCSA-N 237.343 2.529 30 20 BFED C[C@@H](C#N)C(=O)NCc1cccc2ccccc12 52062870 ZEBOZOHDPXDGIP-NSHDSACASA-N 238.290 2.616 30 20 BFED CCN(C)CCNc1ccc(Cl)cc1C#N 54127829 MGSHPGROFUCABK-UHFFFAOYSA-N 237.734 2.575 30 20 BFED CCc1ccc(C(=O)N2CCC(C#N)CC2)s1 61585216 XNJQIBAWYPLCFD-UHFFFAOYSA-N 248.351 2.686 30 20 BFED C[C@H](CC1CC1)NCc1cccc(OCC#N)c1 70100540 LINUCJOKHABCPI-GFCCVEGCSA-N 244.338 2.867 30 20 BFED C=CCCCN1CCCC[C@@H]1[C@@H]1CCCN1 70593287 LOMLRSVMOBOQJP-UONOGXRCSA-N 222.376 2.559 30 20 BFED COCCN(C/C=C/c1ccccc1)CCC#N 71230291 WJBZMVIAJVTBKH-WEVVVXLNSA-N 244.338 2.562 30 20 BFED COC(C)(C)CNc1ccc(C#N)cc1F 78471632 OKZFFHZKBJCVMI-UHFFFAOYSA-N 222.263 2.534 30 20 BFED C[C@@H]1CN(c2nc3c(cc2C#N)CCC3)C[C@@H]1C 90824973 NBUMNDQRUIYMPK-PHIMTYICSA-N 241.338 2.534 30 20 BFED C=CCCCN(C)C(=O)c1cnn(C(C)C)c1C 92465101 KJWXTPIVYZXRJC-UHFFFAOYSA-N 249.358 2.811 30 20 BFED C=CCCC(=O)Nc1ccc(N(C)C(C)=O)cc1 102244612 JCQDCSZMHNYCGS-UHFFFAOYSA-N 246.310 2.574 30 20 BFED CCCCCCCOC(=O)c1cn(C)nc1C 113496602 QVSOPZGVVUDDHR-UHFFFAOYSA-N 238.331 2.856 30 20 BFED C=CCCOC(=O)[C@H]1CSc2ccccc21 118599734 HENUMNJHDIUATA-NSHDSACASA-N 234.320 2.995 30 20 BFED CN(Cc1ccsc1)Cc1ccc(C#N)o1 120465401 NEFLZTSBJASDOP-UHFFFAOYSA-N 232.308 2.845 30 20 BFED CCCCCCCS(=O)(=O)[C@H]1CCO[C@H]1C 126435717 FRORLASJNXDMKZ-RYUDHWBXSA-N 248.388 2.549 30 20 BFED C=CCC[C@@H](C)NCCCN1CCCCC1 126733509 TTYKYKBCUGCMBO-CQSZACIVSA-N 224.392 2.807 30 20 BFED C=C[C@H](C)NC(=O)c1cc(Cl)ccc1F 130692039 VEOMJUAQAXXEJM-ZETCQYMHSA-N 227.666 2.783 30 20 BFED N#Cc1cccc(N2CC[C@@H]3CCCC[C@@H]32)n1 135150740 ZBORNHFIRCVLLC-AAEUAGOBSA-N 227.311 2.722 30 20 BFED Cc1ccnc(NCc2cccc(C#N)c2)c1C#N 135188145 WPMBYJWHHUCBTR-UHFFFAOYSA-N 248.289 2.745 30 20 BFED Cc1nc(C#N)c(C#N)n1CC1CCCCCC1 135489216 SSLGGZANGZZWMI-UHFFFAOYSA-N 242.326 2.905 30 20 BFED CSC[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 135490898 LPMXXHIOTLQTRQ-QWRGUYRKSA-N 234.368 2.960 30 20 BFED CSC[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 135490912 LPMXXHIOTLQTRQ-MNOVXSKESA-N 234.368 2.960 30 20 BFED CC(C)CCC(=O)Nc1ccc(C#N)c(C#N)c1 150788491 WCFKWMPXVWZIIG-UHFFFAOYSA-N 241.294 2.805 30 20 BFED C=CCCN[C@@H](c1ccccc1)[C@H](C)C(=O)OC 152058906 OYSPTSOIQJGQMW-GXTWGEPZSA-N 247.338 2.703 30 20 BFED C=CCN(CC=C)C(=O)Nc1ccc(C)nc1C 152237356 STJAMRNLVPQWOQ-UHFFFAOYSA-N 245.326 2.904 30 20 BFED C=C(C)CN1CCC(N[C@@H](C)c2ccco2)CC1 153013888 WIEBXXPBEWBTDY-ZDUSSCGKSA-N 248.370 2.971 30 20 BFED C=CC[C@H](C)NC(=O)c1ccn(C2CCCC2)n1 155256265 FXZGVJWIEVVBHD-NSHDSACASA-N 247.342 2.693 30 20 BFED Cc1nnc(S[C@H](C)c2ccc(C#N)cc2)[nH]1 172319396 JUOPDWDLEMHQRI-MRVPVSSYSA-N 244.323 2.838 30 20 BFED C#CCCCNC(=O)N(C)CC1CCCCC1 174123545 FYMZUYNAVIJTIK-UHFFFAOYSA-N 236.359 2.622 30 20 BFED C[C@H](SCCCC(C)(C)C#N)[C@@H](C)O 177323949 XAMDZXPTNZVEBX-ZJUUUORDSA-N 215.362 2.819 30 20 BFED C=CCCCC(=O)NCC1(CCOC)CCC1 177817808 XTLOJSPDMFNWCF-UHFFFAOYSA-N 239.359 2.666 30 20 BFED Cc1c(C#N)cccc1NC(=O)[C@@H]1C[C@H]1C1CC1 178372198 CCPUSLDQPNFJOL-QWHCGFSZSA-N 240.306 2.851 30 20 BFED C=CCOC(=O)CCc1ccc2[nH]ccc2c1 182711441 HNHGJKFAKNOUMX-UHFFFAOYSA-N 229.279 2.830 30 20 BFED CCCn1nc(C)c(CN[C@@H](CC)CC#N)c1C 184083681 MDAJVFXDQUGSIL-ZDUSSCGKSA-N 248.374 2.692 30 20 BFED C=CCNc1nc(-c2cc(C)no2)cs1 185919087 UUQPDCMEWXUZMD-UHFFFAOYSA-N 221.285 2.704 30 20 BFED C=CCN1CCC(N[C@@H]2CCC23CCCC3)CC1 189115622 RGTUJKPLONVVPN-OAHLLOKOSA-N 248.414 2.949 30 20 BFED C=CCN/C(N)=N/CC[C@@H](C)CC(C)(C)C 189387743 QVSMPJWZTMWRKD-LLVKDONJSA-N 225.380 2.539 30 20 BFED C=CCN(CCOC)Cc1ccccc1CC 191142111 DABYKSYPQCOSKQ-UHFFFAOYSA-N 233.355 2.883 30 20 BFED C#CCN(C)Cc1ccccc1C(C)(C)C#N 192236016 VMUGLUQQJOIPDH-UHFFFAOYSA-N 226.323 2.553 30 20 BFED C#C[C@H](CC)NCc1ccc([C@H]2C[C@@H]2C)o1 229889437 XNOJKUZPYVCQET-LOWVWBTDSA-N 217.312 2.904 30 20 BFED CC[C@H](C#N)C(=O)NCC1(CC)CCCC1 233997714 MNIKJEUJPLTWGH-LLVKDONJSA-N 222.332 2.623 30 20 BFED COc1cc(CN(C)CC(C)C)ccc1C#N 234795305 SJBJZYPIOBRGTP-UHFFFAOYSA-N 232.327 2.655 30 20 BFED N#CCCCc1nc(-c2ccsc2)no1 236181871 YSJITUCSLMRVPN-UHFFFAOYSA-N 219.269 2.644 30 20 BFED N#Cc1ccc(N2CC[C@H]3CCCC[C@H]3C2)nc1 249916352 SCQNZYCROKWAKH-KGLIPLIRSA-N 241.338 2.970 30 20 BFED C#CCCN1CCC[C@@H]1C[C@@H](O)c1cccs1 270519453 CHEXDAQOUKYMRY-CHWSQXEVSA-N 249.379 2.659 30 20 BFED CCS[C@H](C)c1noc(C2(C#N)CCC2)n1 273960471 NYWLDTWWMDVURH-MRVPVSSYSA-N 237.328 2.829 30 20 BFED C=CCN(CC=C)CCCC1CCOCC1 274197698 JYFBZBIEIBTKSJ-UHFFFAOYSA-N 223.360 2.867 30 20 BFED C=CCCCCNC(=O)N[C@H](C)c1cccnc1 274780894 FTDLHPCDPXHKAC-GFCCVEGCSA-N 247.342 2.798 30 20 BFED C=CCN(CC=C)C(=O)[C@](C)(C=C)CC 279381537 UZHBSCAIPUJJBL-CYBMUJFWSA-N 207.317 2.789 30 20 BFED C#CCCCN(C#N)c1ccccc1F 281466907 VQFFUQAELVEAGG-UHFFFAOYSA-N 202.232 2.527 30 20 BFED Cc1nsc(NCC2CCC(C#N)CC2)n1 281549104 BYGDUJAALDBHRM-UHFFFAOYSA-N 236.344 2.588 30 20 BFED CC[C@](C)(C#N)C(=O)Nc1ccc(SC)cn1 285588331 VRIFQYNKNKUVLO-GFCCVEGCSA-N 249.339 2.682 30 20 BFED CS[C@H]1CCCCN(c2cc(C#N)ccn2)C1 286082367 DASWMZBVPGCJGS-LBPRGKRZSA-N 247.367 2.675 30 20 BFED CSCCCN(C)c1ccc(F)cc1C#N 291031382 YUCXBUMCUQNXNQ-UHFFFAOYSA-N 238.331 2.887 30 20 BFED C=C(C)CNC(=O)c1ccc(C(C)C)cn1 291389253 WEOFKIGPCOBMDD-UHFFFAOYSA-N 218.300 2.511 30 20 BFED C=CCCNC(C)(C)c1ccccc1[N+](=O)[O-] 292074033 DZCMJMPQAFKWES-UHFFFAOYSA-N 234.299 2.996 30 20 BFED C=CCN[C@@H](c1ccccc1)C1(CO)CCC1 292772826 PFKREDUHIKAMTH-AWEZNQCLSA-N 231.339 2.666 30 20 BFED C=CCN(C)C[C@@H](O)c1cc2ccccc2o1 294442699 FLXPJHSHYGIUCP-GFCCVEGCSA-N 231.295 2.584 30 20 BFED C=C1CCN(C[C@H](Cc2ccccc2)OC)CC1 297587918 TXWWGGLTPPAOPN-INIZCTEOSA-N 245.366 2.896 30 20 BFED C[C@H](C[C@H]1CCCO1)Nc1ccc(C#N)cc1 301202918 XITWLEMNLNYQFO-BXUZGUMPSA-N 230.311 2.928 30 20 BFED CC(C)C[C@@H]1CCCCN1c1ccc(C#N)nn1 301954121 KDZXJXZGCYFHOI-ZDUSSCGKSA-N 244.342 2.753 30 20 BFED C[C@@H](C#N)OCCNc1cc(F)cc(Cl)c1 304230602 KOMNFIPDARRUCG-QMMMGPOBSA-N 242.681 2.820 30 20 BFED CCc1ccc(OCCO[C@@H](C)C#N)cc1 304244591 OVHRAVSSVQCHAM-NSHDSACASA-N 219.284 2.556 30 20 BFED C=CC[C@@H](C)NCc1n[nH]c2ccccc12 309758460 MALSJUFADDPFFA-SNVBAGLBSA-N 215.300 2.617 30 20 BFED C=CCCNc1ccc(C(=O)OCC)cc1 309957787 JKKFPNQXHKUGQO-UHFFFAOYSA-N 219.284 2.851 30 20 BFED C=C(CC)CNC(=O)c1cc(O)ccc1Cl 313510010 ZSHWKFRKBITRIW-UHFFFAOYSA-N 239.702 2.742 30 20 BFED N#Cc1ccc(N[C@H](C2CCC2)C2CC2)nc1 324735653 LGZFAAMFUHFSIK-CQSZACIVSA-N 227.311 2.944 30 20 BFED OC(=Nc1ccc2nc[nH]c2c1)[C@H]1CCCOC1 328857978 YBNMPHDLZVFASU-VIFPVBQESA-N 245.282 2.578 30 20 BFED CCC1(C(=O)NCc2cc(C#N)ccc2F)CC1 332101996 BMQRBFOLBBLJJW-UHFFFAOYSA-N 246.285 2.504 30 20 BFED N#Cc1ccn(Cc2cc(F)ccc2F)c1 334215526 QZEGXYZLNSOPBR-UHFFFAOYSA-N 218.206 2.686 30 20 BFED Cc1c(C#N)cccc1NC(=O)C[C@@H]1C[C@@H]1C 334606075 WQWBORRBUSUWKT-CABZTGNLSA-N 228.295 2.851 30 20 BFED Cc1ccc(NC(=O)c2ccc(C#N)s2)cn1 334668976 OCWQMSDVDMIVRB-UHFFFAOYSA-N 243.291 2.576 30 20 BFED C=C(C)C(C)(C)C(=O)N1CCSC[C@@H](C)C1 335114657 FIIHPKJFNCBFFX-NSHDSACASA-N 241.400 2.800 30 20 BFED CC(C)[C@@H]1CCCCN1CC1(C#N)CC1 335953249 HBZFEBMHRBADLH-LBPRGKRZSA-N 206.333 2.801 30 20 BFED C[C@@H]1C[C@@H](c2cccnc2)N(CC2(C#N)CC2)C1 336365044 OEYCKDXDMQLJTD-OCCSQVGLSA-N 241.338 2.768 30 20 BFED C=C1CCN(Cc2ccc(C)nc2)CC1 336400621 OKLXOEYJPOHTML-UHFFFAOYSA-N 202.301 2.542 30 20 BFED CCC[C@H](Cc1ccccc1)NCCC#N 336734279 KTUGHCMMRRVFQS-CQSZACIVSA-N 216.328 2.901 30 20 BFED C=C(C)CN1CCC(N[C@@H]2CCC23CCC3)CC1 337519290 OCJKWGCZVMPYOX-OAHLLOKOSA-N 248.414 2.949 30 20 BFED C=CCN(C(=O)N[C@@H]1CCC[C@H]1C)C1CC1 337862347 NDOHAIQQMKXQFH-ZYHUDNBSSA-N 222.332 2.535 30 20 BFED Cc1c(C#N)cccc1C(=O)N1CCC[C@@H](C)C1 338107049 GXYMEODQIWCNLG-LLVKDONJSA-N 242.322 2.739 30 20 BFED C=CC[C@@H](CC)NC(=O)N(C)Cc1cccn1C 341366485 MCHFPWAWGAJXKU-GFCCVEGCSA-N 249.358 2.521 30 20 BFED C=CCOCC(=O)Nc1ccccc1CCC 354579260 MBZSYPCHCGJXSU-UHFFFAOYSA-N 233.311 2.780 30 20 BFED C=CCNC(=O)C1(Cc2ccc(Cl)cc2)CC1 355895527 LPHHKVPPCXUZHM-UHFFFAOYSA-N 249.741 2.965 30 20 BFED C[C@H]1CN(c2cccnc2C#N)CC(C)(C)C1 357441896 OUWCPTLAZVYQRR-LLVKDONJSA-N 229.327 2.826 30 20 BFED C=CCN(CCOc1cccc(OC)c1)C1CC1 357527350 JNNSTYYYVMEVCU-UHFFFAOYSA-N 247.338 2.724 30 20 BFED C=C(C)CN(CC)C(=O)CC[C@H](C)SC 358551899 GUYJLDWJTSINEC-NSHDSACASA-N 229.389 2.943 30 20 BFED Cc1ccnc(NCC2(C(F)F)CC2)c1C#N 359809574 DIHYWWDQPFZAQL-UHFFFAOYSA-N 237.253 2.719 30 20 BFED CCC#C[C@H](C)N[C@H]1CC(C)(C)OC1(C)C 381397546 PEFDFKRDDMHFAZ-RYUDHWBXSA-N 223.360 2.724 30 20 BFED O=C(O)C1CCC(=NOC2CCCC2)CC1 382152853 QAWQZUVLGYDPEN-UHFFFAOYSA-N 225.288 2.576 30 20 BFED C=CC[C@@H](CC)NCc1c(Cl)c(C)nn1C 393857052 VFJNRJSNQOKRTG-SNVBAGLBSA-N 241.766 2.826 30 20 BFED Cc1cc(=NC[C@@H]2CC[C@H](C)C2)c(C#N)c[nH]1 399532204 VCUYDPBCLDRYMI-CMPLNLGQSA-N 229.327 2.532 30 20 BFED CCC[C@@H](C#N)N(C)C(=O)[C@@H]1CCC(C)(C)C1 410832698 DVTPFQSOLSMOPX-NEPJUHHUSA-N 236.359 2.963 30 20 BFED CCN(Cc1occc1C)C(=O)CCCC#N 412797535 HIHWTKRLTWPNBJ-UHFFFAOYSA-N 234.299 2.630 30 20 BFED C=CC[C@H](CO)CN[C@@H](CCC)[C@@H]1CC1(C)C 417313730 WUNUJNKHMHWNFI-IHRRRGAJSA-N 239.403 2.975 30 20 BFED C[C@H](SCC1(C#N)CCC1)c1cnccn1 419452214 OTQNMGNOQADWCA-JTQLQIEISA-N 233.340 2.965 30 20 BFED C=C(C)C(C)(C)C(=O)NCC1(CCOC)CC1 424738585 NBHYPKAVYXHORY-UHFFFAOYSA-N 239.359 2.522 30 20 BFED C=CC1CCN(Cc2nc(C(C)(C)C)n[nH]2)CC1 432817559 FSPCJYRTRYZVTN-UHFFFAOYSA-N 248.374 2.500 30 20 BFED CC1(C#N)CCC(NCCc2ccco2)CC1 449061038 HIIXJJSNADLFPP-UHFFFAOYSA-N 232.327 2.884 30 20 BFED C=C[C@@H]1OCC[C@H]1NCc1ccc([C@@H]2C[C@@H]2C)o1 449520480 PTYCZVKVSJEBSU-ASEORRQLSA-N 247.338 2.836 30 20 BFED C=CC(C)(C)CNC(=O)[C@@](C)(C=C)CC 452776882 SSFSXOZOKHYXHB-ZDUSSCGKSA-N 209.333 2.917 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@H](C)C(C)(F)F 452860804 IXTLXWBFUCXTIR-PSASIEDQSA-N 219.275 2.749 30 20 BFED C=C(C)CCNC(=O)N1CCC[C@@H]1CC 455303289 ADPOLOPRMDDRBN-NSHDSACASA-N 210.321 2.537 30 20 BFED C=CCC1(CNC(=O)[C@H](C)SC)CCCC1 456484404 JOCQCNUMAOGUDQ-NSHDSACASA-N 241.400 2.991 30 20 BFED C=CCCC[C@@H](C)N[C@@H](C)c1ccn(C)n1 459792000 NSCLKOHSHXVHEC-NEPJUHHUSA-N 221.348 2.816 30 20 BFED C=CC[C@H](CC)NC(=O)N1C[C@@H](C)C[C@@H]1C 466395341 IXEBBMPUCFOOJH-SRVKXCTJSA-N 224.348 2.781 30 20 BFED C=CCCCCNC(=O)N1CC[C@@H]1C(C)C 474086022 AASWJJNCWMXHQW-GFCCVEGCSA-N 224.348 2.783 30 20 BFED C#C[C@H](NC(=O)/C=C(\C)CCC)C(C)C 490629140 LBKILGAQWNKCIF-ZKQHCESOSA-N 207.317 2.507 30 20 BFED C#C[C@H](C)N(C)C(=O)c1coc2c(C)cccc12 491486597 XNCYWUKPVPIXAO-NSHDSACASA-N 241.290 2.835 30 20 BFED CCCCNc1ccccc1C(=O)N[C@@H](C)C#N 515180119 XKKSPQJSCXSXEC-NSHDSACASA-N 245.326 2.540 30 20 BFED CCC[C@H](C#N)NC(=O)[C@@H](C)c1cccc(F)c1 525157201 UEYBYRNRXNCCQH-GXFFZTMASA-N 248.301 2.738 30 20 BFED C=CCOCCCSCC(=O)OC(C)(C)C 526995527 RPESWQKJNUNBRN-UHFFFAOYSA-N 246.372 2.654 30 20 BFED CC(C)O[C@@]1(C)C[C@H]1N[C@H]1CCC[C@H](C#N)C1 528004362 FTROBOCWHJPODI-FQUUOJAGSA-N 236.359 2.614 30 20 BFED CC#CCCNC(=O)NCCCC(C)(C)C 548513281 HPQXDIPRWXOQSR-UHFFFAOYSA-N 224.348 2.525 30 20 BFED C[C@@H]1Oc2ccccc2[C@@H]1N[C@H]1CC[C@@H](C#N)C1 564323677 OEZYCNFRLUNGSX-OZTPJHRESA-N 242.322 2.790 30 20 BFED CC[C@@]1(C)C[C@@H]1C(=O)N(CCC#N)C(C)C 576878216 MQAKPITYKFBABX-YPMHNXCESA-N 222.332 2.573 30 20 BFED CC(C)(C)CNC(=O)CCCCCC#N 588153438 QWYAIXCDKVHBQE-UHFFFAOYSA-N 210.321 2.623 30 20 BFED Cc1[nH]c2ncnc(SCCC#N)c2c1C 591948743 BBZRWBKMRSRYAH-UHFFFAOYSA-N 232.312 2.581 30 20 BFED CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCCCCC#N 592590762 HKYRLNPQPXITRX-NWDGAFQWSA-N 236.359 2.869 30 20 BFED Cc1cc(-c2cnn(C)c2C)cc(C)c1C#N 592989242 MVRPJPXNIBGHGA-UHFFFAOYSA-N 225.295 2.884 30 20 BFED CC[C@@H](C#N)C(=O)NC[C@@H](CC)c1ccccc1 593393292 UJYZBCOXDUTZDQ-QWHCGFSZSA-N 244.338 2.846 30 20 BFED CC[C@H](C#N)C(=O)N[C@H]1CCC[C@H](C(C)C)C1 593453919 SIMSZDGTJHVNGM-AGIUHOORSA-N 236.359 2.867 30 20 BFED CC[C@H](C#N)N(C)C(=O)c1cc(C)c(F)c(C)c1 594086497 WABGAIIUKQVIOW-GFCCVEGCSA-N 248.301 2.817 30 20 BFED C[C@H](Cc1ccccn1)NCC(C)(C)CCC#N 594518896 QMPBQXNANUGLJS-CYBMUJFWSA-N 245.370 2.932 30 20 BFED CC(C)=CCCN1CCC(CC#N)CC1 595426924 UBHIIBGAQNTGFR-UHFFFAOYSA-N 206.333 2.968 30 20 BFED CC[C@H](C)CCNc1nccc(C#N)c1[N+](=O)[O-] 596415546 LAIGPZLWKCPHLF-VIFPVBQESA-N 248.286 2.710 30 20 BFED C=CCC1(NC(=O)NCC(C)(C)C#N)CCCC1 596549498 HAOYQUZRUPYMMC-UHFFFAOYSA-N 249.358 2.724 30 20 BFED CCO[C@@H](CC)c1noc([C@H](C)CC#N)n1 596622214 WOUANUFGNXQRAN-BDAKNGLRSA-N 223.276 2.574 30 20 BFED CCN(C(=O)C[C@@H]1CCCC[C@@H]1C)[C@H](C)C#N 598356800 XNLFBLSDMSVTTP-XQQFMLRXSA-N 236.359 2.963 30 20 BFED C[C@@]1(CN[C@@H]2CC[C@H](C#N)C2)CCCS1 600166719 JHYXGEMHCKGEJV-TUAOUCFPSA-N 224.373 2.554 30 20 BFED CC1=NN(c2cccc(C)c2)C(=O)[C@@H]1CCC#N 603923415 HUEGXXUGLPXSGO-CYBMUJFWSA-N 241.294 2.638 30 20 BFED CC(C)C[C@H](C#N)NC(=O)[C@H]1CCC[C@H](C)C1 610196694 WZHFZGMTIJXTCE-RWMBFGLXSA-N 236.359 2.867 30 20 BFED Cc1csc(CN2CCC[C@](C)(C#N)C2)n1 612159283 STUNZBAWEBTDRO-GFCCVEGCSA-N 235.356 2.577 30 20 BFED Cc1cc(CN2CC[C@@](F)(C#N)C2)ccc1F 615651604 UTAOZVSPDAYNIV-CYBMUJFWSA-N 236.265 2.572 30 20 BFED Cc1cccc(C#C[C@@H]2CCC[C@H]2O)c1 616581071 CUSCKZHGAIBUQE-UONOGXRCSA-N 200.281 2.508 30 20 BFED C=C[C@](C)(CC)C(=O)NCC1=CCCC1 620008990 YVZFAHMKUUDRNO-CYBMUJFWSA-N 207.317 2.815 30 20 BFED C=CCCOCC(=O)N1C[C@@H](C)c2ccccc21 620193754 BZLRTSWUIKOOHB-GFCCVEGCSA-N 245.322 2.729 30 20 BFED C=CCCCNCc1cc2cnccc2o1 651789291 HNMCARFWPBGQDY-UHFFFAOYSA-N 216.284 2.884 30 20 BFED C=C[C@H](C(=O)O)N1CCCC2(CCCCC2)C1 652413455 BYYUMECIFDUMSM-GFCCVEGCSA-N 237.343 2.672 30 20 BFED C=CCCCCCn1cc(C2CC2)nn1 664122018 LXYOFQFKWUBPKA-UHFFFAOYSA-N 205.305 2.902 30 20 BFED C=CCC1(N[C@@H]2CCC[C@@H]2C)CCOCC1 668552803 UDTZPWGHMQBHQL-QWHCGFSZSA-N 223.360 2.890 30 20 BFED COCC#CCOc1cc(F)ccc1Cl 669825524 MWDRUKDDGPCIES-UHFFFAOYSA-N 228.650 2.508 30 20 BFED C=CC[C@@H](C)NC(=O)c1ccc2cc(C)cn2c1 672903488 KHKCKERFTNAQOW-GFCCVEGCSA-N 242.322 2.942 30 20 BFED C=CCN(c1ncnc2c1CCCC2)C1CC1 678482880 PVKXQGPBEHLPSG-UHFFFAOYSA-N 229.327 2.510 30 20 BFED CC1(O)CCC(Nc2ccc(F)cc2C#N)CC1 702985609 UTEQNHKWXHFYSK-UHFFFAOYSA-N 248.301 2.803 30 20 BFED CNC(=S)NN=C1CCC[C@H]1CCC(C)C 727250851 YRTBFOPBNJQHKG-JTQLQIEISA-N 241.404 2.673 30 20 BFED C=CCCCOC(=O)c1cnc2ccccc2n1 735526899 CTNAJMNFSQPBGG-UHFFFAOYSA-N 242.278 2.753 30 20 BFED CC#CCOC(=O)[C@@H](C)c1ccc(CC)cc1 744945247 KMLZKWYFFSSTFL-LBPRGKRZSA-N 230.307 2.919 30 20 BFED Cn1ccc(C=NNCc2ccccc2Cl)c1 749859104 QAMSSUITEUXNGB-UHFFFAOYSA-N 247.729 2.802 30 20 BFED CCC(CC)NN=Cc1ccccc1NC(C)=O 755730286 HQTZPKUMBBQLPM-UHFFFAOYSA-N 247.342 2.757 30 20 BFED C#CC[C@@H](NCc1ccncc1)c1ccccc1 756995034 CGBDRTJPBXYITE-MRXNPFEDSA-N 236.318 2.936 30 20 BFED C#CC[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccccc1 757598696 KDGXCKBKIHOKOV-BNOWGMLFSA-N 227.307 2.523 30 20 BFED C#CC[C@H](NC(=O)c1cc[nH]c1)c1ccccc1 757599998 XGMATIVTYAIGAU-AWEZNQCLSA-N 238.290 2.509 30 20 BFED CC#CCCOC(=O)C[C@H]1CC[C@@H](C)C1 760290550 ZTHDBUICPUTFOL-NEPJUHHUSA-N 208.301 2.769 30 20 BFED C#CCCN(C)[C@@H]1C[C@H](OC)C1(CC)CC 760859604 HXPLIJAYZPQLQY-OLZOCXBDSA-N 223.360 2.535 30 20 BFED C/C=C/C=C\C(=O)Oc1ccc(C#N)cc1F 769738461 PIALPJXXRSWXSK-IAROGAJJSA-N 231.226 2.735 30 20 BFED C#CCN1[C@H](C)Cc2cc(F)ccc2[C@H]1C 769954186 PLCNMOOAUTVHNA-GHMZBOCLSA-N 217.287 2.767 30 20 BFED C=C(CC)COC(=O)c1cc(C)n(C)c1C 773428926 AGFDDZGISVKFKF-UHFFFAOYSA-N 221.300 2.765 30 20 BFED C=C(CC)COC(=O)c1cccc(N(C)C)c1 773431942 QNJSOGWCCYMALN-UHFFFAOYSA-N 233.311 2.876 30 20 BFED C=C(CC)COC(=O)c1cc(Cl)cn1C 773456660 OSZBRSZXSXOIBC-UHFFFAOYSA-N 227.691 2.802 30 20 BFED C=C(CC)COC(=O)c1ccccc1CC#N 773476385 IZJAUKNHGWQCKP-UHFFFAOYSA-N 229.279 2.876 30 20 BFED CCOCCON=Cc1coc2ccccc12 774423695 XCXIPJBTQJUTHC-UHFFFAOYSA-N 233.267 2.820 30 20 BFED N#CC1(COC(=O)c2cc3c(s2)CCC3)CC1 775826914 IRUBUSKNJMTNQI-UHFFFAOYSA-N 247.319 2.697 30 20 BFED CC(C)(C#N)CCOC(=O)c1ccsc1 776365068 RMUWYNGHZVIXAN-UHFFFAOYSA-N 223.297 2.845 30 20 BFED COC[C@@H](C)NN=C(c1ccccc1C)C1CC1 777893893 CPCHDWFOCBVAGI-GFCCVEGCSA-N 246.354 2.734 30 20 BFED C#CCCCCCC(=O)N1CC[C@@H](CC)C1 779928789 GAKCIZFUOXZZSN-CYBMUJFWSA-N 221.344 2.829 30 20 BFED C#CCCCCCC(=O)N=c1cc(C)[nH]cc1C 780016300 HFGTVFVPJBGDRM-UHFFFAOYSA-N 244.338 2.643 30 20 BFED C=CCCOC(=O)C[C@@H]1CCO[C@@H](CC)C1 781770096 KIIFQKPCKRZSDJ-NEPJUHHUSA-N 226.316 2.701 30 20 BFED C#CCN(CC#CC)C(=O)[C@H]1CC[C@H](CC)CC1 784119797 BKOYGWVEOPYVAB-SHTZXODSSA-N 245.366 2.688 30 20 BFED C=C(C)CCOC(=O)c1c[nH]nc1-c1ccoc1 789438465 SHEILZSIQKEFDD-UHFFFAOYSA-N 246.266 2.793 30 20 BFED CCN(C)c1ccc(C=NOCC(C)C)cn1 790172844 XHLFEQAAFSTZHM-UHFFFAOYSA-N 235.331 2.544 30 20 BFED CC(C)CNN=C1CCC[C@H](c2ccnn2C)C1 790297338 JJUFYTKZRAOBMS-LBPRGKRZSA-N 248.374 2.679 30 20 BFED C=CCCCC(=O)OCc1cc(C)ccn1 791399653 OUQHHUSTPWWPMR-UHFFFAOYSA-N 219.284 2.790 30 20 BFED CC(=NN[C@H](C)C(C)(C)C)c1ccc(F)cn1 793114379 LRJTWPMLPUZMCC-SNVBAGLBSA-N 237.322 2.969 30 20 BFED Fc1cccnc1NN=C[C@H]1C[C@H]2C=C[C@H]1C2 794994357 VCEAEORWBQLGFK-GARJFASQSA-N 231.274 2.831 30 20 BFED C#CC[C@H](OC(=O)c1cc(C#N)oc1C)C(C)C 797952168 QYVSXMNPWUDRFL-ZDUSSCGKSA-N 245.278 2.664 30 20 BFED CCC(CC)NN=C1CCC[C@H]1CCOC 799880159 FLOFKWAHHNCOPV-NSHDSACASA-N 226.364 2.957 30 20 BFED C[C@H]1CCCC1=NNC[C@@H]1CCSC1 811657501 PGSREAHATXRIER-UWVGGRQHSA-N 212.362 2.505 30 20 BFED C[C@H]1CN(C(=O)CCCC#N)Cc2ccccc21 812532119 ILQLUXAZDZPQPW-LBPRGKRZSA-N 242.322 2.826 30 20 BFED COc1cccc2c1CCC2=NOCC1CC1 814244030 BSYVXXXODLOKGD-UHFFFAOYSA-N 231.295 2.772 30 20 BFED CCC(CC)=NN[C@H](C)c1ccncc1 819815209 NWDGQLBJMXYKJY-SNVBAGLBSA-N 205.305 2.908 30 20 BFED C#Cc1cnc(N(C)[C@@H]2CCc3ccccc32)nc1 827349175 HPOBOJUOHDAFCP-OAHLLOKOSA-N 249.317 2.582 30 20 BFED C#Cc1cnc(NC2C[C@@H](C)C[C@H](C)C2)nc1 827661016 IGWXUDVDBWJATF-QWRGUYRKSA-N 229.327 2.695 30 20 BFED C#Cc1cnc(NCCCC(C)(C)C)nc1 827661950 WPZXODQULCKWSC-UHFFFAOYSA-N 217.316 2.696 30 20 BFED C#C[C@@H](C)N(C)c1nc2cccc(F)c2s1 828037340 ZWXHITGLCOWDTJ-MRVPVSSYSA-N 234.299 2.893 30 20 BFED C#Cc1cnc(NC[C@H]2CCCC2(C)C)nc1 828258668 GMCMFDNUYCWBNR-GFCCVEGCSA-N 229.327 2.696 30 20 BFED C=C[C@H](CC)CC(=O)N1CCS[C@H](C)C1 828626481 QPKZVUYXPMSWIO-GHMZBOCLSA-N 227.373 2.553 30 20 BFED CC(=O)c1cc(C#N)ccc1NC(C)C 834672217 CZCBTJBMTABBHF-UHFFFAOYSA-N 202.257 2.581 30 20 BFED Cc1nc(Cl)ccc1NC(=O)C#CC(C)C 834726113 ZAOFUVINXFWCJU-UHFFFAOYSA-N 236.702 2.641 30 20 BFED CC(C)C#CC(=O)N(C)[C@@H]1CCC(C)(C)C1 834851743 FMXIRHOEIMYJSW-GFCCVEGCSA-N 221.344 2.683 30 20 BFED CC1(C#N)CCC(=NO[C@H]2CCCCO2)CC1 834966114 CVFJIOKYDJKXRW-UEWDXFNNSA-N 236.315 2.989 30 20 BFED C=CC(C)(C)COC(=O)c1c(CC)noc1C 835723909 BWZRISASLYMIKK-UHFFFAOYSA-N 237.299 2.914 30 20 BFED O=C(C#CC1CC1)N1CCC[C@@H]1c1ccsc1 837344348 GELRCPLGTNQELR-CYBMUJFWSA-N 245.347 2.825 30 20 BFED C#CC[C@@H](OC(=O)COC(C)(C)CC)C1CC1 838812961 GKKKTQGYCMNIJO-GFCCVEGCSA-N 238.327 2.537 30 20 BFED C[C@@H]1CN(C(=O)C#Cc2ccccc2)[C@H](C)[C@@H]1C 841361052 NFLOIUSJDWQFFU-MGPQQGTHSA-N 241.334 2.541 30 20 BFED CON=C1CCCCc2ccc([N+](=O)[O-])cc21 841619235 KWIZQNSTKUVHBU-UHFFFAOYSA-N 234.255 2.672 30 20 BFED CCCON=C(C)c1ccc(OC)c(O)c1 842550315 DCKDISFEBBTJGD-UHFFFAOYSA-N 223.272 2.551 30 20 BFED CCCON=Cc1nc2ccccc2nc1C 842550336 DPMOTODXYDPCIR-UHFFFAOYSA-N 229.283 2.699 30 20 BFED CCCON=C1CCC(C(=O)OCC)CC1 842555616 DHMXNMSSMALYAA-UHFFFAOYSA-N 227.304 2.522 30 20 BFED CCCCCCn1cc(C)cc(C#N)c1=O 842601553 ZQZLVPGOYLMEGF-UHFFFAOYSA-N 218.300 2.609 30 20 BFED C#C[C@@H](CC)OC(=O)C1CC2(CCC2)C1 842763643 HMRYUDYELNQXTD-NSHDSACASA-N 206.285 2.522 30 20 BFED C=CCN(C(=O)c1ccnn1CC(C)C)C(C)C 843526916 ZKZMWECJMDNMSR-UHFFFAOYSA-N 249.358 2.576 30 20 BFED C#C[C@H](NC(=O)/C=C(\C)C1CC1)c1ccccc1 843638056 HNPZUVKLRRDNBR-RUMSDORHSA-N 239.318 2.833 30 20 BFED C=C[C@@H](C)ONC(=O)Nc1ccccc1CC 844488191 QKXJSNSUAAAPTB-SNVBAGLBSA-N 234.299 2.877 30 20 BFED C=C(C)CON=CC1(OC)CCCCC1 844617779 BSRKKAWBDCIVNY-UHFFFAOYSA-N 211.305 2.914 30 20 BFED C#CCC[C@@H](C)OC(=O)[C@@H]1C[C@H]1C1CCC1 845599377 WKIMQYSHXROLPK-KGYLQXTDSA-N 220.312 2.768 30 20 BFED C=C[C@H](C)ONC(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 845623387 IAFCETQLQLCFPQ-FIQHERPVSA-N 240.347 2.616 30 20 BFED C=C(Cl)CN[C@@H](C)c1cccc(OC)c1O 846156848 YQNLAJWSVRZTMY-VIFPVBQESA-N 241.718 2.804 30 20 BFED C=C[C@@H](C)ONC(=O)c1ccc(Cl)c(C)c1 846544940 CSYNFQRHUHNJQQ-SECBINFHSA-N 239.702 2.884 30 20 BFED C=C[C@H](C)ONC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 846555542 WGKGJYGFIXRNTJ-NOOOWODRSA-N 225.332 2.681 30 20 BFED C[C@H]1CCCC[C@@H]1COC(=O)C(C)(C)C#N 849698382 HIFCMLMHPRXQCL-WDEREUQCSA-N 223.316 2.906 30 20 BFED C=CCN(Cc1cnon1)CC1CCCCC1 851768670 NFLKYJCJHLDTQN-UHFFFAOYSA-N 235.331 2.638 30 20 BFED C=CCN(CC1CC(F)(F)C1)[C@@H](C)COC 852356355 BWQSWEJLBMOIJH-JTQLQIEISA-N 233.302 2.555 30 20 BFED CCCCCCCCN1CCC(=O)N(C)CC1 852578227 XWLYXGUZHZTROA-UHFFFAOYSA-N 240.391 2.511 30 20 BFED CC(=NN1CCCC[C@H]1C)c1ccc(N)cc1 853379547 IUHWTINXTNPUEP-LLVKDONJSA-N 231.343 2.867 30 20 BFED Cc1ccc(C=NOCC2CCC2)cn1 853439154 DALKMMGKITWZAJ-UHFFFAOYSA-N 204.273 2.541 30 20 BFED C#C[C@](C)(CC)NC(=O)/C=C(\C)C(C)(C)C 854692942 KSIMPLUSDUHESR-PLSXKVAHSA-N 221.344 2.897 30 20 BFED C[C@H](C#N)N(C(=O)[C@H](F)c1ccccc1)C1CC1 855583452 YWUZLZIVCUMFRP-ZWNOBZJWSA-N 246.285 2.600 30 20 BFED CCCCCCC(=O)N(C1CC1)[C@H](C)C#N 855584079 OKEFIDCALMBHGE-LLVKDONJSA-N 222.332 2.860 30 20 BFED C/C(=C/C(=O)N1CC(C)(C#N)C1)c1cccs1 857199250 IBAKBKQOUMYGIH-POHAHGRESA-N 246.335 2.523 30 20 BFED C#CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CC 857594772 OEEJECKICFGYMJ-NWDGAFQWSA-N 221.344 2.731 30 20 BFED C#CCCOC(=O)N(C1CC1)[C@H](C)C(C)C 858902111 XELUOPFJYUUZIH-LLVKDONJSA-N 223.316 2.655 30 20 BFED C=CCCCOC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 860138113 ISXFALWAUMDGOK-BJDJZHNGSA-N 226.316 2.555 30 20 BFED CC[C@@H](O)CNN=C(C)c1cccc(C(C)C)c1 863113565 XYFWPNPKNYOZPI-OAHLLOKOSA-N 248.370 2.895 30 20 BFED Cc1cccc(-c2ncnn2CC2CC2)c1C#N 864533555 MUBCLRXBLNRUES-UHFFFAOYSA-N 238.294 2.535 30 20 BFED C[C@@H](COC(=O)c1cnccc1C#N)C(C)(C)C 869519841 ZOMVNEFDZNUPKG-JTQLQIEISA-N 246.310 2.792 30 20 BFED F[C@@H]1CCCC1=NN[C@H]1C[C@H]2CC[C@H]1C2 872362238 JLHNMERQBXIHEA-GUDRVLHUSA-N 210.296 2.643 30 20 BFED C#CC1CCN(Cc2nc(Cl)cs2)CC1 877606664 HRLIRVRUPUJOLV-UHFFFAOYSA-N 240.759 2.642 30 20 BFED C=CC(C)(C)CC(=O)N(OC)C1CCCC1 879469903 GQNNNMMEUKDJSG-UHFFFAOYSA-N 225.332 2.921 30 20 BFED C=C/C=C/CCNC(=O)C(C)(C)C(=C)C 881569081 GGAAAECLLSMZFE-BQYQJAHWSA-N 207.317 2.837 30 20 BFED Fc1cccc(/C=C\C=NOC[C@@H]2CCOC2)c1 884453669 VWPDFJRDTDUFAJ-IMCUGKFNSA-N 249.285 2.878 30 20 BFED CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(C#N)cn1 889222655 XCCLPXUVOQBNFP-NXEZZACHSA-N 246.314 2.509 30 20 BFED C=CC(C)(C)CC(=O)Nc1cccc(F)n1 889989729 INMOYTILKCWGHG-UHFFFAOYSA-N 222.263 2.762 30 20 BFED CCN(Cc1cnn(C2CCC2)c1)C[C@@H](C)C#N 891715817 HEFHXYAYWJLGFP-LBPRGKRZSA-N 246.358 2.590 30 20 BFED C=C1CCN(C(=O)NCCC(C)(C)C)CC1 892050313 SFBAPUVZRDILKP-UHFFFAOYSA-N 224.348 2.784 30 20 BFED C[C@@H]1CCCN1c1cc(C#N)sc1[N+](=O)[O-] 892738179 SRYSJSZJCAFZSK-SSDOTTSWSA-N 237.284 2.517 30 20 BFED C=CC(C)(C)CC(=O)OC[C@H]1CCSC1 892853624 LEIRAFQROYIIGE-SNVBAGLBSA-N 228.357 2.885 30 20 BFED Cc1cc(C#N)nc(N[C@@H]2CCOC(C)(C)C2)c1 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2.707 30 20 BFED C=CCC1(NCCOCCOCC)CCCC1 931021508 LKCMAMIDKGHXOE-UHFFFAOYSA-N 241.375 2.518 30 20 BFED CC(=NNCc1ccc(F)cc1)c1cncs1 1116287101 ZOACBSGJUPPCNE-UHFFFAOYSA-N 249.314 2.796 30 20 BFED CC(C)(C)ON=Cc1cccc2c1OCCCO2 1116404117 ANUIAKDACZHAEH-UHFFFAOYSA-N 249.310 2.997 30 20 BFED C=CCN(C)Cc1ccc2c(c1)CCCO2 1138716529 MDKHEWYVRSIRPL-UHFFFAOYSA-N 217.312 2.629 30 20 BFED N#Cc1c(F)cccc1-c1nnc(CC2CC2)o1 1261575723 RKEBYFJTDPADFV-UHFFFAOYSA-N 243.241 2.700 30 20 BFED CC[C@H](C)[C@H](C)C(=O)N(CC)[C@H](C#N)CC 1262813332 VERMDXAOBTYOED-SRVKXCTJSA-N 224.348 2.819 30 20 BFED C=C1CN(C(=O)CCCCc2cccc(O)c2)C1 1263860861 JLTHDXHNLKDPFO-UHFFFAOYSA-N 245.322 2.503 30 20 BFED C=C(CC)C(=O)N1CCC(F)(F)C[C@H]1C 1263867548 DBXGDQPXDVOUGR-SECBINFHSA-N 217.259 2.599 30 20 BFED CC(C)(C)ON=Cc1ccc2c(c1)CCO2 1323133186 SNGPROMPAYFTMK-UHFFFAOYSA-N 219.284 2.771 30 20 BFED CCON=Cc1nc2c(s1)C[C@@H](C)CC2 1324201515 HVLVXDHGEIBZPV-QMMMGPOBSA-N 224.329 2.638 30 20 BFED Cn1ccc(NN=C2CCC[C@@H](C3CC3)C2)n1 1326241326 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240.306 2.929 30 20 BFED C=CC[C@@H](C)NC(=O)Nc1ccccc1F 116931856 ARQQQWYFZBCJFV-SECBINFHSA-N 222.263 2.912 30 20 BFED C=CCCCN1CCC[C@@H](c2nc(C)no2)C1 117874080 GYGOUAFXWJHXGO-GFCCVEGCSA-N 235.331 2.524 30 20 BFED N#CC1(COc2ccc(Cl)cc2C=O)CC1 118855741 OAYPMRCOYRPSBF-UHFFFAOYSA-N 235.670 2.835 30 20 BFED N#Cc1ccc(COC(=O)C2=CCCC2)cc1 119887764 WPCVUYLDWJQECV-UHFFFAOYSA-N 227.263 2.712 30 20 BFED C=C[C@@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F 121764231 DYNIIRAVIFBNFI-ZCFIWIBFSA-N 228.198 2.859 30 20 BFED CC[C@H](C#N)Nc1ccc2c(c1)C(=O)CCC2 122256812 QAODZJXLESQOJG-LLVKDONJSA-N 228.295 2.920 30 20 BFED C[C@H]1CCC[C@](C#N)(NC(=O)[C@H]2CC2(C)C)C1 129511335 XDPKRMCXXYXREX-WDMOLILDSA-N 234.343 2.621 30 20 BFED C=C[C@H](C)N[C@H](C)Cc1ccc(OC)c(OC)c1 132678980 WGUJZPYOCBRNLC-NWDGAFQWSA-N 249.354 2.799 30 20 BFED C=C[C@](C)(CC)C(=O)N[C@H]1CCOC(C)(C)C1 135146943 LOGCJFGFFJABII-SMDDNHRTSA-N 239.359 2.663 30 20 BFED C=C(Cl)CNC(=O)c1cc(C)c(F)cc1F 135639615 YLQULSNKLYICOA-UHFFFAOYSA-N 245.656 2.756 30 20 BFED 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CC1(C)SC[C@@H]1/N=C(/O)C1(C#N)CCCC1 328730955 GHASURIAJNPFKI-VIFPVBQESA-N 238.356 2.921 30 20 BFED C=CCC(C)(C)C(=O)N1CC[C@](C)(F)C1 334275724 CFSLIQTWIQGBIV-LBPRGKRZSA-N 213.296 2.549 30 20 BFED CN1CCCN(CC2(C#N)CC2)c2ccccc21 334285784 BXHPODWSYAADIV-UHFFFAOYSA-N 241.338 2.637 30 20 BFED N#C[C@H]1CC[C@@H](N2CCC(C(F)(F)F)CC2)C1 334368120 SAEKLEQBSVUBRV-GXSJLCMTSA-N 246.276 2.953 30 20 BFED N#CC1(CN2CC[C@H](c3ccc(F)cc3)C2)CC1 334523713 IHSXHMWQDIEVTP-ZDUSSCGKSA-N 244.313 2.919 30 20 BFED CC[C@H]1C[C@@H](C)CN1C(=O)NCC1(C#N)CCC1 334947854 MISGMOJHVTVPFC-NEPJUHHUSA-N 249.358 2.510 30 20 BFED N#CCc1ccccc1NC(=O)c1ccco1 335419356 UDYHRCNRQCBWRY-UHFFFAOYSA-N 226.235 2.598 30 20 BFED Cc1cccc(NC(=O)[C@]2(C#N)C[C@@H]2C)c1C 335435021 OXADGNQIDGODHS-HZMBPMFUSA-N 228.295 2.792 30 20 BFED Cc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](C#N)C1 335555132 XUKDYBVSDKDYCI-CMPLNLGQSA-N 246.285 2.556 30 20 BFED N#CCc1ccc(Cn2cc(Cl)cn2)cc1 335911104 JLBIUKGWNRNPJG-UHFFFAOYSA-N 231.686 2.651 30 20 BFED 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2.564 30 20 BFED C#C[C@@](C)(CC)NC(=O)c1sccc1C 395140919 CFQDKTVEVBKOMT-LBPRGKRZSA-N 221.325 2.588 30 20 BFED CCC1(CN=c2cc(C)[nH]cc2C#N)CCC1 399524710 RUHWMCBXYRKERM-UHFFFAOYSA-N 229.327 2.676 30 20 BFED CC[C@H]1CN(Cc2ccc(C#N)cc2)[C@H](C)CO1 403906430 BBJRAWYNEMPEAD-DOMZBBRYSA-N 244.338 2.558 30 20 BFED C[C@H](C#N)N(C)C(=O)C[C@@H]1CCCCC1(C)C 410882889 KOBLFFFRNTVXGN-NEPJUHHUSA-N 236.359 2.963 30 20 BFED C=CCCN1CCN(Cc2ccccc2)[C@H](C)C1 411983495 MCTVZVLMCHNKJT-OAHLLOKOSA-N 244.382 2.769 30 20 BFED CC(C)(C)C1CN(c2c(C#N)cccc2C#N)C1 413361927 LABINIPBELGRDI-UHFFFAOYSA-N 239.322 2.912 30 20 BFED C=C(C)C(C)(C)C(=O)NCc1cnc(C)cc1C 424866985 PYAASODBTVMCOA-UHFFFAOYSA-N 246.354 2.917 30 20 BFED C=C(C)C(C)(C)C(=O)NCc1cnccc1C 424872360 NELQVHDZBHGNNB-UHFFFAOYSA-N 232.327 2.609 30 20 BFED C=CCCNc1ccc2c(c1)cc(C)c(=O)n2C 427818663 INPKNNKWEJPLTM-UHFFFAOYSA-N 242.322 2.835 30 20 BFED CO[C@@H]1CCCC[C@@H]1NCCCC(C)(C)C#N 429502855 DTQOWVKHRUYUNA-QWHCGFSZSA-N 238.375 2.864 30 20 BFED 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30 20 BFED CC[C@@H](C#N)N(C)C(=O)[C@H]1CC2CCC1CC2 594089785 BHSQKVOHWIIYPI-TYUFSLCMSA-N 234.343 2.573 30 20 BFED Cc1cccc2[nH]c(CNCCCC#N)cc12 594942559 JHBRHOULRXIYDS-UHFFFAOYSA-N 227.311 2.870 30 20 BFED C=CC[C@H]1CCCN(c2ccncc2C#N)C1 596426423 CGEWXMCKDMRRHQ-LBPRGKRZSA-N 227.311 2.746 30 20 BFED COC(=O)CCCCOc1ccc(C#N)c(C)c1 600531635 KIXJVXRGNUUILZ-UHFFFAOYSA-N 247.294 2.589 30 20 BFED N#Cc1ccc(N2C3CCC2CC3)c([N+](=O)[O-])c1 602094052 GMVHPYZQBIBPSK-UHFFFAOYSA-N 243.266 2.598 30 20 BFED C[C@@H](CCC#N)CNC[C@H]1CCOC(C)(C)C1 602687746 LZYIWIDUBMKFLW-STQMWFEESA-N 238.375 2.721 30 20 BFED CCCCN(CC)C(=O)Nc1ccnc(C#N)c1 603140466 VLJVNJNLDPQKJP-UHFFFAOYSA-N 246.314 2.607 30 20 BFED C=CC(C)(C)CNC(=O)CCCc1cccnc1 615830558 DKFMAPLZDPJWRN-UHFFFAOYSA-N 246.354 2.733 30 20 BFED C=CCC1(C(=O)N[C@H](C#N)CC(C)C)CCC1 616911246 RYCBKBVPIFZGQV-LBPRGKRZSA-N 234.343 2.787 30 20 BFED C=CCC1(NC(=O)[C@H]2CCCCO2)CCCC1 619108603 YQQVBXMVWBHLCG-GFCCVEGCSA-N 237.343 2.561 30 20 BFED C=CCCC(=O)NCc1ccc(C#N)c(Cl)c1 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30 20 BFED C#CCN[C@H](c1ccc(F)cc1)C1CCC1 104706271 ZKPRHBCJCNEOLA-AWEZNQCLSA-N 217.287 2.890 30 20 BFED CC(C)C[C@H](C)NC(=O)Cc1ccc(C#N)cc1 110615810 MEUYGPSFEXNHML-LBPRGKRZSA-N 244.338 2.652 30 20 BFED C#CCNC(=O)N(Cc1ccccc1)[C@H](C)CC 117021757 DMJSXDPZNRJKGF-CYBMUJFWSA-N 244.338 2.630 30 20 BFED C[C@@H]1CC[C@H](Nc2ccc(C#N)nc2)C1 129210203 UDQLBXNOCHEALR-ZJUUUORDSA-N 201.273 2.554 30 20 BFED C=CCC[C@@H](C)N[C@@H](C)C1CCOCC1 132391303 IVUKQNGZCRNMAT-NEPJUHHUSA-N 211.349 2.746 30 20 BFED C=C[C@](C)(CC)C(=O)Nc1cnccc1OC 135027564 TXOBMLPGATYLNK-CYBMUJFWSA-N 234.299 2.631 30 20 BFED N#Cc1ccc(OC(=O)c2ccco2)c(F)c1 158074171 BMLYTZQIQZAQDG-UHFFFAOYSA-N 231.182 2.510 30 20 BFED C=CCOCCCC(=O)N[C@H]1CCC[C@H]1CC 159585959 DWSQKUSCRNQLKS-OLZOCXBDSA-N 239.359 2.664 30 20 BFED C=CCN1CCC(N[C@H](CC)C(C)C)CC1 167402406 UDCLYYZDTVJKPK-CQSZACIVSA-N 224.392 2.661 30 20 BFED C#CCCOC(=O)c1cc(Cl)ccc1F 170718929 APOMVJPXVSTZKZ-UHFFFAOYSA-N 226.634 2.659 30 20 BFED C=CC[C@@H](C)NC(=O)Cc1ccc2c(c1)CCC2 172323062 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CDCHBDQSTKVTJC-UHFFFAOYSA-N 210.346 2.835 30 20 BFED C=CC[C@H](C(=O)N(C)[C@@H](C)C#N)c1ccccc1 297677900 CPFNEOCRZTUOMD-JSGCOSHPSA-N 242.322 2.717 30 20 BFED C=C(Cl)CNC(=O)c1csc(Cl)c1 306233622 CPDYIIRBGKFLGV-UHFFFAOYSA-N 236.123 2.884 30 20 BFED C[C@H](CC#N)NCc1c(F)cccc1Cl 308844091 LJKKBNLAQZFFLN-MRVPVSSYSA-N 226.682 2.871 30 20 BFED C=CCC[C@@H](C)NCC1(COC)CCC1 308919856 OQPLFMYLNXOZQI-GFCCVEGCSA-N 211.349 2.747 30 20 BFED N#Cc1ncccc1N[C@@H]1CCC(F)(F)C1 309654454 YSRMPVNODAGAJX-MRVPVSSYSA-N 223.226 2.553 30 20 BFED C#C[C@H](N[C@@H](COC)CC(C)C)C(C)(C)C 309943956 COBYZLIHZNARAO-OLZOCXBDSA-N 225.376 2.685 30 20 BFED C=CCC[C@H](CCC)NC[C@H](CO)C(C)C 310026371 PMVQTEWGTDPHBF-KGLIPLIRSA-N 227.392 2.975 30 20 BFED C#C[C@H](NCc1cc(F)ccc1OC)C(C)C 310215204 DYVIUFKHUOSJOO-ZDUSSCGKSA-N 235.302 2.582 30 20 BFED CC(C)C[C@](C)(C#N)/N=C(/O)C1=CCOCC1 330865515 YZYAZTJMOAVSQJ-CYBMUJFWSA-N 236.315 2.618 30 20 BFED C=C[C@@H](C)NC(=O)c1ccc2nccc(C)c2c1 334336853 UEHGVXZTPLBGGV-LLVKDONJSA-N 240.306 2.848 30 20 BFED Cc1ccc(C(=O)NC2(C#N)CCC2)c(Cl)c1 334538033 OXPRVTLIHRBASP-UHFFFAOYSA-N 248.713 2.825 30 20 BFED CC#CCCNC(=O)N1CC(C)(C)[C@H]2CCC[C@@H]21 334701688 NTVBEMHNELJHMG-STQMWFEESA-N 248.370 2.620 30 20 BFED C[C@H]1CC[C@H](N(C)C(=O)c2cc(C#N)cs2)C1 334764504 RWRQESNMBXWIMQ-ONGXEEELSA-N 248.351 2.880 30 20 BFED C=CCN(C)C(=O)c1ccc2c(c1)CCC=C2 334976657 DYQVVPLZWRZACB-UHFFFAOYSA-N 227.307 2.904 30 20 BFED CC1=C(C)C[C@@H](C(=O)N(CC#N)C2CC2)CC1 335356417 CEKFVWALDXDFPG-LBPRGKRZSA-N 232.327 2.637 30 20 BFED C[C@H]1CC2(CCC2)CN1c1ccc(C#N)cn1 336137835 NCFRZONJQPUMKB-NSHDSACASA-N 227.311 2.722 30 20 BFED C[C@@H]1CC[C@H](N[C@H]2CCC[C@H](C#N)C2)C1 336675484 AJNKXAQIAHWUSD-VOAKCMCISA-N 206.333 2.847 30 20 BFED C=CC[C@H](C)[C@H](C)NCCC1CCOCC1 336730571 DRSQTJDBLNEQMQ-STQMWFEESA-N 225.376 2.993 30 20 BFED COc1cc2nc(C)sc2cc1N[C@@H](C)C#N 338958148 SFIZEYMEICVRKL-ZETCQYMHSA-N 247.323 2.937 30 20 BFED COc1ccc(C)cc1[C@H](C)NCC1(C#N)CC1 343584525 WDYBDYSNWPBPKW-LBPRGKRZSA-N 244.338 2.958 30 20 BFED CC(C)OC(=O)C1(c2cccc(C#N)c2)CC1 343936827 PGIQNJZYSHOCRX-UHFFFAOYSA-N 229.279 2.541 30 20 BFED C=C(C)CCc1noc([C@@H]2C[C@H]3CC[C@@H]2O3)n1 351234296 YCFXVZJMEFHPOZ-MXWKQRLJSA-N 234.299 2.613 30 20 BFED C=CCC(C)(C)CNC(=O)CC1CCC1 352488584 RTLATNVIUOXPJW-UHFFFAOYSA-N 209.333 2.895 30 20 BFED C=CCCCCCN(C)C(=O)[C@@H]1CO[C@@H](C)C1 352967736 YKAVVQGSYKXECT-STQMWFEESA-N 239.359 2.616 30 20 BFED C=CCOCc1nc(-c2cccc(C)c2)no1 355554000 ATGCTOQXSABWBB-UHFFFAOYSA-N 230.267 2.748 30 20 BFED C[C@H](c1ccc(F)cc1)[S@@](=O)CCCC#N 357783826 BHPOEIJFCUXVOK-HWPZZCPQSA-N 239.315 2.939 30 20 BFED N#Cc1ccc(F)c(CNC(=O)CCC2CC2)c1 361886963 BDWUMIRCYVZFRK-UHFFFAOYSA-N 246.285 2.504 30 20 BFED C=C[C@@H](C)NC(=O)c1cc(CC)c(C)s1 362587635 MAONTJSUYQZDQI-MRVPVSSYSA-N 223.341 2.923 30 20 BFED C[C@@H](CC#N)N(C)CCSC(C)(C)C 379483081 AHMSNFDMPBQBIZ-JTQLQIEISA-N 214.378 2.752 30 20 BFED C[C@H](CC#N)N(C)c1cc(C(C)(C)C)ncn1 379751497 NAUYLVARAZIKJY-SNVBAGLBSA-N 232.331 2.512 30 20 BFED C#C[C@H](CC)NCc1cnc(C2CCC2)s1 381550562 MOVJFEORPOQHNB-LLVKDONJSA-N 234.368 2.912 30 20 BFED C=C(C)CCNCc1csc([N+](=O)[O-])c1 387457779 RLBGLSMENNAUFE-UHFFFAOYSA-N 226.301 2.712 30 20 BFED CCCCCCCCC(=O)N1C[C@H](C)[C@H](O)C1 387858299 KVYLHFPQKHWDFM-QWHCGFSZSA-N 241.375 2.576 30 20 BFED C=C(Br)CSc1nccn1CC 388394044 FVUKRGYNHOMRGJ-UHFFFAOYSA-N 247.161 2.904 30 20 BFED C=C[C@H](C)N[C@@H]1CCc2cccc(O)c21 389982045 JQMMCFXNNMMQFN-GXSJLCMTSA-N 203.285 2.544 30 20 BFED CC1(C)C[C@H](CNc2cccnc2C#N)CCO1 413336764 MXSWWQFFXPPSFI-LLVKDONJSA-N 245.326 2.570 30 20 BFED C=C(C)CCN1C[C@H](CC)O[C@H](CC)C1 420962343 UBLWZNQEXRAYSB-BETUJISGSA-N 211.349 2.842 30 20 BFED C=CCC[C@@H](NCC1=CCNCC1)c1ccco1 423343631 MCWCQAGHDIEJLP-CQSZACIVSA-N 246.354 2.796 30 20 BFED C=C(C)C(C)(C)C(=O)N(CC)C[C@@H](C)C#N 424608513 STEQIFJPGGTQIQ-NSHDSACASA-N 222.332 2.597 30 20 BFED N#CCC1(CNCc2cccc3cc[nH]c23)CC1 430024557 SZALISKBIKCSTR-UHFFFAOYSA-N 239.322 2.951 30 20 BFED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(C)(C)CC 437515449 FKIKCFSPRQGZEA-NWDGAFQWSA-N 239.359 2.520 30 20 BFED C[C@@H]1CN(C(=O)[C@]2(C#N)C[C@@H]2C)c2ccccc21 448714889 QWJDQGFSZIESMV-ZETOZRRWSA-N 240.306 2.686 30 20 BFED C=CCN(CC=C)C[C@@H](Cc1ccccc1)OC 450254966 XAVPUGHWFDCWDP-MRXNPFEDSA-N 245.366 2.918 30 20 BFED C=C(C)C[C@@H](C)C(=O)Nc1cnc2n1CCCC2 452334267 MJCWTQOVQUMAEK-LLVKDONJSA-N 247.342 2.760 30 20 BFED C=C(C)CCNC(=O)C12CCC(CC1)C2 452720382 WQAKLOUGVKKWTJ-UHFFFAOYSA-N 207.317 2.649 30 20 BFED Cc1ccc(CCN[C@H]2CCC[C@H](C#N)C2)nc1 453411991 HFUNCHUQWNRVIZ-ZFWWWQNUSA-N 243.354 2.605 30 20 BFED CC#CCN(C)C(=O)N[C@H]1CCCC[C@H]1CC 457823250 XCOOYHWZFDITCB-OLZOCXBDSA-N 236.359 2.620 30 20 BFED CC#CCN(C)[C@H](C)Cc1cccc(F)c1 459772922 UYRQILJHCPRPAM-GFCCVEGCSA-N 219.303 2.712 30 20 BFED CCC[C@H](C)[C@@H]1CCCN1C(=O)[C@@H](C)C#N 489286836 ZNZHTKLXBDVZKZ-SRVKXCTJSA-N 222.332 2.573 30 20 BFED CC(C)CC[C@H]1CCCN1C(=O)[C@@H](C)C#N 489372015 QJEJESXIPDOCJT-NWDGAFQWSA-N 222.332 2.573 30 20 BFED C#C[C@@H](C)N(C)Cc1cc2ccccc2o1 491651175 DWOVECUDULBHFT-LLVKDONJSA-N 213.280 2.886 30 20 BFED C#C[C@H](NC(=O)N1CCCC2(CC2)C1)C(C)(C)C 491665181 ROWKCSQJWLNEAA-LBPRGKRZSA-N 248.370 2.620 30 20 BFED C#C[C@H](CCC)NC(=O)/C=C\C1CCCC1 491745025 WUYOBXUAXUAEAL-BSYHEUMXSA-N 219.328 2.651 30 20 BFED C=CCn1c(CC)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C 519118863 LWZKAPXXGAIYJD-SRVKXCTJSA-N 248.374 2.507 30 20 BFED C=C[C@@](C)(CC)C(=O)N1CCC(CC#N)CC1 525951763 JQUWWNKNWWUNAG-AWEZNQCLSA-N 234.343 2.741 30 20 BFED N#CC[C@@H](CC(=O)NCCCF)c1ccccc1 527250262 YFRVLSDYQGUBEF-ZDUSSCGKSA-N 248.301 2.550 30 20 BFED C[C@@H]1CC(F)(F)CCN1c1cccc(C#N)n1 528206424 IRRPQUJDICCALK-SECBINFHSA-N 237.253 2.577 30 20 BFED C=C1CCN(C(=O)C[C@H](C)c2ccco2)CC1 528433086 XKOOQEQNUVNXDQ-LBPRGKRZSA-N 233.311 2.952 30 20 BFED C=CCN(C(=O)CC1CCSCC1)C1CC1 539033473 MMZUZWNYMGWKTP-UHFFFAOYSA-N 239.384 2.697 30 20 BFED CC(C)CCCSc1ncncc1C#N 564725051 OKEHICDAGXUTBN-UHFFFAOYSA-N 221.329 2.877 30 20 BFED C=CCCCCN[C@H](CC)[C@@H]1CCCO1 573415745 JRYZZZLLSOTIDC-OLZOCXBDSA-N 211.349 2.890 30 20 BFED CC(C)n1cc([C@H](C)NCC2(C#N)CCC2)cn1 574485455 WKMUIRGDQLHCEP-LBPRGKRZSA-N 246.358 2.808 30 20 BFED C=C(CC)CNCC1Cc2ccccc2C1 576074121 QEKBVIUFBANMRR-UHFFFAOYSA-N 215.340 2.957 30 20 BFED C=CCCCCN(C)CC[C@@H]1CCCO1 582401412 BNFLHFBNANKCLL-ZDUSSCGKSA-N 211.349 2.844 30 20 BFED CC[C@](C)(C#N)C(=O)N1CCC(C2CC2)CC1 590430594 VDQCMHNYXQNYKD-CQSZACIVSA-N 234.343 2.575 30 20 BFED CCCN1CCCc2cc(C#N)ccc21 590601125 NCVPFMNYNSAYFD-UHFFFAOYSA-N 200.285 2.721 30 20 BFED C=CCC[C@H](CC)N[C@H]1CCC[C@H]1C(=O)OC 590658489 RBYAKZOINWKMIH-XQQFMLRXSA-N 239.359 2.663 30 20 BFED C[C@H]1SCC[C@H]1NC1CCC(C)(C#N)CC1 592380089 LSTNLCYGBPRNGQ-CQLXCSJHSA-N 238.400 2.942 30 20 BFED CCc1nsc(-c2ccc(OC)cc2C#N)n1 596640106 DTBNTUJOGIQNTO-UHFFFAOYSA-N 245.307 2.648 30 20 BFED CCN(CCC#N)C(=O)C1[C@H]2CCCCCC[C@H]12 596889410 BPXJYSMICXKPIM-STQMWFEESA-N 248.370 2.965 30 20 BFED C=CC[C@H]1CCCN(C(=O)[C@H](CC)SC)C1 597998810 PMODXXZTVOMHGO-RYUDHWBXSA-N 241.400 2.943 30 20 BFED Cc1cc(C(=O)N(C2CC2)[C@@H](C)C#N)c(C)s1 598127862 UUSZWQOHOJTQES-QMMMGPOBSA-N 248.351 2.882 30 20 BFED Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(F)c1 601128610 ASTBEHJNCHBNFH-WCQYABFASA-N 232.302 2.916 30 20 BFED C[C@@H](CCC#N)CN(C)Cc1ccco1 602431022 BAMVPXUSDRNNJC-NSHDSACASA-N 206.289 2.651 30 20 BFED CCn1ccc(CN(C)C[C@@H](C)CCC#N)c1 602633462 MFHBFLHPHGFAKU-ZDUSSCGKSA-N 233.359 2.880 30 20 BFED CC1(F)CCN(Cc2cccc(C#N)c2)CC1 602742680 NAKZJWDJQHZCMP-UHFFFAOYSA-N 232.302 2.882 30 20 BFED C=CCN(Cc1ccc(C#N)cc1)[C@H](C)COC 604493616 PUXKJIASNBPHOS-CYBMUJFWSA-N 244.338 2.581 30 20 BFED C=C[C@H](C)NC(=O)c1oc(SC)cc1C 612264808 RVQOZGQFGVRADB-QMMMGPOBSA-N 225.313 2.614 30 20 BFED C=CCCC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618788882 ZYJOEFVQGXWASY-CQSZACIVSA-N 240.306 2.628 30 20 BFED C=CCN(Cc1nccnc1C)C(C)(C)C 639830064 ZGXHYRRVRQNYPT-UHFFFAOYSA-N 219.332 2.572 30 20 BFED C=CCC1(NCc2ccc(N)nc2)CCCC1 656790830 BIGVDTWPZBGIJJ-UHFFFAOYSA-N 231.343 2.642 30 20 BFED C=CCCN[C@@H]1CCN([C@@H](C)c2ccccc2)C1 657583048 VQYXIWDQHYCMPP-GOEBONIOSA-N 244.382 2.988 30 20 BFED C=CCC1(NCc2cnc(C)nc2)CCCC1 657703098 SSUBXKUKTWYHAI-UHFFFAOYSA-N 231.343 2.764 30 20 BFED C=C(C)CCN[C@H](CO)c1ccc(F)cc1F 662167221 YJFLKEUODGKLTA-CYBMUJFWSA-N 241.281 2.554 30 20 BFED C=C(C)CN1CCN(CC(=C)C)[C@H](C)[C@H]1C 662225703 MUAXYYMUGOUJAR-ZIAGYGMSSA-N 222.376 2.533 30 20 BFED C=CCCNC(=O)Nc1ccc2c(c1)CCC2 665192817 BEOHTPZTVUMMHZ-UHFFFAOYSA-N 230.311 2.873 30 20 BFED C=CC[C@H]1CCCN(Cc2ccnn2CC)C1 668493051 JLDBFGASTPQTGY-ZDUSSCGKSA-N 233.359 2.691 30 20 BFED C=C[C@H](C)NC(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 674934307 XAVGZJRSLFGTRH-JBLDHEPKSA-N 248.326 2.777 30 20 BFED N#Cc1ccc(NCC2SCCS2)cc1 692880356 MHBPDNLQEUVFFY-UHFFFAOYSA-N 236.365 2.776 30 20 BFED C[C@H](Cc1ccccn1)N[C@H](C)CC(C)(C)C#N 693999652 GGGJOVYRQINLLW-CHWSQXEVSA-N 245.370 2.931 30 20 BFED C=CCC1(O)CCN(CCCCCC)CC1 717421592 CDVMRZWOQQHJQK-UHFFFAOYSA-N 225.376 2.970 30 20 BFED C=CCCOC(=O)/C=C\c1ccc2c(c1)OCO2 729073371 UWLIIVSUWRDPMS-ALCCZGGFSA-N 246.262 2.548 30 20 BFED C=CCN(C(=O)N[C@H]1CCC[C@@H]1C)C(C)C 729623446 JDXSIUWXJAUANH-RYUDHWBXSA-N 224.348 2.781 30 20 BFED C#CCNC(=O)N[C@H](CCCCC)C(C)(C)C 734518410 ZTNDIOAUHIGNGI-GFCCVEGCSA-N 238.375 2.914 30 20 BFED C=CCNC(=S)N(CC)Cc1ccc(C)cc1 745668618 AQLHSVNZEUWGNG-UHFFFAOYSA-N 248.395 2.877 30 20 BFED C[C@H]1OCCC1=NNc1ccc(F)cc1F 747736374 OYQOTNGOSWZAKT-SSDOTTSWSA-N 226.226 2.542 30 20 BFED COCCON=Cc1cccc2ccccc12 748788662 JAPVAENHWFAICS-UHFFFAOYSA-N 229.279 2.837 30 20 BFED C#C[C@H](CC)NC(=O)N[C@H]1CCC[C@@H](C)CC1 753259204 ANMKUXYCDRWEAI-UPJWGTAASA-N 236.359 2.666 30 20 BFED C#CC(=O)N(C)Cc1c(Cl)cccc1Cl 753924611 WIJFMEMZVAMFLH-UHFFFAOYSA-N 242.105 2.585 30 20 BFED C=CCON=Cc1ccccc1OCC 754779374 VYXXMMWGBCHDJN-UHFFFAOYSA-N 205.257 2.622 30 20 BFED COc1ccc(NN=CC(C)C)c([N+](=O)[O-])c1 755802133 KXWQWYHMRUUCOW-UHFFFAOYSA-N 237.259 2.657 30 20 BFED C=C(C)CNC(=S)N[C@H]1CCC[C@@H]1CC 756807641 IPQZKERFEKSCIW-QWRGUYRKSA-N 226.389 2.605 30 20 BFED CCCNC(=S)NN=C1CCCCC1(C)C 757563418 LXIKWVHPTNSKOB-UHFFFAOYSA-N 241.404 2.817 30 20 BFED CCC[C@H](C#N)NC(=O)C=C(CC)CC 759177545 ZTJJDJPRKDMNIA-LLVKDONJSA-N 208.305 2.541 30 20 BFED C#Cc1cccc(NC(=O)[C@@H]2CC23CCC3)c1 759692098 YEZRTZVGSJLHLG-ZDUSSCGKSA-N 225.291 2.797 30 20 BFED C=C(C)CCOC(=O)c1ccc2cc[nH]c2n1 764778401 LUQCORVXZGEQLC-UHFFFAOYSA-N 230.267 2.686 30 20 BFED C#CCOc1ccc(COC(=O)/C(C)=C\C)cc1 765132865 VZIPEBFXNDPNHI-XGICHPGQSA-N 244.290 2.708 30 20 BFED C#C[C@H](C)N(C)c1ccnc2cc(OC)ccc12 767439513 IVNKNZSVJDDVIN-NSHDSACASA-N 240.306 2.701 30 20 BFED COc1ccc(NN=C[C@H]2C[C@@H]2C)c([N+](=O)[O-])c1 767803145 HVJRIHSOMJAILR-DTWKUNHWSA-N 249.270 2.657 30 20 BFED Cc1n[nH]c(C)c1/C=C\C(=O)c1ccco1 769772015 UTRLZARAXFVNMZ-WAYWQWQTSA-N 216.240 2.516 30 20 BFED C=C(CC)COC(=O)[C@H]1CCC(=O)C[C@@H]1C 773547421 RSKLZEUHELPJHW-JQWIXIFHSA-N 224.300 2.501 30 20 BFED C[C@H]1CCC(=NOC2CCOCC2)[C@H](C)C1 774433546 PWZADYONJMELDD-WDEREUQCSA-N 225.332 2.994 30 20 BFED C=CCCC(=O)COC(=O)C[C@@H]1C=CCCC1 778400323 UKYWJGNNOXVRLI-GFCCVEGCSA-N 236.311 2.811 30 20 BFED C#CCN(CC)CCCc1cccc(F)c1 778949141 YBPCPGMVAXIDDJ-UHFFFAOYSA-N 219.303 2.713 30 20 BFED CCC(Cc1ccccc1)=NN[C@@H]1CCCOC1 780261081 KLTQCYWXWNCMCD-OAHLLOKOSA-N 246.354 2.764 30 20 BFED COc1ccc(NN=CC(C)(C)C)nc1 780268366 HWJPATFFPLGNQC-UHFFFAOYSA-N 207.277 2.534 30 20 BFED CC[C@@H](C)NN=C1CCN(Cc2ccccc2)C1 790180877 BFHFJHIGANRLHK-CYBMUJFWSA-N 245.370 2.636 30 20 BFED C=CCCC(=O)COC(=O)C[C@H](C)CC 791505654 VMEZYHVKMPBLAX-SNVBAGLBSA-N 212.289 2.501 30 20 BFED C=CCCCCC[C@@H](C)NCCn1cccn1 793532480 LIUTYSYZRAUEHB-CQSZACIVSA-N 235.375 2.998 30 20 BFED C[C@H](ONC(=O)C(C)(C)C)c1cccc(C#N)c1 794720694 NHFWBHTWWINASN-JTQLQIEISA-N 246.310 2.713 30 20 BFED FCC[C@H]1CCCC1=NNCC(F)(F)F 794930143 DTZFGKFTKSRFTO-SSDOTTSWSA-N 226.217 2.654 30 20 BFED CC[C@@H]1CC[C@@H](C)CC1=NN(C)CCOC 794962920 BKYBBYPOSUGQOG-VXGBXAGGSA-N 226.364 2.767 30 20 BFED C=CCNN=C/C(C)=C\c1ccccc1 795003561 KQBDEMLKHRAPBA-JSCHWNROSA-N 200.285 2.851 30 20 BFED N#Cc1ccc(C(=O)OCCc2cccs2)o1 796140106 DALPGUQLIJQQSV-UHFFFAOYSA-N 247.275 2.612 30 20 BFED C=CCCOC(=O)c1oc(CCC)nc1C 796538816 VCTLEHXSYYXDNH-UHFFFAOYSA-N 223.272 2.668 30 20 BFED CC(CCCC(C)C)=NNCC(C)(C)CO 799115818 RSKUHKANWIFNIO-UHFFFAOYSA-N 228.380 2.797 30 20 BFED CC[C@@H]1CCN(C(=O)c2ccc(C)c(C#N)c2)C1 799347390 WCWPOSCTLCGQEP-GFCCVEGCSA-N 242.322 2.739 30 20 BFED CCCCNN=C(C)c1coc(C(C)C)n1 799477185 KGDYQWMXWZIGKH-UHFFFAOYSA-N 223.320 2.912 30 20 BFED CC(C)(C)SCCN(CCC#N)CCC#N 801936390 OQNOFURQTNFAJP-UHFFFAOYSA-N 239.388 2.647 30 20 BFED CC(C)C1(C)CCN(CCO[C@@H](C)C#N)CC1 801945376 FLNVRCDZJVXELD-ZDUSSCGKSA-N 238.375 2.673 30 20 BFED CC(C)C(Cn1cccn1)=NNC1CCCCC1 802712978 ZJALIARWAVBTMB-UHFFFAOYSA-N 248.374 2.817 30 20 BFED C=C(C)CCOC(=O)c1nc(Cl)ccc1F 803411514 QLPMMLLLQAIIEJ-UHFFFAOYSA-N 243.665 2.997 30 20 BFED Cc1cc(COC(=O)c2c[nH]c(C#N)c2)cs1 806023268 TXINTWCOVYFBCX-UHFFFAOYSA-N 246.291 2.613 30 20 BFED CCO[C@H]1CCCC1=NOC/C=C\Cl 811668586 HTPGXHYXXVAIRD-NWDHXRRDSA-N 217.696 2.701 30 20 BFED C#CCON=C(C)c1cc(C)sc1C 812234735 SUEJPADQBMEMHQ-UHFFFAOYSA-N 207.298 2.739 30 20 BFED C=CCOCCSc1nccn1C1CC1 814738593 FTZSOHPVKAPJQA-UHFFFAOYSA-N 224.329 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CC[C@@H]1c2ccccc2CN1C(=O)NCCC#N 894485419 MOOXPRNLYITBOP-CYBMUJFWSA-N 243.310 2.577 30 20 BFED C=C1CN(C(=O)c2c(F)cccc2SC)C1 898701759 WXHPJXKFLWASOG-UHFFFAOYSA-N 237.299 2.560 30 20 BFED C=C1CN(C(=O)[C@H]2CCC[C@@H]2CCC)C1 898703604 UMJWYYHEQOXANE-RYUDHWBXSA-N 207.317 2.601 30 20 BFED C=CC[S@@](=O)CCCOCc1ccccc1 905221979 FPPNOOVJRGYIIV-MRXNPFEDSA-N 238.352 2.528 30 20 BFED Oc1cccc(/C=N/Cc2cccc(F)c2)c1O 914773431 HQEVKHKJXWADNF-CXUHLZMHSA-N 245.253 2.856 30 20 BFED Cc1n[nH]c(C)c1C=NN[C@@H](C)c1ccccc1 920383818 YUVGTPUUSVSNNC-JTQLQIEISA-N 242.326 2.711 30 20 BFED CC[C@H](CC(=O)N1CCC[C@H](C#N)C1)C(C)C 928224539 MLAHXOHWKJFXMB-CHWSQXEVSA-N 236.359 2.821 30 20 BFED C#CCN(CC)C(=O)Cc1ccc(C)c(Cl)c1 930580226 QEPFGLCRXYNDAP-UHFFFAOYSA-N 249.741 2.673 30 20 BFED C=C1CN(C(=O)Nc2cc(OC)c(C)cc2C)C1 931236476 FKFLUAOQIGTORV-UHFFFAOYSA-N 246.310 2.716 30 20 BFED C#Cc1ccc(N2CC[C@H](C)[C@H](C)C2)nc1 1120830258 NMLISUWOKBHPPD-NWDGAFQWSA-N 214.312 2.545 30 20 BFED C=C(C)CN[C@H](C)C[C@H](C)NC(=O)CCCC 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30 20 BFED C[C@H](CNCCC#N)Oc1ccccc1Cl 576980909 YVLVDLQYXLAZLW-SNVBAGLBSA-N 238.718 2.611 30 20 BFED CC[C@H](C#N)C(=O)N(C1CC1)[C@@H](C)[C@H](C)CC 593449960 CJFRXASGYMBAJC-GRYCIOLGSA-N 236.359 2.962 30 20 BFED N#CC[C@@H]1CCCN(Cc2ncc(C3CC3)o2)C1 595620275 LHTVXODLXHRGRF-NSHDSACASA-N 245.326 2.678 30 20 BFED C[C@H](N(C)Cc1cccc(C#N)n1)C1(C)CC1 602483737 KWHLWYHMCIFPEI-NSHDSACASA-N 229.327 2.574 30 20 BFED CCc1ccccc1CCN[C@@H](C)CC#N 602870168 MIUNZYLKXAISJF-LBPRGKRZSA-N 216.328 2.683 30 20 BFED N#CCCN(Cc1ccc(O)cc1)CC1CC1 611526272 GOUNPIYKVREPJD-UHFFFAOYSA-N 230.311 2.518 30 20 BFED N#CCc1ccc(CN2CC=CCC2)cc1 612121636 JRDAIYHNDKVPTE-UHFFFAOYSA-N 212.296 2.515 30 20 BFED C[C@H](C(=O)N1CCC[C@](C)(C#N)C1)c1ccco1 612240607 RPCDKYGFYUKSHU-SMDDNHRTSA-N 246.310 2.535 30 20 BFED C=CCCC(C)(C)NC(=O)[C@@H](CCC)OC 620856184 NLSTVEQVNZQWOQ-LLVKDONJSA-N 227.348 2.663 30 20 BFED C=CCCNC(=O)CCc1cccc(OCC)c1 628058372 IJTUMNMHROXKPY-UHFFFAOYSA-N 247.338 2.710 30 20 BFED C=CCN(C(=O)c1ncccc1OC)C(C)(C)C 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C=C(C)CCC(=O)O[C@H]1CCN2CCC[C@@H]2C1 1343533833 QQFAKHWODRWNGZ-OLZOCXBDSA-N 237.343 2.513 30 20 BFED CC(C)(F)COC(=O)c1ccc(C#N)cc1F 1345703445 ONRFHGHKFJKQAS-UHFFFAOYSA-N 239.221 2.602 30 20 BFED C=CCCCC(=O)N1CCc2cc(O)ccc2C1 1515044183 SSVSMDKJKCYGGX-UHFFFAOYSA-N 245.322 2.633 30 20 BFED C=C(CC(C)C)C(=O)N(C)Cc1cscn1 1527489097 SNTBFTVNBRUSNU-UHFFFAOYSA-N 238.356 2.704 30 20 BFED C=CC[C@H](Sc1cc(C)cc(C)n1)C(=O)O 1588758830 KDJGZVCWYUUADD-JTQLQIEISA-N 237.324 2.820 30 20 BFED C=C1C[C@@H](C(=O)O)N(C[C@H](CC)CCCC)C1 1776146024 BYPRTQNMVQJUDD-OLZOCXBDSA-N 239.359 2.918 30 20 BFED C=CC[C@@H](NC[C@@H]1C(C)=CCC[C@@H]1C)C(=O)O 1776185423 IBOOEIRUTZZDAF-YNEHKIRRSA-N 237.343 2.598 30 20 BFED N#CCCNCc1ccc(-c2nccs2)cc1 2090608674 FBBIGCMEZNISNG-UHFFFAOYSA-N 243.335 2.813 30 20 BFED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCCC#N 20199450 FGGOHXHEPZLGHY-UPJWGTAASA-N 208.349 2.950 30 20 BFED Cc1nnc(N[C@@H]2CCC[C@H](C)C2)c(C#N)c1C 25571442 MROUQWDWQXAPIG-JOYOIKCWSA-N 244.342 2.956 30 20 BFED 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OAYQYQVLUFJYPN-UHFFFAOYSA-N 228.339 2.911 30 20 BFED COC(=O)[C@H](C)CSCc1ccccc1C#N 78821611 MLPZASZUCQKKBC-SNVBAGLBSA-N 249.335 2.601 30 20 BFED Cc1csc(CN(CCC#N)C(C)C)n1 88536268 OIUPWOIVKVJPGL-UHFFFAOYSA-N 223.345 2.576 30 20 BFED N#Cc1csc(CNc2cccc(CO)c2)c1 93686376 FZRBETAFTFQZRB-UHFFFAOYSA-N 244.319 2.724 30 20 BFED CC#CCN[C@@H]1CCC[C@@H]1c1ccccc1 119405025 OMYHVNZPMKLEQY-HUUCEWRRSA-N 213.324 2.936 30 20 BFED C=CCCOCCNCc1cccc(C)c1C 120815364 VDYVWWKFTOBNQR-UHFFFAOYSA-N 233.355 2.986 30 20 BFED CC(C)c1ccsc1C(=O)N[C@H](C)C#N 125109582 ZETBBUYKYXXZTR-MRVPVSSYSA-N 222.313 2.513 30 20 BFED C[C@@H](O)C[C@@H](C)Nc1cc(Cl)ccc1C#N 125511691 RHMAKSQGYFAPDC-RKDXNWHRSA-N 238.718 2.783 30 20 BFED C=CCC[C@@H](C)NCCc1nc(C)cs1 126755133 CRTXVYZVIHTERG-SNVBAGLBSA-N 224.373 2.938 30 20 BFED O=C(/C=C/c1cncs1)c1ccc(O)cc1 129876906 UJAHOZKOAMJSBD-AATRIKPKSA-N 231.276 2.745 30 20 BFED C#CCSCCN[C@@H](C)c1ccc(C)o1 129982867 OCTDSZDSHHFDFJ-NSHDSACASA-N 223.341 2.605 30 20 BFED C=CCSCCC(=O)OC(C)(C)C 140196611 OIBRVXJGZBHPFT-UHFFFAOYSA-N 202.319 2.637 30 20 BFED N#CC1(C(=O)N2C[C@H]3CCC[C@@H]3C2)CCCCC1 148404112 WWMNKZAWBNSFMY-CHWSQXEVSA-N 246.354 2.719 30 20 BFED C=C(C)CN(CC)Cc1cccc(OCC)n1 159001197 WXTVKVWBGODZAR-UHFFFAOYSA-N 234.343 2.878 30 20 BFED C=C(Cl)CNCc1ccn(-c2ccccc2)n1 163662449 XDCTXWBMWDLNSV-UHFFFAOYSA-N 247.729 2.714 30 20 BFED C#CCCOC(=O)Cc1ccccc1OC(C)C 170715335 HRDLZUMXKYWMEQ-UHFFFAOYSA-N 246.306 2.583 30 20 BFED CC1(C)[C@H]2CN(Cc3ccccc3C#N)C[C@H]21 172962250 KCUCTDABJQXQHO-OKILXGFUSA-N 226.323 2.646 30 20 BFED CN(CCOc1ccccc1C#N)CCC1CC1 173716730 MRMYJTFVXNRHKG-UHFFFAOYSA-N 244.338 2.669 30 20 BFED C=CCN(CC=C)Cc1cnc(Cl)s1 177166258 ARGLUKQUZOFZLO-UHFFFAOYSA-N 228.748 2.971 30 20 BFED C=CCN[C@@H](C[C@@H]1CCOC1)c1ccccc1 181200117 URASXAXWUHJFGE-ZFWWWQNUSA-N 231.339 2.930 30 20 BFED C=CC[C@H](C)[C@H](C)NCCOCC(=C)C 181343992 IKTZRBAYPVKSHE-STQMWFEESA-N 211.349 2.769 30 20 BFED C#CCC(C)(C)C(=O)Oc1ccc(C)cc1 184865632 UFXONCOJEWEKHJ-UHFFFAOYSA-N 216.280 2.950 30 20 BFED C[C@H]1CCC[C@@H](C)C1NCc1cc(C#N)n(C)c1 190881156 RTXFYEHODAFBMU-ODOQXGPZSA-N 245.370 2.811 30 20 BFED N#CCN(C(=O)C[C@@H]1C=CCC1)c1ccccc1 194664576 WMBSVCVSPFCJJU-CYBMUJFWSA-N 240.306 2.899 30 20 BFED CC[C@@H](C#N)NC(=O)CSc1ccc(C)cc1 195526091 WPWMWQDRUVKAMK-NSHDSACASA-N 248.351 2.506 30 20 BFED COC1(CNc2nc(C)cc(C)c2C#N)CCC1 227304735 IMJGHTRBUDGNJU-UHFFFAOYSA-N 245.326 2.551 30 20 BFED CC(C)C1CCN(C(=O)C2(C#N)CCCC2)CC1 228116351 MRNAIXVAQUUQGK-UHFFFAOYSA-N 248.370 2.965 30 20 BFED C#CCN(C)C(=O)c1ccc(F)c2ccccc12 234245237 NHPSCFZIWVNCOW-UHFFFAOYSA-N 241.265 2.684 30 20 BFED C(=NNc1nc2ccccc2s1)[C@@H]1CCOC1 254656139 FISFFPZUTSJSBV-VIFPVBQESA-N 247.323 2.731 30 20 BFED Cc1ccccc1CNCC1(C#N)CCC1 258941630 PUPQIMSNCSPHPP-UHFFFAOYSA-N 214.312 2.779 30 20 BFED C=CCC[C@H](CC)N[C@@H](CCC)C(=O)O 263386671 DDBHIBXIQPZMBB-QWRGUYRKSA-N 213.321 2.574 30 20 BFED C=C1CCN(C(=O)Cc2cccc(F)c2)CC1 264213241 WKVTWRDIYXAWRE-UHFFFAOYSA-N 233.286 2.547 30 20 BFED Cc1cc(C)cc(NC(=O)CON=C2CCC2)c1 265381350 CSVVWEARFDDMSX-UHFFFAOYSA-N 246.310 2.798 30 20 BFED COc1cc(C#N)ccc1CN1CC=C(C)CC1 271077850 XMGANVPKUWURBE-UHFFFAOYSA-N 242.322 2.719 30 20 BFED C=C(Cl)CSCc1nnc(C)s1 271391352 VUJSUDYFLCDUPR-UHFFFAOYSA-N 220.750 2.832 30 20 BFED C=CCC[C@@H](C)NCCCn1ccnc1C 273437035 XCLALFREKKOPPI-GFCCVEGCSA-N 221.348 2.526 30 20 BFED C=CC[C@H]1N(Cc2noc(C)n2)CCCC1(C)C 277630470 BGMBUOBLSLDGIK-GFCCVEGCSA-N 249.358 2.945 30 20 BFED C=CCCCc1nc(-c2ccco2)no1 277811202 CLIDGGOFSPUXKN-UHFFFAOYSA-N 204.229 2.838 30 20 BFED CCCN(CC(C)C)C(=O)c1cc(C#N)oc1C 280524327 GBJMFZDAEHRTMD-UHFFFAOYSA-N 248.326 2.968 30 20 BFED COc1ccc(CN2CCC=C(C)C2)cc1C#N 280729796 GQNGWBRNZGJEGL-UHFFFAOYSA-N 242.322 2.719 30 20 BFED C=CC[C@@H](CC)NC(=O)Nc1cccc(F)n1 281867849 FEMKGYLAHISDPL-SECBINFHSA-N 237.278 2.697 30 20 BFED C=CCCN(C)CCC(=O)c1ccc(OC)cc1 285221769 GMVZKPPAKBQNIZ-UHFFFAOYSA-N 247.338 2.776 30 20 BFED C#CC[C@H](NC1CCC(O)CC1)c1ccccc1 286209322 RTSRQFQIGOXRSQ-GPANFISMSA-N 243.350 2.644 30 20 BFED C=C(CNC(=O)N(C)C(C)C)c1ccccc1 286889183 ZVNZNUZNUJNXQV-UHFFFAOYSA-N 232.327 2.750 30 20 BFED C=CCCCC(=O)Nc1cccc2c1COC2=O 289562361 DTLDSSNEHTUCHC-UHFFFAOYSA-N 245.278 2.652 30 20 BFED N#Cc1ccnc(SCOC2CCC2)c1 289592602 JQVWBVGJNLPOKM-UHFFFAOYSA-N 220.297 2.572 30 20 BFED CCN(C(=O)CCCC#N)c1ccccc1F 291981323 WHQQRQOIZNJJIZ-UHFFFAOYSA-N 234.274 2.872 30 20 BFED C=CCC1(C(=O)NCc2occc2C)CCC1 292314800 IVEHRGDYEYSZNZ-UHFFFAOYSA-N 233.311 2.951 30 20 BFED C#CCCN[C@H](c1ccccc1)C(F)F 292708270 LIVGOBPHULZTMX-LLVKDONJSA-N 209.239 2.606 30 20 BFED C=CCC(C)(C)C(=O)N[C@H]1CCCSC1 292873132 SADJICYSNDYKNA-JTQLQIEISA-N 227.373 2.601 30 20 BFED C#Cc1cccc(N(C)C(=O)CSC2CC2)c1 294485152 GBNSKUAZRDNTTB-UHFFFAOYSA-N 245.347 2.526 30 20 BFED N#Cc1ccc(N2CCC(CF)CC2)c(F)c1 295056233 UXUQZUFHDWAUIA-UHFFFAOYSA-N 236.265 2.883 30 20 BFED C=CC(C)(C)c1nc(Cc2cncs2)no1 297129203 YXBFCMXTSJQWKN-UHFFFAOYSA-N 235.312 2.581 30 20 BFED C=CC(C)(C)c1nc(CCCOC(C)C)no1 297583566 HEZMBBKYIXEBOA-UHFFFAOYSA-N 238.331 2.891 30 20 BFED C=CCN(CC=C)[C@@H](C)C(=O)Nc1ccccc1 298698919 UXUVFZMVVXRAPF-ZDUSSCGKSA-N 244.338 2.688 30 20 BFED C=CC1CCN(c2nc3ccccc3[nH]2)CC1 301892097 RSKRGOOJUSJMTC-UHFFFAOYSA-N 227.311 2.965 30 20 BFED CCC(CC)CN(CC)c1ccc(C#N)nn1 301921418 FUMOOBJETFIZHQ-UHFFFAOYSA-N 232.331 2.611 30 20 BFED COc1ccc2nc(NC[C@H](C)C#N)ccc2c1 302043233 JFMDLOXYIUSMMJ-SNVBAGLBSA-N 241.294 2.815 30 20 BFED CCCCN/C(N)=N/CCc1ccc(C)cc1C 303883806 MHXYTBKFVSRWHI-UHFFFAOYSA-N 247.386 2.550 30 20 BFED C[C@@H](C#N)OCCNc1ccc(F)cc1Cl 304206225 CXQLKAIEVZOMDN-QMMMGPOBSA-N 242.681 2.820 30 20 BFED Cc1cc(N2C[C@@H](C)S[C@H](C)C2)cc(C#N)n1 308276267 DNRCFOLVFGNERA-GHMZBOCLSA-N 247.367 2.592 30 20 BFED C=C[C@@H](C)N[C@@H](C)c1ncccc1CC 309041960 LTPQZCBIXZREIZ-MNOVXSKESA-N 204.317 2.869 30 20 BFED CC#CCNc1c(C)ccc([N+](=O)[O-])c1C 309311413 BYVAHTPYNZVUCW-UHFFFAOYSA-N 218.256 2.647 30 20 BFED C=C(C)[C@H]1OCC[C@@H]1CNC1CCCCC1 309713323 XYNOLKMMUPEJCM-TZMCWYRMSA-N 223.360 2.890 30 20 BFED C[C@@H]1CCC[C@H]1Nc1cccc(CC#N)n1 309829486 YFAVITXMPOBCSE-ZYHUDNBSSA-N 215.300 2.748 30 20 BFED C=CCSCCN[C@H]1CCC[C@H]1CCOC 309938250 ARTWRCYTIIOCHB-STQMWFEESA-N 243.416 2.700 30 20 BFED C=CCC[C@@H](CO)NCc1sccc1Cl 320193146 BKNIJKGBJLAHNM-VIFPVBQESA-N 245.775 2.818 30 20 BFED C=CCC[C@@H](CO)NC[C@H](C)C(C)(C)C 320589033 YVZXPNYLZWUFNW-RYUDHWBXSA-N 213.365 2.585 30 20 BFED C=CCCOCCN[C@H](CC)[C@@H]1C[C@H]1C 321747991 AHHOOWXRHSUULS-JHJVBQTASA-N 211.349 2.603 30 20 BFED CCC[C@H](NCc1cc(C#N)n(C)c1)C1CCC1 324939640 QAIZKENBTZDOAA-HNNXBMFYSA-N 245.370 2.955 30 20 BFED CC[C@@H](C#N)NC(=O)c1ccc2c(c1)CCC=C2 334353613 IRYHOOXHFUMZJJ-AWEZNQCLSA-N 240.306 2.678 30 20 BFED CN(CC1CCCC1)[C@H]1CC[C@H](C#N)C1 334389717 SACCOIVEKVDHJI-STQMWFEESA-N 206.333 2.801 30 20 BFED N#Cc1ccc(SCc2ccncc2)nc1 334461719 PHNGSDVOPDZPBN-UHFFFAOYSA-N 227.292 2.641 30 20 BFED C=CC(C)(C)C(=O)N1C[C@H](C)S[C@H](C)C1 334759896 SRLSBSZSAZGVAU-AOOOYVTPSA-N 227.373 2.551 30 20 BFED C/C=C/c1ccc(NC(=O)[C@H](C)C#N)cc1 335203847 IEPKCIDEDRPHJA-HMDXOVGESA-N 214.268 2.818 30 20 BFED C[C@H]1CC(C)(C)CN1C(=O)C1(C#N)CCCC1 335261419 JPHXRMGGYQZNAR-NSHDSACASA-N 234.343 2.717 30 20 BFED C[C@@H]1C[C@]1(C#N)c1nc(C(C)(C)C2CCC2)no1 335584602 ZZQBWPSMKLQIMW-YMTOWFKASA-N 245.326 2.948 30 20 BFED Cc1ccccc1[C@H]1CCCN1C(=O)[C@@H](C)C#N 335976227 AKIKEHHCTKXNIJ-GXTWGEPZSA-N 242.322 2.818 30 20 BFED CC(C)(C#N)CC(=O)N1CCC[C@@H](C2CC2)C1 336009988 KYOVMWHWBIWJKI-GFCCVEGCSA-N 234.343 2.575 30 20 BFED C=C[C@H]1CCCCN1Cc1cn2ccsc2n1 336092181 UTEOFPNGQLEHBI-LBPRGKRZSA-N 247.367 2.936 30 20 BFED CCSCC[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 336748800 CWTJPZHKLYSPOJ-QJPTWQEYSA-N 226.389 2.800 30 20 BFED C=C[C@H](C)N[C@@H](C)c1cc(C(=O)OC)cs1 336762796 LRNHOLPKNXQURT-IUCAKERBSA-N 239.340 2.760 30 20 BFED CC1(CCN[C@@H]2CCC[C@H](C#N)C2)CC1 336763316 PAEWOMUZIXJXLQ-NWDGAFQWSA-N 206.333 2.849 30 20 BFED C=CC[C@H](CC)NC(=O)Nc1ncc(C)s1 337259245 VTAAIGOXLFIIPU-VIFPVBQESA-N 239.344 2.928 30 20 BFED N#CCCN[C@@H]1CCC[C@H](c2cccnc2)C1 337512845 SOZNSPWRDVDJEH-GXTWGEPZSA-N 229.327 2.611 30 20 BFED C=CCC(C)(C)c1noc(Cc2cc(C)[nH]n2)n1 340784320 WUBMBHZQNLPQPX-UHFFFAOYSA-N 246.314 2.546 30 20 BFED CCCc1nc(CSCC2(C#N)CC2)no1 344486657 RSIFNWKJVYXDBO-UHFFFAOYSA-N 237.328 2.559 30 20 BFED C=CCC1(C(=O)NC[C@@H]2CCSC2)CCC1 344673714 MJUOQVMXHIIRFO-NSHDSACASA-N 239.384 2.602 30 20 BFED C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](F)C1 345622796 FIBWMTXGSUBTDO-NWDGAFQWSA-N 225.307 2.762 30 20 BFED C=C(CNC(=O)Cc1ccoc1)c1ccccc1 345720742 CUYCCUHEHFKCGB-UHFFFAOYSA-N 241.290 2.652 30 20 BFED C=CCN(CCN1CCCCCC1)C1CCC1 347477378 PZZMXTZKMDVWJC-UHFFFAOYSA-N 236.403 2.903 30 20 BFED C=CCCn1ccnc1C(=O)c1ccc(F)cc1 348104038 CLMYXWVONAHIJR-UHFFFAOYSA-N 244.269 2.829 30 20 BFED C=CCCc1noc([C@@H](C)c2c(C)noc2C)n1 351133229 RDFSMFAHEDDJHL-QMMMGPOBSA-N 247.298 2.945 30 20 BFED C=C(C)CCN[C@@H]1CCCC[C@H]1n1cccn1 351812472 FGGVTZAJXBFDGG-ZIAGYGMSSA-N 233.359 2.923 30 20 BFED CCCC[C@@H](CC)C(=O)N(CC#N)C1CC1 353001742 AMYMTXPFINGCMS-LLVKDONJSA-N 222.332 2.717 30 20 BFED C=CC[C@H](CC)NC(=O)NCC1(SC)CC1 354958548 JFXXEYBGAGGRCN-JTQLQIEISA-N 242.388 2.536 30 20 BFED C=CCNC(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C 359165911 JBLKRDNIEUMAEI-TUAOUCFPSA-N 224.348 2.544 30 20 BFED N#Cc1cc(N2CCC[C@@H]2C2CCCC2)ncn1 380668569 KGWWNXBMCPTWRQ-CYBMUJFWSA-N 242.326 2.507 30 20 BFED C=C[C@H](COC)N[C@H](C)c1ccccc1C 381290064 CTGPNAHNHSRJSX-CHWSQXEVSA-N 219.328 2.847 30 20 BFED C=CCN(CCC)Cc1cccc(C(=O)O)c1 382541466 UTXBONCABKDIGV-UHFFFAOYSA-N 233.311 2.783 30 20 BFED CCCCCCCC(=O)N1C[C@@H](O)C(C)(C)C1 387686173 ICUUBVIASBLYFF-GFCCVEGCSA-N 241.375 2.576 30 20 BFED C=CCCC[C@H](C)NCCC(C)(C)C(=O)O 398157662 GZLISHXPLQNOOO-NSHDSACASA-N 227.348 2.822 30 20 BFED CCCN(CC(F)F)[C@H]1CC[C@@H](C#N)C1 411228667 RKYRQOGXXNTBRI-ZJUUUORDSA-N 216.275 2.656 30 20 BFED N#CCCNC1(c2ccc(Cl)cc2)CC1 411461779 PCTKUPKBULMARE-UHFFFAOYSA-N 220.703 2.832 30 20 BFED N#Cc1ccc(CNC[C@@H]2CC23CC3)c(F)c1 418098510 OPKWIFGUZJUEFJ-LBPRGKRZSA-N 230.286 2.587 30 20 BFED C=CCNC(=O)[C@@H](C)SCC1=CCCCC1 419567707 JBDXKAUGFWHILY-LLVKDONJSA-N 239.384 2.911 30 20 BFED C=CCN(C(=O)[C@@H]1CCCC[C@H]1C)C1CC1 424752697 KZITYOIONPLDEE-DGCLKSJQSA-N 221.344 2.990 30 20 BFED CC(C)(CN[C@H]1CC[C@@H](C#N)C1)N1CCCCC1 442643587 GMFRSYUQNGXPDH-KGLIPLIRSA-N 249.402 2.533 30 20 BFED CC(C)(CN[C@@H]1CC[C@H](C#N)C1)N1CCCCC1 442643589 GMFRSYUQNGXPDH-UONOGXRCSA-N 249.402 2.533 30 20 BFED CC[C@@H](C)C[C@H](C)NC(=O)c1cc(C#N)[nH]c1C 449970038 UGRGOUZJFUTEEU-ZJUUUORDSA-N 247.342 2.749 30 20 BFED CCN(CC#N)Cc1ccc(Cl)c(OC)c1 450339215 PAXKKPJHOUPTHI-UHFFFAOYSA-N 238.718 2.694 30 20 BFED C=CC1CCN(CCCC(=O)CC)CC1 450384620 BUYJAXWUDSXGQB-UHFFFAOYSA-N 209.333 2.644 30 20 BFED C=C[C@@H]1CCCCN1C[C@H]1C[C@H]2CC[C@H]1O2 450887019 XQXGOABVEHDMDL-AAVRWANBSA-N 221.344 2.594 30 20 BFED C=CCC[C@H](O)CN1[C@@H](C)CCC1(C)C 452002520 DVSXXCFJYXWCGO-RYUDHWBXSA-N 211.349 2.576 30 20 BFED C=C(C)CCN[C@@H](C)c1cnc(C)nc1C 453327458 VWJASCYFRMNNEC-JTQLQIEISA-N 219.332 2.710 30 20 BFED C=CCN(C(=O)C1=CC[C@H](C)CC1)C1CC1 455988001 DDZFGCWEIUFWIZ-NSHDSACASA-N 219.328 2.910 30 20 BFED C=C(C)CCNC(=O)[C@]1(C)CCC[C@H]1C 456118924 IXOWCKKUBCEREE-DGCLKSJQSA-N 209.333 2.895 30 20 BFED C=CC(C)(C)CNC(=O)N1CC(C2CCC2)C1 458990700 SDCZEACLRBWBLV-UHFFFAOYSA-N 236.359 2.640 30 20 BFED C=C(C)CCNC(=O)N1[C@@H](CC)CC[C@H]1C 459003125 OLTDJIXXJKYNNH-NEPJUHHUSA-N 224.348 2.925 30 20 BFED CC(C)(CC#N)CNC(=O)Nc1ccsc1 459438165 SWIJLUFJUHVXMD-UHFFFAOYSA-N 237.328 2.809 30 20 BFED C[C@H](SCc1cccc(F)c1C#N)[C@@H](C)O 488265259 PTHZWTRZDADOAZ-BDAKNGLRSA-N 239.315 2.700 30 20 BFED CC[C@H](c1ccccc1OC)N(C)C(=O)CC#N 490939351 FUSRGNXYGLVDJQ-GFCCVEGCSA-N 246.310 2.518 30 20 BFED C#C[C@@H](C)N(C)C(=O)c1ccc(Cl)cc1C 491741744 RTUCZDJLEVHOCN-SNVBAGLBSA-N 235.714 2.742 30 20 BFED C#CCN(C(=O)[C@@H]1CCC[C@H]1CCC)C1CC1 491774740 AUVHBSJZYNEYFO-TZMCWYRMSA-N 233.355 2.827 30 20 BFED C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCC1(C)C 512386594 HLXBBHJKMGINEL-VXGBXAGGSA-N 236.359 2.925 30 20 BFED C=CC(C)(C)CCN[C@H]1CCN(C)C[C@H]1C 527927056 QYVMUGHDMGGTQL-OLZOCXBDSA-N 224.392 2.519 30 20 BFED C=CCCCC(=O)Nc1nc2c(s1)CCC2 531359618 AYKLBGYEDIPCAX-UHFFFAOYSA-N 236.340 2.927 30 20 BFED N#CC1(CN(C2CCCC2)C2CC2)CC1 540548728 GZXAPCNHYUODJV-UHFFFAOYSA-N 204.317 2.697 30 20 BFED CC#CCCNC(=O)C(C)(C)C1CCCC1 543605325 NGVAPPRRKFOGJP-UHFFFAOYSA-N 221.344 2.732 30 20 BFED CC#CCCNC(=O)[C@@H](C)Cc1ccc(C)cc1 544583412 WGIMZQIILHBGQU-AWEZNQCLSA-N 243.350 2.703 30 20 BFED C=C1CCN(C(=O)c2ccc(C)cc2OC)CC1 548364058 BGTUEYYDFRSVMK-UHFFFAOYSA-N 245.322 2.796 30 20 BFED C[C@H]1C[C@@H]1CC(=O)N1CCC(CCC#N)CC1 565545595 QQUYEDNZZAJCPA-WCQYABFASA-N 234.343 2.575 30 20 BFED CC(C)O[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 566852424 DPUOHVLQCYCEFO-OAHLLOKOSA-N 244.338 2.558 30 20 BFED C=C(C)CCNc1cc(C(C)C)nc2ncnn12 570668591 WUOPWWUXYAWYNO-UHFFFAOYSA-N 245.330 2.626 30 20 BFED C=C(CC)CNC(=O)[C@H]1CCc2ccccc2C1 571765506 ALBOOUJVOPPNTC-HNNXBMFYSA-N 243.350 2.874 30 20 BFED C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC[C@@H](F)C1 578238551 DVVSXZVEFPNPQG-QJPTWQEYSA-N 227.323 2.986 30 20 BFED C[C@H](C#N)N(C(=O)[C@H]1CCC(C)(C)C1)C1CC1 598134379 WPAJXSNESDZVHC-MNOVXSKESA-N 234.343 2.716 30 20 BFED CC(C)CC[C@H](C)NC[C@H](O)CC(C)(C)C#N 598705066 XWPVLMYJPUNQOX-QWHCGFSZSA-N 240.391 2.701 30 20 BFED C[C@H](C#N)CNC(=O)CC(C1CCC1)C1CCC1 599428085 GRDIYYHCSQKOQE-LLVKDONJSA-N 248.370 2.869 30 20 BFED CC[C@](C)(C#N)C(=O)N1CC(c2ccccc2)C1 601699087 BDDJSSYLGAIMHR-OAHLLOKOSA-N 242.322 2.552 30 20 BFED C[C@H](CCC#N)CNCC1(C(F)F)CC1 602644533 SVCRKRCRKFUXCQ-SECBINFHSA-N 216.275 2.561 30 20 BFED Cn1ccnc1S[C@H](C#N)Cc1ccccc1 603961647 RBRKIFJCQWLZRQ-LBPRGKRZSA-N 243.335 2.647 30 20 BFED CC(C)N(CCC#N)C(=O)[C@@H](C)c1ccco1 610196659 TXKPFPDJTZDXIJ-NSHDSACASA-N 234.299 2.534 30 20 BFED CC1(C)CCC[C@@H](NC2CCN(CC#N)CC2)C1 610860037 DPTDGXCQQBAAHW-CQSZACIVSA-N 249.402 2.533 30 20 BFED C[C@@]1(C#N)CCCN(C(=O)CC2CCCC2)C1 612236609 IVAGKFBHCPUQOE-AWEZNQCLSA-N 234.343 2.719 30 20 BFED C=CCN(C(=O)[C@@H](C)C(F)(F)F)C(C)(C)C 622944599 YUFIZKXKROUPPN-MRVPVSSYSA-N 237.265 2.998 30 20 BFED C=C[C@](C)(CC)C(=O)NC[C@@H](CCC)OCC 628343483 HBTXIXSVWXIMPO-TZMCWYRMSA-N 241.375 2.910 30 20 BFED C=CCC[C@@H](CC)N[C@@H](CCC)CCO 631666805 IESVDPTZEOXXRH-OLZOCXBDSA-N 213.365 2.872 30 20 BFED CCC#C[C@H](C)Sc1nc2c([nH]1)CCC2 644111432 PCXVBYQWCODXAK-VIFPVBQESA-N 220.341 2.792 30 20 BFED C=C(C)CNC(=O)N(C)CCC(C)(C)C 645332216 GCZOUFPXYAFTOL-UHFFFAOYSA-N 212.337 2.640 30 20 BFED C=C[C@H](C)NCc1cc(COC)cs1 657393449 UAYBWABTKAPOJX-VIFPVBQESA-N 211.330 2.559 30 20 BFED C=C(C)CCNC1CCC(OCC)CC1 658027078 JLIRBMGLZUSWGR-UHFFFAOYSA-N 211.349 2.890 30 20 BFED C=CCCN[C@@H](C)c1ccc(OCCOC)cc1 658116983 PNGNJONAEYSHKJ-ZDUSSCGKSA-N 249.354 2.939 30 20 BFED C=CCN(Cc1cc(C)nc(C)n1)C(C)(C)C 661757955 MLSXFZUISAEKJJ-UHFFFAOYSA-N 233.359 2.880 30 20 BFED C=CCN(CC=C)C(=O)NCC[C@H](C)CC 665976087 ZMZRVVRDRVAKCU-GFCCVEGCSA-N 224.348 2.806 30 20 BFED C=CCN(CC=C)C(=O)C(C)(C)c1ccccn1 670411758 RUPKJARQCGZQRX-UHFFFAOYSA-N 244.338 2.560 30 20 BFED C=C(C)CN(CC)C(=O)C(C)(C)c1ccccn1 670413842 CFESAOQQDALBHO-UHFFFAOYSA-N 246.354 2.784 30 20 BFED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC(F)(F)C1 682360737 QGYLWDKDWLYFEV-KOLCDFICSA-N 231.286 2.893 30 20 BFED C#C[C@H](NCc1cc(C)ccc1O)C(C)(C)C 702282214 RRQOKJCIZDZGRL-AWEZNQCLSA-N 231.339 2.838 30 20 BFED CCCCCCCC(=O)NC[C@@]1(C)CCOC1 733113279 FKYVZPRQLOCHEG-CQSZACIVSA-N 241.375 2.890 30 20 BFED C=C(C)CNC(=S)NCCc1ccc(C)cc1 734762989 LCZZMDBOIPHGKH-UHFFFAOYSA-N 248.395 2.578 30 20 BFED CC(CCc1ccccc1)=NNc1cccnn1 735977112 ULZMESZTJUCVCO-UHFFFAOYSA-N 240.310 2.897 30 20 BFED C#CCCCNCc1nccc2ccccc12 742383305 YPELAMMVKCOFOU-UHFFFAOYSA-N 224.307 2.738 30 20 BFED CC(C)Cc1ccc(CC(=O)O[C@H](C)C#N)cc1 749951213 MRRHJAJNTHVJQG-GFCCVEGCSA-N 245.322 2.883 30 20 BFED CCCC(C)=NNc1nc(-c2ccncc2)no1 750948918 OXYYFMYJIYGLNI-UHFFFAOYSA-N 245.286 2.720 30 20 BFED C=CC[C@@H](NC(=O)NC(C)(C)C)c1ccncc1 757702100 LTMSUVXEZDWCMS-GFCCVEGCSA-N 247.342 2.797 30 20 BFED Cc1c(NN=C[C@@H]2C[C@@H]2C)cccc1[N+](=O)[O-] 758369019 DCRYOHKRIHADOZ-WPRPVWTQSA-N 233.271 2.957 30 20 BFED N#CCc1ccc(C(=O)OCC2CCC2)cc1 758680222 UMRXPJOLCDFXRW-UHFFFAOYSA-N 229.279 2.710 30 20 BFED C[C@@H](/N=C/c1ccccc1O)c1ccc[nH]1 760229052 NRXLXCRLPXEJKH-KXUVPBGPSA-N 214.268 2.900 30 20 BFED CCc1ccc(C(C)=NNc2cnn(C)c2)s1 761867005 VISGYZLVIMTXNQ-UHFFFAOYSA-N 248.355 2.880 30 20 BFED C#CCN(C(=O)C[C@@H]1CCCC[C@H]1C)C1CC1 763801193 LEEPTTIFVSZDNX-OLZOCXBDSA-N 233.355 2.827 30 20 BFED CC(=NOCC(C)C)c1cncc(C)c1 767386078 AJXRPIFJALWNLG-UHFFFAOYSA-N 206.289 2.787 30 20 BFED N#CC1(COC(=O)C2(C#N)CCCCC2)CCC1 768097518 ZASLSBBXOFIJJZ-UHFFFAOYSA-N 246.310 2.698 30 20 BFED Cc1nnc(C)n1N=C[C@H]1CCC[C@H](C)C1 768355920 VTFCQRPKNXTHPG-CABZTGNLSA-N 220.320 2.555 30 20 BFED Cc1cc(C(=O)OCCCCC(C)(C)C#N)n[nH]1 768625937 CTZHHMQRYXJNAY-UHFFFAOYSA-N 249.314 2.595 30 20 BFED C[C@H](CC=NN1CCCC1=O)c1ccccc1 769588386 FSKUZZQYCLCIGX-GFCCVEGCSA-N 230.311 2.788 30 20 BFED C#C[C@H](C)N(C)Cc1cc(C)cc(C)c1 769953390 KFMHGMFWQMIGIR-ZDUSSCGKSA-N 201.313 2.757 30 20 BFED C[C@@H](C#N)CNN=C1CCC(C)(C)C[C@H]1C 771112402 NIKOWBFSODBTSA-WDEREUQCSA-N 221.348 2.938 30 20 BFED C=Cn1cc(C=NOCc2ccccc2)cn1 773032986 ACCILXBRLUOXDO-UHFFFAOYSA-N 227.267 2.534 30 20 BFED C#C[C@H](N[C@H](CC)[C@@H](C)CCC)[C@@H]1CCCO1 775575278 VOUHOEOUEZIZSX-XGUBFFRZSA-N 237.387 2.972 30 20 BFED CC(C)(C#N)CCOC(=O)C1(C)CCC1 776393879 LJJOWFIDCYERFY-UHFFFAOYSA-N 209.289 2.660 30 20 BFED CC#CCCOc1ccc(C)nc1Cl 777554217 GHRATCRMXRUQCF-UHFFFAOYSA-N 209.676 2.836 30 20 BFED C=C(C)CN(C)C(=O)/C=C1/CC[C@H](C)C1 778126170 KWKMYODUEVZBMF-LCFDYFRESA-N 207.317 2.767 30 20 BFED C=C(C)CN(C)Cc1ccc(CN(C)C)cc1 779145549 WYAIWMBPAZODTG-UHFFFAOYSA-N 232.371 2.756 30 20 BFED CCC1(C=NOCc2cccnc2)CCOCC1 781128157 ONFBWYBVTHVWSF-UHFFFAOYSA-N 248.326 2.791 30 20 BFED Cc1ccc(OCCN(C)CC(C)(C)C#N)cc1 782175823 SOZOEPAROOYCQB-UHFFFAOYSA-N 246.354 2.855 30 20 BFED C#CCCCCC(=O)N1CCCC[C@@H]1C=C 785857280 MQTQBRHOXFUPSE-ZDUSSCGKSA-N 219.328 2.747 30 20 BFED Fc1ccc2c(c1)C(=NOC[C@H]1CCOC1)CC2 788029083 CSVGZVHTTCKBAS-JTQLQIEISA-N 249.285 2.529 30 20 BFED CC1CCC(=NN[C@H](CO)c2ccccc2)CC1 788467288 AFVBFLMPHMAQJI-WPZCJLIBSA-N 246.354 2.876 30 20 BFED C[C@@H](C#N)OC(=O)Cc1cccc(C(F)F)c1 790701612 LTVJKWGDZGIQIV-QMMMGPOBSA-N 239.221 2.622 30 20 BFED CC(=NN=C[C@@]1(C)CCCS1)c1cnccn1 793028260 VMWVVGGVVYGZOX-GFCCVEGCSA-N 248.355 2.557 30 20 BFED C=C(C)CCOC(=O)c1ccnc(C)c1 793159125 CHIYQEWEIZUOQV-UHFFFAOYSA-N 205.257 2.513 30 20 BFED CCC(COC)=NNc1cccc(Cl)n1 793174892 NRDITKDVLOTFMU-UHFFFAOYSA-N 227.695 2.559 30 20 BFED C[C@H]1CSCC1=NNc1nc2ccccc2[nH]1 794860714 XBFISASYKXXXLB-QMMMGPOBSA-N 246.339 2.714 30 20 BFED CCOCCON=C1CCC[C@H]1c1ccccn1 794930039 BAOYQTASKGXKNC-LBPRGKRZSA-N 248.326 2.758 30 20 BFED COCCN(C)N=C(CC(C)(C)C)C1CC1 794971887 UYGYDMIEZFZYAY-UHFFFAOYSA-N 226.364 2.767 30 20 BFED C=CCC1(C(=O)OCC(=O)C2(C)CC2)CCC1 795623533 VALNDZQAWXGJFM-UHFFFAOYSA-N 236.311 2.645 30 20 BFED C=CCOCCOC(=O)[C@H](C)c1cccc(C)c1 797297112 NSLAGYZLDWSBRC-CYBMUJFWSA-N 248.322 2.844 30 20 BFED CC[C@H]1CC[C@H](C)CC1=NN1CCOCC1 797398287 QSCJAPSLHVGCHW-RYUDHWBXSA-N 224.348 2.521 30 20 BFED CC(C)CCC(=NN[C@H]1CCCOC1)C1CC1 802712642 SFSBNGIQEXDNOY-ZDUSSCGKSA-N 238.375 2.957 30 20 BFED N#CCCCCCC(=O)OCCCCC#N 805697599 BCUBEBWTRURPFD-UHFFFAOYSA-N 222.288 2.698 30 20 BFED C=CCCCCCCNC(=O)N(C)C1CC1 807569326 DWNSACMBQPIMFZ-UHFFFAOYSA-N 224.348 2.927 30 20 BFED Cc1cccc2c1CCC2=NN[C@H]1CCSC1 808003751 UZGSJIWVNBXTMW-NSHDSACASA-N 246.379 2.740 30 20 BFED Cc1cccc(C(=O)/C=C\c2cnccn2)c1C 809154047 LXMFETOROYNHMD-SREVYHEPSA-N 238.290 2.990 30 20 BFED C#Cc1ccc(CN2CCC(C)CC2)cc1 809539115 YUAFXPXJCSFBJK-UHFFFAOYSA-N 213.324 2.900 30 20 BFED Cl/C=C\CON=C1CCC12CCOCC2 811672414 YHKWCVCULIQFBZ-LWAPHQOESA-N 229.707 2.702 30 20 BFED C#C[C@H](C)N(C)C(=O)NC[C@H](CC)CCCC 811990598 ZXLAUPHQCYVCSW-QWHCGFSZSA-N 238.375 2.866 30 20 BFED C#CCON=C(C)c1ccc(N(C)CC)cc1 812234061 NVOFDMOEBVTFGC-UHFFFAOYSA-N 230.311 2.517 30 20 BFED C=C[C@](C)(CC)C(=O)OCCC1CCOCC1 814466315 SEUQLCGDJMDFJD-CQSZACIVSA-N 240.343 2.949 30 20 BFED O=C(O)c1ccc(NN=C2CC3(CC3)C2)cc1 814680956 QCOVTNGPFAOUGQ-UHFFFAOYSA-N 230.267 2.727 30 20 BFED c1ncc(NN=C2CCCc3sccc32)cn1 814926646 CWCSEVCSMLDALY-UHFFFAOYSA-N 244.323 2.691 30 20 BFED CC#CCN(C)C(=O)/C=C\c1ccc(Cl)cc1 819249457 ORNWDVMJPOEAQU-YFHOEESVSA-N 247.725 2.835 30 20 BFED CC/C(C)=C(\C)C(=O)N[C@@H]1CC[C@H](C#N)C1 819633285 DPCJVOMPKBHULI-NYXKHXTOSA-N 220.316 2.541 30 20 BFED C=C[C@H](CC)CC(=O)NCc1ccnc(C)c1 821066705 BRDDGEBDCPNWLR-GFCCVEGCSA-N 232.327 2.609 30 20 BFED CC(C)C#CC(=O)Nc1cccc(F)c1F 824255990 CPQAHGLKOCEKRU-UHFFFAOYSA-N 223.222 2.563 30 20 BFED C[C@]1(CN[C@@H]2CC[C@H](C#N)C2)CC1(Cl)Cl 824774610 UDNXTJYXQVWJCD-IVZWLZJFSA-N 247.169 2.852 30 20 BFED C#Cc1cccc(CNC(CC)CC)c1 825226911 OOWSFHSDLJFDCV-UHFFFAOYSA-N 201.313 2.946 30 20 BFED C=C[C@H](O)C(=O)N[C@@H](CCCCC)C(C)(C)C 827903237 GOFCXUPVUFAOAB-RYUDHWBXSA-N 241.375 2.645 30 20 BFED CC[C@@H](CC#N)NC(=O)c1ccc(CF)cc1 832207883 WHXABOHHSFRGGQ-LBPRGKRZSA-N 234.274 2.578 30 20 BFED C[C@H]1CC(=NNc2ccc(Cl)nc2)[C@H](C)O1 834960692 ZIFCOWCWOWGCSC-YUMQZZPRSA-N 239.706 2.700 30 20 BFED CO[C@@H]1CC(=NNC2CCCCC2)C12CCC2 834971962 IQBLPBAHCRMLFO-CYBMUJFWSA-N 236.359 2.854 30 20 BFED CCOc1ccc(C=NOC(C)C)c(O)c1 835004613 ZDUNWJPKHDNSPR-UHFFFAOYSA-N 223.272 2.550 30 20 BFED C=CCC1(C(=O)OC2CCOCC2)CCCC1 835255962 MRLGJMBECKINSE-UHFFFAOYSA-N 238.327 2.845 30 20 BFED CC[C@H]1CCC[C@H]1C(=O)OCC1(C#N)CC1 835414543 FPZAUTKDUJSBCI-WDEREUQCSA-N 221.300 2.660 30 20 BFED O=C(C#CC1CC1)Nc1ccccc1Cl 837306257 ZREBJULVBXQRSP-UHFFFAOYSA-N 219.671 2.692 30 20 BFED CC(C)(C)C#CC(=O)Nc1ccc(F)c(C#N)c1 837391110 NIJYLVOTTNMOIQ-UHFFFAOYSA-N 244.269 2.685 30 20 BFED C=C[C@@](C)(CC)C(=O)OCC1(C#N)CCC1 837659641 WUNFOQXNQNRHQJ-LBPRGKRZSA-N 221.300 2.826 30 20 BFED C#CCC[C@@H](C)OC(=O)C[C@@H](C)c1ccncc1 839036698 GRLYTFZHMMOBGB-CHWSQXEVSA-N 245.322 2.920 30 20 BFED C#CCC[C@@H](C)OC(=O)/C=C/c1cncc(F)c1 839038783 ZJTPIZGYBGEZBI-XUIVZRPNSA-N 247.269 2.579 30 20 BFED Cc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cn1 839042077 CTDCLRGNMJAURT-DGCLKSJQSA-N 244.294 2.629 30 20 BFED C[C@@H]1CC(=NNc2nccc3sccc23)CO1 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2.863 30 20 BFED C=CCCN(C)C(=O)Cc1c(F)cccc1F 341980190 GVMFEKCCCAQKQB-UHFFFAOYSA-N 239.265 2.542 30 20 BFED C=CCCN(C)C(=O)c1cncc(OC(C)C)c1 342558275 LTVNYQCMIWSIAS-UHFFFAOYSA-N 248.326 2.517 30 20 BFED CCC[C@@H](NC(=O)[C@@H](C)C#N)c1ccccc1 347046219 JLTIAEBJRTYFNB-WCQYABFASA-N 230.311 2.804 30 20 BFED C=C(C)CCc1noc([C@H]2CCC[C@@H](O)C2)n1 347213850 KQBHPHJQPCOBRO-WDEREUQCSA-N 236.315 2.597 30 20 BFED N#CCCN(CCCc1ccncc1)CC1CC1 347295868 IRIRDAWKTBIYRA-UHFFFAOYSA-N 243.354 2.640 30 20 BFED C=CCCCCNC(=O)NC(CC)CC 351683801 FCUPHEJGDVPFGQ-UHFFFAOYSA-N 212.337 2.831 30 20 BFED Cc1cc(CN(CC#N)C2CC2)ccc1F 352740705 ZHKANWSKLUERPM-UHFFFAOYSA-N 218.275 2.622 30 20 BFED CC[C@@H]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)C#N 355039929 POQACZJATROQMU-UPJWGTAASA-N 236.359 2.821 30 20 BFED C=CCCC[C@H](C)NC(=O)[C@@H](OC)[C@H](C)CC 356635352 RUGFPTNOVACOCT-AGIUHOORSA-N 241.375 2.909 30 20 BFED C=CCCC1(C(=O)N[C@@H]2[C@H]3CCC[C@H]32)CC1 357136748 ZZDOTPMTXLAVNF-GDNZZTSVSA-N 219.328 2.648 30 20 BFED 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237.306 2.739 30 20 BFED C[C@@H](C(=O)N(CCC#N)CC1CC1)C1CCCC1 610521235 KBLVNLYQEAIAPF-GFCCVEGCSA-N 248.370 2.965 30 20 BFED C[C@H](CC#N)NCc1cccc(OC(C)(C)C)n1 611247346 VMEIIOSARACQFZ-LLVKDONJSA-N 247.342 2.651 30 20 BFED CS[C@H](C)CCC(=O)N[C@@H](C#N)CC(C)C 611341451 BQWYRXJSOUVPCI-GHMZBOCLSA-N 242.388 2.573 30 20 BFED Cc1ccc(NCC(C)(C)C#N)c([N+](=O)[O-])c1 611617833 FBKIVDXSSNHKAY-UHFFFAOYSA-N 233.271 2.865 30 20 BFED C=CCCC[C@@H](C)NC(=O)c1ncccc1F 613273082 QZSYYHAVHSVITN-SNVBAGLBSA-N 236.290 2.695 30 20 BFED Cc1ccnc(COc2ccccc2C#N)c1 616200591 VZARELKLXVVJES-UHFFFAOYSA-N 224.263 2.841 30 20 BFED Cc1cnc(N2CCC[C@](C)(C#N)C2)s1 618161080 OHSRQFICWUYVKS-LLVKDONJSA-N 221.329 2.582 30 20 BFED N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCSC1 618805110 CYAOZHLWFZTERZ-GXTWGEPZSA-N 244.363 2.641 30 20 BFED C=C[C@@H](Nc1ccc(C)cc1OCC)C(=O)OC 619734813 SKMLNFYCNMLLGE-LLVKDONJSA-N 249.310 2.533 30 20 BFED C=C[C@@H](C)NC(=O)CCc1cccc(OCC)c1 626066293 CYJWGLINDGSCIU-GFCCVEGCSA-N 247.338 2.709 30 20 BFED C=C(C)CN(C)C(=O)c1coc(SC)c1 632323640 DBGHIMWVPWKAOS-UHFFFAOYSA-N 225.313 2.650 30 20 BFED C=CC[C@@H](CO)CN[C@H]1[C@@H]2CCC[C@@H]2C1(C)C 657936632 HBIFMESNLZNPIJ-MQYQWHSLSA-N 237.387 2.585 30 20 BFED C=CCN(Cc1cccc(OC)n1)C(C)(C)C 661756278 ILFICHPAAIUINQ-UHFFFAOYSA-N 234.343 2.877 30 20 BFED C=C(C)[C@@H](Cc1nc(C2CCC2)no1)OCC 680693180 CQINIZNTJWGDRN-LLVKDONJSA-N 236.315 2.861 30 20 BFED C=C1CCN(Cc2ccc(O)cc2)CC1 682405201 SBEUZWQTMHQRST-UHFFFAOYSA-N 203.285 2.544 30 20 BFED C=CCSCCN[C@@H](C)C1(Cl)CC1 695668479 RHOYMFSQJOGMDQ-VIFPVBQESA-N 219.781 2.655 30 20 BFED N#Cc1ccc(N[C@@H]2C=CCC2)c([N+](=O)[O-])c1 698277230 IYSLDHZJZJIIAR-SNVBAGLBSA-N 229.239 2.597 30 20 BFED CCCCCCCNc1cc(F)ncn1 703787513 LIJIDGUPMNGTKG-UHFFFAOYSA-N 211.284 2.998 30 20 BFED C#Cc1ccc(C(=O)N[C@H](C)CCC(C)C)nc1 728798773 FAGKLEMSTUYNBA-GFCCVEGCSA-N 244.338 2.617 30 20 BFED C=CCN(CC(=O)OCc1ccccc1)C(C)C 731030087 CCADZCTWOYQGOY-UHFFFAOYSA-N 247.338 2.626 30 20 BFED C#CC(C)(C)NC(=O)c1cc2cccc(F)c2o1 742075581 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240.416 2.995 30 20 BFED C=CCCCCC[C@H](C)N[C@H](CC)C(=O)O 840996387 LDOAZHFXTYSFSN-NWDGAFQWSA-N 227.348 2.964 30 20 BFED CCN(CCO)N=C1CCCC[C@H]1C(C)C 842538163 ILKRSUYGHFJYOA-LBPRGKRZSA-N 226.364 2.503 30 20 BFED C=C[C@@H](C)ON=C1CCCc2ccc(N)cc21 844620242 ISIUIESDFCAYMU-SNVBAGLBSA-N 230.311 2.900 30 20 BFED C=C[C@H](C)ON=C1CCO[C@H](C(C)C)C1 844622019 SALNOVHDWFZFBR-JQWIXIFHSA-N 211.305 2.769 30 20 BFED C=C[C@@H](C)ON=C(C)c1ccc([N+](=O)[O-])cc1 844624032 SMHNFGZWCYCJHJ-SECBINFHSA-N 234.255 2.910 30 20 BFED C#CCC(C)(C)C(=O)OCc1cc(C2CC2)no1 849757854 OJASZCFWZXPVEK-UHFFFAOYSA-N 247.294 2.645 30 20 BFED C#CCOC(=O)[C@@]1(c2ccccc2)CC1(C)C 850291033 AUUSCXJGEDEFIO-HNNXBMFYSA-N 228.291 2.531 30 20 BFED C=CC(C)(C)CCOC(=O)[C@@H]1CO[C@@H](C)C1 851300014 IUXWZBKWISFWIZ-QWRGUYRKSA-N 226.316 2.557 30 20 BFED C#CCOCCN1CCC[C@@H]1c1ccccc1C 851731383 OHUXZAURIMJJAZ-MRXNPFEDSA-N 243.350 2.782 30 20 BFED C#CCOCCN1CCCC[C@@H]1[C@H](C)CC 851781150 OMSWLCBPUICHII-ZIAGYGMSSA-N 223.360 2.537 30 20 BFED CCN(Cc1ccc(CF)cc1)[C@@H](C)C#N 852646633 RFNFBCUIURJSQT-NSHDSACASA-N 220.291 2.890 30 20 BFED CCOc1cccc(C=NN2CCCC[C@H]2C)n1 853378876 DSSQBWWZBUQXTH-GFCCVEGCSA-N 247.342 2.689 30 20 BFED N#Cc1ccc(C=NOCC2CCC2)cc1 853440213 XZZVDVFKCPYWHU-UHFFFAOYSA-N 214.268 2.709 30 20 BFED COc1ccc(C(N)=NOCC2(C)CCC2)cc1 853655634 ZKINUPHFSWUZAP-UHFFFAOYSA-N 248.326 2.522 30 20 BFED O=C(C#CC1CC1)N1CC[C@@H]1c1ccc(F)cc1 855565849 YUHVMRGWBLVKBS-CQSZACIVSA-N 243.281 2.513 30 20 BFED C#CCO[C@H](C)c1nc([C@@H](C)c2ccco2)no1 857089021 ZKMJOXFZMNHVEH-VHSXEESVSA-N 246.266 2.525 30 20 BFED C#CCCOc1ccc(CN2C[C@@H]3C[C@H]3C2)cc1 862441702 ULKXHPSRGLXLCX-GJZGRUSLSA-N 241.334 2.540 30 20 BFED CC#CCCNC(=O)/C=C/CCc1ccccc1 867260743 BNTWQCQOHUIDBG-MDWZMJQESA-N 241.334 2.705 30 20 BFED C=C[C@@H](C)ONC(=O)c1cc(F)ccc1CC 869154242 PJINYJHWVQGCPI-SECBINFHSA-N 237.274 2.624 30 20 BFED C#CCCCCCCNc1cn(C)nc1CC 877132048 SBVYWISORPFMMA-UHFFFAOYSA-N 233.359 2.978 30 20 BFED C=CC(C)(C)CC(=O)N(C)CCCOC(C)C 878927774 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20 BFED C=CC[C@H](CC)NC(=O)c1c[nH]cc1C1CC1 907961599 CPORIIPYWPBSBN-NSHDSACASA-N 232.327 2.977 30 20 BFED CC(C)(C)C#CC(=O)N(CC(F)(F)F)C1CC1 908268912 QHVXANCUDWNROV-UHFFFAOYSA-N 247.260 2.589 30 20 BFED C=C[C@H](CC)CC(=O)OC[C@H]1CCC[C@@H](O)C1 909524866 KGZLKTTYHLGELX-FRRDWIJNSA-N 240.343 2.683 30 20 BFED N#Cc1cc(=NC2(Cc3ccccc3)CC2)cc[nH]1 912159399 BSJQTNWWVSFZDK-UHFFFAOYSA-N 249.317 2.562 30 20 BFED CC[C@@H]1C[C@H]1COC(=O)[C@](C)(C#N)CC 922723028 YASYARQJTIGYMZ-SCVCMEIPSA-N 209.289 2.516 30 20 BFED N#C[C@@H]1CCCN(C[C@H]2CCc3ccccc32)C1 932154665 XPSRAVPMTJNJOA-DZGCQCFKSA-N 240.350 2.952 30 20 BFED C(=NOCC1CCC1)c1cccc2c[nH]nc12 1261653374 JAQDLWYMLBSVMT-UHFFFAOYSA-N 229.283 2.714 30 20 BFED C#CCCCOC(=O)C1(Oc2ccccc2)CC1 1263294969 LXVOQVDPQSVPGS-UHFFFAOYSA-N 244.290 2.555 30 20 BFED C[C@@H]1CCCC(=NNCC2CCOCC2)[C@@H]1C 1320070593 KKVDQJAIQCHLBN-VXGBXAGGSA-N 238.375 2.815 30 20 BFED C=C[C@H](COC)NCc1cccc2cccnc12 1320426582 ODZFZECHLGDNGQ-CQSZACIVSA-N 242.322 2.525 30 20 BFED 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